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Histone H2A type 2-B

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 , UniProt , Accession Q8IUE6, Species HUMAN (Homo sapiens, Human), Gene H2AC21, 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
1M54Low61Low251 Ų251145.4 Ų145.4100%1.23686%0.859SS**  01440-85.8-176.3166.200109.5
2S58.8Low62.4Low113 Ų113153.4 Ų153.479%0.7986%0.863SS**  trans-51.2136.8-156.859.40000118R4S2-R4 PolarHBondContact O-N 2.95Å; S2-R4 VanDerWaalsContact O-N 3.13Å
3G57.9Low63.9Low84 Ų84148.5 Ų148.587%0.86685%0.853SS**  trans-59.2109.1165.700000111.2G5G3-G5 PolarHBondContact O-N 3.25Å
4R63.3Low65.4Low248 Ų248152.4 Ų152.494%0.93686%0.855SS**  trans-77.2106.9178.2-161.4149.5176.8150.9-4.5108.2S2 K6S2-R4 PolarHBondContact O-N 2.95Å; S2-R4 VanDerWaalsContact O-N 3.13Å; R4-K6 PolarHBondContact O-N 2.95Å
5G59.7Low67Low61 Ų61148.5 Ų148.563%0.62985%0.85SS**  trans-49.3131.5-177.100000112.5G3 Q7G3-G5 PolarHBondContact O-N 3.25Å; G5-Q7 PolarHBondContact O-N 3.05Å
6K58.2Low68.6Low211 Ų211148.9 Ų148.992%0.91784%0.839SS**  trans-62.983170.9-166.9178-173.8-1800107.7R4 G8R4-K6 PolarHBondContact O-N 2.95Å; K6-G8 PolarHBondContact O-N 2.82Å; K6-G8 VanDerWaalsContact O-N 3.15Å
7Q56.7Low70.2Confident184 Ų184143.9 Ų143.986%0.8682%0.816SS**  trans-50.4122.8174.1-82.7178.8-11.500107.9G5 G9G5-Q7 PolarHBondContact O-N 3.05Å; Q7-G9 PolarHBondContact O-N 3.02Å
8G55.3Low71.6Confident73 Ų73141.4 Ų141.475%0.75379%0.791SS**  trans-44.9107.7-177.800000110K6 K10K6-G8 PolarHBondContact O-N 2.82Å; K6-G8 VanDerWaalsContact O-N 3.15Å; G8-K10 PolarHBondContact O-N 3.39Å
9G62.7Low73Confident73 Ų73134.8 Ų134.875%0.75376%0.756SS**  trans-61.6109.7-177.700000107.8Q7 A11Q7-G9 PolarHBondContact O-N 3.02Å; G9-A11 PolarHBondContact O-N 2.98Å; G9-A11 VanDerWaalsContact O-N 3.13Å
10K69.3Low74.2Confident200 Ų200131.5 Ų131.587%0.8774%0.742SS**  trans-43.2125.6167.5-71-179.8177.9178.30107.1G8 R12G8-K10 PolarHBondContact O-N 3.39Å; K10-R12 PolarHBondContact O-N 3.35Å
11A75.3Confident75.3Confident101 Ų101133.9 Ų133.984%0.83574%0.739SS**  trans-49.1109.6-17900000108.3G9 A13G9-A11 PolarHBondContact O-N 2.98Å; G9-A11 VanDerWaalsContact O-N 3.13Å; A11-A13 PolarHBondContact O-N 3.45Å; A11-A13 VanDerWaalsContact O-N 3.1Å
12R77.4Confident77.4Confident242 Ų242124 Ų12491%0.91370%0.697SS**PPolyproline II helixtrans-60.2121.2-174.9-172.6177.1-178.9178.71.6106.9K10 K14K10-R12 PolarHBondContact O-N 3.35Å; R12-K14 PolarHBondContact O-N 3.12Å
13A82Confident79.2Confident89 Ų89121.6 Ų121.674%0.73669%0.69SS**PPolyproline II helixtrans-51.3132.417700000109.3A11 A15A11-A13 PolarHBondContact O-N 3.45Å; A11-A13 VanDerWaalsContact O-N 3.1Å; A13-A15 PolarHBondContact O-N 2.88Å
14K84.7Confident81.1Confident203 Ų203118.8 Ų118.888%0.88366%0.656SS**PPolyproline II helixtrans-54.4128.8-179.7-74.4-177.8179.9176.40108.9R12 K16R12-K14 PolarHBondContact O-N 3.12Å; K14-K16 PolarHBondContact O-N 3.28Å; K14-K16 VanDerWaalsContact O-N 3.15Å
15A89.3Confident82.8Confident94 Ų94115.1 Ų115.178%0.77765%0.649SS**PPolyproline II helixtrans-61.4120.3178.700000109.7A13 S17A13-A15 PolarHBondContact O-N 2.88Å; A15-S17 PolarHBondContact O-N 3.03Å
16K93.1Very high84.7Confident156 Ų156115 Ų11568%0.67863%0.632SS**PPolyproline II helixtrans-60.3127.8172.8-68.6-173.1179.8-176.60109.6K14 R21K14-K16 PolarHBondContact O-N 3.28Å; K14-K16 VanDerWaalsContact O-N 3.15Å; K16-R21 HydrophobicContact CB-CG 4.15Å; K16-R21 PolarHBondContact O-NE 3.06Å; K16-R21 VanDerWaalsContact O-NE 3.16Å; K16-R21 PolarHBondContact O-NH2 3.29Å
17S95.7Very high86.6Confident63 Ų63107 Ų10744%0.44160%0.601SS.*PPolyproline II helixtrans-64.5155.5177.775.80000111.2A15 S19 S20 R21A15-S17 PolarHBondContact O-N 3.03Å; S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.04Å; S17-S20 PolarHBondContact N-OG 3.14Å; S17-S20 PolarHBondContact O-N 2.86Å; S17-S20 PolarHBondContact O-OG 3.36Å; S17-S20 WeakPolarHBondContact OG-CB 3.37Å; S17-S20 PolarHBondContact OG-N 2.72Å; S17-S20 PolarHBondContact OG-OG 3.15Å; S17-R21 WeakPolarHBondContact O-CG 3.26Å; S17-R21 PolarHBondContact O-N 3.28Å
18R96.1Very high88.6Confident99 Ų9998.3 Ų98.337%0.37456%0.56SS.*Hα-helixtrans-59.4-37.7174.3-73.8-170-77.3162.4-4.2112.4R21 A22 V28 H32R18-R21 PolarHBondContact O-N 3.49Å; R18-A22 WeakPolarHBondContact O-CB 3.39Å; R18-A22 PolarHBondContact O-N 2.86Å; R18-V28 HydrophobicContact CB-CB 4.11Å; R18-V28 HydrophobicContact CB-CG1 3.87Å; R18-H32 PolarHBondContact NH1-ND1 2.85Å; R18-H32 PolarHBondContact NH2-ND1 3.23Å; R18-H32 VanDerWaalsContact NH2-ND1 3.17Å
19S98Very high90.6Very high17 Ų1796.4 Ų96.412%0.11954%0.541CS..Hα-helixtrans-59.7-50.7174-62.90000111.7S17 R21 A22 G23 L24 F26 P27 V28S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.04Å; S19-R21 PolarHBondContact O-N 3.34Å; S19-A22 CarbonylContact O-C 3.47Å; S19-A22 PolarHBondContact O-N 3.43Å; S19-G23 PolarHBondContact O-N 3.31Å; S19-L24 CarbonylContact C-O 3.5Å; S19-L24 WeakPolarHBondContact CB-O 3.49Å; S19-L24 PolarHBondContact O-N 3.1Å; S19-F26 WeakPolarHBondContact CB-O 3.29Å; S19-F26 PolarHBondContact OG-O 3.25Å; S19-P27 WeakPolarHBondContact OG-CA 3.35Å; S19-V28 PolarHBondContact OG-N 3.26Å
20S96.9Very high92.3Very high68 Ų68100 Ų10048%0.47653%0.531SS..Hα-helixtrans-63-27.6177.763.20000113.9S17S17-S20 PolarHBondContact N-OG 3.14Å; S17-S20 PolarHBondContact O-N 2.86Å; S17-S20 PolarHBondContact O-OG 3.36Å; S17-S20 WeakPolarHBondContact OG-CB 3.37Å; S17-S20 PolarHBondContact OG-N 2.72Å; S17-S20 PolarHBondContact OG-OG 3.15Å
21R96.7Very high93.7Very high181 Ų18191.3 Ų91.368%0.68350%0.495SS*.Hα-helixtrans-77.4-30.7174-67.4177-164.9-165.1-1.5112.3K16 S17 R18 S19K16-R21 HydrophobicContact CB-CG 4.15Å; K16-R21 PolarHBondContact O-NE 3.06Å; K16-R21 VanDerWaalsContact O-NE 3.16Å; K16-R21 PolarHBondContact O-NH2 3.29Å; S17-R21 WeakPolarHBondContact O-CG 3.26Å; S17-R21 PolarHBondContact O-N 3.28Å; R18-R21 PolarHBondContact O-N 3.49Å; S19-R21 PolarHBondContact O-N 3.34Å
22A97.4Very high94.8Very high43 Ų4388 Ų8836%0.35546%0.463SS..Hα-helixtrans-86-7.417800000113.3R18 S19 L24 V28 V50R18-A22 WeakPolarHBondContact O-CB 3.39Å; R18-A22 PolarHBondContact O-N 2.86Å; S19-A22 CarbonylContact O-C 3.47Å; S19-A22 PolarHBondContact O-N 3.43Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 HydrophobicContact CB-CD1 3.97Å; A22-L24 HydrophobicContact CB-CG 4.03Å; A22-V28 HydrophobicContact CB-CG2 4.47Å; A22-V50 HydrophobicContact CB-CG1 3.87Å
23G97.8Very high95.8Very high63 Ų6384.6 Ų84.665%0.64945%0.45SS*.THydrogen-bonded Turntrans73.222.5-175.600000114.1S19S19-G23 PolarHBondContact O-N 3.31Å
24L98.4Very high96.5Very high26 Ų2684.8 Ų84.814%0.13644%0.438CS..  trans-107.3140.2-175.7-62.4175.2000111S19 A22 V28 V50 A53 A54 E57S19-L24 CarbonylContact C-O 3.5Å; S19-L24 WeakPolarHBondContact CB-O 3.49Å; S19-L24 PolarHBondContact O-N 3.1Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 HydrophobicContact CB-CD1 3.97Å; A22-L24 HydrophobicContact CB-CG 4.03Å; L24-V28 HydrophobicContact CD1-CG2 3.8Å; L24-V50 HydrophobicContact CD1-CG1 4.26Å; L24-A53 HydrophobicContact CD1-CB 3.97Å; L24-A54 HydrophobicContact CD1-CB 4Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; L24-E57 WeakPolarHBondContact CA-OE2 3.48Å; L24-E57 WeakPolarHBondContact CB-OE2 3.05Å
25Q98.4Very high97.2Very high171 Ų17176.7 Ų76.780%0.79940%0.404SS*.SBendtrans-74.2-32.6165.3-61.9-56.8-36.700111.3E57Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3.32Å; Q25-E57 PolarHBondContact N-OE2 3.17Å
26F98.5Very high97.5Very high59 Ų5978.9 Ų78.926%0.25939%0.392SS..SBendtrans-71.6144.9-176.3-84.736.6000111.2S19 V28 A53 L56 E57 T60S19-F26 WeakPolarHBondContact CB-O 3.29Å; S19-F26 PolarHBondContact OG-O 3.25Å; F26-V28 PolarHBondContact O-N 3.27Å; F26-A53 HydrophobicContact CB-CB 4.28Å; F26-L56 HydrophobicContact CD2-CB 3.76Å; F26-L56 VanDerWaalsContact CE2-C 3.48Å; F26-L56 HydrophobicContact CE2-CB 3.81Å; F26-L56 WeakPolarHBondContact CE2-O 3.15Å; F26-E57 HydrophobicContact CB-CB 4.08Å; F26-E57 WeakPolarHBondContact CB-OE2 3.3Å; F26-E57 HydrophobicContact CD1-CB 3.77Å; F26-E57 HydrophobicContact CD1-CG 3.78Å; F26-E57 HydrophobicContact CD2-CB 3.99Å; F26-E57 HydrophobicContact CE1-CB 4.22Å; F26-E57 HydrophobicContact CE1-CG 4.17Å; F26-E57 HydrophobicContact CE2-CB 4.41Å; F26-E57 HydrophobicContact CG-CB 3.67Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.83Å; F26-T60 HydrophobicContact CZ-CG2 3.85Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.17Å
27P98.3Very high97.7Very high43 Ų4379.6 Ų79.628%0.27940%0.395SS..  trans-8283-167.433.3-37.9000112.7S19 G29 R30 V31S19-P27 WeakPolarHBondContact OG-CA 3.35Å; P27-G29 PolarHBondContact O-N 3.26Å; P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.95Å; P27-R30 WeakPolarHBondContact O-CA 3.44Å; P27-R30 WeakPolarHBondContact O-CB 3.42Å; P27-R30 PolarHBondContact O-N 3.12Å; P27-V31 PolarHBondContact O-N 2.98Å
28V98.6Very high97.8Very high0 Ų078.2 Ų78.20%039%0.391CS..Hα-helixtrans-47-40174.1176.80000112R18 S19 A22 L24 F26 R30 V31 H32 P49 V50 A53R18-V28 HydrophobicContact CB-CB 4.11Å; R18-V28 HydrophobicContact CB-CG1 3.87Å; S19-V28 PolarHBondContact OG-N 3.26Å; A22-V28 HydrophobicContact CB-CG2 4.47Å; L24-V28 HydrophobicContact CD1-CG2 3.8Å; F26-V28 PolarHBondContact O-N 3.27Å; V28-R30 PolarHBondContact O-N 2.92Å; V28-V31 PolarHBondContact O-N 3.25Å; V28-H32 PolarHBondContact O-N 3.06Å; V28-P49 HydrophobicContact CG1-CB 4.23Å; V28-P49 HydrophobicContact CG1-CG 4.43Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; V28-A53 HydrophobicContact CG2-CB 3.88Å
29G98Very high97.8Very high33 Ų3380.2 Ų80.234%0.3441%0.409SS..Hα-helixtrans-58.5-45.1177.300000113.4P27 R33P27-G29 PolarHBondContact O-N 3.26Å; G29-R33 PolarHBondContact O-N 3.38Å
30R98.4Very high97.7Very high148 Ų14888.1 Ų88.156%0.55844%0.438SS*.Hα-helixtrans-71.5-43.7179.8-173.2-176.1-63.1154.91110.8P27 V28 H32 R33 L34P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.95Å; P27-R30 WeakPolarHBondContact O-CA 3.44Å; P27-R30 WeakPolarHBondContact O-CB 3.42Å; P27-R30 PolarHBondContact O-N 3.12Å; V28-R30 PolarHBondContact O-N 2.92Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 3.22Å; R30-R33 PolarHBondContact O-N 3.24Å; R30-L34 HydrophobicContact CG-CD1 4.16Å; R30-L34 WeakPolarHBondContact O-CG 3.35Å; R30-L34 PolarHBondContact O-N 2.95Å
31V98.4Very high97.6Very high18 Ų1887.8 Ų87.811%0.10944%0.439CS..Hα-helixtrans-57.8-46.2176.6177.80000110.6P27 V28 R33 L34 L35 P49 L52 A53P27-V31 PolarHBondContact O-N 2.98Å; V28-V31 PolarHBondContact O-N 3.25Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.96Å; V31-L34 PolarHBondContact O-N 2.98Å; V31-L35 HydrophobicContact CG1-CD1 4Å; V31-L35 HydrophobicContact CG1-CG 4.3Å; V31-L35 WeakPolarHBondContact O-CG 3.49Å; V31-L35 PolarHBondContact O-N 3.47Å; V31-P49 HydrophobicContact CB-CB 4.25Å; V31-P49 HydrophobicContact CG1-CB 4.03Å; V31-L52 HydrophobicContact CG1-CB 4.14Å; V31-L52 HydrophobicContact CG1-CD2 3.79Å; V31-L52 HydrophobicContact CG1-CG 4.08Å; V31-A53 HydrophobicContact CG2-CB 4.18Å
32H98.3Very high97.6Very high33 Ų3388.7 Ų88.715%0.15345%0.451CS..Hα-helixtrans-58.8-44.1176.6-173.1-148.7000113R18 V28 R30 L34 L35 R36 P49R18-H32 PolarHBondContact NH1-ND1 2.85Å; R18-H32 PolarHBondContact NH2-ND1 3.23Å; R18-H32 VanDerWaalsContact NH2-ND1 3.17Å; V28-H32 PolarHBondContact O-N 3.06Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 3.22Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L35 PolarHBondContact O-N 3.36Å; H32-R36 PolarHBondContact CE1-NE 3.27Å; H32-R36 PolarHBondContact NE2-NE 2.91Å; H32-R36 PolarHBondContact O-N 2.74Å; H32-R36 VanDerWaalsContact O-N 3.15Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.72Å
33R98.1Very high97.6Very high169 Ų16997.1 Ų97.164%0.63847%0.474SS*.Hα-helixtrans-63.3-42.4178.6-175.2-177.966.9176.32.7111.1G29 R30 V31 R36 K37G29-R33 PolarHBondContact O-N 3.38Å; R30-R33 PolarHBondContact O-N 3.24Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.96Å; R33-R36 PolarHBondContact O-N 3.26Å; R33-K37 WeakPolarHBondContact O-CB 3.49Å; R33-K37 PolarHBondContact O-N 3.37Å
34L98.3Very high97.6Very high94 Ų9495.2 Ų95.249%0.49245%0.449SS..Hα-helixtrans-67.9-41.8178.6-69.9175.3000112.3R30 V31 H32 R36 K37 G38R30-L34 HydrophobicContact CG-CD1 4.16Å; R30-L34 WeakPolarHBondContact O-CG 3.35Å; R30-L34 PolarHBondContact O-N 2.95Å; V31-L34 PolarHBondContact O-N 2.98Å; H32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.41Å; L34-K37 PolarHBondContact O-N 2.96Å; L34-G38 PolarHBondContact O-N 3.33Å
35L98Very high97.5Very high32 Ų3296.2 Ų96.217%0.16847%0.466CS..Hα-helixtrans-58.5-41.5175-74.2172.7000112.1V31 H32 Y40 V44 P49 L52V31-L35 HydrophobicContact CG1-CD1 4Å; V31-L35 HydrophobicContact CG1-CG 4.3Å; V31-L35 WeakPolarHBondContact O-CG 3.49Å; V31-L35 PolarHBondContact O-N 3.47Å; H32-L35 PolarHBondContact O-N 3.36Å; L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE2 4.31Å; L35-V44 HydrophobicContact CB-CG1 4.09Å; L35-V44 HydrophobicContact CB-CG2 4.28Å; L35-V44 HydrophobicContact CD1-CG1 4.1Å; L35-P49 HydrophobicContact CD1-CB 4.13Å; L35-L52 HydrophobicContact CD1-CD2 4.29Å; L35-L52 HydrophobicContact CD2-CD2 3.92Å; L35-L52 HydrophobicContact CG-CD2 4.35Å
36R96.8Very high97.4Very high141 Ų14191.9 Ų91.953%0.53246%0.46SS..Hα-helixtrans-67.9-41.4174.8-73.7-175.3175.4-97.1-4.8112.6H32 R33 L34 G38 N39 V44H32-R36 PolarHBondContact CE1-NE 3.27Å; H32-R36 PolarHBondContact NE2-NE 2.91Å; H32-R36 PolarHBondContact O-N 2.74Å; H32-R36 VanDerWaalsContact O-N 3.15Å; R33-R36 PolarHBondContact O-N 3.26Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.41Å; R36-G38 VanDerWaalsContact C-N 3.28Å; R36-G38 PolarHBondContact O-N 3.15Å; R36-N39 PolarHBondContact O-N 3.41Å; R36-N39 PolarHBondContact O-OD1 2.88Å; R36-V44 HydrophobicContact CG-CB 4.29Å; R36-V44 HydrophobicContact CG-CG2 4.12Å
37K97.5Very high97.4Very high170 Ų17091.4 Ų91.474%0.73947%0.471SS*.Hα-helixtrans-65.6-32.7178.1-173.7-179.5177.3-174.70112.3R33 L34 N39R33-K37 WeakPolarHBondContact O-CB 3.49Å; R33-K37 PolarHBondContact O-N 3.37Å; L34-K37 PolarHBondContact O-N 2.96Å; K37-N39 PolarHBondContact O-N 2.95Å
38G97.3Very high97.4Very high34 Ų3491.6 Ų91.635%0.35148%0.476SS..THydrogen-bonded Turntrans-74.8-6.4179.900000114.8L34 R36 Y40L34-G38 PolarHBondContact O-N 3.33Å; R36-G38 VanDerWaalsContact C-N 3.28Å; R36-G38 PolarHBondContact O-N 3.15Å; G38-Y40 PolarHBondContact O-N 2.79Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
39N95.4Very high97.4Very high141 Ų14191.6 Ų91.675%0.75448%0.476SS*.THydrogen-bonded Turntrans50.733.9179.5-62.6-27.4000114.2R36 K37 A41R36-N39 PolarHBondContact O-N 3.41Å; R36-N39 PolarHBondContact O-OD1 2.88Å; K37-N39 PolarHBondContact O-N 2.95Å; N39-A41 PolarHBondContact O-N 3.4Å
40Y95.4Very high97.4Very high183 Ų18392.4 Ų92.472%0.71848%0.475SS*.SBendtrans-68.4-19-178.1-58.7-70000114L35 G38L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE2 4.31Å; G38-Y40 PolarHBondContact O-N 2.79Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
41A96.2Very high97.4Very high62 Ų6293.8 Ų93.851%0.51248%0.481SS..SBendtrans-161.3156177.300000109.5N39 R43N39-A41 PolarHBondContact O-N 3.4Å; A41-R43 PolarHBondContact O-N 2.92Å
42E96.3Very high97.4Very high200 Ų20096 Ų9694%0.93549%0.492SS*.SBendtrans-59-36.8175.9-63.4-177.8172.500112.5
43R97.4Very high97.4Very high220 Ų22094.5 Ų94.583%0.8349%0.485SS*.  trans-130.3127.6-179.2-61.7179.772.7162.61.6110.3A41A41-R43 PolarHBondContact O-N 2.92Å
44V97.1Very high97.5Very high22 Ų2288.2 Ų88.213%0.13347%0.469CS..  trans-102.6112.3171.4-178.50000108.8L35 R36 A48L35-V44 HydrophobicContact CB-CG1 4.09Å; L35-V44 HydrophobicContact CB-CG2 4.28Å; L35-V44 HydrophobicContact CD1-CG1 4.1Å; R36-V44 HydrophobicContact CG-CB 4.29Å; R36-V44 HydrophobicContact CG-CG2 4.12Å; V44-A48 HydrophobicContact CG1-CB 4.12Å
45G97.4Very high97.5Very high47 Ų4786.2 Ų86.249%0.48546%0.461SS..  trans-65.3153.2176.900000112.7G47 A48 P49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.78Å; G45-A48 WeakPolarHBondContact O-CB 3.37Å; G45-A48 PolarHBondContact O-N 3.01Å; G45-P49 WeakPolarHBondContact O-CD 3.46Å
46A95.5Very high97.5Very high81 Ų8188.2 Ų88.267%0.66947%0.471SS*.THydrogen-bonded Turntrans-64-29-175.500000113.8P49A46-P49 WeakPolarHBondContact O-CD 3.47Å; A46-P49 WeakPolarHBondContact O-CG 3.24Å
47G97.8Very high97.6Very high48 Ų4883.4 Ų83.450%0.49546%0.455SS..THydrogen-bonded Turntrans-76.6-28.6177.100000114.2G45 V50 Y51G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.78Å; G47-V50 WeakPolarHBondContact O-CB 3.43Å; G47-V50 PolarHBondContact O-N 3.23Å; G47-Y51 PolarHBondContact O-N 3.42Å
48A98.4Very high97.6Very high47 Ų4782 Ų8239%0.38845%0.446SS..Hα-helixtrans-53.8-49.7-17900000113.9V44 G45 V50 Y51 L52V44-A48 HydrophobicContact CG1-CB 4.12Å; G45-A48 WeakPolarHBondContact O-CB 3.37Å; G45-A48 PolarHBondContact O-N 3.01Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.26Å; A48-Y51 PolarHBondContact O-N 3.12Å; A48-L52 WeakPolarHBondContact O-CB 3.34Å; A48-L52 PolarHBondContact O-N 3.12Å
49P98.5Very high97.7Very high0 Ų082.8 Ų82.80%044%0.442CS..Hα-helixtrans-70.2-22.2176.728.8-37.7000114.3V28 V31 H32 L35 G45 A46 A53V28-P49 HydrophobicContact CG1-CB 4.23Å; V28-P49 HydrophobicContact CG1-CG 4.43Å; V31-P49 HydrophobicContact CB-CB 4.25Å; V31-P49 HydrophobicContact CG1-CB 4.03Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.72Å; L35-P49 HydrophobicContact CD1-CB 4.13Å; G45-P49 WeakPolarHBondContact O-CD 3.46Å; A46-P49 WeakPolarHBondContact O-CD 3.47Å; A46-P49 WeakPolarHBondContact O-CG 3.24Å; P49-A53 WeakPolarHBondContact O-CB 3.43Å; P49-A53 PolarHBondContact O-N 2.93Å
50V98.6Very high97.8Very high51 Ų5178.5 Ų78.531%0.30942%0.421SS..Hα-helixtrans-72.9-51.1174.8178.30000108.9A22 L24 V28 G47 A48 A53 A54A22-V50 HydrophobicContact CB-CG1 3.87Å; L24-V50 HydrophobicContact CD1-CG1 4.26Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; G47-V50 WeakPolarHBondContact O-CB 3.43Å; G47-V50 PolarHBondContact O-N 3.23Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.26Å; V50-A53 PolarHBondContact O-N 3.3Å; V50-A54 WeakPolarHBondContact O-CB 3.11Å; V50-A54 PolarHBondContact O-N 2.8Å
51Y98.7Very high98Very high177 Ų17772.4 Ų72.469%0.69441%0.408SS*.Hα-helixtrans-58.2-50.8178.4-177.5-97.2000111.6G47 A48 A53 A54 V55G47-Y51 PolarHBondContact O-N 3.42Å; A48-Y51 PolarHBondContact O-N 3.12Å; Y51-A53 VanDerWaalsContact C-N 3.35Å; Y51-A53 PolarHBondContact O-N 3.12Å; Y51-A54 WeakPolarHBondContact O-CB 3.32Å; Y51-A54 PolarHBondContact O-N 2.92Å; Y51-V55 HydrophobicContact CD1-CG2 4.29Å; Y51-V55 HydrophobicContact CE1-CG2 3.89Å; Y51-V55 HydrophobicContact CE2-CG2 4.4Å; Y51-V55 WeakPolarHBondContact O-CG2 3.29Å; Y51-V55 PolarHBondContact O-N 3.38Å
52L98.6Very high98.1Very high65 Ų6572.6 Ų72.634%0.3440%0.399SS..Hα-helixtrans-63.1-40.2179.4-179.459000112.2V31 L35 A48 A54 V55 L56V31-L52 HydrophobicContact CG1-CB 4.14Å; V31-L52 HydrophobicContact CG1-CD2 3.79Å; V31-L52 HydrophobicContact CG1-CG 4.08Å; L35-L52 HydrophobicContact CD1-CD2 4.29Å; L35-L52 HydrophobicContact CD2-CD2 3.92Å; L35-L52 HydrophobicContact CG-CD2 4.35Å; A48-L52 WeakPolarHBondContact O-CB 3.34Å; A48-L52 PolarHBondContact O-N 3.12Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å; L52-V55 PolarHBondContact O-N 3.44Å; L52-L56 HydrophobicContact CD1-CD1 4.21Å; L52-L56 HydrophobicContact CD1-CG 4.17Å; L52-L56 HydrophobicContact CG-CD1 4.09Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.34Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 2.95Å
53A98.8Very high98.2Very high0 Ų064.9 Ų64.90%036%0.363CS..Hα-helixtrans-63.1-40.7175.500000111.9L24 F26 V28 V31 P49 V50 Y51 L56 E57L24-A53 HydrophobicContact CD1-CB 3.97Å; F26-A53 HydrophobicContact CB-CB 4.28Å; V28-A53 HydrophobicContact CG2-CB 3.88Å; V31-A53 HydrophobicContact CG2-CB 4.18Å; P49-A53 WeakPolarHBondContact O-CB 3.43Å; P49-A53 PolarHBondContact O-N 2.93Å; V50-A53 PolarHBondContact O-N 3.3Å; Y51-A53 VanDerWaalsContact C-N 3.35Å; Y51-A53 PolarHBondContact O-N 3.12Å; A53-L56 PolarHBondContact O-N 3.49Å; A53-E57 VanDerWaalsContact O-CB 3.32Å; A53-E57 WeakPolarHBondContact O-CB 3.46Å; A53-E57 PolarHBondContact O-N 2.94Å
54A98.8Very high98.2Very high37 Ų3758.5 Ų58.531%0.30635%0.345SS..Hα-helixtrans-63.6-45.4177.900000112.1L24 V50 Y51 L52 L56 E57 Y58L24-A54 HydrophobicContact CD1-CB 4Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; V50-A54 WeakPolarHBondContact O-CB 3.11Å; V50-A54 PolarHBondContact O-N 2.8Å; Y51-A54 WeakPolarHBondContact O-CB 3.32Å; Y51-A54 PolarHBondContact O-N 2.92Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å; A54-L56 PolarHBondContact O-N 2.86Å; A54-E57 PolarHBondContact O-N 3.39Å; A54-Y58 WeakPolarHBondContact O-CB 3.3Å; A54-Y58 PolarHBondContact O-N 3.35Å
55V98.6Very high98.3Very high52 Ų5262.9 Ų62.932%0.31536%0.364SS..Hα-helixtrans-62.4-44.3177.41730000111.1Y51 L52 E57 Y58 L59Y51-V55 HydrophobicContact CD1-CG2 4.29Å; Y51-V55 HydrophobicContact CE1-CG2 3.89Å; Y51-V55 HydrophobicContact CE2-CG2 4.4Å; Y51-V55 WeakPolarHBondContact O-CG2 3.29Å; Y51-V55 PolarHBondContact O-N 3.38Å; L52-V55 PolarHBondContact O-N 3.44Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.16Å; V55-Y58 PolarHBondContact O-N 3.46Å; V55-L59 HydrophobicContact CG1-CD1 4.04Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 2.77Å
56L98.7Very high98.4Very high75 Ų7562.9 Ų62.939%0.39335%0.353SS..Hα-helixtrans-63.8-39.7177-69.2173000112.1F26 L52 A53 A54 T60F26-L56 HydrophobicContact CD2-CB 3.76Å; F26-L56 VanDerWaalsContact CE2-C 3.48Å; F26-L56 HydrophobicContact CE2-CB 3.81Å; F26-L56 WeakPolarHBondContact CE2-O 3.15Å; L52-L56 HydrophobicContact CD1-CD1 4.21Å; L52-L56 HydrophobicContact CD1-CG 4.17Å; L52-L56 HydrophobicContact CG-CD1 4.09Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.34Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.49Å; A54-L56 PolarHBondContact O-N 2.86Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 PolarHBondContact O-N 3.27Å; L56-T60 PolarHBondContact O-OG1 2.93Å
57E98.7Very high98.5Very high40 Ų4059 Ų5919%0.18732%0.321CS..Hα-helixtrans-64.8-48176.7-175.8166.4146.800111.3L24 Q25 F26 A53 A54 V55 T60 A61L24-E57 WeakPolarHBondContact CA-OE2 3.48Å; L24-E57 WeakPolarHBondContact CB-OE2 3.05Å; Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3.32Å; Q25-E57 PolarHBondContact N-OE2 3.17Å; F26-E57 HydrophobicContact CB-CB 4.08Å; F26-E57 WeakPolarHBondContact CB-OE2 3.3Å; F26-E57 HydrophobicContact CD1-CB 3.77Å; F26-E57 HydrophobicContact CD1-CG 3.78Å; F26-E57 HydrophobicContact CD2-CB 3.99Å; F26-E57 HydrophobicContact CE1-CB 4.22Å; F26-E57 HydrophobicContact CE1-CG 4.17Å; F26-E57 HydrophobicContact CE2-CB 4.41Å; F26-E57 HydrophobicContact CG-CB 3.67Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.83Å; A53-E57 VanDerWaalsContact O-CB 3.32Å; A53-E57 WeakPolarHBondContact O-CB 3.46Å; A53-E57 PolarHBondContact O-N 2.94Å; A54-E57 PolarHBondContact O-N 3.39Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.16Å; E57-T60 PolarHBondContact O-N 2.71Å; E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.49Å
58Y98.2Very high98.6Very high139 Ų13958 Ų5855%0.54531%0.311SS..Hα-helixtrans-56.2-54.1176.9170.8-100.4000111.8A54 V55 T60 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.3Å; A54-Y58 PolarHBondContact O-N 3.35Å; V55-Y58 PolarHBondContact O-N 3.46Å; Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.49Å; Y58-A61 PolarHBondContact O-N 2.99Å; Y58-E62 PolarHBondContact O-N 3.15Å
59L98.3Very high98.6Very high51 Ų5157.7 Ų57.727%0.26730%0.303SS..Hα-helixtrans-61.4-38.9179.7-69.6173.5000112.1V55 I63 L97V55-L59 HydrophobicContact CG1-CD1 4.04Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 2.77Å; L59-I63 WeakPolarHBondContact O-CD1 3.47Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.29Å; L59-I63 PolarHBondContact O-N 3.38Å; L59-I63 VanDerWaalsContact O-N 3.17Å; L59-L97 HydrophobicContact CD1-CD2 4.44Å; L59-L97 HydrophobicContact CD2-CD2 3.76Å
60T98.6Very high98.6Very high52 Ų5258.4 Ų58.432%0.31931%0.308SS..Hα-helixtrans-68.3-42.8178.3-57.10000111.2F26 L56 E57 Y58 I63 L64F26-T60 HydrophobicContact CZ-CG2 3.85Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.17Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 PolarHBondContact O-N 3.27Å; L56-T60 PolarHBondContact O-OG1 2.93Å; E57-T60 PolarHBondContact O-N 2.71Å; Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-I63 PolarHBondContact O-N 2.83Å; T60-L64 HydrophobicContact CG2-CD1 3.65Å; T60-L64 HydrophobicContact CG2-CG 4.07Å; T60-L64 VanDerWaalsContact O-CB 3.29Å; T60-L64 WeakPolarHBondContact O-CB 3.36Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.29Å
61A98.4Very high98.6Very high54 Ų5456.1 Ų56.145%0.44630%0.295SS..Hα-helixtrans-60.4-46.5178.300000111.1E57 Y58 L64 E65E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.49Å; Y58-A61 PolarHBondContact O-N 2.99Å; A61-L64 PolarHBondContact O-N 3.29Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.91Å
62E98.3Very high98.6Very high67 Ų6755.4 Ų55.431%0.31329%0.291SS..Hα-helixtrans-60.3-49.3179.2-167.559-145.200112Y58 L64 E65 L66 L94Y58-E62 PolarHBondContact O-N 3.15Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.49Å; E62-E65 PolarHBondContact O-N 3.03Å; E62-L66 WeakPolarHBondContact O-CG 3.44Å; E62-L66 PolarHBondContact O-N 3.01Å; E62-L66 VanDerWaalsContact O-N 3.16Å; E62-L94 HydrophobicContact CG-CD1 4.36Å
63I98.6Very high98.5Very high37 Ų3757.7 Ų57.719%0.1930%0.304CS..Hα-helixtrans-61.9-41.9178.2-67.2167000111L59 T60 A67 L84 L94 L98L59-I63 WeakPolarHBondContact O-CD1 3.47Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.29Å; L59-I63 PolarHBondContact O-N 3.38Å; L59-I63 VanDerWaalsContact O-N 3.17Å; T60-I63 PolarHBondContact O-N 2.83Å; I63-A67 WeakPolarHBondContact O-CB 3.27Å; I63-A67 PolarHBondContact O-N 3.22Å; I63-L84 HydrophobicContact CG2-CD2 3.8Å; I63-L94 HydrophobicContact CD1-CD2 4.25Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.8Å; I63-L94 HydrophobicContact CG1-CG 4.49Å; I63-L98 HydrophobicContact CD1-CD1 4.39Å
64L98.6Very high98.5Very high87 Ų8761.3 Ų61.346%0.45532%0.323SS..Hα-helixtrans-72.1-34.3-178.4-72.3179.9000112.9T60 A61 E62 G68 I79T60-L64 HydrophobicContact CG2-CD1 3.65Å; T60-L64 HydrophobicContact CG2-CG 4.07Å; T60-L64 VanDerWaalsContact O-CB 3.29Å; T60-L64 WeakPolarHBondContact O-CB 3.36Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.29Å; A61-L64 PolarHBondContact O-N 3.29Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.49Å; L64-G68 WeakPolarHBondContact O-CA 3.27Å; L64-G68 PolarHBondContact O-N 3.01Å; L64-I79 HydrophobicContact CD2-CD1 4.03Å
65E98.5Very high98.4Very high113 Ų11368.8 Ų68.853%0.52835%0.348SS..Hα-helixtrans-62.4-55.1175176.755.7-144.800110.1A61 E62 A67 G68 N69A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.91Å; E62-E65 PolarHBondContact O-N 3.03Å; E65-A67 PolarHBondContact O-N 3.33Å; E65-G68 PolarHBondContact O-N 3.18Å; E65-G68 VanDerWaalsContact O-N 3.15Å; E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 2.83Å; E65-N69 PolarHBondContact OE1-ND2 3.35Å
66L98.7Very high98.4Very high47 Ų4772.3 Ų72.325%0.24636%0.36CS..Hα-helixtrans-62.9-41.2179.3-64.9175.5000112.2E62 G68 N69 A70 A87 D91 L94E62-L66 WeakPolarHBondContact O-CG 3.44Å; E62-L66 PolarHBondContact O-N 3.01Å; E62-L66 VanDerWaalsContact O-N 3.16Å; L66-G68 VanDerWaalsContact C-N 3.33Å; L66-N69 PolarHBondContact O-N 3.43Å; L66-A70 PolarHBondContact O-N 3.02Å; L66-A87 HydrophobicContact CB-CB 3.64Å; L66-D91 HydrophobicContact CD1-CB 3.89Å; L66-L94 HydrophobicContact CD1-CD1 3.75Å
67A98.8Very high98.3Very high0 Ų076.3 Ų76.30%039%0.387CS..Hα-helixtrans-70.1-31.3176.700000112.4I63 E65 A71 I79 H83 L84 A87I63-A67 WeakPolarHBondContact O-CB 3.27Å; I63-A67 PolarHBondContact O-N 3.22Å; E65-A67 PolarHBondContact O-N 3.33Å; A67-A71 WeakPolarHBondContact O-CB 3.06Å; A67-A71 PolarHBondContact O-N 3.2Å; A67-I79 HydrophobicContact CB-CD1 4.12Å; A67-I79 HydrophobicContact CB-CG1 4.48Å; A67-I79 HydrophobicContact CB-CG2 3.98Å; A67-H83 HydrophobicContact CB-CB 4.42Å; A67-L84 HydrophobicContact CB-CD2 3.83Å; A67-A87 HydrophobicContact CB-CB 3.96Å
68G98.7Very high98.3Very high28 Ų2883.5 Ų83.529%0.28941%0.413SS..Hα-helixtrans-64.3-45171.900000111.5L64 E65 L66 A71 R72L64-G68 WeakPolarHBondContact O-CA 3.27Å; L64-G68 PolarHBondContact O-N 3.01Å; E65-G68 PolarHBondContact O-N 3.18Å; E65-G68 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.33Å; G68-A71 WeakPolarHBondContact O-CB 3.36Å; G68-A71 PolarHBondContact O-N 3.48Å; G68-R72 PolarHBondContact O-N 3.45Å
69N98.6Very high98.4Very high40 Ų4079.9 Ų79.921%0.21440%0.402CS..Hα-helixtrans-59.3-49.9173.2-70.6-37000111.1E65 L66 A71 R72 D73E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 2.83Å; E65-N69 PolarHBondContact OE1-ND2 3.35Å; L66-N69 PolarHBondContact O-N 3.43Å; N69-A71 VanDerWaalsContact C-N 3.29Å; N69-A71 PolarHBondContact O-N 3.38Å; N69-R72 WeakPolarHBondContact O-CB 3.4Å; N69-R72 PolarHBondContact O-N 3.11Å; N69-R72 VanDerWaalsContact O-N 3.12Å; N69-R72 PolarHBondContact OD1-NH1 2.76Å; N69-R72 PolarHBondContact OD1-NH2 3.17Å; N69-D73 VanDerWaalsContact O-CG 3.25Å; N69-D73 PolarHBondContact O-N 2.77Å
70A98.4Very high98.4Very high14 Ų1481 Ų8112%0.11641%0.408CS..Hα-helixtrans-60.8-34.6176.500000113.4L66 N74 H83 L86L66-A70 PolarHBondContact O-N 3.02Å; A70-N74 PolarHBondContact O-N 3.38Å; A70-N74 PolarHBondContact O-ND2 2.87Å; A70-H83 HydrophobicContact CB-CB 4.22Å; A70-L86 HydrophobicContact CB-CB 4.21Å; A70-L86 HydrophobicContact CB-CD1 4.49Å
71A98.7Very high98.4Very high4 Ų481.1 Ų81.13%0.03341%0.409CS..Hα-helixtrans-66.3-45.1174.800000111.7A67 G68 N69 N74 K75 K76 I79 H83A67-A71 WeakPolarHBondContact O-CB 3.06Å; A67-A71 PolarHBondContact O-N 3.2Å; G68-A71 WeakPolarHBondContact O-CB 3.36Å; G68-A71 PolarHBondContact O-N 3.48Å; N69-A71 VanDerWaalsContact C-N 3.29Å; N69-A71 PolarHBondContact O-N 3.38Å; A71-N74 CarbonylContact O-C 3.56Å; A71-N74 PolarHBondContact O-N 3.36Å; A71-K75 PolarHBondContact O-N 3.06Å; A71-K76 CarbonylContact C-O 3.32Å; A71-K76 WeakPolarHBondContact O-CA 3.4Å; A71-K76 PolarHBondContact O-N 2.99Å; A71-K76 VanDerWaalsContact O-O 3.08Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; A71-H83 VanDerWaalsContact CA-CE1 3.46Å; A71-H83 WeakPolarHBondContact CA-CE1 3.31Å; A71-H83 WeakPolarHBondContact CA-ND1 3.29Å; A71-H83 HydrophobicContact CB-CB 4.49Å; A71-H83 WeakPolarHBondContact CB-ND1 3.32Å
72R98.5Very high98.4Very high162 Ų16281.6 Ų81.661%0.61140%0.399SS*.Hα-helixtrans-61.6-43.1177.8-175.5178.865.1-146-7.7111.5G68 N69 N74 K75G68-R72 PolarHBondContact O-N 3.45Å; N69-R72 WeakPolarHBondContact O-CB 3.4Å; N69-R72 PolarHBondContact O-N 3.11Å; N69-R72 VanDerWaalsContact O-N 3.12Å; N69-R72 PolarHBondContact OD1-NH1 2.76Å; N69-R72 PolarHBondContact OD1-NH2 3.17Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.03Å; R72-K75 WeakPolarHBondContact O-CA 3.43Å; R72-K75 PolarHBondContact O-N 3Å
73D97.6Very high98.4Very high113 Ų11378.5 Ų78.560%0.60439%0.385SS*.Hα-helixtrans-62.9-35.2178.6-64.2-14.9000111.7N69 K75N69-D73 VanDerWaalsContact O-CG 3.25Å; N69-D73 PolarHBondContact O-N 2.77Å; D73-K75 PolarHBondContact O-N 2.96Å
74N97.2Very high98.4Very high75 Ų7579.3 Ų79.340%0.40139%0.389SS..THydrogen-bonded Turntrans-80.110.7172.1-68.7-29.7000113.9A70 A71 R72 K76 H83A70-N74 PolarHBondContact O-N 3.38Å; A70-N74 PolarHBondContact O-ND2 2.87Å; A71-N74 CarbonylContact O-C 3.56Å; A71-N74 PolarHBondContact O-N 3.36Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.03Å; N74-K76 HydrophobicContact CB-CG 4.29Å; N74-K76 WeakPolarHBondContact O-CG 3.22Å; N74-K76 PolarHBondContact O-N 3.18Å; N74-H83 PolarHBondContact ND2-CD2 3.49Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.36Å
75K98.2Very high98.4Very high194 Ų19475.9 Ų75.984%0.84337%0.371SS*.THydrogen-bonded Turntrans55.637.8-178.6-53.4176.7-177.81780112.4A71 R72 D73A71-K75 PolarHBondContact O-N 3.06Å; R72-K75 WeakPolarHBondContact O-CA 3.43Å; R72-K75 PolarHBondContact O-N 3Å; D73-K75 PolarHBondContact O-N 2.96Å
76K98.4Very high98.4Very high127 Ų12771.9 Ų71.955%0.55235%0.353SS*.  trans-115.8145.1176.7-57.8-57.3179.5-178.10110.3A71 N74A71-K76 CarbonylContact C-O 3.32Å; A71-K76 WeakPolarHBondContact O-CA 3.4Å; A71-K76 PolarHBondContact O-N 2.99Å; A71-K76 VanDerWaalsContact O-O 3.08Å; N74-K76 HydrophobicContact CB-CG 4.29Å; N74-K76 WeakPolarHBondContact O-CG 3.22Å; N74-K76 PolarHBondContact O-N 3.18Å
77T97.3Very high98.3Very high158 Ų15870 Ų7097%0.96934%0.344SS*.SBendtrans-94-7.6173.554.70000113
78R98.7Very high98.3Very high191 Ų19170.1 Ų70.172%0.72135%0.345SS*.SBendtrans-116.6129.5-178-177.3175.8-65.3141.51.9110.3I80 H83R78-I80 HydrophobicContact CG-CG2 4.46Å; R78-I80 PolarHBondContact O-N 3.01Å; R78-H83 PolarHBondContact O-CE1 2.68Å; R78-H83 PolarHBondContact O-ND1 2.89Å
79I98.7Very high98.3Very high63 Ų6370.8 Ų70.832%0.32334%0.339SS..  trans-69.3127.5168.4-63.3173.8000108.5L64 A67 A71 H83 L84L64-I79 HydrophobicContact CD2-CD1 4.03Å; A67-I79 HydrophobicContact CB-CD1 4.12Å; A67-I79 HydrophobicContact CB-CG1 4.48Å; A67-I79 HydrophobicContact CB-CG2 3.98Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; I79-H83 HydrophobicContact CG2-CB 4.21Å; I79-L84 HydrophobicContact CG2-CD2 4.09Å; I79-L84 HydrophobicContact CG2-CG 4.09Å
80I98.4Very high98.2Very high76 Ų7674.3 Ų74.339%0.3936%0.358SS..  trans-121.9166.9174.362.8163.8000108.9R78 R82 H83 L84R78-I80 HydrophobicContact CG-CG2 4.46Å; R78-I80 PolarHBondContact O-N 3.01Å; I80-R82 HydrophobicContact CD1-CB 3.96Å; I80-R82 HydrophobicContact CG1-CB 4.11Å; I80-R82 PolarHBondContact O-N 2.92Å; I80-H83 PolarHBondContact N-ND1 3.29Å; I80-H83 WeakPolarHBondContact O-CB 3.46Å; I80-H83 PolarHBondContact O-N 3.49Å; I80-L84 PolarHBondContact O-N 3.17Å
81P98.6Very high98.2Very high53 Ų5375.6 Ų75.634%0.34436%0.363SS..Hα-helixtrans-53-32.9-178.4-30.337.5000114.7H83 L84 Q85 I103 A104 Q105P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.44Å; P81-L84 PolarHBondContact O-N 3.45Å; P81-Q85 PolarHBondContact O-N 2.88Å; P81-I103 HydrophobicContact CB-CG2 4.44Å; P81-A104 VanDerWaalsContact CB-O 3.29Å; P81-A104 WeakPolarHBondContact CB-O 3.36Å; P81-Q105 HydrophobicContact CB-CB 4.04Å; P81-Q105 HydrophobicContact CG-CB 4.19Å
82R98.4Very high98.1Very high64 Ų6483.4 Ų83.424%0.24240%0.398CS..Hα-helixtrans-57.1-41.8172.317955.5178.1176.9-2.1113I80 Q85 L86 G106 V108I80-R82 HydrophobicContact CD1-CB 3.96Å; I80-R82 HydrophobicContact CG1-CB 4.11Å; I80-R82 PolarHBondContact O-N 2.92Å; R82-Q85 PolarHBondContact O-N 3.45Å; R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-G106 WeakPolarHBondContact CD-O 3.48Å; R82-G106 PolarHBondContact NH1-O 3.08Å; R82-V108 PolarHBondContact NH1-O 3.47Å; R82-V108 PolarHBondContact NH2-O 3.01Å; R82-V108 VanDerWaalsContact NH2-O 3.14Å
83H98.7Very high98.1Very high3 Ų382.5 Ų82.51%0.01440%0.401CS..Hα-helixtrans-69.2-37.1-179.7-54.7152.4000111.3A67 A70 A71 N74 R78 I79 I80 P81 L86 A87A67-H83 HydrophobicContact CB-CB 4.42Å; A70-H83 HydrophobicContact CB-CB 4.22Å; A71-H83 VanDerWaalsContact CA-CE1 3.46Å; A71-H83 WeakPolarHBondContact CA-CE1 3.31Å; A71-H83 WeakPolarHBondContact CA-ND1 3.29Å; A71-H83 HydrophobicContact CB-CB 4.49Å; A71-H83 WeakPolarHBondContact CB-ND1 3.32Å; N74-H83 PolarHBondContact ND2-CD2 3.49Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.36Å; R78-H83 PolarHBondContact O-CE1 2.68Å; R78-H83 PolarHBondContact O-ND1 2.89Å; I79-H83 HydrophobicContact CG2-CB 4.21Å; I80-H83 PolarHBondContact N-ND1 3.29Å; I80-H83 WeakPolarHBondContact O-CB 3.46Å; I80-H83 PolarHBondContact O-N 3.49Å; P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.44Å; H83-L86 PolarHBondContact O-N 3.18Å; H83-A87 VanDerWaalsContact O-CB 3.32Å; H83-A87 WeakPolarHBondContact O-CB 3.37Å; H83-A87 PolarHBondContact O-N 3.3Å
84L98.4Very high98.1Very high53 Ų5377.4 Ų77.428%0.27737%0.374SS..Hα-helixtrans-63.3-42.7172.3-64.5173.5000111.6I63 A67 I79 I80 P81 A87 V88 I103I63-L84 HydrophobicContact CG2-CD2 3.8Å; A67-L84 HydrophobicContact CB-CD2 3.83Å; I79-L84 HydrophobicContact CG2-CD2 4.09Å; I79-L84 HydrophobicContact CG2-CG 4.09Å; I80-L84 PolarHBondContact O-N 3.17Å; P81-L84 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 3.4Å; L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 VanDerWaalsContact O-CG2 3.29Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 2.99Å; L84-I103 HydrophobicContact CB-CG2 4.44Å
85Q98.4Very high98.2Very high16 Ų1676.9 Ų76.98%0.07537%0.371CS..Hα-helixtrans-62-45.9176.3-178.575.118.200111.8P81 R82 R89 G106 G107P81-Q85 PolarHBondContact O-N 2.88Å; R82-Q85 PolarHBondContact O-N 3.45Å; Q85-R89 HydrophobicContact CG-CG 4.27Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.3Å; Q85-R89 WeakPolarHBondContact O-CG 3.4Å; Q85-R89 PolarHBondContact O-N 2.98Å; Q85-G106 WeakPolarHBondContact CB-O 3.44Å; Q85-G106 WeakPolarHBondContact CG-O 3.39Å; Q85-G107 VanDerWaalsContact CD-O 3.25Å; Q85-G107 WeakPolarHBondContact CG-O 3.17Å; Q85-G107 PolarHBondContact NE2-O 2.9Å
86L98.1Very high98.1Very high29 Ų2976.4 Ų76.415%0.15237%0.369CS..Hα-helixtrans-62.9-43.4178-69.5175.6000111.2A70 R82 H83 N90 L109A70-L86 HydrophobicContact CB-CB 4.21Å; A70-L86 HydrophobicContact CB-CD1 4.49Å; R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.45Å; H83-L86 PolarHBondContact O-N 3.18Å; L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.32Å; L86-N90 PolarHBondContact O-N 3.48Å; L86-N90 PolarHBondContact O-ND2 2.87Å; L86-L109 HydrophobicContact CD2-CD2 3.89Å
87A98.2Very high98.1Very high7 Ų775.4 Ų75.46%0.05837%0.369CS..Hα-helixtrans-61.3-55.3176.800000111.8L66 A67 H83 L84 R89 D91L66-A87 HydrophobicContact CB-CB 3.64Å; A67-A87 HydrophobicContact CB-CB 3.96Å; H83-A87 VanDerWaalsContact O-CB 3.32Å; H83-A87 WeakPolarHBondContact O-CB 3.37Å; H83-A87 PolarHBondContact O-N 3.3Å; L84-A87 PolarHBondContact O-N 3.4Å; A87-R89 PolarHBondContact O-N 3.05Å; A87-D91 WeakPolarHBondContact O-CB 3.4Å; A87-D91 PolarHBondContact O-N 3.48Å
88V98.3Very high98.1Very high3 Ų369.8 Ų69.82%0.01833%0.333CS..Hα-helixtrans-66.1-37.7-174.2169.20000112.6L84 N95 L98 I103L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 VanDerWaalsContact O-CG2 3.29Å; L84-V88 WeakPolarHBondContact O-CG2 3.44Å; L84-V88 PolarHBondContact O-N 2.99Å; V88-N95 VanDerWaalsContact O-CA 3.3Å; V88-N95 WeakPolarHBondContact O-CA 3.42Å; V88-N95 VanDerWaalsContact O-CB 3.3Å; V88-N95 WeakPolarHBondContact O-CB 3.48Å; V88-N95 PolarHBondContact O-N 2.98Å; V88-N95 VanDerWaalsContact O-N 3.12Å; V88-L98 HydrophobicContact CB-CD1 4.37Å; V88-L98 HydrophobicContact CG1-CB 3.85Å; V88-L98 HydrophobicContact CG1-CD1 3.64Å; V88-L98 HydrophobicContact CG1-CG 4.31Å; V88-L98 HydrophobicContact CG2-CD1 3.72Å; V88-I103 HydrophobicContact CB-CD1 4.12Å; V88-I103 HydrophobicContact CG1-CD1 4.34Å; V88-I103 HydrophobicContact CG2-CD1 4.17Å
89R97.9Very high98Very high41 Ų4163.3 Ų63.316%0.15533%0.325CS..Hα-helixtrans-85.8-23.4-175.4-59.7-52.5172.6-151.9-4.1114.7Q85 A87 N95 L98 V101 L109Q85-R89 HydrophobicContact CG-CG 4.27Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.3Å; Q85-R89 WeakPolarHBondContact O-CG 3.4Å; Q85-R89 PolarHBondContact O-N 2.98Å; A87-R89 PolarHBondContact O-N 3.05Å; R89-N95 WeakPolarHBondContact CD-OD1 3.43Å; R89-N95 PolarHBondContact NH1-OD1 3.15Å; R89-N95 VanDerWaalsContact NH1-OD1 3.12Å; R89-L98 PolarHBondContact NH1-O 3.28Å; R89-V101 PolarHBondContact NH2-O 3.01Å; R89-L109 HydrophobicContact CB-CD1 3.64Å; R89-L109 HydrophobicContact CB-CD2 3.94Å; R89-L109 HydrophobicContact CB-CG 3.64Å; R89-L109 HydrophobicContact CG-CG 4.43Å
90N97Very high97.8Very high114 Ų11464.3 Ų64.361%0.6135%0.351SS*.Hα-helixtrans-85.4-18.9175.5-71.1-54.7000112.5L86L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.32Å; L86-N90 PolarHBondContact O-N 3.48Å; L86-N90 PolarHBondContact O-ND2 2.87Å
91D98Very high97.7Very high42 Ų4264.1 Ų64.123%0.22535%0.353CS..SBendtrans-89.6128.1172.7-178.480.1000111.3L66 A87 E93 L94 N95L66-D91 HydrophobicContact CD1-CB 3.89Å; A87-D91 WeakPolarHBondContact O-CB 3.4Å; A87-D91 PolarHBondContact O-N 3.48Å; D91-E93 PolarHBondContact OD2-N 3.21Å; D91-E93 VanDerWaalsContact OD2-N 3.15Å; D91-L94 HydrophobicContact CB-CB 4.09Å; D91-L94 HydrophobicContact CB-CD1 4.09Å; D91-L94 HydrophobicContact CB-CG 4.3Å; D91-L94 VanDerWaalsContact OD2-CB 3.31Å; D91-L94 WeakPolarHBondContact OD2-CB 3.43Å; D91-L94 VanDerWaalsContact OD2-CG 3.27Å; D91-L94 WeakPolarHBondContact OD2-CG 3.36Å; D91-L94 PolarHBondContact OD2-N 3.15Å; D91-N95 WeakPolarHBondContact O-CB 3.41Å; D91-N95 PolarHBondContact O-N 3.16Å
92E97.7Very high97.6Very high167 Ų16767.8 Ų67.878%0.7838%0.375SS*.Hα-helixtrans-66.2-45.3-173.9-174.7-179.2167.200112.3N95 K96E92-N95 PolarHBondContact O-N 3.22Å; E92-K96 WeakPolarHBondContact O-CB 3.15Å; E92-K96 PolarHBondContact O-N 3.27Å
93E98Very high97.6Very high144 Ų14466.4 Ų66.467%0.67337%0.372SS*.Hα-helixtrans-70.8-45.6-175-61.3-166.8141.100111.1D91 K96 L97D91-E93 PolarHBondContact OD2-N 3.21Å; D91-E93 VanDerWaalsContact OD2-N 3.15Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-L97 VanDerWaalsContact O-CB 3.28Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.23Å
94L98.2Very high97.6Very high6 Ų669.9 Ų69.93%0.03140%0.401CS..Hα-helixtrans-66-39.1175.5-67.5178000111.5E62 I63 L66 D91 K96 L97 L98E62-L94 HydrophobicContact CG-CD1 4.36Å; I63-L94 HydrophobicContact CD1-CD2 4.25Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.8Å; I63-L94 HydrophobicContact CG1-CG 4.49Å; L66-L94 HydrophobicContact CD1-CD1 3.75Å; D91-L94 HydrophobicContact CB-CB 4.09Å; D91-L94 HydrophobicContact CB-CD1 4.09Å; D91-L94 HydrophobicContact CB-CG 4.3Å; D91-L94 VanDerWaalsContact OD2-CB 3.31Å; D91-L94 WeakPolarHBondContact OD2-CB 3.43Å; D91-L94 VanDerWaalsContact OD2-CG 3.27Å; D91-L94 WeakPolarHBondContact OD2-CG 3.36Å; D91-L94 PolarHBondContact OD2-N 3.15Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.33Å; L94-L97 HydrophobicContact CD2-CD2 4.47Å; L94-L97 PolarHBondContact O-N 3.04Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 PolarHBondContact O-N 3.41Å
95N97.7Very high97.5Very high64 Ų6475.6 Ų75.634%0.34243%0.427SS..Hα-helixtrans-64.4-39.5177-172.844.9000111.1V88 R89 D91 E92 L98 G99V88-N95 VanDerWaalsContact O-CA 3.3Å; V88-N95 WeakPolarHBondContact O-CA 3.42Å; V88-N95 VanDerWaalsContact O-CB 3.3Å; V88-N95 WeakPolarHBondContact O-CB 3.48Å; V88-N95 PolarHBondContact O-N 2.98Å; V88-N95 VanDerWaalsContact O-N 3.12Å; R89-N95 WeakPolarHBondContact CD-OD1 3.43Å; R89-N95 PolarHBondContact NH1-OD1 3.15Å; R89-N95 VanDerWaalsContact NH1-OD1 3.12Å; D91-N95 WeakPolarHBondContact O-CB 3.41Å; D91-N95 PolarHBondContact O-N 3.16Å; E92-N95 PolarHBondContact O-N 3.22Å; N95-L98 CarbonylContact O-C 3.51Å; N95-G99 WeakPolarHBondContact O-CA 3.4Å; N95-G99 PolarHBondContact O-N 3.25Å
96K98Very high97.5Very high183 Ų18374.9 Ų74.980%0.79642%0.424SS*.Hα-helixtrans-66.1-47.6174.2-176.2177.8-179178.30111.5E92 E93 L94 L98 G99E92-K96 WeakPolarHBondContact O-CB 3.15Å; E92-K96 PolarHBondContact O-N 3.27Å; E93-K96 PolarHBondContact O-N 3.27Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.33Å; K96-L98 VanDerWaalsContact C-N 3.29Å; K96-L98 PolarHBondContact O-N 3.06Å; K96-G99 PolarHBondContact O-N 3.06Å
97L97.8Very high97.4Very high106 Ų10675.9 Ų75.956%0.55544%0.441SS*.Hα-helixtrans-60.2-38.7178.5179.763.2000112L59 E93 L94L59-L97 HydrophobicContact CD1-CD2 4.44Å; L59-L97 HydrophobicContact CD2-CD2 3.76Å; E93-L97 VanDerWaalsContact O-CB 3.28Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.23Å; L94-L97 HydrophobicContact CD2-CD2 4.47Å; L94-L97 PolarHBondContact O-N 3.04Å
98L97.4Very high97.3Very high41 Ų4180.8 Ų80.822%0.21547%0.47CS..THydrogen-bonded Turntrans-108.626.4-175.5-57.5177.1000112.8I63 V88 R89 L94 N95 K96 G100 V101I63-L98 HydrophobicContact CD1-CD1 4.39Å; V88-L98 HydrophobicContact CB-CD1 4.37Å; V88-L98 HydrophobicContact CG1-CB 3.85Å; V88-L98 HydrophobicContact CG1-CD1 3.64Å; V88-L98 HydrophobicContact CG1-CG 4.31Å; V88-L98 HydrophobicContact CG2-CD1 3.72Å; R89-L98 PolarHBondContact NH1-O 3.28Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 PolarHBondContact O-N 3.41Å; N95-L98 CarbonylContact O-C 3.51Å; K96-L98 VanDerWaalsContact C-N 3.29Å; K96-L98 PolarHBondContact O-N 3.06Å; L98-G100 VanDerWaalsContact C-N 3.31Å; L98-G100 PolarHBondContact O-N 2.75Å; L98-V101 HydrophobicContact CB-CB 4.28Å; L98-V101 HydrophobicContact CB-CG2 4.37Å; L98-V101 HydrophobicContact CD2-CG2 4.07Å; L98-V101 PolarHBondContact O-N 2.97Å; L98-V101 VanDerWaalsContact O-N 3.12Å
99G95Very high97.2Very high54 Ų5483.3 Ų83.356%0.55748%0.483SS*.THydrogen-bonded Turntrans-61.2-35.2-173.400000114.1N95 K96N95-G99 WeakPolarHBondContact O-CA 3.4Å; N95-G99 PolarHBondContact O-N 3.25Å; K96-G99 PolarHBondContact O-N 3.06Å
100G95Very high97Very high84 Ų8486.5 Ų86.587%0.86651%0.509SS*.THydrogen-bonded Turntrans-92.32.4177.600000115.1L98L98-G100 VanDerWaalsContact C-N 3.31Å; L98-G100 PolarHBondContact O-N 2.75Å
101V97Very high96.9Very high72 Ų7287.1 Ų87.144%0.43651%0.512SS..  trans-94.6126.3-173.2178.20000110.2R89 L98R89-V101 PolarHBondContact NH2-O 3.01Å; L98-V101 HydrophobicContact CB-CB 4.28Å; L98-V101 HydrophobicContact CB-CG2 4.37Å; L98-V101 HydrophobicContact CD2-CG2 4.07Å; L98-V101 PolarHBondContact O-N 2.97Å; L98-V101 VanDerWaalsContact O-N 3.12Å
102T97.2Very high96.8Very high131 Ų13190.1 Ų90.180%0.80453%0.527SS*.  trans-87.3123171.5-63.80000110.3A104T102-A104 PolarHBondContact O-N 3.37Å
103I97.5Very high96.6Very high34 Ų3487.7 Ų87.717%0.17452%0.516CS..  trans-9398.3172.5-56.7173.8000107.7P81 L84 V88 Q105 G106P81-I103 HydrophobicContact CB-CG2 4.44Å; L84-I103 HydrophobicContact CB-CG2 4.44Å; V88-I103 HydrophobicContact CB-CD1 4.12Å; V88-I103 HydrophobicContact CG1-CD1 4.34Å; V88-I103 HydrophobicContact CG2-CD1 4.17Å; I103-Q105 PolarHBondContact O-N 2.99Å; I103-G106 PolarHBondContact O-N 3.41Å
104A98Very high96.4Very high76 Ų7684.5 Ų84.563%0.62851%0.514SS*.THydrogen-bonded Turntrans-55.3136.9177.900000110.8P81 T102 G106P81-A104 VanDerWaalsContact CB-O 3.29Å; P81-A104 WeakPolarHBondContact CB-O 3.36Å; T102-A104 PolarHBondContact O-N 3.37Å; A104-G106 PolarHBondContact O-N 3.17Å; A104-G106 VanDerWaalsContact O-N 3.15Å
105Q97.9Very high96.2Very high174 Ų17490.5 Ų90.581%0.81355%0.551SS**THydrogen-bonded Turntrans62.111.3-176.6-53-62.2-28.500115.1P81 I103P81-Q105 HydrophobicContact CB-CB 4.04Å; P81-Q105 HydrophobicContact CG-CB 4.19Å; I103-Q105 PolarHBondContact O-N 2.99Å
106G97.6Very high96.1Very high1 Ų193.5 Ų93.51%0.0157%0.566CS.*  trans-79.7-23.2177.800000114.8R82 Q85 I103 A104R82-G106 WeakPolarHBondContact CD-O 3.48Å; R82-G106 PolarHBondContact NH1-O 3.08Å; Q85-G106 WeakPolarHBondContact CB-O 3.44Å; Q85-G106 WeakPolarHBondContact CG-O 3.39Å; I103-G106 PolarHBondContact O-N 3.41Å; A104-G106 PolarHBondContact O-N 3.17Å; A104-G106 VanDerWaalsContact O-N 3.15Å
107G96.4Very high95.9Very high49 Ų4989.1 Ų89.151%0.50555%0.551SS.*  trans65.6-155.2-168.500000111.8Q85Q85-G107 VanDerWaalsContact CD-O 3.25Å; Q85-G107 WeakPolarHBondContact CG-O 3.17Å; Q85-G107 PolarHBondContact NE2-O 2.9Å
108V95.9Very high95.6Very high111 Ų11189.8 Ų89.867%0.67356%0.561SS**  trans-126.4161.5179.5-630000111.1R82R82-V108 PolarHBondContact NH1-O 3.47Å; R82-V108 PolarHBondContact NH2-O 3.01Å; R82-V108 VanDerWaalsContact NH2-O 3.14Å
109L95.4Very high95Very high56 Ų5697.4 Ų97.429%0.29359%0.593SS.*  trans-58.2132.8167.7-70.7-175.7000108.7L86 R89 N111L86-L109 HydrophobicContact CD2-CD2 3.89Å; R89-L109 HydrophobicContact CB-CD1 3.64Å; R89-L109 HydrophobicContact CB-CD2 3.94Å; R89-L109 HydrophobicContact CB-CG 3.64Å; R89-L109 HydrophobicContact CG-CG 4.43Å; L109-N111 PolarHBondContact O-N 3.39Å; L109-N111 VanDerWaalsContact O-N 3.1Å
110P93.9Very high94.4Very high107 Ų107104.7 Ų104.770%0.69561%0.609SS**  trans-57.6120.1176.4-21.533.9000109.3
111N94.8Very high93.3Very high127 Ų127106.9 Ų106.968%0.67961%0.606SS**  trans-149133.6177.6-178.942.3000108.5L109L109-N111 PolarHBondContact O-N 3.39Å; L109-N111 VanDerWaalsContact O-N 3.1Å
112I95.5Very high92Very high105 Ų105112.3 Ų112.354%0.53863%0.626SS.*  trans-119.7123.7174.3-174.5161.5000108.8L116 L117I112-L116 HydrophobicContact CD1-CB 4.43Å; I112-L116 HydrophobicContact CG1-CB 4.14Å; I112-L117 HydrophobicContact CD1-CD2 3.68Å; I112-L117 HydrophobicContact CG1-CD2 4.19Å; I112-L117 HydrophobicContact CG2-CD2 4.28Å
113Q94.1Very high90.5Very high116 Ų116110.9 Ų110.954%0.54262%0.622SS.*  trans-68.2135175.2-65-64.5-16.800109.4V115 L116Q113-V115 HydrophobicContact CB-CG1 4.04Å; Q113-V115 PolarHBondContact O-N 2.98Å; Q113-L116 HydrophobicContact CB-CD1 4.27Å; Q113-L116 HydrophobicContact CB-CG 4.29Å; Q113-L116 WeakPolarHBondContact O-CB 3.4Å; Q113-L116 PolarHBondContact O-N 3.23Å
114A93.5Very high88.6Confident78 Ų78118 Ų11865%0.64565%0.654SS**G310 helixtrans-56.9-29.5-175.300000113.4L116 L117A114-L116 PolarHBondContact O-N 3.32Å; A114-L117 WeakPolarHBondContact O-CB 3.43Å; A114-L117 PolarHBondContact O-N 3.15Å; A114-L117 VanDerWaalsContact O-N 3.12Å
115V95.1Very high86.7Confident132 Ų132123.2 Ų123.280%0.866%0.663SS**G310 helixtrans-62.7-25.2175.669.40000113.6Q113 L117Q113-V115 HydrophobicContact CB-CG1 4.04Å; Q113-V115 PolarHBondContact O-N 2.98Å; V115-L117 VanDerWaalsContact C-N 3.32Å
116L94.5Very high84.8Confident126 Ų126120.6 Ų120.666%0.6666%0.66SS**G310 helixtrans-84.5-9.1178.6-58.3177000112.4I112 Q113 A114I112-L116 HydrophobicContact CD1-CB 4.43Å; I112-L116 HydrophobicContact CG1-CB 4.14Å; Q113-L116 HydrophobicContact CB-CD1 4.27Å; Q113-L116 HydrophobicContact CB-CG 4.29Å; Q113-L116 WeakPolarHBondContact O-CB 3.4Å; Q113-L116 PolarHBondContact O-N 3.23Å; A114-L116 PolarHBondContact O-N 3.32Å
117L93.7Very high83.2Confident91 Ų91123.7 Ų123.748%0.47669%0.692SS.*SBendtrans-76.5141.8175.3-62.1174.5000109.9I112 A114 V115 K119I112-L117 HydrophobicContact CD1-CD2 3.68Å; I112-L117 HydrophobicContact CG1-CD2 4.19Å; I112-L117 HydrophobicContact CG2-CD2 4.28Å; A114-L117 WeakPolarHBondContact O-CB 3.43Å; A114-L117 PolarHBondContact O-N 3.15Å; A114-L117 VanDerWaalsContact O-N 3.12Å; V115-L117 VanDerWaalsContact C-N 3.32Å; L117-K119 PolarHBondContact O-N 2.84Å
118P92.5Very high81.3Confident120 Ų120131.3 Ų131.378%0.77971%0.712SS**PPolyproline II helixtrans-59.4134.8176.323.3-32000110.5K120P118-K120 PolarHBondContact O-N 2.91Å
119K85.4Confident79.5Confident202 Ų202133.7 Ų133.788%0.87872%0.721SS**PPolyproline II helixtrans-62.2129.1172.2-67.9-177.8179.4179.90108L117 T121L117-K119 PolarHBondContact O-N 2.84Å; K119-T121 PolarHBondContact O-N 2.94Å
120K80.9Confident77.3Confident207 Ų207144.3 Ų144.390%0.977%0.765SS**  trans-55.5111.6171.1-77.5-177.6176.8179.60108.1P118 E122P118-K120 PolarHBondContact O-N 2.91Å; K120-E122 PolarHBondContact O-N 3.13Å
121T73.4Confident76.5Confident130 Ų130146.2 Ų146.280%0.79877%0.768SS**  trans-68.1124.5162.741.50000107.2K119 S123K119-T121 PolarHBondContact O-N 2.94Å; T121-S123 PolarHBondContact O-N 3.1Å
122E69.2Low75.5Confident185 Ų185147.2 Ų147.286%0.86477%0.773SS**  trans-54.5116.1170.4-67-167.7161.500108.2K120 H124K120-E122 PolarHBondContact O-N 3.13Å; E122-H124 PolarHBondContact O-N 3.27Å
123S64.7Low74.4Confident101 Ų101149.6 Ų149.671%0.70679%0.786SS**  trans-57.5109.9171.4540000107.4T121 K125T121-S123 PolarHBondContact O-N 3.1Å; S123-K125 VanDerWaalsContact C-N 3.35Å; S123-K125 PolarHBondContact O-N 3.2Å
124H57.2Low73.3Confident184 Ų184151.5 Ų151.585%0.85280%0.8SS**  trans-55.599.8174.4-145.573.4000107.2E122 P126E122-H124 PolarHBondContact O-N 3.27Å; H124-P126 VanDerWaalsContact O-CD 3.26Å; H124-P126 WeakPolarHBondContact O-CD 3.47Å
125K59.3Low72Confident186 Ų186156.1 Ų156.181%0.80981%0.81SS**PPolyproline II helixtrans-63.9117.2171.4-81.4-175.9176.8175.40105.3S123 G127S123-K125 VanDerWaalsContact C-N 3.35Å; S123-K125 PolarHBondContact O-N 3.2Å; K125-G127 PolarHBondContact O-N 3.44Å
126P58.6Low70.5Confident118 Ų118157.7 Ų157.777%0.76681%0.81SS**PPolyproline II helixtrans-61.7118.717525-29.9000106.8H124 K128H124-P126 VanDerWaalsContact O-CD 3.26Å; H124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-K128 PolarHBondContact O-N 3.13Å
127G63.4Low68.7Low66 Ų66160 Ų16068%0.6882%0.821SS**PPolyproline II helixtrans-51.8127.9177.400000109.2K125 N129K125-G127 PolarHBondContact O-N 3.44Å; G127-N129 PolarHBondContact O-N 2.78Å
128K56.3Low66.8Low209 Ų209165.3 Ų165.391%0.90985%0.848SS**  trans-56.8106.2166.8-77.3-178.1173.7-177.60107P126P126-K128 PolarHBondContact O-N 3.13Å
129N57.7Low64.7Low161 Ų161169.1 Ų169.186%0.86185%0.853SS**  trans-67.3139.6165.3-90.3-12.5000108.6G127G127-N129 PolarHBondContact O-N 2.78Å
130K49.9Very low62.8Low280 Ų280166.1 Ų166.1100%1.21785%0.851SS**  trans-46.80-173.6-67169.8175.51770114.4

Retrieved 130 of 130 residues in 23.4 ms (Link to these results)