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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 , UniProt , Accession A0A077ZHJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 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
1M48.9Very low61.9Low243 Ų243146.2 Ų146.2100%1.19782%0.816SS**  0940-68.9-173.5179.900109.8
2T60.9Low62.9Low138 Ų138139.1 Ų139.185%0.84780%0.8SS**  trans-145.474.4168.946.70000109.5R4T2-R4 PolarHBondContact O-N 3.36Å
3G60.9Low64.2Low85 Ų85145 Ų14588%0.87681%0.811SS**  trans-6883.1163.100000108.7G5G3-G5 PolarHBondContact O-N 3.05Å
4R59.7Low65.7Low208 Ų208142.3 Ų142.379%0.78581%0.806SS**  trans-62.1105.1176-169.1165.4176.6122.3-3.2107.7T2 G8T2-R4 PolarHBondContact O-N 3.36Å; R4-G8 PolarHBondContact NE-O 3.46Å; R4-G8 PolarHBondContact NH2-O 3.15Å
5G63.2Low67.5Low54 Ų54142.5 Ų142.556%0.55780%0.795SS**  trans-51.7148.7-177.200000112.3G3 G7 G8G3-G5 PolarHBondContact O-N 3.05Å; G5-G7 PolarHBondContact O-N 2.88Å; G5-G8 PolarHBondContact O-N 3.31Å; G5-G8 VanDerWaalsContact O-N 3.14Å
6K66.6Low69.3Low232 Ų232137.7 Ų137.7100%1.00977%0.774SS**THydrogen-bonded Turntrans-49.9-7.8-174.3-111.7174.5177.1173.20116.3
7G66.5Low70.9Confident75 Ų75135 Ų13577%0.77375%0.749SS**THydrogen-bonded Turntrans-98.6-3.8-179.500000116.6G5G5-G7 PolarHBondContact O-N 2.88Å
8G60Low72.4Confident31 Ų31128.4 Ų128.432%0.3271%0.714SS.*  trans-101.111.2-164.600000118.4R4 G5R4-G8 PolarHBondContact NE-O 3.46Å; R4-G8 PolarHBondContact NH2-O 3.15Å; G5-G8 PolarHBondContact O-N 3.31Å; G5-G8 VanDerWaalsContact O-N 3.14Å
9K61.7Low73.8Confident193 Ų193125.5 Ų125.584%0.83970%0.703SS**SBendtrans-90.7134.6170.9-86.6-176.1176.5179.90109.5K11K9-K11 PolarHBondContact O-N 2.89Å; K9-K11 VanDerWaalsContact O-N 3.1Å
10V64.1Low74.9Confident147 Ų147128 Ų12889%0.89170%0.7SS**  trans-42.8118.6173.2-179.70000108.4G12V10-G12 PolarHBondContact O-N 3.31Å
11K68.5Low76Confident202 Ų202123.9 Ų123.988%0.87868%0.684SS**  trans-65.895.1-175.6-75.3-179.3179.7172.60108.7K9K9-K11 PolarHBondContact O-N 2.89Å; K9-K11 VanDerWaalsContact O-N 3.1Å
12G73.4Confident78.4Confident61 Ų61115.4 Ų115.463%0.62966%0.659SS**  trans-55.5160.6164.600000110.7V10 S14V10-G12 PolarHBondContact O-N 3.31Å; G12-S14 PolarHBondContact O-N 3.31Å
13K80Confident80.2Confident216 Ų216110 Ų11094%0.93963%0.625SS**  trans-50115.4178.6-76-179179.5176.10109.7K15K13-K15 PolarHBondContact O-N 3.2Å
14S86Confident81.9Confident107 Ų107114.1 Ų114.175%0.74862%0.621SS**PPolyproline II helixtrans-68.6125.9-177.561.60000109.6G12 S16G12-S14 PolarHBondContact O-N 3.31Å; S14-S16 PolarHBondContact O-N 3.36Å
15K92.4Very high83.8Confident145 Ų145106.9 Ų106.963%0.6360%0.595SS**PPolyproline II helixtrans-64.8132.8172.7-67.2-172.3178.5-1750109.5K13 R20K13-K15 PolarHBondContact O-N 3.2Å; K15-R20 HydrophobicContact CB-CG 3.91Å; K15-R20 PolarHBondContact O-NE 2.95Å; K15-R20 PolarHBondContact O-NH2 3.22Å
16S96Very high85.5Confident66 Ų66106.7 Ų106.746%0.46258%0.584SS.*PPolyproline II helixtrans-63.2155.6175.374.70000110.9S14 S18 S19 R20S14-S16 PolarHBondContact O-N 3.36Å; S16-S18 PolarHBondContact O-N 3.16Å; S16-S19 PolarHBondContact O-N 3.27Å; S16-S19 WeakPolarHBondContact OG-CB 3.48Å; S16-S19 PolarHBondContact OG-N 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.4Å; S16-R20 PolarHBondContact O-N 3.25Å
17R97.1Very high87Confident92 Ų9295.6 Ų95.635%0.34754%0.536SS..Hα-helixtrans-60.8-35.6175.8-73.7-170.7-77.6157.5-5.2112.3R20 A21 V27 H31R17-R20 PolarHBondContact O-N 2.91Å; R17-A21 WeakPolarHBondContact O-CB 3.43Å; R17-A21 PolarHBondContact O-N 2.92Å; R17-V27 HydrophobicContact CB-CB 3.99Å; R17-V27 HydrophobicContact CB-CG1 3.74Å; R17-H31 PolarHBondContact NH1-ND1 2.85Å; R17-H31 VanDerWaalsContact NH2-CB 3.34Å; R17-H31 PolarHBondContact NH2-ND1 2.72Å; R17-H31 VanDerWaalsContact NH2-ND1 3.14Å
18S98.1Very high88.5Confident17 Ų1793.6 Ų93.612%0.11952%0.515CS..Hα-helixtrans-61.2-50.8173.3-58.70000111.7S16 R20 A21 G22 L23 F25 P26 V27S16-S18 PolarHBondContact O-N 3.16Å; S18-R20 VanDerWaalsContact C-N 3.29Å; S18-R20 PolarHBondContact O-N 3.26Å; S18-A21 CarbonylContact O-C 3.44Å; S18-A21 PolarHBondContact O-N 2.91Å; S18-G22 PolarHBondContact O-N 2.86Å; S18-L23 WeakPolarHBondContact CB-O 3.44Å; S18-L23 PolarHBondContact O-N 3.44Å; S18-F25 WeakPolarHBondContact CB-O 3.48Å; S18-F25 PolarHBondContact OG-O 3.42Å; S18-P26 WeakPolarHBondContact OG-CA 3.25Å; S18-V27 PolarHBondContact OG-N 3.3Å
19S97.4Very high90.3Very high72 Ų7299.1 Ų99.150%0.50353%0.526SS..Hα-helixtrans-61.3-35.6178169.50000112.8S16 A21S16-S19 PolarHBondContact O-N 3.27Å; S16-S19 WeakPolarHBondContact OG-CB 3.48Å; S16-S19 PolarHBondContact OG-N 3.22Å; S19-A21 VanDerWaalsContact C-N 3.32Å
20R97.2Very high92.1Very high175 Ų17590.6 Ų90.666%0.6649%0.49SS*.Hα-helixtrans-70.1-29.1174.7-67.8179.5-155.4-1711.5113.2K15 S16 R17 S18K15-R20 HydrophobicContact CB-CG 3.91Å; K15-R20 PolarHBondContact O-NE 2.95Å; K15-R20 PolarHBondContact O-NH2 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.4Å; S16-R20 PolarHBondContact O-N 3.25Å; R17-R20 PolarHBondContact O-N 2.91Å; S18-R20 VanDerWaalsContact C-N 3.29Å; S18-R20 PolarHBondContact O-N 3.26Å
21A97.8Very high93.7Very high42 Ų4285.1 Ų85.135%0.34746%0.455SS..Hα-helixtrans-89.8-5.4179.400000113.3R17 S18 S19 L23 V49R17-A21 WeakPolarHBondContact O-CB 3.43Å; R17-A21 PolarHBondContact O-N 2.92Å; S18-A21 CarbonylContact O-C 3.44Å; S18-A21 PolarHBondContact O-N 2.91Å; S19-A21 VanDerWaalsContact C-N 3.32Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 HydrophobicContact CB-CD1 3.9Å; A21-L23 HydrophobicContact CB-CG 3.95Å; A21-V49 HydrophobicContact CB-CG1 3.73Å
22G98.2Very high95.1Very high65 Ų6581.2 Ų81.267%0.6743%0.434SS*.THydrogen-bonded Turntrans71.822.4-175.300000114.1S18S18-G22 PolarHBondContact O-N 2.86Å
23L98.5Very high96.3Very high26 Ų2682.9 Ų82.914%0.13643%0.428CS..  trans-105.7140.9-174.7-61.9176.3000111.5S18 A21 V27 V49 A52 A53 E56S18-L23 WeakPolarHBondContact CB-O 3.44Å; S18-L23 PolarHBondContact O-N 3.44Å; A21-L23 VanDerWaalsContact C-N 3.3Å; A21-L23 HydrophobicContact CB-CD1 3.9Å; A21-L23 HydrophobicContact CB-CG 3.95Å; L23-V27 HydrophobicContact CD1-CG2 3.83Å; L23-V49 HydrophobicContact CD1-CG1 4.24Å; L23-A52 HydrophobicContact CD1-CB 3.79Å; L23-A53 HydrophobicContact CD1-CB 4.1Å; L23-A53 HydrophobicContact CD2-CB 3.81Å; L23-E56 WeakPolarHBondContact CA-OE2 3.24Å; L23-E56 WeakPolarHBondContact CB-OE2 3.36Å
24Q98.5Very high97.2Very high171 Ų17174 Ų7480%0.79939%0.391SS*.SBendtrans-75.9-31.3166.9-58.8-56.9-36.300111.4E56Q24-E56 PolarHBondContact N-OE1 3.12Å; Q24-E56 VanDerWaalsContact N-OE1 3.11Å; Q24-E56 PolarHBondContact N-OE2 3.49Å
25F98.3Very high97.8Very high56 Ų5675.1 Ų75.125%0.24638%0.379CS..SBendtrans-72.3148.2-177.6-90.5-118.1000113S18 V27 A52 I55 E56 T59S18-F25 WeakPolarHBondContact CB-O 3.48Å; S18-F25 PolarHBondContact OG-O 3.42Å; F25-V27 PolarHBondContact O-N 2.79Å; F25-A52 HydrophobicContact CB-CB 4.26Å; F25-I55 HydrophobicContact CD1-CB 4.25Å; F25-I55 HydrophobicContact CD1-CG2 3.81Å; F25-I55 HydrophobicContact CE1-CB 4.27Å; F25-I55 HydrophobicContact CE1-CG2 3.39Å; F25-I55 HydrophobicContact CZ-CG2 4.25Å; F25-E56 HydrophobicContact CB-CB 4.15Å; F25-E56 WeakPolarHBondContact CB-OE2 3.38Å; F25-E56 HydrophobicContact CD2-CB 3.47Å; F25-E56 VanDerWaalsContact CD2-CB 3.47Å; F25-E56 HydrophobicContact CD2-CG 3.57Å; F25-E56 HydrophobicContact CE2-CB 4Å; F25-E56 HydrophobicContact CE2-CG 4.05Å; F25-E56 HydrophobicContact CG-CB 3.83Å; F25-E56 HydrophobicContact CG-CG 4.36Å; F25-E56 PolarHBondContact N-OE2 3.23Å; F25-T59 HydrophobicContact CE2-CG2 4.41Å; F25-T59 HydrophobicContact CZ-CG2 4Å; F25-T59 VanDerWaalsContact CZ-OG1 3.32Å; F25-T59 WeakPolarHBondContact CZ-OG1 3.4Å
26P98.5Very high98Very high49 Ų4977 Ų7732%0.31838%0.382SS..  trans-8383.1-169.333.9-37.5000113.1S18 G28 R29 I30S18-P26 WeakPolarHBondContact OG-CA 3.25Å; P26-G28 PolarHBondContact O-N 2.9Å; P26-R29 HydrophobicContact CB-CB 3.81Å; P26-R29 HydrophobicContact CG-CB 3.95Å; P26-R29 WeakPolarHBondContact O-CB 3.5Å; P26-R29 PolarHBondContact O-N 3.32Å; P26-I30 PolarHBondContact O-N 3.42Å
27V98.6Very high98.1Very high0 Ų075.4 Ų75.40%038%0.376CS..Hα-helixtrans-47.9-39.6174.9177.80000112.1R17 S18 L23 F25 R29 H31 P48 V49 A52R17-V27 HydrophobicContact CB-CB 3.99Å; R17-V27 HydrophobicContact CB-CG1 3.74Å; S18-V27 PolarHBondContact OG-N 3.3Å; L23-V27 HydrophobicContact CD1-CG2 3.83Å; F25-V27 PolarHBondContact O-N 2.79Å; V27-R29 PolarHBondContact O-N 3.07Å; V27-H31 WeakPolarHBondContact O-CB 3.18Å; V27-H31 PolarHBondContact O-N 2.92Å; V27-P48 HydrophobicContact CG1-CB 4.24Å; V27-P48 HydrophobicContact CG1-CG 4.41Å; V27-V49 HydrophobicContact CG1-CG2 3.73Å; V27-A52 HydrophobicContact CG2-CB 3.8Å
28G98.1Very high98.1Very high33 Ų3377.7 Ų77.734%0.3440%0.396SS..Hα-helixtrans-58.9-46.1177.400000113.6P26 R32P26-G28 PolarHBondContact O-N 2.9Å; G28-R32 PolarHBondContact O-N 3.38Å
29R98.5Very high98.1Very high146 Ų14685.1 Ų85.155%0.55142%0.422SS*.Hα-helixtrans-70.2-45-179.9-178179.2-63.5-177.7-0.4110.6P26 V27 H31 R32 L33P26-R29 HydrophobicContact CB-CB 3.81Å; P26-R29 HydrophobicContact CG-CB 3.95Å; P26-R29 WeakPolarHBondContact O-CB 3.5Å; P26-R29 PolarHBondContact O-N 3.32Å; V27-R29 PolarHBondContact O-N 3.07Å; R29-H31 VanDerWaalsContact C-N 3.32Å; R29-H31 PolarHBondContact O-N 3.34Å; R29-R32 WeakPolarHBondContact O-CB 3.42Å; R29-R32 PolarHBondContact O-N 2.87Å; R29-R32 VanDerWaalsContact O-N 3.08Å; R29-L33 HydrophobicContact CG-CD1 4.08Å; R29-L33 HydrophobicContact CG-CG 4.42Å; R29-L33 WeakPolarHBondContact O-CG 3.48Å; R29-L33 PolarHBondContact O-N 3.44Å
30I98.4Very high98.1Very high15 Ų1584.4 Ų84.48%0.07742%0.421CS..Hα-helixtrans-60.4-42.8179.1-69167.6000110.6P26 R32 L33 L34 P48 L51 A52P26-I30 PolarHBondContact O-N 3.42Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.14Å; I30-L33 PolarHBondContact O-N 3.31Å; I30-L34 HydrophobicContact CG2-CD1 4.15Å; I30-L34 HydrophobicContact CG2-CG 4.42Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 2.88Å; I30-P48 HydrophobicContact CB-CB 4.46Å; I30-P48 HydrophobicContact CG2-CB 4.06Å; I30-L51 HydrophobicContact CG2-CB 4.24Å; I30-L51 HydrophobicContact CG2-CD2 3.83Å; I30-L51 HydrophobicContact CG2-CG 4.13Å; I30-A52 HydrophobicContact CD1-CB 3.5Å
31H98.4Very high98.1Very high32 Ų3285 Ų8515%0.14843%0.431CS..Hα-helixtrans-57.6-43.5173.7-171-166.9000112.8R17 V27 R29 R35 P48R17-H31 PolarHBondContact NH1-ND1 2.85Å; R17-H31 VanDerWaalsContact NH2-CB 3.34Å; R17-H31 PolarHBondContact NH2-ND1 2.72Å; R17-H31 VanDerWaalsContact NH2-ND1 3.14Å; V27-H31 WeakPolarHBondContact O-CB 3.18Å; V27-H31 PolarHBondContact O-N 2.92Å; R29-H31 VanDerWaalsContact C-N 3.32Å; R29-H31 PolarHBondContact O-N 3.34Å; H31-R35 PolarHBondContact NE2-NE 3.07Å; H31-R35 PolarHBondContact O-N 3Å; H31-P48 HydrophobicContact CB-CB 3.64Å; H31-P48 HydrophobicContact CB-CG 3.71Å
32R98.5Very high98.1Very high120 Ų12093.2 Ų93.245%0.45345%0.453SS..Hα-helixtrans-65.6-42.7178-178.8-176.166-1375.5111.5G28 R29 I30 R35 R36G28-R32 PolarHBondContact O-N 3.38Å; R29-R32 WeakPolarHBondContact O-CB 3.42Å; R29-R32 PolarHBondContact O-N 2.87Å; R29-R32 VanDerWaalsContact O-N 3.08Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.14Å; R32-R35 PolarHBondContact O-N 3.03Å; R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 2.87Å
33L98.5Very high98.1Very high96 Ų9691.1 Ų91.150%0.50343%0.426SS..Hα-helixtrans-63.7-43.1178.2-68.1173.3000111.3R29 I30 R35 R36 G37R29-L33 HydrophobicContact CG-CD1 4.08Å; R29-L33 HydrophobicContact CG-CG 4.42Å; R29-L33 WeakPolarHBondContact O-CG 3.48Å; R29-L33 PolarHBondContact O-N 3.44Å; I30-L33 PolarHBondContact O-N 3.31Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.34Å; L33-R36 PolarHBondContact O-N 3.22Å; L33-G37 PolarHBondContact O-N 3.05Å
34L98.3Very high98.1Very high29 Ų2992 Ų9215%0.15244%0.442CS..Hα-helixtrans-58.1-41.9174.7-72.9172000112.4I30 Y39 I43 P48 L51I30-L34 HydrophobicContact CG2-CD1 4.15Å; I30-L34 HydrophobicContact CG2-CG 4.42Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 2.88Å; L34-Y39 HydrophobicContact CD2-CD2 3.83Å; L34-Y39 HydrophobicContact CD2-CE2 3.99Å; L34-Y39 WeakPolarHBondContact O-CD2 3.06Å; L34-I43 HydrophobicContact CB-CD1 4.18Å; L34-I43 HydrophobicContact CB-CG1 4.11Å; L34-I43 HydrophobicContact CB-CG2 4.11Å; L34-I43 HydrophobicContact CD1-CG2 3.99Å; L34-P48 HydrophobicContact CD1-CB 4.18Å; L34-L51 HydrophobicContact CD1-CD2 4.2Å; L34-L51 HydrophobicContact CD2-CD2 3.88Å; L34-L51 HydrophobicContact CG-CD2 4.28Å
35R97.6Very high98.1Very high131 Ų13187.7 Ų87.749%0.49444%0.436SS..Hα-helixtrans-68.3-39.4176.3-73.7-175.2176.3-91.2-4.9113.1H31 R32 L33 G37 I43H31-R35 PolarHBondContact NE2-NE 3.07Å; H31-R35 PolarHBondContact O-N 3Å; R32-R35 PolarHBondContact O-N 3.03Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.34Å; R35-G37 VanDerWaalsContact C-N 3.31Å; R35-I43 HydrophobicContact CG-CB 4.19Å; R35-I43 HydrophobicContact CG-CG1 3.8Å; R35-I43 PolarHBondContact NH2-O 2.82Å
36R97.9Very high98.1Very high183 Ų18387.4 Ų87.469%0.69145%0.448SS*.Hα-helixtrans-72.8-24.4178-73.2-176.1177.6-171.1-3.2113.2R32 L33 N38R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 2.87Å; L33-R36 PolarHBondContact O-N 3.22Å; R36-N38 VanDerWaalsContact C-N 3.25Å; R36-N38 PolarHBondContact O-N 3.47Å
37G97.9Very high98.1Very high34 Ų3487.4 Ų87.435%0.35145%0.452SS..THydrogen-bonded Turntrans-78.1-2.4179.600000114.8L33 R35 Y39L33-G37 PolarHBondContact O-N 3.05Å; R35-G37 VanDerWaalsContact C-N 3.31Å; G37-Y39 PolarHBondContact O-N 2.97Å; G37-Y39 VanDerWaalsContact O-N 3.17Å
38N97.1Very high98.1Very high140 Ų14087.4 Ų87.475%0.74945%0.452SS*.THydrogen-bonded Turntrans53.932178.8-58.8-32.7000114.4R36 A40R36-N38 VanDerWaalsContact C-N 3.25Å; R36-N38 PolarHBondContact O-N 3.47Å; N38-A40 VanDerWaalsContact C-N 3.3Å; N38-A40 PolarHBondContact O-N 3.22Å
39Y97.6Very high98.1Very high172 Ų17288.1 Ų88.168%0.67545%0.45SS*.SBendtrans-69.6-26.6-179.7-57.9-67.6000113.6L34 G37L34-Y39 HydrophobicContact CD2-CD2 3.83Å; L34-Y39 HydrophobicContact CD2-CE2 3.99Å; L34-Y39 WeakPolarHBondContact O-CD2 3.06Å; G37-Y39 PolarHBondContact O-N 2.97Å; G37-Y39 VanDerWaalsContact O-N 3.17Å
40A97.9Very high98.1Very high58 Ų5889.5 Ų89.548%0.47946%0.457SS..  trans-162.7159.1175.900000109.8N38 R42 I43N38-A40 VanDerWaalsContact C-N 3.3Å; N38-A40 PolarHBondContact O-N 3.22Å; A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 2.92Å; A40-I43 HydrophobicContact CB-CD1 4.32Å
41E97.4Very high98.1Very high188 Ų18892 Ų9288%0.87947%0.469SS*.SBendtrans-59.1-38.2175.6-169.3-167.5160.200112.1
42R98.1Very high98.1Very high213 Ų21390.4 Ų90.480%0.80446%0.462SS*.  trans-127.8132.9-179-60.7177.471.3165.51.6110.6A40A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 2.92Å
43I98.2Very high98.1Very high21 Ų2186.6 Ų86.611%0.10846%0.456CS..  trans-105.8116.7171.7-55.4-59.6000108.9L34 R35 A40 A47L34-I43 HydrophobicContact CB-CD1 4.18Å; L34-I43 HydrophobicContact CB-CG1 4.11Å; L34-I43 HydrophobicContact CB-CG2 4.11Å; L34-I43 HydrophobicContact CD1-CG2 3.99Å; R35-I43 HydrophobicContact CG-CB 4.19Å; R35-I43 HydrophobicContact CG-CG1 3.8Å; R35-I43 PolarHBondContact NH2-O 2.82Å; A40-I43 HydrophobicContact CB-CD1 4.32Å; I43-A47 HydrophobicContact CG2-CB 4.23Å
44G97.9Very high98.1Very high46 Ų4684.5 Ų84.547%0.47445%0.448SS..  trans-63.3149.3176.400000112.4G46 A47 P48G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 3.16Å; G44-A47 WeakPolarHBondContact O-CB 3.41Å; G44-A47 PolarHBondContact O-N 3.35Å; G44-P48 WeakPolarHBondContact O-CD 3.35Å
45A97.4Very high98.2Very high80 Ų8086.2 Ų86.266%0.66146%0.456SS*.SBendtrans-65-28.8-173.400000114.1P48A45-P48 WeakPolarHBondContact O-CD 3.23Å; A45-P48 WeakPolarHBondContact O-CG 3.42Å
46G98.2Very high98.2Very high49 Ų4982 Ų8251%0.50544%0.442SS..SBendtrans-80.2-26.7177.700000114.5G44 V49 Y50G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 3.16Å; G46-V49 WeakPolarHBondContact O-CB 3.13Å; G46-V49 PolarHBondContact O-N 2.81Å; G46-Y50 PolarHBondContact O-N 3.34Å
47A98.6Very high98.2Very high49 Ų4979.9 Ų79.941%0.40544%0.435SS..Hα-helixtrans-53.4-49.3179.700000113.9I43 G44 V49 Y50 L51I43-A47 HydrophobicContact CG2-CB 4.23Å; G44-A47 WeakPolarHBondContact O-CB 3.41Å; G44-A47 PolarHBondContact O-N 3.35Å; A47-V49 VanDerWaalsContact C-N 3.25Å; A47-V49 PolarHBondContact O-N 3.41Å; A47-Y50 PolarHBondContact O-N 2.84Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 PolarHBondContact O-N 2.91Å
48P98.7Very high98.3Very high0 Ų080.9 Ų80.90%043%0.432CS..Hα-helixtrans-70.5-18.9177.329.4-37.9000114V27 I30 H31 L34 G44 A45 A52V27-P48 HydrophobicContact CG1-CB 4.24Å; V27-P48 HydrophobicContact CG1-CG 4.41Å; I30-P48 HydrophobicContact CB-CB 4.46Å; I30-P48 HydrophobicContact CG2-CB 4.06Å; H31-P48 HydrophobicContact CB-CB 3.64Å; H31-P48 HydrophobicContact CB-CG 3.71Å; L34-P48 HydrophobicContact CD1-CB 4.18Å; G44-P48 WeakPolarHBondContact O-CD 3.35Å; A45-P48 WeakPolarHBondContact O-CD 3.23Å; A45-P48 WeakPolarHBondContact O-CG 3.42Å; P48-A52 WeakPolarHBondContact O-CB 3.5Å; P48-A52 PolarHBondContact O-N 2.91Å
49V98.7Very high98.3Very high49 Ų4976.7 Ų76.730%0.29741%0.411SS..Hα-helixtrans-74.2-50.8174.11800000108.9A21 L23 V27 G46 A47 A52 A53A21-V49 HydrophobicContact CB-CG1 3.73Å; L23-V49 HydrophobicContact CD1-CG1 4.24Å; V27-V49 HydrophobicContact CG1-CG2 3.73Å; G46-V49 WeakPolarHBondContact O-CB 3.13Å; G46-V49 PolarHBondContact O-N 2.81Å; A47-V49 VanDerWaalsContact C-N 3.25Å; A47-V49 PolarHBondContact O-N 3.41Å; V49-A52 PolarHBondContact O-N 2.96Å; V49-A53 PolarHBondContact O-N 3.14Å
50Y98.8Very high98.4Very high175 Ų17571.1 Ų71.169%0.68640%0.401SS*.Hα-helixtrans-59.7-50.3178.9-167.3-85.8000111.3G46 A47 A52 A53 V54G46-Y50 PolarHBondContact O-N 3.34Å; A47-Y50 PolarHBondContact O-N 2.84Å; Y50-A52 VanDerWaalsContact C-N 3.3Å; Y50-A52 PolarHBondContact O-N 3.01Å; Y50-A53 WeakPolarHBondContact O-CB 3.3Å; Y50-A53 PolarHBondContact O-N 3.38Å; Y50-A53 VanDerWaalsContact O-N 3.12Å; Y50-V54 HydrophobicContact CD1-CG2 3.9Å; Y50-V54 HydrophobicContact CE1-CG2 3.6Å; Y50-V54 WeakPolarHBondContact O-CG2 3.4Å; Y50-V54 PolarHBondContact O-N 3.41Å
51L98.7Very high98.4Very high66 Ų6671.6 Ų71.635%0.34639%0.393SS..Hα-helixtrans-62.2-37.2178.9-178.159.3000112.4I30 L34 A47 V54 I55I30-L51 HydrophobicContact CG2-CB 4.24Å; I30-L51 HydrophobicContact CG2-CD2 3.83Å; I30-L51 HydrophobicContact CG2-CG 4.13Å; L34-L51 HydrophobicContact CD1-CD2 4.2Å; L34-L51 HydrophobicContact CD2-CD2 3.88Å; L34-L51 HydrophobicContact CG-CD2 4.28Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 PolarHBondContact O-N 2.91Å; L51-V54 PolarHBondContact O-N 2.81Å; L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.08Å; L51-I55 HydrophobicContact CG-CD1 3.88Å; L51-I55 HydrophobicContact CG-CG1 4.45Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.28Å; L51-I55 PolarHBondContact O-N 3.14Å
52A98.8Very high98.4Very high0 Ų064 Ų640%036%0.36CS..Hα-helixtrans-61.9-44.2174.300000111.8L23 F25 V27 I30 P48 V49 Y50 I55 E56L23-A52 HydrophobicContact CD1-CB 3.79Å; F25-A52 HydrophobicContact CB-CB 4.26Å; V27-A52 HydrophobicContact CG2-CB 3.8Å; I30-A52 HydrophobicContact CD1-CB 3.5Å; P48-A52 WeakPolarHBondContact O-CB 3.5Å; P48-A52 PolarHBondContact O-N 2.91Å; V49-A52 PolarHBondContact O-N 2.96Å; Y50-A52 VanDerWaalsContact C-N 3.3Å; Y50-A52 PolarHBondContact O-N 3.01Å; A52-I55 PolarHBondContact O-N 2.99Å; A52-E56 VanDerWaalsContact O-CB 3.29Å; A52-E56 WeakPolarHBondContact O-CB 3.36Å; A52-E56 PolarHBondContact O-N 2.78Å
53A98.8Very high98.5Very high39 Ų3958.2 Ų58.232%0.32234%0.344SS..Hα-helixtrans-62.3-44178.100000112L23 V49 Y50 E56 Y57L23-A53 HydrophobicContact CD1-CB 4.1Å; L23-A53 HydrophobicContact CD2-CB 3.81Å; V49-A53 PolarHBondContact O-N 3.14Å; Y50-A53 WeakPolarHBondContact O-CB 3.3Å; Y50-A53 PolarHBondContact O-N 3.38Å; Y50-A53 VanDerWaalsContact O-N 3.12Å; A53-E56 PolarHBondContact O-N 2.95Å; A53-Y57 WeakPolarHBondContact O-CB 3.45Å; A53-Y57 PolarHBondContact O-N 3.38Å
54V98.6Very high98.5Very high53 Ų5362.6 Ų62.632%0.32136%0.364SS..Hα-helixtrans-64.8-43.5178.4177.60000111.8Y50 L51 E56 Y57 L58Y50-V54 HydrophobicContact CD1-CG2 3.9Å; Y50-V54 HydrophobicContact CE1-CG2 3.6Å; Y50-V54 WeakPolarHBondContact O-CG2 3.4Å; Y50-V54 PolarHBondContact O-N 3.41Å; L51-V54 PolarHBondContact O-N 2.81Å; V54-E56 VanDerWaalsContact C-N 3.33Å; V54-Y57 PolarHBondContact O-N 3.11Å; V54-L58 HydrophobicContact CG1-CD1 4.05Å; V54-L58 HydrophobicContact CG1-CG 4.45Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 2.92Å
55I98.5Very high98.5Very high64 Ų6462.5 Ų62.533%0.32835%0.353SS..Hα-helixtrans-66.9-38.4178.1-62.9170.2000110.6F25 L51 A52 T59F25-I55 HydrophobicContact CD1-CB 4.25Å; F25-I55 HydrophobicContact CD1-CG2 3.81Å; F25-I55 HydrophobicContact CE1-CB 4.27Å; F25-I55 HydrophobicContact CE1-CG2 3.39Å; F25-I55 HydrophobicContact CZ-CG2 4.25Å; L51-I55 HydrophobicContact CD1-CD1 3.9Å; L51-I55 HydrophobicContact CD1-CG1 4.08Å; L51-I55 HydrophobicContact CG-CD1 3.88Å; L51-I55 HydrophobicContact CG-CG1 4.45Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.28Å; L51-I55 PolarHBondContact O-N 3.14Å; A52-I55 PolarHBondContact O-N 2.99Å; I55-T59 WeakPolarHBondContact O-CB 3.32Å; I55-T59 PolarHBondContact O-N 3.29Å; I55-T59 PolarHBondContact O-OG1 3.16Å
56E98.7Very high98.6Very high42 Ų4258.7 Ų58.720%0.19632%0.321CS..Hα-helixtrans-60.7-47175-175.1164.3155.300111.4L23 Q24 F25 A52 A53 V54 T59 A60L23-E56 WeakPolarHBondContact CA-OE2 3.24Å; L23-E56 WeakPolarHBondContact CB-OE2 3.36Å; Q24-E56 PolarHBondContact N-OE1 3.12Å; Q24-E56 VanDerWaalsContact N-OE1 3.11Å; Q24-E56 PolarHBondContact N-OE2 3.49Å; F25-E56 HydrophobicContact CB-CB 4.15Å; F25-E56 WeakPolarHBondContact CB-OE2 3.38Å; F25-E56 HydrophobicContact CD2-CB 3.47Å; F25-E56 VanDerWaalsContact CD2-CB 3.47Å; F25-E56 HydrophobicContact CD2-CG 3.57Å; F25-E56 HydrophobicContact CE2-CB 4Å; F25-E56 HydrophobicContact CE2-CG 4.05Å; F25-E56 HydrophobicContact CG-CB 3.83Å; F25-E56 HydrophobicContact CG-CG 4.36Å; F25-E56 PolarHBondContact N-OE2 3.23Å; A52-E56 VanDerWaalsContact O-CB 3.29Å; A52-E56 WeakPolarHBondContact O-CB 3.36Å; A52-E56 PolarHBondContact O-N 2.78Å; A53-E56 PolarHBondContact O-N 2.95Å; V54-E56 VanDerWaalsContact C-N 3.33Å; E56-T59 PolarHBondContact O-N 3.32Å; E56-A60 WeakPolarHBondContact O-CB 3.34Å; E56-A60 PolarHBondContact O-N 3.4Å
57Y98.5Very high98.6Very high140 Ų14057.7 Ų57.755%0.54931%0.31SS..Hα-helixtrans-57.6-53.6175168.6-108.9000112.3A53 V54 T59 A60 E61A53-Y57 WeakPolarHBondContact O-CB 3.45Å; A53-Y57 PolarHBondContact O-N 3.38Å; V54-Y57 PolarHBondContact O-N 3.11Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 2.93Å; Y57-A60 WeakPolarHBondContact O-CB 3.37Å; Y57-A60 PolarHBondContact O-N 3.24Å; Y57-A60 VanDerWaalsContact O-N 3.11Å; Y57-E61 PolarHBondContact O-N 3.37Å
58L98.3Very high98.6Very high55 Ų5557.1 Ų57.129%0.28830%0.301SS..Hα-helixtrans-61.9-34.9179.5-69.4172.6000112.4V54 V62 F96V54-L58 HydrophobicContact CG1-CD1 4.05Å; V54-L58 HydrophobicContact CG1-CG 4.45Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 2.92Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 2.73Å; L58-V62 VanDerWaalsContact O-N 3.16Å; L58-F96 HydrophobicContact CD1-CE1 4.39Å; L58-F96 HydrophobicContact CD1-CZ 4.3Å
59T98.7Very high98.6Very high51 Ų5157.7 Ų57.731%0.31331%0.305SS..Hα-helixtrans-67.5-42.8175.6-56.90000110.9F25 I55 E56 Y57 L63F25-T59 HydrophobicContact CE2-CG2 4.41Å; F25-T59 HydrophobicContact CZ-CG2 4Å; F25-T59 VanDerWaalsContact CZ-OG1 3.32Å; F25-T59 WeakPolarHBondContact CZ-OG1 3.4Å; I55-T59 WeakPolarHBondContact O-CB 3.32Å; I55-T59 PolarHBondContact O-N 3.29Å; I55-T59 PolarHBondContact O-OG1 3.16Å; E56-T59 PolarHBondContact O-N 3.32Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 2.93Å; T59-L63 HydrophobicContact CG2-CD1 3.85Å; T59-L63 HydrophobicContact CG2-CG 4.31Å; T59-L63 WeakPolarHBondContact O-CB 3.33Å; T59-L63 VanDerWaalsContact O-CG 3.23Å; T59-L63 WeakPolarHBondContact O-CG 3.37Å; T59-L63 PolarHBondContact O-N 2.85Å
60A98.6Very high98.6Very high55 Ų5555.5 Ų55.546%0.45529%0.293SS..Hα-helixtrans-61-45.3176.500000111.4E56 Y57 V62 L63 E64E56-A60 WeakPolarHBondContact O-CB 3.34Å; E56-A60 PolarHBondContact O-N 3.4Å; Y57-A60 WeakPolarHBondContact O-CB 3.37Å; Y57-A60 PolarHBondContact O-N 3.24Å; Y57-A60 VanDerWaalsContact O-N 3.11Å; A60-V62 PolarHBondContact O-N 3.14Å; A60-L63 PolarHBondContact O-N 2.96Å; A60-E64 WeakPolarHBondContact O-CB 3.21Å; A60-E64 PolarHBondContact O-N 3.19Å
61E98.2Very high98.6Very high68 Ų6855 Ų5532%0.31829%0.289SS..Hα-helixtrans-58.2-50.6178.6-167.860.6-144.400111.9Y57 L63 E64 L65Y57-E61 PolarHBondContact O-N 3.37Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 3.47Å; E61-E64 PolarHBondContact O-N 3.22Å; E61-L65 WeakPolarHBondContact O-CG 3.36Å; E61-L65 PolarHBondContact O-N 3.3Å; E61-L65 VanDerWaalsContact O-N 3.14Å
62V98.5Very high98.6Very high29 Ų2957.4 Ų57.418%0.17630%0.302CS..Hα-helixtrans-63.1-39.4178.4174.20000111.4L58 A60 A66 L83 L93L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 2.73Å; L58-V62 VanDerWaalsContact O-N 3.16Å; A60-V62 PolarHBondContact O-N 3.14Å; V62-A66 WeakPolarHBondContact O-CB 3.04Å; V62-A66 PolarHBondContact O-N 2.99Å; V62-L83 HydrophobicContact CG1-CD2 3.85Å; V62-L93 HydrophobicContact CG2-CD1 3.96Å; V62-L93 HydrophobicContact CG2-CD2 3.84Å
63L98.7Very high98.5Very high91 Ų9161 Ų6148%0.47632%0.322SS..Hα-helixtrans-70.5-36.7179.6-74176.8000112.7T59 A60 E61 G67 I78T59-L63 HydrophobicContact CG2-CD1 3.85Å; T59-L63 HydrophobicContact CG2-CG 4.31Å; T59-L63 WeakPolarHBondContact O-CB 3.33Å; T59-L63 VanDerWaalsContact O-CG 3.23Å; T59-L63 WeakPolarHBondContact O-CG 3.37Å; T59-L63 PolarHBondContact O-N 2.85Å; A60-L63 PolarHBondContact O-N 2.96Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 3.47Å; L63-G67 PolarHBondContact O-N 3.05Å; L63-I78 HydrophobicContact CD2-CD1 4.11Å
64E98.5Very high98.5Very high114 Ų11468.9 Ų68.953%0.53335%0.349SS..Hα-helixtrans-61.8-53.7176.117854.6-145.200110.2A60 E61 A66 G67 N68A60-E64 WeakPolarHBondContact O-CB 3.21Å; A60-E64 PolarHBondContact O-N 3.19Å; E61-E64 PolarHBondContact O-N 3.22Å; E64-A66 PolarHBondContact O-N 3.34Å; E64-G67 PolarHBondContact O-N 3Å; E64-G67 VanDerWaalsContact O-N 3.16Å; E64-N68 PolarHBondContact O-N 3.01Å; E64-N68 PolarHBondContact O-ND2 3.3Å; E64-N68 PolarHBondContact OE1-ND2 3.05Å
65L98.7Very high98.5Very high44 Ų4471.5 Ų71.523%0.2336%0.356CS..Hα-helixtrans-63.7-39.7178.6-63.6177.3000112.3E61 G67 N68 A69 A86 D90 L93E61-L65 WeakPolarHBondContact O-CG 3.36Å; E61-L65 PolarHBondContact O-N 3.3Å; E61-L65 VanDerWaalsContact O-N 3.14Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-N68 PolarHBondContact O-N 3.01Å; L65-A69 WeakPolarHBondContact O-CB 3.33Å; L65-A69 PolarHBondContact O-N 2.83Å; L65-A86 HydrophobicContact CB-CB 3.65Å; L65-D90 HydrophobicContact CD1-CB 4Å; L65-L93 HydrophobicContact CD1-CD1 3.67Å
66A98.8Very high98.5Very high0 Ų075.9 Ų75.90%039%0.386CS..Hα-helixtrans-69.1-31.917600000112.6V62 E64 A70 I78 L83 A86V62-A66 WeakPolarHBondContact O-CB 3.04Å; V62-A66 PolarHBondContact O-N 2.99Å; E64-A66 PolarHBondContact O-N 3.34Å; A66-A70 WeakPolarHBondContact O-CB 3.4Å; A66-A70 PolarHBondContact O-N 3.44Å; A66-I78 HydrophobicContact CB-CD1 4.14Å; A66-I78 HydrophobicContact CB-CG1 4.49Å; A66-I78 HydrophobicContact CB-CG2 4.04Å; A66-L83 HydrophobicContact CB-CD2 3.81Å; A66-L83 HydrophobicContact CB-CG 4.5Å; A66-A86 HydrophobicContact CB-CB 4.1Å
67G98.8Very high98.5Very high27 Ų2783 Ų8328%0.27841%0.411SS..Hα-helixtrans-64.3-45.9171.100000111.6L63 E64 L65 A70 R71L63-G67 PolarHBondContact O-N 3.05Å; E64-G67 PolarHBondContact O-N 3Å; E64-G67 VanDerWaalsContact O-N 3.16Å; L65-G67 VanDerWaalsContact C-N 3.33Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.37Å; G67-R71 PolarHBondContact O-N 3.26Å
68N98.6Very high98.5Very high38 Ų3879.4 Ų79.420%0.20340%0.4CS..Hα-helixtrans-59.4-48.5173.4-71.2-40.3000111.3E64 L65 A70 R71 D72E64-N68 PolarHBondContact O-N 3.01Å; E64-N68 PolarHBondContact O-ND2 3.3Å; E64-N68 PolarHBondContact OE1-ND2 3.05Å; L65-N68 PolarHBondContact O-N 3.01Å; N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 3.11Å; N68-R71 WeakPolarHBondContact O-CB 3.46Å; N68-R71 PolarHBondContact O-N 3.02Å; N68-R71 VanDerWaalsContact O-N 3.12Å; N68-R71 VanDerWaalsContact OD1-CZ 3.32Å; N68-R71 PolarHBondContact OD1-NH1 2.93Å; N68-R71 PolarHBondContact OD1-NH2 3.35Å; N68-D72 VanDerWaalsContact O-CG 3.22Å; N68-D72 PolarHBondContact O-N 3.44Å
69A98.5Very high98.5Very high12 Ų1280.1 Ų80.110%0.09940%0.404CS..Hα-helixtrans-60.5-36.6175.600000113L65 N73 H82 L85L65-A69 WeakPolarHBondContact O-CB 3.33Å; L65-A69 PolarHBondContact O-N 2.83Å; A69-N73 WeakPolarHBondContact O-CB 3.42Å; A69-N73 PolarHBondContact O-N 3.05Å; A69-N73 VanDerWaalsContact O-N 3.16Å; A69-N73 PolarHBondContact O-ND2 2.8Å; A69-H82 HydrophobicContact CB-CB 4.22Å; A69-L85 HydrophobicContact CB-CB 4.21Å
70A98.7Very high98.5Very high3 Ų380.3 Ų80.33%0.02541%0.406CS..Hα-helixtrans-64.2-45.9174.600000111.4A66 G67 N68 N73 K74 K75 I78 H82A66-A70 WeakPolarHBondContact O-CB 3.4Å; A66-A70 PolarHBondContact O-N 3.44Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.37Å; N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 3.11Å; A70-N73 CarbonylContact O-C 3.54Å; A70-N73 PolarHBondContact O-N 2.97Å; A70-K74 PolarHBondContact O-N 3.39Å; A70-K75 CarbonylContact C-O 3.24Å; A70-K75 VanDerWaalsContact C-O 3.24Å; A70-K75 PolarHBondContact O-N 2.75Å; A70-I78 HydrophobicContact CB-CG1 4.35Å; A70-H82 HydrophobicContact CB-CB 4.48Å; A70-H82 VanDerWaalsContact CB-ND1 3.25Å; A70-H82 WeakPolarHBondContact CB-ND1 3.49Å
71R98.6Very high98.5Very high163 Ų16380.8 Ų80.862%0.61540%0.396SS*.Hα-helixtrans-60.2-45.2177.5-175.4-179.966-151.6-7.4111.5G67 N68 N73 K74G67-R71 PolarHBondContact O-N 3.26Å; N68-R71 WeakPolarHBondContact O-CB 3.46Å; N68-R71 PolarHBondContact O-N 3.02Å; N68-R71 VanDerWaalsContact O-N 3.12Å; N68-R71 VanDerWaalsContact OD1-CZ 3.32Å; N68-R71 PolarHBondContact OD1-NH1 2.93Å; N68-R71 PolarHBondContact OD1-NH2 3.35Å; R71-N73 PolarHBondContact O-N 2.99Å; R71-K74 WeakPolarHBondContact O-CA 3.47Å; R71-K74 PolarHBondContact O-N 2.67Å
72D97.9Very high98.5Very high117 Ų11777.6 Ų77.663%0.62638%0.381SS*.Hα-helixtrans-63.8-31.1179-63.3-14.1000111.9N68 K74N68-D72 VanDerWaalsContact O-CG 3.22Å; N68-D72 PolarHBondContact O-N 3.44Å; D72-K74 PolarHBondContact O-N 2.91Å
73N97.8Very high98.5Very high77 Ų7778.6 Ų78.641%0.41239%0.385SS..THydrogen-bonded Turntrans-8514.4172.8-75.3-89.3000113.4A69 A70 R71 K75A69-N73 WeakPolarHBondContact O-CB 3.42Å; A69-N73 PolarHBondContact O-N 3.05Å; A69-N73 VanDerWaalsContact O-N 3.16Å; A69-N73 PolarHBondContact O-ND2 2.8Å; A70-N73 CarbonylContact O-C 3.54Å; A70-N73 PolarHBondContact O-N 2.97Å; R71-N73 PolarHBondContact O-N 2.99Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 WeakPolarHBondContact O-CG 3.37Å; N73-K75 PolarHBondContact O-N 3.23Å
74K98.4Very high98.5Very high203 Ų20375.2 Ų75.288%0.88337%0.367SS*.THydrogen-bonded Turntrans55.838.3179.5-53.4180-178.2-178.90112.9A70 R71 D72A70-K74 PolarHBondContact O-N 3.39Å; R71-K74 WeakPolarHBondContact O-CA 3.47Å; R71-K74 PolarHBondContact O-N 2.67Å; D72-K74 PolarHBondContact O-N 2.91Å
75K98.3Very high98.5Very high109 Ų10970.8 Ų70.847%0.47435%0.347SS..  trans-124.5148.5179.8-68.6175-166.5-58.10110.5A70 N73A70-K75 CarbonylContact C-O 3.24Å; A70-K75 VanDerWaalsContact C-O 3.24Å; A70-K75 PolarHBondContact O-N 2.75Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 WeakPolarHBondContact O-CG 3.37Å; N73-K75 PolarHBondContact O-N 3.23Å
76T98.2Very high98.5Very high155 Ų15569 Ų6995%0.95134%0.339SS*.SBendtrans-100.2-7.4177.256.30000113.2
77R98.8Very high98.5Very high192 Ų19269.3 Ų69.373%0.72534%0.34SS*.SBendtrans-115.7128.9-179.1-175.1179.8-64.8131.41.1110.6H82R77-H82 PolarHBondContact O-CE1 2.92Å; R77-H82 PolarHBondContact O-ND1 3.01Å
78I98.7Very high98.5Very high64 Ų6470.5 Ų70.533%0.32834%0.336SS..  trans-68.1128.9170.2-62.1173.7000109.2L63 A66 A70 H82 L83L63-I78 HydrophobicContact CD2-CD1 4.11Å; A66-I78 HydrophobicContact CB-CD1 4.14Å; A66-I78 HydrophobicContact CB-CG1 4.49Å; A66-I78 HydrophobicContact CB-CG2 4.04Å; A70-I78 HydrophobicContact CB-CG1 4.35Å; I78-H82 HydrophobicContact CG2-CB 4.32Å; I78-L83 HydrophobicContact CG2-CD2 4.23Å; I78-L83 HydrophobicContact CG2-CG 4.11Å
79I98.7Very high98.4Very high70 Ų7074.2 Ų74.236%0.35936%0.356SS..  trans-124.3167.417364167.6000108.9R81 H82 L83I79-R81 HydrophobicContact CD1-CB 3.97Å; I79-R81 HydrophobicContact CG1-CB 4.07Å; I79-R81 PolarHBondContact O-N 3.35Å; I79-R81 VanDerWaalsContact O-N 3.07Å; I79-H82 PolarHBondContact N-ND1 3.49Å; I79-H82 WeakPolarHBondContact O-CB 3.16Å; I79-H82 PolarHBondContact O-N 3.07Å; I79-L83 PolarHBondContact O-N 3.08Å
80P98.8Very high98.4Very high56 Ų5675.8 Ų75.836%0.36436%0.363SS..Hα-helixtrans-55.3-31.1-177.6-28.436.3000114.8H82 L83 Q84 I102 A103 Q104P80-H82 VanDerWaalsContact C-N 3.34Å; P80-H82 PolarHBondContact O-N 2.91Å; P80-L83 PolarHBondContact O-N 3.28Å; P80-Q84 PolarHBondContact O-N 2.8Å; P80-I102 HydrophobicContact CB-CG2 4.34Å; P80-A103 WeakPolarHBondContact CB-O 3.29Å; P80-Q104 HydrophobicContact CB-CB 3.97Å; P80-Q104 HydrophobicContact CG-CB 4.19Å
81R98.7Very high98.4Very high64 Ų6483.5 Ų83.524%0.24240%0.399CS..Hα-helixtrans-57.5-42.8171.5178.556.2177176-1.8113I79 Q84 L85 G105 V107I79-R81 HydrophobicContact CD1-CB 3.97Å; I79-R81 HydrophobicContact CG1-CB 4.07Å; I79-R81 PolarHBondContact O-N 3.35Å; I79-R81 VanDerWaalsContact O-N 3.07Å; R81-Q84 PolarHBondContact O-N 3.38Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 HydrophobicContact CG-CG 4.44Å; R81-L85 WeakPolarHBondContact O-CG 3.23Å; R81-L85 PolarHBondContact O-N 3.04Å; R81-G105 WeakPolarHBondContact CD-O 3.37Å; R81-G105 PolarHBondContact NH1-O 3.34Å; R81-V107 VanDerWaalsContact CZ-O 3.24Å; R81-V107 PolarHBondContact NH1-O 2.89Å; R81-V107 PolarHBondContact NH2-O 2.94Å
82H98.7Very high98.4Very high2 Ų283.1 Ų83.11%0.00940%0.404CS..Hα-helixtrans-69-37.4-179-54.2152.6000111.4A69 A70 R77 I78 I79 P80 L85 A86A69-H82 HydrophobicContact CB-CB 4.22Å; A70-H82 HydrophobicContact CB-CB 4.48Å; A70-H82 VanDerWaalsContact CB-ND1 3.25Å; A70-H82 WeakPolarHBondContact CB-ND1 3.49Å; R77-H82 PolarHBondContact O-CE1 2.92Å; R77-H82 PolarHBondContact O-ND1 3.01Å; I78-H82 HydrophobicContact CG2-CB 4.32Å; I79-H82 PolarHBondContact N-ND1 3.49Å; I79-H82 WeakPolarHBondContact O-CB 3.16Å; I79-H82 PolarHBondContact O-N 3.07Å; P80-H82 VanDerWaalsContact C-N 3.34Å; P80-H82 PolarHBondContact O-N 2.91Å; H82-L85 PolarHBondContact O-N 3.21Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.36Å; H82-A86 PolarHBondContact O-N 3Å
83L98.7Very high98.4Very high49 Ų4978 Ų7826%0.25738%0.376SS..Hα-helixtrans-61-46.4172.4-66.7170.2000111.1V62 A66 I78 I79 P80 A86 I87V62-L83 HydrophobicContact CG1-CD2 3.85Å; A66-L83 HydrophobicContact CB-CD2 3.81Å; A66-L83 HydrophobicContact CB-CG 4.5Å; I78-L83 HydrophobicContact CG2-CD2 4.23Å; I78-L83 HydrophobicContact CG2-CG 4.11Å; I79-L83 PolarHBondContact O-N 3.08Å; P80-L83 PolarHBondContact O-N 3.28Å; L83-A86 PolarHBondContact O-N 3.34Å; L83-I87 WeakPolarHBondContact O-CB 3.38Å; L83-I87 WeakPolarHBondContact O-CD1 3.4Å; L83-I87 VanDerWaalsContact O-CG1 3.24Å; L83-I87 WeakPolarHBondContact O-CG1 3.41Å; L83-I87 PolarHBondContact O-N 3.37Å
84Q98.6Very high98.4Very high21 Ų2176.3 Ų76.310%0.09837%0.37CS..Hα-helixtrans-62.3-44.9177.6-179.674.7-1.400111.9P80 R81 R88 G105 G106P80-Q84 PolarHBondContact O-N 2.8Å; R81-Q84 PolarHBondContact O-N 3.38Å; Q84-R88 HydrophobicContact CG-CG 4.28Å; Q84-R88 WeakPolarHBondContact O-CB 3.26Å; Q84-R88 VanDerWaalsContact O-CG 3.28Å; Q84-R88 WeakPolarHBondContact O-CG 3.42Å; Q84-R88 PolarHBondContact O-N 3.24Å; Q84-G105 WeakPolarHBondContact CB-O 3.42Å; Q84-G105 WeakPolarHBondContact CG-O 3.15Å; Q84-G106 WeakPolarHBondContact CG-O 3.28Å; Q84-G106 PolarHBondContact NE2-O 3.18Å
85L98.5Very high98.4Very high20 Ų2074.6 Ų74.611%0.10536%0.363CS..Hα-helixtrans-61.5-45.3177.4-72.6179.4000111.3A69 R81 H82 N89 L108A69-L85 HydrophobicContact CB-CB 4.21Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 HydrophobicContact CG-CG 4.44Å; R81-L85 WeakPolarHBondContact O-CG 3.23Å; R81-L85 PolarHBondContact O-N 3.04Å; H82-L85 PolarHBondContact O-N 3.21Å; L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.25Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 VanDerWaalsContact O-N 3.14Å; L85-N89 PolarHBondContact O-ND2 3.42Å; L85-L108 HydrophobicContact CD2-CD2 3.7Å
86A98.5Very high98.4Very high8 Ų875.9 Ų75.97%0.06637%0.369CS..Hα-helixtrans-60-53.4177.200000111.7L65 A66 H82 L83 R88 D90L65-A86 HydrophobicContact CB-CB 3.65Å; A66-A86 HydrophobicContact CB-CB 4.1Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.36Å; H82-A86 PolarHBondContact O-N 3Å; L83-A86 PolarHBondContact O-N 3.34Å; A86-R88 PolarHBondContact O-N 2.87Å; A86-D90 PolarHBondContact O-N 3.2Å
87I98.4Very high98.4Very high6 Ų670.2 Ų70.23%0.03133%0.333CS..Hα-helixtrans-64.5-38.7-175.9-69.8162.9000112.3L83 L93 S94 L97 I102L83-I87 WeakPolarHBondContact O-CB 3.38Å; L83-I87 WeakPolarHBondContact O-CD1 3.4Å; L83-I87 VanDerWaalsContact O-CG1 3.24Å; L83-I87 WeakPolarHBondContact O-CG1 3.41Å; L83-I87 PolarHBondContact O-N 3.37Å; I87-L93 HydrophobicContact CG2-CB 4.43Å; I87-S94 WeakPolarHBondContact O-CA 3.43Å; I87-S94 WeakPolarHBondContact O-CB 3.44Å; I87-S94 PolarHBondContact O-N 3.43Å; I87-S94 VanDerWaalsContact O-N 3.14Å; I87-L97 HydrophobicContact CB-CD1 4.47Å; I87-L97 HydrophobicContact CD1-CD1 3.63Å; I87-L97 HydrophobicContact CG1-CD1 3.88Å; I87-L97 HydrophobicContact CG2-CB 4.13Å; I87-L97 HydrophobicContact CG2-CD1 3.74Å; I87-L97 HydrophobicContact CG2-CG 4.48Å; I87-I102 HydrophobicContact CD1-CD1 4.21Å; I87-I102 HydrophobicContact CD1-CG1 4.34Å
88R98.3Very high98.3Very high52 Ų5269.9 Ų69.920%0.19634%0.336CS..Hα-helixtrans-85.8-22.6-174.2-60.4-57.1174-147.2-2.2113.9Q84 A86 L97 V100 L108Q84-R88 HydrophobicContact CG-CG 4.28Å; Q84-R88 WeakPolarHBondContact O-CB 3.26Å; Q84-R88 VanDerWaalsContact O-CG 3.28Å; Q84-R88 WeakPolarHBondContact O-CG 3.42Å; Q84-R88 PolarHBondContact O-N 3.24Å; A86-R88 PolarHBondContact O-N 2.87Å; R88-L97 PolarHBondContact NH1-O 3.34Å; R88-V100 PolarHBondContact NH2-O 3.21Å; R88-L108 HydrophobicContact CB-CD1 3.69Å; R88-L108 HydrophobicContact CB-CD2 3.96Å; R88-L108 HydrophobicContact CB-CG 3.67Å
89N97.7Very high98.3Very high116 Ų11670.6 Ų70.662%0.6236%0.359SS*.Hα-helixtrans-83.7-18.5173.3-73.5-53.1000112.8L85 L108L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.25Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 VanDerWaalsContact O-N 3.14Å; L85-N89 PolarHBondContact O-ND2 3.42Å; N89-L108 WeakPolarHBondContact ND2-CD2 3.45Å
90D98.2Very high98.3Very high45 Ų4570.4 Ų70.424%0.24136%0.361CS..SBendtrans-91.9128.617418069.9000111.5L65 A86 E92 L93 S94L65-D90 HydrophobicContact CD1-CB 4Å; A86-D90 PolarHBondContact O-N 3.2Å; D90-E92 PolarHBondContact OD2-N 2.84Å; D90-L93 HydrophobicContact CB-CB 4.13Å; D90-L93 HydrophobicContact CB-CD1 4.15Å; D90-L93 HydrophobicContact CB-CG 4.36Å; D90-L93 VanDerWaalsContact OD2-CB 3.26Å; D90-L93 WeakPolarHBondContact OD2-CB 3.36Å; D90-L93 WeakPolarHBondContact OD2-CG 3.45Å; D90-L93 PolarHBondContact OD2-N 3.1Å; D90-S94 WeakPolarHBondContact O-CB 3.5Å; D90-S94 PolarHBondContact O-N 3.26Å
91E97.9Very high98.3Very high165 Ų16574 Ų7477%0.77138%0.383SS*.Hα-helixtrans-66.3-44.5-174.4-174179.8170.300111.9K95E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 3.01Å
92E98.2Very high98.2Very high154 Ų15472.9 Ų72.972%0.7238%0.381SS*.Hα-helixtrans-69.8-46.7-175.2-61.1-166.8151.500111.2D90 K95 F96D90-E92 PolarHBondContact OD2-N 2.84Å; E92-K95 PolarHBondContact O-N 2.99Å; E92-F96 VanDerWaalsContact O-CB 3.23Å; E92-F96 WeakPolarHBondContact O-CB 3.37Å; E92-F96 PolarHBondContact O-N 3.46Å
93L98.3Very high98.2Very high10 Ų1076.5 Ų76.55%0.05241%0.411CS..Hα-helixtrans-66.7-38.7176.4-68.7177.2000111.9V62 L65 I87 D90 K95 F96 L97V62-L93 HydrophobicContact CG2-CD1 3.96Å; V62-L93 HydrophobicContact CG2-CD2 3.84Å; L65-L93 HydrophobicContact CD1-CD1 3.67Å; I87-L93 HydrophobicContact CG2-CB 4.43Å; D90-L93 HydrophobicContact CB-CB 4.13Å; D90-L93 HydrophobicContact CB-CD1 4.15Å; D90-L93 HydrophobicContact CB-CG 4.36Å; D90-L93 VanDerWaalsContact OD2-CB 3.26Å; D90-L93 WeakPolarHBondContact OD2-CB 3.36Å; D90-L93 WeakPolarHBondContact OD2-CG 3.45Å; D90-L93 PolarHBondContact OD2-N 3.1Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.03Å; L93-F96 PolarHBondContact O-N 2.98Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 3.06Å
94S98.1Very high98.2Very high41 Ų4182.3 Ų82.329%0.28744%0.437SS..Hα-helixtrans-62.8-41.6177-172.50000111I87 D90 L97 K98I87-S94 WeakPolarHBondContact O-CA 3.43Å; I87-S94 WeakPolarHBondContact O-CB 3.44Å; I87-S94 PolarHBondContact O-N 3.43Å; I87-S94 VanDerWaalsContact O-N 3.14Å; D90-S94 WeakPolarHBondContact O-CB 3.5Å; D90-S94 PolarHBondContact O-N 3.26Å; S94-L97 CarbonylContact O-C 3.51Å; S94-K98 PolarHBondContact O-N 3.01Å
95K98.4Very high98.2Very high167 Ų16781.4 Ų81.473%0.72643%0.433SS*.Hα-helixtrans-68.4-45.7174.4-174.6179.9179.8178.90112.1E91 E92 L93 L97 K98E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 3.01Å; E92-K95 PolarHBondContact O-N 2.99Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.03Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 PolarHBondContact O-N 3.12Å; K95-K98 VanDerWaalsContact O-CB 3.25Å; K95-K98 WeakPolarHBondContact O-CB 3.34Å; K95-K98 PolarHBondContact O-N 3.42Å
96F98Very high98.2Very high137 Ų13783 Ų8360%0.60145%0.454SS*.Hα-helixtrans-62.3-39.4-179.9179.2-116.7000111.9L58 E92 L93 K98L58-F96 HydrophobicContact CD1-CE1 4.39Å; L58-F96 HydrophobicContact CD1-CZ 4.3Å; E92-F96 VanDerWaalsContact O-CB 3.23Å; E92-F96 WeakPolarHBondContact O-CB 3.37Å; E92-F96 PolarHBondContact O-N 3.46Å; L93-F96 PolarHBondContact O-N 2.98Å; F96-K98 VanDerWaalsContact C-N 3.35Å
97L97.9Very high98.2Very high36 Ų3687.9 Ų87.919%0.18848%0.483CS..THydrogen-bonded Turntrans-100.231.8179.3-58177.1000112.2I87 R88 L93 S94 K95 G99 V100I87-L97 HydrophobicContact CB-CD1 4.47Å; I87-L97 HydrophobicContact CD1-CD1 3.63Å; I87-L97 HydrophobicContact CG1-CD1 3.88Å; I87-L97 HydrophobicContact CG2-CB 4.13Å; I87-L97 HydrophobicContact CG2-CD1 3.74Å; I87-L97 HydrophobicContact CG2-CG 4.48Å; R88-L97 PolarHBondContact NH1-O 3.34Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 3.06Å; S94-L97 CarbonylContact O-C 3.51Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 PolarHBondContact O-N 3.12Å; L97-G99 PolarHBondContact O-N 3.14Å; L97-V100 HydrophobicContact CB-CB 4.22Å; L97-V100 HydrophobicContact CB-CG2 4.28Å; L97-V100 HydrophobicContact CD2-CG2 4.14Å; L97-V100 PolarHBondContact O-N 2.98Å
98K97.6Very high98.1Very high184 Ų18490.2 Ų90.280%0.850%0.495SS*.THydrogen-bonded Turntrans-64.5120.4171.1-175.2178.5-179.4-179.40109S94 K95 F96S94-K98 PolarHBondContact O-N 3.01Å; K95-K98 VanDerWaalsContact O-CB 3.25Å; K95-K98 WeakPolarHBondContact O-CB 3.34Å; K95-K98 PolarHBondContact O-N 3.42Å; F96-K98 VanDerWaalsContact C-N 3.35Å
99G97.8Very high98.1Very high79 Ų7993 Ų9381%0.81452%0.52SS*.THydrogen-bonded Turntrans91.7-3-178.200000115.2L97L97-G99 PolarHBondContact O-N 3.14Å
100V98.4Very high98Very high66 Ų6693.5 Ų93.540%0.452%0.523SS..  trans-87.3127.9172.7178.80000109.9R88 L97 I102R88-V100 PolarHBondContact NH2-O 3.21Å; L97-V100 HydrophobicContact CB-CB 4.22Å; L97-V100 HydrophobicContact CB-CG2 4.28Å; L97-V100 HydrophobicContact CD2-CG2 4.14Å; L97-V100 PolarHBondContact O-N 2.98Å; V100-I102 HydrophobicContact CG1-CD1 4.07Å
101T98.5Very high98Very high132 Ų13296.6 Ų96.681%0.8154%0.538SS*.  trans-98.2121.8173.7-63.90000110.5
102I98.2Very high97.9Very high41 Ų4194.4 Ų94.421%0.2153%0.528CS..  trans-89108.4173.5-52.8-58.4000108.7P80 I87 V100 Q104 G105P80-I102 HydrophobicContact CB-CG2 4.34Å; I87-I102 HydrophobicContact CD1-CD1 4.21Å; I87-I102 HydrophobicContact CD1-CG1 4.34Å; V100-I102 HydrophobicContact CG1-CD1 4.07Å; I102-Q104 PolarHBondContact O-N 2.99Å; I102-G105 PolarHBondContact O-N 2.98Å
103A98.6Very high97.8Very high77 Ų7790.9 Ų90.964%0.63653%0.525SS*.THydrogen-bonded Turntrans-56.1135.3175.200000110.4P80 G105P80-A103 WeakPolarHBondContact CB-O 3.29Å; A103-G105 PolarHBondContact O-N 3.33Å
104Q98.3Very high97.6Very high172 Ų17295.5 Ų95.580%0.80456%0.559SS**THydrogen-bonded Turntrans61.118.5-176.2-58.1-65.6-33.900114.9P80 I102P80-Q104 HydrophobicContact CB-CB 3.97Å; P80-Q104 HydrophobicContact CG-CB 4.19Å; I102-Q104 PolarHBondContact O-N 2.99Å
105G98.3Very high97.5Very high2 Ų299.8 Ų99.82%0.02158%0.577CS.*  trans-80.4-30.8179.200000115R81 Q84 I102 A103R81-G105 WeakPolarHBondContact CD-O 3.37Å; R81-G105 PolarHBondContact NH1-O 3.34Å; Q84-G105 WeakPolarHBondContact CB-O 3.42Å; Q84-G105 WeakPolarHBondContact CG-O 3.15Å; I102-G105 PolarHBondContact O-N 2.98Å; A103-G105 PolarHBondContact O-N 3.33Å
106G98.2Very high97.2Very high53 Ų5396.4 Ų96.455%0.54657%0.567SS.*  trans63.9-156-167.400000112.5Q84Q84-G106 WeakPolarHBondContact CG-O 3.28Å; Q84-G106 PolarHBondContact NE2-O 3.18Å
107V98.1Very high96.9Very high111 Ų11193.4 Ų93.467%0.67356%0.561SS**  trans-126.8160.7-178.4-62.70000111.8R81R81-V107 VanDerWaalsContact CZ-O 3.24Å; R81-V107 PolarHBondContact NH1-O 2.89Å; R81-V107 PolarHBondContact NH2-O 2.94Å
108L97.6Very high96.2Very high54 Ų5499.1 Ų99.128%0.28358%0.584SS.*  trans-61.1134.1169.5-68.9-175.8000109.4L85 R88 N89 N110L85-L108 HydrophobicContact CD2-CD2 3.7Å; R88-L108 HydrophobicContact CB-CD1 3.69Å; R88-L108 HydrophobicContact CB-CD2 3.96Å; R88-L108 HydrophobicContact CB-CG 3.67Å; N89-L108 WeakPolarHBondContact ND2-CD2 3.45Å; L108-N110 PolarHBondContact O-N 3.27Å; L108-N110 VanDerWaalsContact O-N 3.14Å
109P97.2Very high95.2Very high111 Ų11199.2 Ų99.272%0.72159%0.585SS**  trans-61.1117171.9-20.433.7000109.5
110N97.2Very high93.8Very high126 Ų126101.1 Ų101.167%0.67458%0.581SS**  trans-151.4128.6177.8-178.850.4000109.2L108L108-N110 PolarHBondContact O-N 3.27Å; L108-N110 VanDerWaalsContact O-N 3.14Å
111I96.9Very high92.1Very high111 Ų111103.9 Ų103.957%0.56959%0.589SS**  trans-118.6123.7174.5-59.2175.9000106.8A113 L115 L116I111-A113 PolarHBondContact O-N 3.14Å; I111-L115 HydrophobicContact CG2-CB 3.89Å; I111-L116 HydrophobicContact CB-CD2 4.3Å; I111-L116 HydrophobicContact CG2-CD2 3.81Å; I111-L116 HydrophobicContact CG2-CG 4.32Å
112Q96.9Very high90.3Very high119 Ų119102 Ų10256%0.55657%0.574SS**  trans-59.4135.9175.2-68.5-65-18.700109.7S114 L115Q112-S114 PolarHBondContact O-N 2.74Å; Q112-L115 HydrophobicContact CB-CD1 4.2Å; Q112-L115 HydrophobicContact CB-CG 4.27Å; Q112-L115 WeakPolarHBondContact O-CB 3.48Å; Q112-L115 PolarHBondContact O-N 3.41Å
113A94.6Very high88.5Confident80 Ų80108.5 Ų108.566%0.66160%0.601SS**G310 helixtrans-57-28.5-17300000113.5I111 L115 L116I111-A113 PolarHBondContact O-N 3.14Å; A113-L115 PolarHBondContact O-N 2.99Å; A113-L116 PolarHBondContact O-N 3.27Å
114S95Very high86.7Confident107 Ų107108.4 Ų108.475%0.74860%0.599SS**G310 helixtrans-66.3-20.1175.753.90000114.5Q112Q112-S114 PolarHBondContact O-N 2.74Å
115L95Very high84.9Confident130 Ų130104.7 Ų104.768%0.68159%0.592SS**G310 helixtrans-92.6-5.1179.9-56.9177.3000112.6I111 Q112 A113I111-L115 HydrophobicContact CG2-CB 3.89Å; Q112-L115 HydrophobicContact CB-CD1 4.2Å; Q112-L115 HydrophobicContact CB-CG 4.27Å; Q112-L115 WeakPolarHBondContact O-CB 3.48Å; Q112-L115 PolarHBondContact O-N 3.41Å; A113-L115 PolarHBondContact O-N 2.99Å
116L92.9Very high83.1Confident97 Ų97113.3 Ų113.351%0.50863%0.63SS.*SBendtrans-78.1142.1177.6-63.3175.6000110I111 A113 K118I111-L116 HydrophobicContact CB-CD2 4.3Å; I111-L116 HydrophobicContact CG2-CD2 3.81Å; I111-L116 HydrophobicContact CG2-CG 4.32Å; A113-L116 PolarHBondContact O-N 3.27Å; L116-K118 PolarHBondContact O-N 3.27Å
117P91.3Very high81Confident73 Ų73119 Ų11947%0.47464%0.639SS.*PPolyproline II helixtrans-59139.1175.425.2-33.6000109.8K119 L122P117-K119 PolarHBondContact O-N 3.35Å; P117-L122 HydrophobicContact CB-CG 4.42Å; P117-L122 HydrophobicContact CG-CD1 4.17Å; P117-L122 HydrophobicContact CG-CD2 4.23Å; P117-L122 HydrophobicContact CG-CG 4.28Å
118K84.5Confident78.5Confident156 Ų156125.2 Ų125.268%0.67867%0.669SS**PPolyproline II helixtrans-60.3129.5172.1-69.2-179.9-178.6174.60107.3L116 T120 E121L116-K118 PolarHBondContact O-N 3.27Å; K118-T120 PolarHBondContact O-N 3.34Å; K118-E121 PolarHBondContact O-N 2.99Å
119K76.7Confident77.5Confident187 Ų187128.8 Ų128.881%0.81369%0.688SS**THydrogen-bonded Turntrans-50.3-24.7-178.2-73.7-176.8178.31780113.5P117P117-K119 PolarHBondContact O-N 3.35Å
120T67.9Low76.5Confident119 Ų119129.7 Ų129.773%0.7369%0.686SS**THydrogen-bonded Turntrans-65.1-34.9177.4-34.30000113.4K118K118-T120 PolarHBondContact O-N 3.34Å
121E63Low75.3Confident123 Ų123129.9 Ų129.958%0.57569%0.687SS**G310 helixtrans-78.2-30.9-176.4-68.7173.4-17800112.6K118 K123 A124 S125K118-E121 PolarHBondContact O-N 2.99Å; E121-K123 PolarHBondContact O-N 3.17Å; E121-K123 VanDerWaalsContact O-N 3.15Å; E121-A124 PolarHBondContact O-N 3.43Å; E121-S125 PolarHBondContact O-N 2.87Å
122L60.3Low74.1Confident93 Ų93131.1 Ų131.149%0.48769%0.694SS.*G310 helixtrans-64.4-18.8179.1-70.4169.8000114.2P117P117-L122 HydrophobicContact CB-CG 4.42Å; P117-L122 HydrophobicContact CG-CD1 4.17Å; P117-L122 HydrophobicContact CG-CD2 4.23Å; P117-L122 HydrophobicContact CG-CG 4.28Å
123K60.5Low72.6Confident178 Ų178131.8 Ų131.877%0.77470%0.702SS**G310 helixtrans-84-25174.5-73-170.7178.3-176.60112.8E121E121-K123 PolarHBondContact O-N 3.17Å; E121-K123 VanDerWaalsContact O-N 3.15Å
124A61.2Low71.2Confident74 Ų74135.3 Ų135.361%0.61271%0.705SS**THydrogen-bonded Turntrans-79.6-35-178.800000112E121 K126E121-A124 PolarHBondContact O-N 3.43Å; A124-K126 VanDerWaalsContact C-N 3.3Å; A124-K126 PolarHBondContact O-N 2.94Å
125S59.6Low69.5Low94 Ų94137.3 Ų137.366%0.65770%0.702SS**THydrogen-bonded Turntrans-81.20.9-178.656.40000115.6E121E121-S125 PolarHBondContact O-N 2.87Å
126K61Low67.5Low184 Ų184137.8 Ų137.880%0.870%0.704SS**THydrogen-bonded Turntrans-101.85.6175.1-81.9-170.9176.2-173.10113.9A124A124-K126 VanDerWaalsContact C-N 3.3Å; A124-K126 PolarHBondContact O-N 2.94Å
127K53.7Low65.4Low172 Ų172141.3 Ų141.375%0.74872%0.72SS**  trans-100.493.3166.2-79.7-176.1173.2-174.40106.8
128D45Very low63Low242 Ų242147.5 Ų147.5100%1.29474%0.743SS**  trans178.60150.9-80.3-24.2000108.8

Retrieved 128 of 128 residues in 327.9 ms (Link to these results)