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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 (H0ZGA9), UniProt , Accession A0A093HLQ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 129 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
1M50.6Low57.4Low250 Ų250139.3 Ų139.3100%1.23284%0.839SS**  095.40-76.8-179.1155.500109.6
2S50.8Low58.3Low120 Ų120148 Ų14884%0.83985%0.846SS**  trans-105.184170.258.40000109.3R4S2-R4 PolarHBondContact O-N 2.86Å
3G54.9Low59.2Low79 Ų79143.2 Ų143.281%0.81484%0.836SS**  trans-64.496.8170.200000108.9G5G3-G5 PolarHBondContact O-N 3.27Å
4R55Low60.2Low219 Ų219148 Ų14883%0.82684%0.841SS**  trans-7381172.4-149173.4-168.1169.86.5107.6S2S2-R4 PolarHBondContact O-N 2.86Å
5G57.8Low61.8Low59 Ų59143.9 Ų143.961%0.60883%0.833SS**  trans-52.4144.2172.400000110.7G3 Q7G3-G5 PolarHBondContact O-N 3.27Å; G5-Q7 PolarHBondContact O-N 3.17Å
6K62.5Low63.6Low211 Ų211144.6 Ų144.692%0.91782%0.823SS**  trans-23115.5176.9-115.3174.2176.8173.30112G8K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.39Å
7Q57.9Low65.5Low160 Ų160139.9 Ų139.975%0.74880%0.801SS**  trans-54.689176.3-74.3169.3-5.300111G5G5-Q7 PolarHBondContact O-N 3.17Å
8G56.8Low67.2Low83 Ų83137.8 Ų137.886%0.85678%0.778SS**  trans-99.9-0.2177.600000114.3K6K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.39Å
9G59.8Low68.8Low77 Ų77131.4 Ų131.479%0.79474%0.743SS**  trans-127.211.3-163.300000117.6
10K61.6Low70.3Confident170 Ų170128.3 Ų128.374%0.73973%0.73SS**SBendtrans-99137.2170.6-72.3-170.6176.4-172.30109.7R12K10-R12 PolarHBondContact O-N 2.89Å
11A63.7Low71.5Confident104 Ų104130.8 Ų130.886%0.8673%0.728SS**  trans-42.6117.5170.500000108.8A13A11-A13 PolarHBondContact O-N 3.13Å
12R67.9Low73.7Confident244 Ų244120.9 Ų120.992%0.92169%0.686SS**  trans-59.7106.2-172.4-115.4179.4178.1176.51.1107.8K10 K14K10-R12 PolarHBondContact O-N 2.89Å; R12-K14 PolarHBondContact O-N 3.01Å
13A70.3Confident76Confident86 Ų86118 Ų11871%0.71168%0.676SS**  trans-50.7142.3166.200000108.4A11 A15A11-A13 PolarHBondContact O-N 3.13Å; A13-A15 PolarHBondContact O-N 3.03Å
14K73.8Confident78.1Confident210 Ų210115.5 Ų115.591%0.91364%0.643SS**  trans-48.6113178.6-84.5-176.4178.3176.80108.8R12 K16R12-K14 PolarHBondContact O-N 3.01Å; K14-K16 PolarHBondContact O-N 3.43Å; K14-K16 VanDerWaalsContact O-N 3.13Å
15A83.8Confident80.1Confident87 Ų87113.1 Ų113.172%0.71964%0.642SS**PPolyproline II helixtrans-65.1117.8-176.700000108.8A13 S17A13-A15 PolarHBondContact O-N 3.03Å; A15-S17 PolarHBondContact O-N 3.43Å
16K90.8Very high82.1Confident155 Ų155113 Ų11367%0.67463%0.625SS**PPolyproline II helixtrans-57.8136.7171.4-69.3-171.1179.8-175.10109.7K14 R21K14-K16 PolarHBondContact O-N 3.43Å; K14-K16 VanDerWaalsContact O-N 3.13Å; K16-R21 HydrophobicContact CB-CG 4.01Å; K16-R21 PolarHBondContact O-NE 3.12Å
17S95.4Very high83.8Confident64 Ų64105.3 Ų105.345%0.44860%0.596SS.*PPolyproline II helixtrans-68.5158.4178.779.20000110.5A15 S19 S20 R21A15-S17 PolarHBondContact O-N 3.43Å; S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.22Å; S17-S20 PolarHBondContact N-OG 3.48Å; S17-S20 VanDerWaalsContact N-OG 3.15Å; S17-S20 PolarHBondContact O-N 3.42Å; S17-S20 PolarHBondContact O-OG 3.08Å; S17-S20 WeakPolarHBondContact OG-CB 3.37Å; S17-S20 PolarHBondContact OG-N 3.13Å; S17-S20 PolarHBondContact OG-OG 2.83Å; S17-R21 WeakPolarHBondContact O-CG 3.06Å; S17-R21 PolarHBondContact O-N 3.2Å
18R96.5Very high85.7Confident102 Ų10297.7 Ų97.739%0.38556%0.56SS.*Hα-helixtrans-62.7-35.3174.8-72.5-172.7-80.2152.9-7.1111.9R21 A22 V28 H32R18-R21 PolarHBondContact O-N 3.06Å; R18-A22 WeakPolarHBondContact O-CB 3.45Å; R18-A22 PolarHBondContact O-N 2.87Å; R18-A22 VanDerWaalsContact O-N 3.09Å; R18-V28 HydrophobicContact CB-CB 4.02Å; R18-V28 HydrophobicContact CB-CG1 3.79Å; R18-H32 PolarHBondContact NH1-ND1 3.39Å; R18-H32 PolarHBondContact NH2-ND1 2.74Å
19S97.9Very high87.7Confident17 Ų1795.3 Ų95.312%0.11954%0.536CS..Hα-helixtrans-62.2-50.5173.9-60.70000111.8S17 R21 A22 G23 L24 F26 P27 V28S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.22Å; S19-R21 PolarHBondContact O-N 3.25Å; S19-A22 CarbonylContact O-C 3.23Å; S19-A22 PolarHBondContact O-N 3.14Å; S19-G23 PolarHBondContact O-N 2.81Å; S19-L24 WeakPolarHBondContact CB-O 3.41Å; S19-L24 PolarHBondContact O-N 2.81Å; S19-L24 VanDerWaalsContact O-N 3.07Å; S19-F26 WeakPolarHBondContact CB-O 3.41Å; S19-F26 PolarHBondContact OG-O 3.42Å; S19-P27 WeakPolarHBondContact OG-CA 3.1Å; S19-V28 PolarHBondContact OG-N 2.94Å
20S97.4Very high89.5Confident69 Ų6998.5 Ų98.548%0.48352%0.524SS..Hα-helixtrans-65.5-29.2-179.269.90000112.7S17S17-S20 PolarHBondContact N-OG 3.48Å; S17-S20 VanDerWaalsContact N-OG 3.15Å; S17-S20 PolarHBondContact O-N 3.42Å; S17-S20 PolarHBondContact O-OG 3.08Å; S17-S20 WeakPolarHBondContact OG-CB 3.37Å; S17-S20 PolarHBondContact OG-N 3.13Å; S17-S20 PolarHBondContact OG-OG 2.83Å
21R96.8Very high91.3Very high180 Ų18091.1 Ų91.168%0.67949%0.493SS*.Hα-helixtrans-72.6-30.4173.2-71.4176.8-173.1-175.70.1112.8K16 S17 R18 S19K16-R21 HydrophobicContact CB-CG 4.01Å; K16-R21 PolarHBondContact O-NE 3.12Å; S17-R21 WeakPolarHBondContact O-CG 3.06Å; S17-R21 PolarHBondContact O-N 3.2Å; R18-R21 PolarHBondContact O-N 3.06Å; S19-R21 PolarHBondContact O-N 3.25Å
22A97.5Very high93Very high42 Ų4287.7 Ų87.735%0.34746%0.459SS..Hα-helixtrans-89.3-5.7178.900000113.4R18 S19 L24 V50R18-A22 WeakPolarHBondContact O-CB 3.45Å; R18-A22 PolarHBondContact O-N 2.87Å; R18-A22 VanDerWaalsContact O-N 3.09Å; S19-A22 CarbonylContact O-C 3.23Å; S19-A22 PolarHBondContact O-N 3.14Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 4Å; A22-L24 HydrophobicContact CB-CG 4Å; A22-V50 HydrophobicContact CB-CG1 3.74Å
23G98Very high94.4Very high61 Ų6183.7 Ų83.763%0.62944%0.444SS*.THydrogen-bonded Turntrans72.721.4-176.100000114.3S19S19-G23 PolarHBondContact O-N 2.81Å
24L98.4Very high95.8Very high26 Ų2684.4 Ų84.414%0.13644%0.435CS..  trans-102.9141.5-175.8-61.5176.7000111.5S19 A22 V28 V50 A53 A54 E57S19-L24 WeakPolarHBondContact CB-O 3.41Å; S19-L24 PolarHBondContact O-N 2.81Å; S19-L24 VanDerWaalsContact O-N 3.07Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 4Å; A22-L24 HydrophobicContact CB-CG 4Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; L24-A53 HydrophobicContact CD1-CB 3.91Å; L24-A54 HydrophobicContact CD1-CB 4.05Å; L24-A54 HydrophobicContact CD2-CB 3.77Å; L24-E57 WeakPolarHBondContact CB-OE2 3.49Å
25Q98.5Very high97Very high169 Ų16975.9 Ų75.979%0.7940%0.399SS*.SBendtrans-75.3-32.6166.1-59.2-56.4-35.500111.3E57Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3Å; Q25-E57 VanDerWaalsContact N-OE1 3.14Å; Q25-E57 PolarHBondContact N-OE2 3.33Å
26F98.4Very high97.6Very high57 Ų5779.5 Ų79.525%0.2539%0.394CS..SBendtrans-70.8146.8-178.2-92.746.3000112.5S19 V28 A53 L56 E57 T60S19-F26 WeakPolarHBondContact CB-O 3.41Å; S19-F26 PolarHBondContact OG-O 3.42Å; F26-V28 PolarHBondContact O-N 3.09Å; F26-A53 HydrophobicContact CB-CB 4.29Å; F26-L56 HydrophobicContact CD2-CB 3.82Å; F26-L56 HydrophobicContact CE2-CB 3.8Å; F26-E57 HydrophobicContact CB-CB 4.14Å; F26-E57 WeakPolarHBondContact CB-OE2 3.39Å; F26-E57 HydrophobicContact CD1-CB 3.74Å; F26-E57 HydrophobicContact CD1-CG 3.82Å; F26-E57 HydrophobicContact CD2-CB 4.4Å; F26-E57 HydrophobicContact CE1-CB 4.26Å; F26-E57 HydrophobicContact CE1-CG 4.33Å; F26-E57 HydrophobicContact CG-CB 3.83Å; F26-E57 HydrophobicContact CG-CG 4.37Å; F26-E57 PolarHBondContact N-OE2 3.32Å; F26-T60 HydrophobicContact CE1-CG2 4.38Å; F26-T60 HydrophobicContact CZ-CG2 4.06Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.1Å
27P98.5Very high98Very high48 Ų4880.3 Ų80.331%0.31240%0.398SS..  trans-81.886.4-171.932.7-36.8000112.8S19 G29 R30 V31S19-P27 WeakPolarHBondContact OG-CA 3.1Å; P27-G29 PolarHBondContact O-N 3.34Å; P27-R30 HydrophobicContact CB-CB 3.87Å; P27-R30 HydrophobicContact CG-CB 3.93Å; P27-R30 WeakPolarHBondContact O-CB 3.26Å; P27-R30 PolarHBondContact O-N 2.92Å; P27-V31 PolarHBondContact O-N 3.46Å
28V98.6Very high98.1Very high0 Ų078.9 Ų78.90%039%0.393CS..Hα-helixtrans-48.8-38.6175.6176.20000112.3R18 S19 L24 F26 R30 V31 H32 P49 V50 A53R18-V28 HydrophobicContact CB-CB 4.02Å; R18-V28 HydrophobicContact CB-CG1 3.79Å; S19-V28 PolarHBondContact OG-N 2.94Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; F26-V28 PolarHBondContact O-N 3.09Å; V28-R30 PolarHBondContact O-N 3.36Å; V28-V31 PolarHBondContact O-N 2.92Å; V28-H32 PolarHBondContact O-N 3.15Å; V28-P49 HydrophobicContact CG1-CB 4.28Å; V28-P49 HydrophobicContact CG1-CG 4.46Å; V28-V50 HydrophobicContact CG1-CG2 3.75Å; V28-A53 HydrophobicContact CG2-CB 3.92Å
29G98.1Very high98.1Very high33 Ų3381 Ų8134%0.3441%0.412SS..Hα-helixtrans-61.8-42178.300000113.7P27 R33P27-G29 PolarHBondContact O-N 3.34Å; G29-R33 PolarHBondContact O-N 2.85Å
30R98.6Very high98.1Very high145 Ų14588.6 Ų88.655%0.54744%0.439SS..Hα-helixtrans-70.7-43.8178.2-175.8-179.8-65.6168.7-1.4110.7P27 V28 H32 R33 L34P27-R30 HydrophobicContact CB-CB 3.87Å; P27-R30 HydrophobicContact CG-CB 3.93Å; P27-R30 WeakPolarHBondContact O-CB 3.26Å; P27-R30 PolarHBondContact O-N 2.92Å; V28-R30 PolarHBondContact O-N 3.36Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 2.85Å; R30-R33 PolarHBondContact O-N 2.97Å; R30-R33 VanDerWaalsContact O-N 3.15Å; R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 HydrophobicContact CG-CG 4.49Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3.43Å
31V98.6Very high98.1Very high14 Ų1488.2 Ų88.29%0.08544%0.44CS..Hα-helixtrans-57.4-45.9176.4177.10000110.7P27 V28 R33 L34 L35 P49 L52 A53P27-V31 PolarHBondContact O-N 3.46Å; V28-V31 PolarHBondContact O-N 2.92Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.36Å; V31-L34 PolarHBondContact O-N 3.01Å; V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 HydrophobicContact CG1-CG 4.42Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.34Å; V31-P49 HydrophobicContact CB-CB 4.31Å; V31-P49 HydrophobicContact CG1-CB 4.05Å; V31-L52 HydrophobicContact CG1-CB 4.17Å; V31-L52 HydrophobicContact CG1-CD2 3.85Å; V31-L52 HydrophobicContact CG1-CG 4.11Å; V31-A53 HydrophobicContact CG2-CB 4.09Å
32H98.6Very high98.1Very high33 Ų3388.8 Ų88.815%0.15345%0.451CS..Hα-helixtrans-58.5-44.6176.2-168.9-172.9000112.4R18 V28 R30 L35 R36 P49R18-H32 PolarHBondContact NH1-ND1 3.39Å; R18-H32 PolarHBondContact NH2-ND1 2.74Å; V28-H32 PolarHBondContact O-N 3.15Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 2.85Å; H32-L35 PolarHBondContact O-N 2.94Å; H32-R36 WeakPolarHBondContact O-CG 3.34Å; H32-R36 PolarHBondContact O-N 3.12Å; H32-P49 HydrophobicContact CB-CB 3.61Å; H32-P49 HydrophobicContact CB-CG 3.72Å
33R98.6Very high98.2Very high160 Ų16096.7 Ų96.760%0.60447%0.472SS*.Hα-helixtrans-63.6-41.9178.2-175.3-17666-1513.9111.8G29 R30 V31 R36 K37G29-R33 PolarHBondContact O-N 2.85Å; R30-R33 PolarHBondContact O-N 2.97Å; R30-R33 VanDerWaalsContact O-N 3.15Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 3.26Å; R33-K37 WeakPolarHBondContact O-CB 3.36Å; R33-K37 PolarHBondContact O-N 3.36Å
34L98.6Very high98.2Very high100 Ų10095.3 Ų95.352%0.52445%0.451SS..Hα-helixtrans-65.4-42.1178-69.2175000111.6R30 V31 R36 K37 G38R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 HydrophobicContact CG-CG 4.49Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3.43Å; V31-L34 PolarHBondContact O-N 3.01Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.3Å; L34-K37 PolarHBondContact O-N 2.89Å; L34-G38 PolarHBondContact O-N 2.85Å
35L98.4Very high98.2Very high31 Ų3196.4 Ų96.416%0.16247%0.468CS..Hα-helixtrans-59.8-42.4174.2-72.2171.5000112.2V31 H32 Y40 V44 P49 L52V31-L35 HydrophobicContact CG1-CD1 4.09Å; V31-L35 HydrophobicContact CG1-CG 4.42Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.34Å; H32-L35 PolarHBondContact O-N 2.94Å; L35-Y40 HydrophobicContact CD2-CD2 3.96Å; L35-Y40 HydrophobicContact CD2-CE2 4.1Å; L35-Y40 WeakPolarHBondContact O-CD2 3.32Å; L35-V44 HydrophobicContact CB-CG1 4.14Å; L35-V44 HydrophobicContact CB-CG2 4.14Å; L35-V44 HydrophobicContact CD1-CG1 4.08Å; L35-P49 HydrophobicContact CD1-CB 4.18Å; L35-L52 HydrophobicContact CD1-CD2 4.16Å; L35-L52 HydrophobicContact CD2-CD2 3.87Å; L35-L52 HydrophobicContact CG-CD2 4.26Å
36R97.8Very high98.1Very high164 Ų16492.2 Ų92.262%0.61946%0.463SS*.Hα-helixtrans-66.8-38.8176.9-72.9-102.3-71-110.60.8112.9H32 R33 L34 V44H32-R36 WeakPolarHBondContact O-CG 3.34Å; H32-R36 PolarHBondContact O-N 3.12Å; R33-R36 PolarHBondContact O-N 3.26Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.3Å; R36-V44 HydrophobicContact CG-CB 4.33Å; R36-V44 HydrophobicContact CG-CG2 4.11Å
37K98.2Very high98.1Very high172 Ų17291.9 Ų91.975%0.74848%0.475SS*.Hα-helixtrans-77.7-23.8179.8-174.9175.2173.5179.80112.6R33 L34 N39R33-K37 WeakPolarHBondContact O-CB 3.36Å; R33-K37 PolarHBondContact O-N 3.36Å; L34-K37 PolarHBondContact O-N 2.89Å; K37-N39 PolarHBondContact O-N 3.26Å
38G97.7Very high98.1Very high33 Ų3392 Ų9234%0.3448%0.48SS..THydrogen-bonded Turntrans-78.30.7-175.900000115.3L34 Y40L34-G38 PolarHBondContact O-N 2.85Å; G38-Y40 PolarHBondContact O-N 3.21Å; G38-Y40 VanDerWaalsContact O-N 3.14Å
39N96.9Very high98.1Very high147 Ų14792 Ų9279%0.78648%0.48SS*.THydrogen-bonded Turntrans53.931178.8-58.6-26.8000114.3K37K37-N39 PolarHBondContact O-N 3.26Å
40Y97.7Very high98.1Very high177 Ų17792.7 Ų92.769%0.69448%0.478SS*.SBendtrans-71.3-30.3179.5-58.1-69.8000113.1L35 G38L35-Y40 HydrophobicContact CD2-CD2 3.96Å; L35-Y40 HydrophobicContact CD2-CE2 4.1Å; L35-Y40 WeakPolarHBondContact O-CD2 3.32Å; G38-Y40 PolarHBondContact O-N 3.21Å; G38-Y40 VanDerWaalsContact O-N 3.14Å
41A97.8Very high98.1Very high61 Ų6194.4 Ų94.450%0.50449%0.486SS..  trans-161.9159.6177.900000109.9R43A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 2.86Å
42E97.5Very high98.1Very high192 Ų19296.8 Ų96.890%0.89750%0.497SS*.SBendtrans-60-38.7176.5-169.7-166.2156.800112.3
43R98.1Very high98.1Very high208 Ų20895.2 Ų95.279%0.78549%0.49SS*.  trans-128.2143.3-178.4-60.4176.670.7121.9-3.2110.5A41A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 2.86Å
44V98.1Very high98.1Very high32 Ų3289.3 Ų89.319%0.19448%0.476CS..  trans-117.4118.1174.1-179.50000108.4L35 R36 A48L35-V44 HydrophobicContact CB-CG1 4.14Å; L35-V44 HydrophobicContact CB-CG2 4.14Å; L35-V44 HydrophobicContact CD1-CG1 4.08Å; R36-V44 HydrophobicContact CG-CB 4.33Å; R36-V44 HydrophobicContact CG-CG2 4.11Å; V44-A48 HydrophobicContact CG1-CB 4.21Å
45G98.1Very high98.2Very high48 Ų4887 Ų8750%0.49547%0.466SS..  trans-64.3150.8176.900000112.2G47 A48 P49G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.3Å; G45-A48 PolarHBondContact O-N 3.33Å; G45-P49 WeakPolarHBondContact O-CD 3.33Å
46A97Very high98.2Very high82 Ų8289 Ų8968%0.67848%0.476SS*.SBendtrans-64.8-28.2-174.700000114.1P49A46-P49 WeakPolarHBondContact O-CD 3.34Å; A46-P49 WeakPolarHBondContact O-CG 3.04Å
47G98.1Very high98.2Very high50 Ų5083.1 Ų83.152%0.51546%0.456SS..SBendtrans-80.3-28.2178.200000114.5G45 V50 Y51G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.3Å; G47-V50 WeakPolarHBondContact O-CB 3.31Å; G47-V50 PolarHBondContact O-N 3.43Å; G47-Y51 PolarHBondContact O-N 2.78Å
48A98.6Very high98.2Very high50 Ų5081.5 Ų81.541%0.41345%0.446SS..Hα-helixtrans-53.1-48.8-179.800000114.1V44 G45 V50 Y51 L52V44-A48 HydrophobicContact CG1-CB 4.21Å; G45-A48 PolarHBondContact O-N 3.33Å; A48-V50 VanDerWaalsContact C-N 3.26Å; A48-V50 PolarHBondContact O-N 2.93Å; A48-Y51 PolarHBondContact O-N 2.9Å; A48-L52 WeakPolarHBondContact O-CB 3.4Å; A48-L52 PolarHBondContact O-N 3.25Å
49P98.6Very high98.3Very high0 Ų082.6 Ų82.60%044%0.443CS..Hα-helixtrans-70.8-19.6178.429-37.6000114.1V28 V31 H32 L35 G45 A46 A53V28-P49 HydrophobicContact CG1-CB 4.28Å; V28-P49 HydrophobicContact CG1-CG 4.46Å; V31-P49 HydrophobicContact CB-CB 4.31Å; V31-P49 HydrophobicContact CG1-CB 4.05Å; H32-P49 HydrophobicContact CB-CB 3.61Å; H32-P49 HydrophobicContact CB-CG 3.72Å; L35-P49 HydrophobicContact CD1-CB 4.18Å; G45-P49 WeakPolarHBondContact O-CD 3.33Å; A46-P49 WeakPolarHBondContact O-CD 3.34Å; A46-P49 WeakPolarHBondContact O-CG 3.04Å; P49-A53 WeakPolarHBondContact O-CB 3.37Å; P49-A53 PolarHBondContact O-N 2.94Å
50V98.7Very high98.4Very high48 Ų4878.1 Ų78.129%0.29142%0.422SS..Hα-helixtrans-73.6-51.1174.1179.30000108.9A22 L24 V28 G47 A48 A53 A54A22-V50 HydrophobicContact CB-CG1 3.74Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; V28-V50 HydrophobicContact CG1-CG2 3.75Å; G47-V50 WeakPolarHBondContact O-CB 3.31Å; G47-V50 PolarHBondContact O-N 3.43Å; A48-V50 VanDerWaalsContact C-N 3.26Å; A48-V50 PolarHBondContact O-N 2.93Å; V50-A53 PolarHBondContact O-N 2.89Å; V50-A54 PolarHBondContact O-N 2.79Å
51Y98.8Very high98.4Very high181 Ų18172.4 Ų72.471%0.7141%0.411SS*.Hα-helixtrans-59.6-49.7179.3-170.2-90.5000111.6G47 A48 A53 A54 V55G47-Y51 PolarHBondContact O-N 2.78Å; A48-Y51 PolarHBondContact O-N 2.9Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.35Å; Y51-A54 WeakPolarHBondContact O-CB 3.22Å; Y51-A54 PolarHBondContact O-N 3.26Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; Y51-V55 HydrophobicContact CD1-CG2 4.08Å; Y51-V55 HydrophobicContact CE1-CG2 3.75Å; Y51-V55 WeakPolarHBondContact O-CG2 3.48Å; Y51-V55 PolarHBondContact O-N 3.2Å
52L98.8Very high98.5Very high64 Ų6472.7 Ų72.734%0.33540%0.402SS..Hα-helixtrans-63.3-39.1178.9-178.360.2000112.2V31 L35 A48 A54 V55 L56V31-L52 HydrophobicContact CG1-CB 4.17Å; V31-L52 HydrophobicContact CG1-CD2 3.85Å; V31-L52 HydrophobicContact CG1-CG 4.11Å; L35-L52 HydrophobicContact CD1-CD2 4.16Å; L35-L52 HydrophobicContact CD2-CD2 3.87Å; L35-L52 HydrophobicContact CG-CD2 4.26Å; A48-L52 WeakPolarHBondContact O-CB 3.4Å; A48-L52 PolarHBondContact O-N 3.25Å; L52-A54 VanDerWaalsContact C-N 3.31Å; L52-A54 PolarHBondContact O-N 2.91Å; L52-V55 PolarHBondContact O-N 3.33Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.07Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.21Å
53A98.8Very high98.5Very high0 Ų065.2 Ų65.20%037%0.367CS..Hα-helixtrans-62.4-40.1175.700000111.9L24 F26 V28 V31 P49 V50 Y51 L56 E57L24-A53 HydrophobicContact CD1-CB 3.91Å; F26-A53 HydrophobicContact CB-CB 4.29Å; V28-A53 HydrophobicContact CG2-CB 3.92Å; V31-A53 HydrophobicContact CG2-CB 4.09Å; P49-A53 WeakPolarHBondContact O-CB 3.37Å; P49-A53 PolarHBondContact O-N 2.94Å; V50-A53 PolarHBondContact O-N 2.89Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.35Å; A53-L56 PolarHBondContact O-N 3.14Å; A53-E57 WeakPolarHBondContact O-CB 3.32Å; A53-E57 PolarHBondContact O-N 3.24Å
54A98.8Very high98.5Very high36 Ų3659.5 Ų59.530%0.29835%0.352SS..Hα-helixtrans-64.1-44.6176.700000112.1L24 V50 Y51 L52 L56 E57 Y58L24-A54 HydrophobicContact CD1-CB 4.05Å; L24-A54 HydrophobicContact CD2-CB 3.77Å; V50-A54 PolarHBondContact O-N 2.79Å; Y51-A54 WeakPolarHBondContact O-CB 3.22Å; Y51-A54 PolarHBondContact O-N 3.26Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; L52-A54 VanDerWaalsContact C-N 3.31Å; L52-A54 PolarHBondContact O-N 2.91Å; A54-L56 PolarHBondContact O-N 2.87Å; A54-E57 PolarHBondContact O-N 3.3Å; A54-Y58 WeakPolarHBondContact O-CB 3.34Å; A54-Y58 PolarHBondContact O-N 3.29Å
55V98.8Very high98.6Very high52 Ų5263.2 Ų63.232%0.31537%0.367SS..Hα-helixtrans-63-43.2176.9173.60000111.3Y51 L52 E57 Y58 L59Y51-V55 HydrophobicContact CD1-CG2 4.08Å; Y51-V55 HydrophobicContact CE1-CG2 3.75Å; Y51-V55 WeakPolarHBondContact O-CG2 3.48Å; Y51-V55 PolarHBondContact O-N 3.2Å; L52-V55 PolarHBondContact O-N 3.33Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.27Å; V55-Y58 PolarHBondContact O-N 3.07Å; V55-L59 HydrophobicContact CG1-CD1 4.06Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CG 3.33Å; V55-L59 PolarHBondContact O-N 3.16Å
56L98.8Very high98.6Very high72 Ų7263.1 Ų63.138%0.37736%0.355SS..Hα-helixtrans-64.4-38.9176.8-69.4173.3000112.3F26 L52 A53 A54 T60F26-L56 HydrophobicContact CD2-CB 3.82Å; F26-L56 HydrophobicContact CE2-CB 3.8Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.07Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.21Å; A53-L56 PolarHBondContact O-N 3.14Å; A54-L56 PolarHBondContact O-N 2.87Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.24Å; L56-T60 PolarHBondContact O-N 3.34Å; L56-T60 VanDerWaalsContact O-N 3.07Å; L56-T60 PolarHBondContact O-OG1 3.23Å
57E98.8Very high98.7Very high41 Ų4159.2 Ų59.219%0.19232%0.323CS..Hα-helixtrans-64.7-46175.1-174.4167.2149.200111.4L24 Q25 F26 A53 A54 V55 T60 A61L24-E57 WeakPolarHBondContact CB-OE2 3.49Å; Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3Å; Q25-E57 VanDerWaalsContact N-OE1 3.14Å; Q25-E57 PolarHBondContact N-OE2 3.33Å; F26-E57 HydrophobicContact CB-CB 4.14Å; F26-E57 WeakPolarHBondContact CB-OE2 3.39Å; F26-E57 HydrophobicContact CD1-CB 3.74Å; F26-E57 HydrophobicContact CD1-CG 3.82Å; F26-E57 HydrophobicContact CD2-CB 4.4Å; F26-E57 HydrophobicContact CE1-CB 4.26Å; F26-E57 HydrophobicContact CE1-CG 4.33Å; F26-E57 HydrophobicContact CG-CB 3.83Å; F26-E57 HydrophobicContact CG-CG 4.37Å; F26-E57 PolarHBondContact N-OE2 3.32Å; A53-E57 WeakPolarHBondContact O-CB 3.32Å; A53-E57 PolarHBondContact O-N 3.24Å; A54-E57 PolarHBondContact O-N 3.3Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.27Å; E57-T60 PolarHBondContact O-N 2.85Å; E57-A61 WeakPolarHBondContact O-CB 3.5Å; E57-A61 PolarHBondContact O-N 3.02Å
58Y98.6Very high98.7Very high137 Ų13758 Ų5854%0.53731%0.31SS..Hα-helixtrans-58.2-53.8176.8167.6-114.3000112.1A54 V55 T60 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.34Å; A54-Y58 PolarHBondContact O-N 3.29Å; V55-Y58 PolarHBondContact O-N 3.07Å; Y58-T60 PolarHBondContact O-N 3.37Å; Y58-A61 WeakPolarHBondContact O-CB 3.43Å; Y58-A61 PolarHBondContact O-N 2.93Å; Y58-A61 VanDerWaalsContact O-N 3.09Å; Y58-E62 PolarHBondContact O-N 3.5Å
59L98.6Very high98.7Very high56 Ų5657.8 Ų57.829%0.29330%0.302SS..Hα-helixtrans-61.7-34.7179.4-69173.1000112.2V55 I63 L97V55-L59 HydrophobicContact CG1-CD1 4.06Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CG 3.33Å; V55-L59 PolarHBondContact O-N 3.16Å; L59-I63 WeakPolarHBondContact O-CG1 3.13Å; L59-I63 PolarHBondContact O-N 3.15Å; L59-I63 VanDerWaalsContact O-N 3.16Å; L59-L97 HydrophobicContact CD2-CD2 4.35Å
60T98.8Very high98.7Very high54 Ų5458.3 Ų58.333%0.33131%0.306SS..Hα-helixtrans-66.7-43.9175.3-59.40000111F26 L56 E57 Y58 L64F26-T60 HydrophobicContact CE1-CG2 4.38Å; F26-T60 HydrophobicContact CZ-CG2 4.06Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.1Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.24Å; L56-T60 PolarHBondContact O-N 3.34Å; L56-T60 VanDerWaalsContact O-N 3.07Å; L56-T60 PolarHBondContact O-OG1 3.23Å; E57-T60 PolarHBondContact O-N 2.85Å; Y58-T60 PolarHBondContact O-N 3.37Å; T60-L64 HydrophobicContact CG2-CD1 3.79Å; T60-L64 HydrophobicContact CG2-CG 4.33Å; T60-L64 WeakPolarHBondContact O-CB 3.31Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.47Å; T60-L64 PolarHBondContact O-N 3.49Å
61A98.6Very high98.7Very high56 Ų5656.1 Ų56.146%0.46329%0.293SS..Hα-helixtrans-62-45.2177.600000111.4E57 Y58 I63 L64 E65E57-A61 WeakPolarHBondContact O-CB 3.5Å; E57-A61 PolarHBondContact O-N 3.02Å; Y58-A61 WeakPolarHBondContact O-CB 3.43Å; Y58-A61 PolarHBondContact O-N 2.93Å; Y58-A61 VanDerWaalsContact O-N 3.09Å; A61-I63 PolarHBondContact O-N 3.33Å; A61-L64 PolarHBondContact O-N 3.15Å; A61-E65 WeakPolarHBondContact O-CB 3.38Å; A61-E65 PolarHBondContact O-N 3.42Å
62E98.5Very high98.7Very high67 Ų6755.6 Ų55.631%0.31329%0.29SS..Hα-helixtrans-58.5-50.8178.8-166.262.9-137.100111.8Y58 L64 E65 L66Y58-E62 PolarHBondContact O-N 3.5Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 2.81Å; E62-E65 PolarHBondContact O-N 3.34Å; E62-L66 WeakPolarHBondContact O-CG 3.41Å; E62-L66 PolarHBondContact O-N 2.96Å; E62-L66 VanDerWaalsContact O-N 3.15Å
63I98.6Very high98.6Very high35 Ų3558.7 Ų58.718%0.17931%0.307CS..Hα-helixtrans-62.6-40178.5-67.3168.9000111L59 A61 A67 L84 I88 L94 L98L59-I63 WeakPolarHBondContact O-CG1 3.13Å; L59-I63 PolarHBondContact O-N 3.15Å; L59-I63 VanDerWaalsContact O-N 3.16Å; A61-I63 PolarHBondContact O-N 3.33Å; I63-A67 WeakPolarHBondContact O-CB 3.34Å; I63-A67 PolarHBondContact O-N 2.93Å; I63-L84 HydrophobicContact CG2-CD2 3.78Å; I63-I88 HydrophobicContact CG2-CD1 4.3Å; I63-I88 HydrophobicContact CG2-CG1 4.45Å; I63-L94 HydrophobicContact CD1-CD2 4.18Å; I63-L94 HydrophobicContact CG1-CD1 3.86Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; I63-L98 HydrophobicContact CD1-CD1 4.45Å
64L98.8Very high98.5Very high88 Ų8862.5 Ų62.546%0.46133%0.327SS..Hα-helixtrans-70.5-35.7-179.8-74.3176.1000112.9T60 A61 E62 G68 I79T60-L64 HydrophobicContact CG2-CD1 3.79Å; T60-L64 HydrophobicContact CG2-CG 4.33Å; T60-L64 WeakPolarHBondContact O-CB 3.31Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.47Å; T60-L64 PolarHBondContact O-N 3.49Å; A61-L64 PolarHBondContact O-N 3.15Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 2.81Å; L64-G68 WeakPolarHBondContact O-CA 3.5Å; L64-G68 PolarHBondContact O-N 3.36Å; L64-I79 HydrophobicContact CD2-CD1 4Å
65E98.6Very high98.5Very high111 Ų11170.3 Ų70.352%0.51936%0.355SS..Hα-helixtrans-61.9-54.2175.2179.357.9-149.300110.1A61 E62 A67 G68 N69A61-E65 WeakPolarHBondContact O-CB 3.38Å; A61-E65 PolarHBondContact O-N 3.42Å; E62-E65 PolarHBondContact O-N 3.34Å; E65-A67 PolarHBondContact O-N 3.22Å; E65-G68 PolarHBondContact O-N 3.27Å; E65-G68 VanDerWaalsContact O-N 3.15Å; E65-N69 PolarHBondContact O-N 3.42Å; E65-N69 PolarHBondContact O-ND2 3.05Å; E65-N69 PolarHBondContact OE1-ND2 3.05Å
66L98.6Very high98.5Very high46 Ų4673.1 Ų73.124%0.24136%0.363CS..Hα-helixtrans-63.3-40.8179-63.3178.2000112.3E62 G68 N69 A70 A87 D91 L94E62-L66 WeakPolarHBondContact O-CG 3.41Å; E62-L66 PolarHBondContact O-N 2.96Å; E62-L66 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 2.97Å; L66-N69 PolarHBondContact O-N 3.38Å; L66-A70 WeakPolarHBondContact O-CB 3.38Å; L66-A70 PolarHBondContact O-N 3.42Å; L66-A87 HydrophobicContact CB-CB 3.63Å; L66-D91 HydrophobicContact CD1-CB 4.03Å; L66-L94 HydrophobicContact CD1-CD1 3.72Å
67A98.8Very high98.4Very high0 Ų077 Ų770%039%0.39CS..Hα-helixtrans-69.8-30.1176.400000112.5I63 E65 A71 I79 H83 L84 A87I63-A67 WeakPolarHBondContact O-CB 3.34Å; I63-A67 PolarHBondContact O-N 2.93Å; E65-A67 PolarHBondContact O-N 3.22Å; A67-A71 WeakPolarHBondContact O-CB 3.44Å; A67-A71 PolarHBondContact O-N 3.21Å; A67-I79 HydrophobicContact CB-CD1 4.15Å; A67-I79 HydrophobicContact CB-CG2 4.03Å; A67-H83 HydrophobicContact CB-CB 4.46Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; A67-L84 HydrophobicContact CB-CG 4.49Å; A67-A87 HydrophobicContact CB-CB 4.05Å
68G98.8Very high98.4Very high23 Ų2384.2 Ų84.224%0.23742%0.415CS..Hα-helixtrans-65.4-44.217100000111.8L64 E65 L66 A71 R72L64-G68 WeakPolarHBondContact O-CA 3.5Å; L64-G68 PolarHBondContact O-N 3.36Å; E65-G68 PolarHBondContact O-N 3.27Å; E65-G68 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 2.97Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.15Å; G68-R72 PolarHBondContact O-N 3.39Å
69N98.6Very high98.4Very high46 Ų4680.7 Ų80.725%0.24641%0.405CS..Hα-helixtrans-62.5-47.7173.8-68.7-30.4000111E65 L66 A71 R72 D73E65-N69 PolarHBondContact O-N 3.42Å; E65-N69 PolarHBondContact O-ND2 3.05Å; E65-N69 PolarHBondContact OE1-ND2 3.05Å; L66-N69 PolarHBondContact O-N 3.38Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.42Å; N69-R72 WeakPolarHBondContact O-CB 3.42Å; N69-R72 PolarHBondContact O-N 3.01Å; N69-R72 PolarHBondContact OD1-NH1 2.92Å; N69-D73 VanDerWaalsContact O-CG 3.29Å; N69-D73 PolarHBondContact O-N 3.39Å
70A98.3Very high98.4Very high11 Ų1181 Ų819%0.09141%0.406CS..Hα-helixtrans-59.8-35.6174.500000112.9L66 N74 H83 L86L66-A70 WeakPolarHBondContact O-CB 3.38Å; L66-A70 PolarHBondContact O-N 3.42Å; A70-N74 PolarHBondContact O-N 2.93Å; A70-N74 PolarHBondContact O-ND2 2.98Å; A70-H83 HydrophobicContact CB-CB 4.22Å; A70-L86 HydrophobicContact CB-CB 4.23Å
71A98.8Very high98.4Very high3 Ų380.9 Ų80.93%0.02541%0.406CS..Hα-helixtrans-64.6-45.6173.900000111.5A67 G68 N69 N74 K75 K76 I79 H83A67-A71 WeakPolarHBondContact O-CB 3.44Å; A67-A71 PolarHBondContact O-N 3.21Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.15Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.42Å; A71-N74 CarbonylContact O-C 3.48Å; A71-N74 PolarHBondContact O-N 3.38Å; A71-K75 PolarHBondContact O-N 2.7Å; A71-K76 CarbonylContact C-O 3.42Å; A71-K76 VanDerWaalsContact C-O 3.23Å; A71-K76 PolarHBondContact O-N 2.98Å; A71-K76 VanDerWaalsContact O-O 3.06Å; A71-I79 HydrophobicContact CB-CG1 4.39Å; A71-H83 WeakPolarHBondContact CA-ND1 3.34Å; A71-H83 WeakPolarHBondContact CB-ND1 3.31Å
72R98.5Very high98.4Very high170 Ų17081.4 Ų81.464%0.64240%0.396SS*.Hα-helixtrans-61.1-43.9178.6-171.9-175.5-64.5149.53.3111.7G68 N69 N74 K75G68-R72 PolarHBondContact O-N 3.39Å; N69-R72 WeakPolarHBondContact O-CB 3.42Å; N69-R72 PolarHBondContact O-N 3.01Å; N69-R72 PolarHBondContact OD1-NH1 2.92Å; R72-N74 PolarHBondContact O-N 3.28Å; R72-K75 WeakPolarHBondContact O-CA 3.4Å; R72-K75 PolarHBondContact O-N 3.17Å
73D97.2Very high98.5Very high128 Ų12878.3 Ų78.368%0.68438%0.382SS*.Hα-helixtrans-63-34.2177.5-65-18.6000112N69 K75N69-D73 VanDerWaalsContact O-CG 3.29Å; N69-D73 PolarHBondContact O-N 3.39Å; D73-K75 PolarHBondContact O-N 2.99Å
74N97.1Very high98.5Very high81 Ų8179.1 Ų79.143%0.43339%0.386SS..THydrogen-bonded Turntrans-81.311.2172.1-72.6-68.7000113.5A70 A71 R72 K76A70-N74 PolarHBondContact O-N 2.93Å; A70-N74 PolarHBondContact O-ND2 2.98Å; A71-N74 CarbonylContact O-C 3.48Å; A71-N74 PolarHBondContact O-N 3.38Å; R72-N74 PolarHBondContact O-N 3.28Å; N74-K76 VanDerWaalsContact C-N 3.26Å; N74-K76 HydrophobicContact CB-CG 4.5Å; N74-K76 WeakPolarHBondContact O-CG 3.23Å; N74-K76 PolarHBondContact O-N 3.46Å
75K98.2Very high98.5Very high200 Ų20075.8 Ų75.887%0.8737%0.368SS*.THydrogen-bonded Turntrans57.335.6-179.6-53.2178.2-178.1-179.30113.1A71 R72 D73A71-K75 PolarHBondContact O-N 2.7Å; R72-K75 WeakPolarHBondContact O-CA 3.4Å; R72-K75 PolarHBondContact O-N 3.17Å; D73-K75 PolarHBondContact O-N 2.99Å
76K98.4Very high98.4Very high111 Ų11171.6 Ų71.648%0.48335%0.349SS..  trans-119.1146.4178-56.3-163.1-179.4-164.90110.9A71 N74A71-K76 CarbonylContact C-O 3.42Å; A71-K76 VanDerWaalsContact C-O 3.23Å; A71-K76 PolarHBondContact O-N 2.98Å; A71-K76 VanDerWaalsContact O-O 3.06Å; N74-K76 VanDerWaalsContact C-N 3.26Å; N74-K76 HydrophobicContact CB-CG 4.5Å; N74-K76 WeakPolarHBondContact O-CG 3.23Å; N74-K76 PolarHBondContact O-N 3.46Å
77T98.1Very high98.4Very high154 Ų15469.7 Ų69.795%0.94534%0.341SS*.SBendtrans-95.3-11175.956.10000113.2
78R98.8Very high98.4Very high192 Ų19270 Ų7073%0.72534%0.342SS*.SBendtrans-114130.8-178.1-175178.3-65.2133.91.2110.9H83R78-H83 PolarHBondContact O-CE1 2.88Å; R78-H83 VanDerWaalsContact O-CE1 3.24Å; R78-H83 PolarHBondContact O-ND1 3.38Å
79I98.8Very high98.4Very high62 Ų6271.1 Ų71.132%0.31834%0.339SS..  trans-69.5132.2171.3-60.5176.6000109.5L64 A67 A71 H83 L84L64-I79 HydrophobicContact CD2-CD1 4Å; A67-I79 HydrophobicContact CB-CD1 4.15Å; A67-I79 HydrophobicContact CB-CG2 4.03Å; A71-I79 HydrophobicContact CB-CG1 4.39Å; I79-H83 HydrophobicContact CG2-CB 4.29Å; I79-L84 HydrophobicContact CG2-CD2 4.21Å; I79-L84 HydrophobicContact CG2-CG 4.1Å
80I98.7Very high98.3Very high62 Ų6274.6 Ų74.632%0.31836%0.358SS..  trans-126.9168.5173.364.7167.1000109.2R82 H83 L84I80-R82 HydrophobicContact CD1-CB 3.96Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.5Å; I80-R82 VanDerWaalsContact O-N 3.09Å; I80-H83 PolarHBondContact N-ND1 3.5Å; I80-H83 PolarHBondContact O-N 3.09Å; I80-L84 PolarHBondContact O-N 2.89Å
81P98.8Very high98.3Very high53 Ų5376.3 Ų76.334%0.34437%0.365SS..Hα-helixtrans-55.6-32-178-28.336.6000114.8H83 L84 Q85 I103 A104 Q105P81-H83 VanDerWaalsContact C-N 3.33Å; P81-H83 PolarHBondContact O-N 3.3Å; P81-L84 PolarHBondContact O-N 2.94Å; P81-Q85 PolarHBondContact O-N 3.36Å; P81-I103 HydrophobicContact CB-CG2 4.45Å; P81-A104 WeakPolarHBondContact CB-O 3.41Å; P81-Q105 HydrophobicContact CB-CB 3.95Å; P81-Q105 HydrophobicContact CG-CB 4.16Å
82R98.6Very high98.3Very high66 Ų6684 Ų8425%0.24940%0.401CS..Hα-helixtrans-58-42.3172.3179.956.5176177.8-0.5112.7I80 Q85 L86 G106 V108I80-R82 HydrophobicContact CD1-CB 3.96Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.5Å; I80-R82 VanDerWaalsContact O-N 3.09Å; R82-Q85 PolarHBondContact O-N 3.46Å; R82-L86 HydrophobicContact CG-CD1 4.24Å; R82-L86 HydrophobicContact CG-CG 4.45Å; R82-L86 VanDerWaalsContact O-CG 3.32Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-G106 WeakPolarHBondContact CD-O 3.45Å; R82-G106 PolarHBondContact NH1-O 3.46Å; R82-V108 VanDerWaalsContact CZ-O 3.22Å; R82-V108 VanDerWaalsContact NH1-N 3.14Å; R82-V108 PolarHBondContact NH1-O 2.94Å; R82-V108 PolarHBondContact NH2-O 3.4Å
83H98.8Very high98.3Very high3 Ų383.1 Ų83.11%0.01440%0.404CS..Hα-helixtrans-69.3-37.3-179-53155000111.3A67 A70 A71 R78 I79 I80 P81 L86 A87A67-H83 HydrophobicContact CB-CB 4.46Å; A70-H83 HydrophobicContact CB-CB 4.22Å; A71-H83 WeakPolarHBondContact CA-ND1 3.34Å; A71-H83 WeakPolarHBondContact CB-ND1 3.31Å; R78-H83 PolarHBondContact O-CE1 2.88Å; R78-H83 VanDerWaalsContact O-CE1 3.24Å; R78-H83 PolarHBondContact O-ND1 3.38Å; I79-H83 HydrophobicContact CG2-CB 4.29Å; I80-H83 PolarHBondContact N-ND1 3.5Å; I80-H83 PolarHBondContact O-N 3.09Å; P81-H83 VanDerWaalsContact C-N 3.33Å; P81-H83 PolarHBondContact O-N 3.3Å; H83-L86 PolarHBondContact O-N 3.06Å; H83-A87 WeakPolarHBondContact O-CB 3.47Å; H83-A87 PolarHBondContact O-N 3.06Å
84L98.8Very high98.4Very high52 Ų5277.3 Ų77.327%0.27237%0.373SS..Hα-helixtrans-61-45.2172.3-66.3170.8000111.2I63 A67 I79 I80 P81 A87 I88 I103I63-L84 HydrophobicContact CG2-CD2 3.78Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; A67-L84 HydrophobicContact CB-CG 4.49Å; I79-L84 HydrophobicContact CG2-CD2 4.21Å; I79-L84 HydrophobicContact CG2-CG 4.1Å; I80-L84 PolarHBondContact O-N 2.89Å; P81-L84 PolarHBondContact O-N 2.94Å; L84-A87 PolarHBondContact O-N 3.26Å; L84-I88 WeakPolarHBondContact O-CB 3.46Å; L84-I88 WeakPolarHBondContact O-CD1 3.43Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.01Å; L84-I103 HydrophobicContact CB-CD1 4.5Å
85Q98.6Very high98.4Very high17 Ų1776.5 Ų76.58%0.07937%0.368CS..Hα-helixtrans-62.6-45176.9-178.775.3-100112.2P81 R82 R89 I103 G106 G107P81-Q85 PolarHBondContact O-N 3.36Å; R82-Q85 PolarHBondContact O-N 3.46Å; Q85-R89 HydrophobicContact CG-CG 4.19Å; Q85-R89 WeakPolarHBondContact O-CB 3.48Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.48Å; Q85-R89 PolarHBondContact O-N 3.2Å; Q85-I103 HydrophobicContact CB-CD1 4.45Å; Q85-G106 WeakPolarHBondContact CB-O 3.35Å; Q85-G106 WeakPolarHBondContact CG-O 3.47Å; Q85-G107 WeakPolarHBondContact CG-O 3.39Å; Q85-G107 PolarHBondContact NE2-O 3.15Å
86L98.4Very high98.4Very high23 Ų2375.5 Ų75.512%0.1236%0.364CS..Hα-helixtrans-62.2-45.2178.1-70.3178000111.3A70 R82 H83 N90 L109A70-L86 HydrophobicContact CB-CB 4.23Å; R82-L86 HydrophobicContact CG-CD1 4.24Å; R82-L86 HydrophobicContact CG-CG 4.45Å; R82-L86 VanDerWaalsContact O-CG 3.32Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.45Å; H83-L86 PolarHBondContact O-N 3.06Å; L86-N90 VanDerWaalsContact O-CB 3.31Å; L86-N90 WeakPolarHBondContact O-CB 3.22Å; L86-N90 PolarHBondContact O-N 2.92Å; L86-N90 VanDerWaalsContact O-N 3.15Å; L86-N90 PolarHBondContact O-ND2 3.48Å; L86-L109 HydrophobicContact CD2-CD2 3.7Å
87A98.4Very high98.4Very high7 Ų775.4 Ų75.46%0.05837%0.368CS..Hα-helixtrans-59.2-52.5176.800000111.9L66 A67 H83 L84 R89 D91L66-A87 HydrophobicContact CB-CB 3.63Å; A67-A87 HydrophobicContact CB-CB 4.05Å; H83-A87 WeakPolarHBondContact O-CB 3.47Å; H83-A87 PolarHBondContact O-N 3.06Å; L84-A87 PolarHBondContact O-N 3.26Å; A87-R89 PolarHBondContact O-N 3.01Å; A87-D91 WeakPolarHBondContact O-CB 3.4Å; A87-D91 PolarHBondContact O-N 2.76Å
88I98.4Very high98.4Very high7 Ų770 Ų704%0.03633%0.333CS..Hα-helixtrans-67.8-37.2-175.3-71.5161.7000112.2I63 L84 L94 N95 L98 I103I63-I88 HydrophobicContact CG2-CD1 4.3Å; I63-I88 HydrophobicContact CG2-CG1 4.45Å; L84-I88 WeakPolarHBondContact O-CB 3.46Å; L84-I88 WeakPolarHBondContact O-CD1 3.43Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.01Å; I88-L94 HydrophobicContact CG2-CB 4.38Å; I88-N95 WeakPolarHBondContact O-CA 3.45Å; I88-N95 WeakPolarHBondContact O-CB 3.43Å; I88-N95 PolarHBondContact O-N 3.4Å; I88-N95 VanDerWaalsContact O-N 3.12Å; I88-L98 HydrophobicContact CD1-CD1 3.58Å; I88-L98 HydrophobicContact CG1-CD1 3.96Å; I88-L98 HydrophobicContact CG2-CB 3.98Å; I88-L98 HydrophobicContact CG2-CD1 3.84Å; I88-L98 HydrophobicContact CG2-CG 4.46Å; I88-I103 HydrophobicContact CB-CD1 4.49Å; I88-I103 HydrophobicContact CD1-CD1 3.44Å; I88-I103 VanDerWaalsContact CD1-CD1 3.44Å
89R98.4Very high98.4Very high46 Ų4663.1 Ų63.117%0.17432%0.322CS..Hα-helixtrans-84-22.9-175.8-61.4-57.8175-160.4-4.9113.9Q85 A87 N95 L98 V101 L109Q85-R89 HydrophobicContact CG-CG 4.19Å; Q85-R89 WeakPolarHBondContact O-CB 3.48Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.48Å; Q85-R89 PolarHBondContact O-N 3.2Å; A87-R89 PolarHBondContact O-N 3.01Å; R89-N95 WeakPolarHBondContact CD-OD1 3.34Å; R89-N95 PolarHBondContact NH1-OD1 2.98Å; R89-L98 PolarHBondContact NH1-O 3.02Å; R89-L98 VanDerWaalsContact NH1-O 3.14Å; R89-L98 PolarHBondContact NH2-O 2.66Å; R89-V101 PolarHBondContact NH2-O 3.26Å; R89-L109 HydrophobicContact CB-CD1 3.68Å; R89-L109 HydrophobicContact CB-CD2 3.95Å; R89-L109 HydrophobicContact CB-CG 3.65Å
90N97.5Very high98.3Very high118 Ų11870.4 Ų70.463%0.63135%0.352SS*.Hα-helixtrans-84.8-18.9174.5-73.7-45.6000113L86L86-N90 VanDerWaalsContact O-CB 3.31Å; L86-N90 WeakPolarHBondContact O-CB 3.22Å; L86-N90 PolarHBondContact O-N 2.92Å; L86-N90 VanDerWaalsContact O-N 3.15Å; L86-N90 PolarHBondContact O-ND2 3.48Å
91D98.3Very high98.3Very high47 Ų4770.9 Ų70.925%0.25136%0.357SS..SBendtrans-92.1128.4174.3-179-97.8000111.4L66 A87 E93 L94 N95L66-D91 HydrophobicContact CD1-CB 4.03Å; A87-D91 WeakPolarHBondContact O-CB 3.4Å; A87-D91 PolarHBondContact O-N 2.76Å; D91-E93 PolarHBondContact OD1-N 3.3Å; D91-L94 HydrophobicContact CB-CB 4.13Å; D91-L94 HydrophobicContact CB-CD1 4.13Å; D91-L94 HydrophobicContact CB-CG 4.36Å; D91-L94 VanDerWaalsContact OD1-CB 3.31Å; D91-L94 WeakPolarHBondContact OD1-CB 3.36Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.43Å; D91-L94 PolarHBondContact OD1-N 3.26Å; D91-N95 WeakPolarHBondContact O-CB 3.16Å; D91-N95 PolarHBondContact O-N 3.04Å
92E98Very high98.3Very high166 Ų16674.8 Ų74.878%0.77638%0.38SS*.Hα-helixtrans-66.2-44.2-173.6-173.4179.9170.100112.2K96E92-K96 WeakPolarHBondContact O-CB 3.46Å; E92-K96 PolarHBondContact O-N 3.34Å
93E98.4Very high98.3Very high150 Ų15073.3 Ų73.370%0.70138%0.377SS*.Hα-helixtrans-71.7-44.7-174.6-60.9-167.6148.500111.2D91 K96 L97D91-E93 PolarHBondContact OD1-N 3.3Å; E93-K96 PolarHBondContact O-N 3.02Å; E93-L97 WeakPolarHBondContact O-CB 3.15Å; E93-L97 PolarHBondContact O-N 3.45Å
94L98.4Very high98.3Very high7 Ų777 Ų774%0.03741%0.408CS..Hα-helixtrans-67.4-38.8175.5-67.3176.8000111.7I63 L66 I88 D91 K96 L97 L98I63-L94 HydrophobicContact CD1-CD2 4.18Å; I63-L94 HydrophobicContact CG1-CD1 3.86Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; L66-L94 HydrophobicContact CD1-CD1 3.72Å; I88-L94 HydrophobicContact CG2-CB 4.38Å; D91-L94 HydrophobicContact CB-CB 4.13Å; D91-L94 HydrophobicContact CB-CD1 4.13Å; D91-L94 HydrophobicContact CB-CG 4.36Å; D91-L94 VanDerWaalsContact OD1-CB 3.31Å; D91-L94 WeakPolarHBondContact OD1-CB 3.36Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.43Å; D91-L94 PolarHBondContact OD1-N 3.26Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3.01Å; L94-L97 PolarHBondContact O-N 3.42Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 PolarHBondContact O-N 3.46Å
95N98.1Very high98.3Very high63 Ų6382.6 Ų82.634%0.33743%0.433SS..Hα-helixtrans-63.1-38.6175.9-175.344.5000111I88 R89 D91 L98 G99I88-N95 WeakPolarHBondContact O-CA 3.45Å; I88-N95 WeakPolarHBondContact O-CB 3.43Å; I88-N95 PolarHBondContact O-N 3.4Å; I88-N95 VanDerWaalsContact O-N 3.12Å; R89-N95 WeakPolarHBondContact CD-OD1 3.34Å; R89-N95 PolarHBondContact NH1-OD1 2.98Å; D91-N95 WeakPolarHBondContact O-CB 3.16Å; D91-N95 PolarHBondContact O-N 3.04Å; N95-L98 CarbonylContact O-C 3.51Å; N95-G99 WeakPolarHBondContact O-CA 3.45Å; N95-G99 PolarHBondContact O-N 2.8Å
96K98.4Very high98.2Very high180 Ų18081.9 Ų81.978%0.78343%0.43SS*.Hα-helixtrans-68.1-48.3174.5-174.7176.2-178.6177.70111.6E92 E93 L94 L98 G99E92-K96 WeakPolarHBondContact O-CB 3.46Å; E92-K96 PolarHBondContact O-N 3.34Å; E93-K96 PolarHBondContact O-N 3.02Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3.01Å; K96-L98 VanDerWaalsContact C-N 3.28Å; K96-L98 PolarHBondContact O-N 3.09Å; K96-G99 PolarHBondContact O-N 3.14Å
97L98.3Very high98.2Very high109 Ų10983.3 Ų83.357%0.57145%0.45SS*.Hα-helixtrans-59.2-39.7178.8-179.162.2000111.8L59 E93 L94L59-L97 HydrophobicContact CD2-CD2 4.35Å; E93-L97 WeakPolarHBondContact O-CB 3.15Å; E93-L97 PolarHBondContact O-N 3.45Å; L94-L97 PolarHBondContact O-N 3.42Å
98L98.2Very high98.2Very high39 Ų3988.3 Ų88.320%0.20448%0.479CS..THydrogen-bonded Turntrans-10826-177.3-57.5178000112.7I63 I88 R89 L94 N95 K96 K100 V101I63-L98 HydrophobicContact CD1-CD1 4.45Å; I88-L98 HydrophobicContact CD1-CD1 3.58Å; I88-L98 HydrophobicContact CG1-CD1 3.96Å; I88-L98 HydrophobicContact CG2-CB 3.98Å; I88-L98 HydrophobicContact CG2-CD1 3.84Å; I88-L98 HydrophobicContact CG2-CG 4.46Å; R89-L98 PolarHBondContact NH1-O 3.02Å; R89-L98 VanDerWaalsContact NH1-O 3.14Å; R89-L98 PolarHBondContact NH2-O 2.66Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 PolarHBondContact O-N 3.46Å; N95-L98 CarbonylContact O-C 3.51Å; K96-L98 VanDerWaalsContact C-N 3.28Å; K96-L98 PolarHBondContact O-N 3.09Å; L98-K100 PolarHBondContact O-N 2.98Å; L98-V101 HydrophobicContact CB-CB 4.21Å; L98-V101 HydrophobicContact CB-CG2 4.4Å; L98-V101 HydrophobicContact CD2-CB 4.41Å; L98-V101 HydrophobicContact CD2-CG2 3.96Å; L98-V101 PolarHBondContact O-N 3.07Å; L98-V101 VanDerWaalsContact O-N 3.13Å
99G97.6Very high98.1Very high48 Ų4890.6 Ų90.650%0.49549%0.491SS..THydrogen-bonded Turntrans-62.2-29.1-17600000113.8N95 K96N95-G99 WeakPolarHBondContact O-CA 3.45Å; N95-G99 PolarHBondContact O-N 2.8Å; K96-G99 PolarHBondContact O-N 3.14Å
100K98.3Very high97.9Very high216 Ų21693.9 Ų93.994%0.93952%0.519SS*.THydrogen-bonded Turntrans-104.913.6178.9-61.1-176.4-179.1179.80113.7L98L98-K100 PolarHBondContact O-N 2.98Å
101V98.4Very high97.8Very high71 Ų7194.2 Ų94.243%0.4352%0.521SS..  trans-105.2131-179.6177.40000109.8R89 L98R89-V101 PolarHBondContact NH2-O 3.26Å; L98-V101 HydrophobicContact CB-CB 4.21Å; L98-V101 HydrophobicContact CB-CG2 4.4Å; L98-V101 HydrophobicContact CD2-CB 4.41Å; L98-V101 HydrophobicContact CD2-CG2 3.96Å; L98-V101 PolarHBondContact O-N 3.07Å; L98-V101 VanDerWaalsContact O-N 3.13Å
102T98.4Very high97.6Very high135 Ų13597.3 Ų97.383%0.82854%0.536SS*.  trans-96125.7172.5-56.90000110.2
103I98.2Very high97.5Very high35 Ų3595.1 Ų95.118%0.17953%0.526CS..  trans-93.8109.8173.9-52.5-175.8000108.3P81 L84 Q85 I88 Q105 G106P81-I103 HydrophobicContact CB-CG2 4.45Å; L84-I103 HydrophobicContact CB-CD1 4.5Å; Q85-I103 HydrophobicContact CB-CD1 4.45Å; I88-I103 HydrophobicContact CB-CD1 4.49Å; I88-I103 HydrophobicContact CD1-CD1 3.44Å; I88-I103 VanDerWaalsContact CD1-CD1 3.44Å; I103-Q105 PolarHBondContact O-N 3.28Å; I103-G106 PolarHBondContact O-N 3Å; I103-G106 VanDerWaalsContact O-N 3.08Å
104A98.6Very high97.3Very high80 Ų8091.8 Ų91.866%0.66152%0.524SS*.THydrogen-bonded Turntrans-56.3135.7175.600000110.3P81 G106P81-A104 WeakPolarHBondContact CB-O 3.41Å; A104-G106 PolarHBondContact O-N 3.02Å
105Q98.5Very high97.1Very high171 Ų17197.6 Ų97.680%0.79956%0.559SS**THydrogen-bonded Turntrans61.118-177.3-56.6-63.2-42.200115P81 I103P81-Q105 HydrophobicContact CB-CB 3.95Å; P81-Q105 HydrophobicContact CG-CB 4.16Å; I103-Q105 PolarHBondContact O-N 3.28Å
106G97.9Very high96.9Very high2 Ų2100.8 Ų100.82%0.02158%0.576CS.*  trans-80.6-29.7179.700000115R82 Q85 I103 A104R82-G106 WeakPolarHBondContact CD-O 3.45Å; R82-G106 PolarHBondContact NH1-O 3.46Å; Q85-G106 WeakPolarHBondContact CB-O 3.35Å; Q85-G106 WeakPolarHBondContact CG-O 3.47Å; I103-G106 PolarHBondContact O-N 3Å; I103-G106 VanDerWaalsContact O-N 3.08Å; A104-G106 PolarHBondContact O-N 3.02Å
107G97.9Very high96.6Very high52 Ų5296.8 Ų96.854%0.53656%0.562SS.*  trans63.4-156.7-168.100000112.5Q85Q85-G107 WeakPolarHBondContact CG-O 3.39Å; Q85-G107 PolarHBondContact NE2-O 3.15Å
108V97.9Very high96.3Very high112 Ų11297.1 Ų97.168%0.67957%0.571SS**  trans-128.1160.6-179.2-63.20000112R82R82-V108 VanDerWaalsContact CZ-O 3.22Å; R82-V108 VanDerWaalsContact NH1-N 3.14Å; R82-V108 PolarHBondContact NH1-O 2.94Å; R82-V108 PolarHBondContact NH2-O 3.4Å
109L96.4Very high95.6Very high55 Ų55104.6 Ų104.629%0.28860%0.602SS.*  trans-60.9136.5171.4-68.7-176.6000109.9L86 R89 N111L86-L109 HydrophobicContact CD2-CD2 3.7Å; R89-L109 HydrophobicContact CB-CD1 3.68Å; R89-L109 HydrophobicContact CB-CD2 3.95Å; R89-L109 HydrophobicContact CB-CG 3.65Å; L109-N111 PolarHBondContact O-N 3.07Å; L109-N111 VanDerWaalsContact O-N 3.12Å
110P94.7Very high94.3Very high116 Ų116112.2 Ų112.275%0.75362%0.621SS**  trans-61.7115.2172-19.432.7000109.6
111N94.7Very high92.6Very high124 Ų124108 Ų10866%0.66361%0.614SS**  trans-149.9126.4175.9-177.144.3000109.3L109L109-N111 PolarHBondContact O-N 3.07Å; L109-N111 VanDerWaalsContact O-N 3.12Å
112I95.2Very high90.6Very high113 Ų113114 Ų11458%0.57964%0.637SS**  trans-118.2122.3174.3-63.2165.2000106.9A114 L116 L117I112-A114 PolarHBondContact O-N 3.02Å; I112-L116 HydrophobicContact CG2-CB 3.92Å; I112-L117 HydrophobicContact CB-CD2 4.35Å; I112-L117 HydrophobicContact CG2-CD2 3.78Å; I112-L117 HydrophobicContact CG2-CG 4.32Å
113Q94.9Very high88.4Confident120 Ų120112 Ų11256%0.56163%0.629SS**  trans-59.6134.7175.4-67.1-65-16.500109.6V115 L116Q113-V115 HydrophobicContact CB-CG1 4.13Å; Q113-V115 PolarHBondContact O-N 3.37Å; Q113-L116 HydrophobicContact CB-CD1 4.21Å; Q113-L116 HydrophobicContact CB-CG 4.27Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 3.13Å
114A93.3Very high86.1Confident79 Ų79119 Ų11965%0.65366%0.661SS**G310 helixtrans-55.7-30.7-172.900000113.6I112 L116 L117I112-A114 PolarHBondContact O-N 3.02Å; A114-L116 PolarHBondContact O-N 2.9Å; A114-L117 WeakPolarHBondContact O-CB 3.49Å; A114-L117 PolarHBondContact O-N 3.47Å; A114-L117 VanDerWaalsContact O-N 3.17Å
115V95.1Very high83.9Confident130 Ų130125.2 Ų125.279%0.78867%0.673SS**G310 helixtrans-62.9-23.8176.168.90000113.7Q113Q113-V115 HydrophobicContact CB-CG1 4.13Å; Q113-V115 PolarHBondContact O-N 3.37Å
116L94.1Very high81.5Confident129 Ų129121.9 Ų121.968%0.67567%0.674SS**G310 helixtrans-88.7-7.6180-56.8177.5000112.6I112 Q113 A114I112-L116 HydrophobicContact CG2-CB 3.92Å; Q113-L116 HydrophobicContact CB-CD1 4.21Å; Q113-L116 HydrophobicContact CB-CG 4.27Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 3.13Å; A114-L116 PolarHBondContact O-N 2.9Å
117L92.2Very high79Confident96 Ų96131.5 Ų131.550%0.50372%0.716SS.*SBendtrans-74.7142.5179-63.9175.7000110.1I112 A114 K119I112-L117 HydrophobicContact CB-CD2 4.35Å; I112-L117 HydrophobicContact CG2-CD2 3.78Å; I112-L117 HydrophobicContact CG2-CG 4.32Å; A114-L117 WeakPolarHBondContact O-CB 3.49Å; A114-L117 PolarHBondContact O-N 3.47Å; A114-L117 VanDerWaalsContact O-N 3.17Å; L117-K119 PolarHBondContact O-N 2.87Å
118P91.8Very high76.5Confident116 Ų116134.7 Ų134.775%0.75373%0.73SS**PPolyproline II helixtrans-52.8138.2170.3-23.132.4000110.1K120P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.13Å
119K83.6Confident73.7Confident196 Ų196142.6 Ų142.685%0.85276%0.755SS**PPolyproline II helixtrans-57.6123.5169.3-69.9-175.9179-1800107.2L117 T121L117-K119 PolarHBondContact O-N 2.87Å; K119-T121 PolarHBondContact O-N 2.74Å
120K70.9Confident72.6Confident208 Ų208147 Ų14790%0.90478%0.778SS**  trans-58.6103175.7-79.6-179173.1179.70108.8P118P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.13Å
121T62.6Low71.4Confident129 Ų129148.6 Ų148.679%0.79178%0.78SS**  trans-83.1126.3152.345.20000106.5K119 S123K119-T121 PolarHBondContact O-N 2.74Å; T121-S123 PolarHBondContact O-N 3.21Å
122E55.2Low70.1Confident195 Ų195150 Ų15091%0.91179%0.786SS**SBendtrans-54.8109.1-174.5-66.7-173.1154.600112.3
123S53.8Low68.6Low94 Ų94152.2 Ų152.266%0.65780%0.798SS**  trans173.3145.3137.743.90000110.3T121T121-S123 PolarHBondContact O-N 3.21Å
124H49.2Very low67Low182 Ų182154.2 Ų154.284%0.84381%0.813SS**  trans102.3108.7173.4-55.1-65.9000117A126H124-A126 PolarHBondContact O-N 2.93Å
125K51.1Low65.2Low210 Ų210159.2 Ų159.291%0.91382%0.824SS**  trans-44.4120.9-179.8-72.5172.4171.6176.30112.6K127K125-K127 PolarHBondContact O-N 2.83Å
126A49.1Very low63.1Low101 Ų101161.3 Ų161.384%0.83583%0.826SS**PPolyproline II helixtrans-66.3126.5169.900000110.6H124H124-A126 PolarHBondContact O-N 2.93Å
127K45.4Very low60.7Low205 Ų205163.8 Ų163.889%0.89184%0.838SS**PPolyproline II helixtrans-76.8143.6156.6-90.1-178.5173.71780108.5K125K125-K127 PolarHBondContact O-N 2.83Å
128S45.3Very low58.1Low119 Ų119169.4 Ų169.483%0.83287%0.866SS**PPolyproline II helixtrans-53148.8-16160.30000115.3
129K39.3Very low55Low278 Ų278174.3 Ų174.3100%1.20988%0.876SS**  trans-52.70166.5-70.3177.2173.9179.50112.5

Retrieved 129 of 129 residues in 197.8 ms (Link to these results)