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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 A0A077Z9Y3, Species TRITR (Trichuris trichiura, Whipworm), 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
1M50.7Low63.8Low248 Ų248152.2 Ų152.2100%1.22287%0.868SS**  0123.20-84.1176.8162.900109.3G3M1-G3 PolarHBondContact O-N 3.23Å
2T58.2Low65.2Low143 Ų143145 Ų14588%0.87785%0.853SS**  trans-70.6114.5-176.944.70000112R4T2-R4 PolarHBondContact O-N 2.83Å
3G64.9Low66.6Low83 Ų83149.8 Ų149.886%0.85686%0.857SS**  trans-7784.4171.700000111.2M1 G5M1-G3 PolarHBondContact O-N 3.23Å; G3-G5 PolarHBondContact O-N 3.12Å; G3-G5 VanDerWaalsContact O-N 3.17Å
4R61.1Low68.2Low240 Ų240146.8 Ų146.891%0.90685%0.849SS**  trans-43112.9174.1-166162.9175.2127-6.6110.8T2 K6T2-R4 PolarHBondContact O-N 2.83Å; R4-K6 PolarHBondContact O-N 2.81Å
5G61.9Low69.8Low69 Ų69147.1 Ų147.171%0.71184%0.836SS**  trans-52.5120.7-179.700000110.9G3 G7G3-G5 PolarHBondContact O-N 3.12Å; G3-G5 VanDerWaalsContact O-N 3.17Å; G5-G7 PolarHBondContact O-N 2.85Å
6K62.8Low71.4Confident209 Ų209141.9 Ų141.991%0.90981%0.812SS**  trans-49.7111.8170-101.9176.1172.8171.90107.5R4 G8R4-K6 PolarHBondContact O-N 2.81Å; K6-G8 PolarHBondContact O-N 2.95Å
7G59.4Low72.9Confident72 Ų72139.2 Ų139.274%0.74279%0.785SS**  trans-44.5115.6176.800000109.4G5 K9G5-G7 PolarHBondContact O-N 2.85Å; G7-K9 PolarHBondContact O-N 3Å
8G66.9Low74.3Confident72 Ų72132.3 Ų132.374%0.74275%0.748SS**  trans-59.1108.4179.700000107.4K6 V10K6-G8 PolarHBondContact O-N 2.95Å; G8-V10 PolarHBondContact O-N 3.36Å
9K70.1Confident75.5Confident193 Ų193128.8 Ų128.884%0.83973%0.733SS**  trans-46.7120.5165.8-78.5-176.4176.4179.90105.9G7 K11G7-K9 PolarHBondContact O-N 3Å; K9-K11 PolarHBondContact O-N 3.29Å
10V72Confident76.5Confident144 Ų144131.1 Ų131.187%0.87373%0.729SS**  trans-50.6106.5176.4-177.30000105.8G8 G12G8-V10 PolarHBondContact O-N 3.36Å; V10-G12 PolarHBondContact O-N 2.87Å
11K74.3Confident77.5Confident201 Ų201126.8 Ų126.887%0.87471%0.711SS**  trans-61.2113-178-79.2-176.6178.2175.80105.5K9 K13K9-K11 PolarHBondContact O-N 3.29Å; K11-K13 PolarHBondContact O-N 3.2Å
12G80.2Confident79.8Confident66 Ų66118 Ų11868%0.6868%0.684SS**PPolyproline II helixtrans-51.7143.6174.700000109.4V10 S14V10-G12 PolarHBondContact O-N 2.87Å; G12-S14 PolarHBondContact O-N 3.34Å
13K83.2Confident81.7Confident208 Ų208112.5 Ų112.590%0.90465%0.649SS**PPolyproline II helixtrans-51.8126.8177.9-74.4-179.9178.5175.90108.9K11 K15K11-K13 PolarHBondContact O-N 3.2Å; K13-K15 PolarHBondContact O-N 3.08Å; K13-K15 VanDerWaalsContact O-N 3.16Å
14S88.9Confident83.3Confident107 Ų107116.5 Ų116.575%0.74865%0.645SS**PPolyproline II helixtrans-60.2120.8177.5-174.80000109.3G12 S16G12-S14 PolarHBondContact O-N 3.34Å; S14-S16 PolarHBondContact O-N 3.27Å
15K92.5Very high85.1Confident151 Ų151107.7 Ų107.766%0.65761%0.613SS**PPolyproline II helixtrans-61.7130173.6-70.7-174.1176.5-176.70109.4K13 R20K13-K15 PolarHBondContact O-N 3.08Å; K13-K15 VanDerWaalsContact O-N 3.16Å; K15-R20 HydrophobicContact CB-CG 4.09Å; K15-R20 PolarHBondContact O-NE 3Å
16S95.8Very high86.8Confident65 Ų65106.4 Ų106.446%0.45559%0.592SS.*PPolyproline II helixtrans-65.9154.5178.676.10000110.8S14 S18 S19 R20S14-S16 PolarHBondContact O-N 3.27Å; S16-S18 PolarHBondContact O-N 3.12Å; S16-S19 PolarHBondContact N-OG 2.87Å; S16-S19 PolarHBondContact O-N 2.87Å; S16-S19 PolarHBondContact O-OG 3.33Å; S16-S19 WeakPolarHBondContact OG-CB 3.49Å; S16-S19 PolarHBondContact OG-N 3.24Å; S16-S19 PolarHBondContact OG-OG 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.29Å; S16-R20 PolarHBondContact O-N 3.15Å
17R96.4Very high88.5Confident95 Ų9596.4 Ų96.436%0.35855%0.549SS..Hα-helixtrans-58.4-36.5174.6-74.3-168.8-77.4160.4-4.1112.5R20 A21 V27 H31R17-R20 PolarHBondContact O-N 3.36Å; R17-A21 WeakPolarHBondContact O-CB 3.5Å; R17-A21 PolarHBondContact O-N 3.48Å; R17-V27 HydrophobicContact CB-CB 4.11Å; R17-V27 HydrophobicContact CB-CG1 3.84Å; R17-H31 PolarHBondContact NH1-ND1 3.26Å; R17-H31 VanDerWaalsContact NH1-ND1 3.12Å; R17-H31 VanDerWaalsContact NH2-CB 3.31Å; R17-H31 PolarHBondContact NH2-ND1 2.73Å
18S98Very high90.3Very high15 Ų1594.6 Ų94.611%0.10553%0.531CS..Hα-helixtrans-60.9-49.9173.5-60.90000111.9S16 R20 A21 G22 L23 F25 P26 V27S16-S18 PolarHBondContact O-N 3.12Å; S18-R20 VanDerWaalsContact C-N 3.25Å; S18-R20 PolarHBondContact O-N 2.92Å; S18-A21 CarbonylContact O-C 3.34Å; S18-A21 PolarHBondContact O-N 3.24Å; S18-G22 PolarHBondContact O-N 3.4Å; S18-L23 CarbonylContact C-O 3.51Å; S18-L23 WeakPolarHBondContact CB-O 3.39Å; S18-L23 PolarHBondContact O-N 3.32Å; S18-F25 WeakPolarHBondContact CB-O 3.44Å; S18-F25 PolarHBondContact OG-O 3.4Å; S18-P26 WeakPolarHBondContact OG-CA 3.35Å; S18-V27 PolarHBondContact OG-N 3.07Å
19S97Very high91.8Very high67 Ų6798.3 Ų98.347%0.46952%0.522SS..Hα-helixtrans-62.7-30.2177.767.30000113.6S16S16-S19 PolarHBondContact N-OG 2.87Å; S16-S19 PolarHBondContact O-N 2.87Å; S16-S19 PolarHBondContact O-OG 3.33Å; S16-S19 WeakPolarHBondContact OG-CB 3.49Å; S16-S19 PolarHBondContact OG-N 3.24Å; S16-S19 PolarHBondContact OG-OG 3.22Å
20R96.5Very high93.2Very high174 Ų17490.1 Ų90.166%0.65749%0.487SS*.Hα-helixtrans-74.9-30.9174.3-70.2176.5-176.2-178.21112.5K15 S16 R17 S18K15-R20 HydrophobicContact CB-CG 4.09Å; K15-R20 PolarHBondContact O-NE 3Å; S16-R20 WeakPolarHBondContact O-CG 3.29Å; S16-R20 PolarHBondContact O-N 3.15Å; R17-R20 PolarHBondContact O-N 3.36Å; S18-R20 VanDerWaalsContact C-N 3.25Å; S18-R20 PolarHBondContact O-N 2.92Å
21A97.4Very high94.4Very high41 Ų4184.8 Ų84.834%0.33945%0.453SS..Hα-helixtrans-86.8-7.617800000113.4R17 S18 L23 V49R17-A21 WeakPolarHBondContact O-CB 3.5Å; R17-A21 PolarHBondContact O-N 3.48Å; S18-A21 CarbonylContact O-C 3.34Å; S18-A21 PolarHBondContact O-N 3.24Å; A21-L23 VanDerWaalsContact C-N 3.32Å; A21-L23 HydrophobicContact CB-CD1 3.95Å; A21-L23 HydrophobicContact CB-CG 4.03Å; A21-V49 HydrophobicContact CB-CG1 3.9Å
22G97.8Very high95.6Very high64 Ų6483.3 Ų83.366%0.6644%0.442SS*.THydrogen-bonded Turntrans73.222.3-175.400000114.1S18S18-G22 PolarHBondContact O-N 3.4Å
23L98.4Very high96.4Very high26 Ų2684.4 Ų84.414%0.13643%0.431CS..  trans-107.1140.2-175.4-63.2175.5000111.1S18 A21 V27 V49 A52 A53 E56S18-L23 CarbonylContact C-O 3.51Å; S18-L23 WeakPolarHBondContact CB-O 3.39Å; S18-L23 PolarHBondContact O-N 3.32Å; A21-L23 VanDerWaalsContact C-N 3.32Å; A21-L23 HydrophobicContact CB-CD1 3.95Å; A21-L23 HydrophobicContact CB-CG 4.03Å; L23-V27 HydrophobicContact CD1-CG2 3.85Å; L23-V49 HydrophobicContact CD1-CG1 4.26Å; L23-A52 HydrophobicContact CD1-CB 3.81Å; L23-A53 HydrophobicContact CD1-CB 4.05Å; L23-A53 HydrophobicContact CD2-CB 3.9Å; L23-E56 WeakPolarHBondContact CA-OE2 3.33Å; L23-E56 WeakPolarHBondContact CB-OE2 3.31Å
24Q98.4Very high97.1Very high168 Ų16875.8 Ų75.879%0.78540%0.395SS*.SBendtrans-74.3-31.3166.1-62.5-56.7-4100111.2E56Q24-E56 VanDerWaalsContact N-CD 3.34Å; Q24-E56 PolarHBondContact N-OE1 3.25Å; Q24-E56 VanDerWaalsContact N-OE1 3.07Å; Q24-E56 PolarHBondContact N-OE2 3.11Å
25F98.5Very high97.5Very high54 Ų5477.3 Ų77.324%0.23738%0.384CS..SBendtrans-73.8146.1-174.5-82.939.7000111.4S18 V27 A52 I55 E56 T59S18-F25 WeakPolarHBondContact CB-O 3.44Å; S18-F25 PolarHBondContact OG-O 3.4Å; F25-V27 PolarHBondContact O-N 3.27Å; F25-A52 HydrophobicContact CB-CB 4.3Å; F25-I55 HydrophobicContact CD2-CB 4.15Å; F25-I55 HydrophobicContact CD2-CG2 3.97Å; F25-I55 HydrophobicContact CE2-CB 4.18Å; F25-I55 HydrophobicContact CE2-CG2 3.58Å; F25-E56 HydrophobicContact CB-CB 4.09Å; F25-E56 WeakPolarHBondContact CB-OE2 3.28Å; F25-E56 HydrophobicContact CD1-CB 3.7Å; F25-E56 HydrophobicContact CD1-CG 3.63Å; F25-E56 HydrophobicContact CD2-CB 3.98Å; F25-E56 HydrophobicContact CE1-CB 4.13Å; F25-E56 HydrophobicContact CE1-CG 3.99Å; F25-E56 HydrophobicContact CE2-CB 4.39Å; F25-E56 HydrophobicContact CG-CB 3.64Å; F25-E56 HydrophobicContact CG-CG 4.1Å; F25-E56 HydrophobicContact CZ-CB 4.46Å; F25-E56 PolarHBondContact N-OE2 3.07Å; F25-T59 HydrophobicContact CZ-CG2 3.86Å; F25-T59 WeakPolarHBondContact CZ-OG1 3.37Å
26P98.3Very high97.7Very high42 Ų4280 Ų8027%0.27339%0.39SS..  trans-82.582.6-166.533.8-38.1000112.7S18 G28 R29 I30S18-P26 WeakPolarHBondContact OG-CA 3.35Å; P26-G28 PolarHBondContact O-N 2.99Å; P26-G28 VanDerWaalsContact O-N 3.11Å; P26-R29 HydrophobicContact CB-CB 3.82Å; P26-R29 HydrophobicContact CG-CB 4.02Å; P26-R29 WeakPolarHBondContact O-CB 3.33Å; P26-R29 PolarHBondContact O-N 3.28Å; P26-I30 PolarHBondContact O-N 3.25Å
27V98.6Very high97.8Very high0 Ų078.6 Ų78.60%039%0.386CS..Hα-helixtrans-47.4-41.5173.8176.90000111.9R17 S18 L23 F25 R29 I30 H31 P48 V49 A52R17-V27 HydrophobicContact CB-CB 4.11Å; R17-V27 HydrophobicContact CB-CG1 3.84Å; S18-V27 PolarHBondContact OG-N 3.07Å; L23-V27 HydrophobicContact CD1-CG2 3.85Å; F25-V27 PolarHBondContact O-N 3.27Å; V27-R29 PolarHBondContact O-N 2.93Å; V27-I30 PolarHBondContact O-N 3.06Å; V27-H31 PolarHBondContact O-N 3.34Å; V27-P48 HydrophobicContact CG1-CB 4.2Å; V27-P48 HydrophobicContact CG1-CG 4.38Å; V27-V49 HydrophobicContact CG1-CG2 3.69Å; V27-A52 HydrophobicContact CG2-CB 3.79Å
28G98Very high97.8Very high34 Ų3480.6 Ų80.635%0.35140%0.404SS..Hα-helixtrans-59.2-45.4178.300000113.3P26 R32P26-G28 PolarHBondContact O-N 2.99Å; P26-G28 VanDerWaalsContact O-N 3.11Å; G28-R32 PolarHBondContact O-N 3.4Å
29R98.4Very high97.6Very high150 Ų15088.3 Ų88.357%0.56643%0.432SS*.Hα-helixtrans-70.5-43.7-179.8-174.2-176.6-64.5154.60.1110.7P26 V27 H31 R32 L33P26-R29 HydrophobicContact CB-CB 3.82Å; P26-R29 HydrophobicContact CG-CB 4.02Å; P26-R29 WeakPolarHBondContact O-CB 3.33Å; P26-R29 PolarHBondContact O-N 3.28Å; V27-R29 PolarHBondContact O-N 2.93Å; R29-H31 VanDerWaalsContact C-N 3.34Å; R29-H31 PolarHBondContact O-N 3.21Å; R29-R32 WeakPolarHBondContact O-CB 3.17Å; R29-R32 PolarHBondContact O-N 3.26Å; R29-R32 VanDerWaalsContact O-N 3.16Å; R29-L33 HydrophobicContact CG-CD1 4.23Å; R29-L33 WeakPolarHBondContact O-CG 3.41Å; R29-L33 PolarHBondContact O-N 3.26Å
30I98.3Very high97.6Very high21 Ų2187.9 Ų87.911%0.10843%0.433CS..Hα-helixtrans-60.6-44178.4-69.1167.1000110.4P26 V27 R32 L33 L34 P48 L51 A52P26-I30 PolarHBondContact O-N 3.25Å; V27-I30 PolarHBondContact O-N 3.06Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.34Å; I30-L33 PolarHBondContact O-N 3.28Å; I30-L34 HydrophobicContact CG2-CD1 3.98Å; I30-L34 HydrophobicContact CG2-CG 4.27Å; I30-L34 WeakPolarHBondContact O-CG 3.5Å; I30-L34 PolarHBondContact O-N 3.12Å; I30-P48 HydrophobicContact CB-CB 4.37Å; I30-P48 HydrophobicContact CG2-CB 4Å; I30-L51 HydrophobicContact CG2-CB 4.25Å; I30-L51 HydrophobicContact CG2-CD2 3.84Å; I30-L51 HydrophobicContact CG2-CG 4.21Å; I30-A52 HydrophobicContact CD1-CB 3.53Å
31H98.3Very high97.6Very high31 Ų3189 Ų8914%0.14445%0.445CS..Hα-helixtrans-57.8-44175-173.4-148.6000112.8R17 V27 R29 L33 L34 R35 P48R17-H31 PolarHBondContact NH1-ND1 3.26Å; R17-H31 VanDerWaalsContact NH1-ND1 3.12Å; R17-H31 VanDerWaalsContact NH2-CB 3.31Å; R17-H31 PolarHBondContact NH2-ND1 2.73Å; V27-H31 PolarHBondContact O-N 3.34Å; R29-H31 VanDerWaalsContact C-N 3.34Å; R29-H31 PolarHBondContact O-N 3.21Å; H31-L33 VanDerWaalsContact C-N 3.34Å; H31-L34 PolarHBondContact O-N 2.85Å; H31-R35 PolarHBondContact CE1-NE 3.28Å; H31-R35 PolarHBondContact NE2-NE 2.98Å; H31-R35 PolarHBondContact O-N 2.81Å; H31-R35 VanDerWaalsContact O-N 3.1Å; H31-P48 HydrophobicContact CB-CB 3.66Å; H31-P48 HydrophobicContact CB-CG 3.72Å
32R98Very high97.6Very high171 Ų17197.7 Ų97.765%0.64547%0.469SS*.Hα-helixtrans-63.3-42178.2-175.8-177.466.8170.72.6111.2G28 R29 I30 R35 R36G28-R32 PolarHBondContact O-N 3.4Å; R29-R32 WeakPolarHBondContact O-CB 3.17Å; R29-R32 PolarHBondContact O-N 3.26Å; R29-R32 VanDerWaalsContact O-N 3.16Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.34Å; R32-R35 PolarHBondContact O-N 2.99Å; R32-R36 PolarHBondContact O-N 2.97Å
33L98.3Very high97.6Very high89 Ų8995.7 Ų95.747%0.46644%0.443SS..Hα-helixtrans-67.8-41.8178.2-68.2175.4000112R29 I30 H31 R35 R36 G37R29-L33 HydrophobicContact CG-CD1 4.23Å; R29-L33 WeakPolarHBondContact O-CG 3.41Å; R29-L33 PolarHBondContact O-N 3.26Å; I30-L33 PolarHBondContact O-N 3.28Å; H31-L33 VanDerWaalsContact C-N 3.34Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 2.97Å; L33-R36 PolarHBondContact O-N 2.92Å; L33-G37 PolarHBondContact O-N 3.35Å
34L98Very high97.5Very high27 Ų2796.6 Ų96.614%0.14146%0.459CS..Hα-helixtrans-59.4-40.9175.1-72.6172.6000112I30 H31 Y39 I43 P48 L51I30-L34 HydrophobicContact CG2-CD1 3.98Å; I30-L34 HydrophobicContact CG2-CG 4.27Å; I30-L34 WeakPolarHBondContact O-CG 3.5Å; I30-L34 PolarHBondContact O-N 3.12Å; H31-L34 PolarHBondContact O-N 2.85Å; L34-Y39 HydrophobicContact CD2-CD2 3.96Å; L34-Y39 HydrophobicContact CD2-CE2 4.18Å; L34-Y39 WeakPolarHBondContact O-CD2 3.47Å; L34-I43 HydrophobicContact CB-CD1 4.31Å; L34-I43 HydrophobicContact CB-CG1 4.26Å; L34-I43 HydrophobicContact CB-CG2 4.07Å; L34-I43 HydrophobicContact CD1-CG2 4.12Å; L34-P48 HydrophobicContact CD1-CB 4.16Å; L34-L51 HydrophobicContact CD1-CD2 4.34Å; L34-L51 HydrophobicContact CD2-CD2 4Å; L34-L51 HydrophobicContact CG-CD2 4.44Å
35R96.9Very high97.4Very high139 Ų13992.3 Ų92.353%0.52545%0.452SS..Hα-helixtrans-66.9-41.8174.4-74.5-174.5175-103.9-4.5112.6H31 R32 L33 G37 N38 I43H31-R35 PolarHBondContact CE1-NE 3.28Å; H31-R35 PolarHBondContact NE2-NE 2.98Å; H31-R35 PolarHBondContact O-N 2.81Å; H31-R35 VanDerWaalsContact O-N 3.1Å; R32-R35 PolarHBondContact O-N 2.99Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 2.97Å; R35-G37 VanDerWaalsContact C-N 3.3Å; R35-G37 PolarHBondContact O-N 3.42Å; R35-N38 PolarHBondContact O-N 3.42Å; R35-N38 PolarHBondContact O-OD1 2.93Å; R35-I43 HydrophobicContact CG-CB 4.23Å; R35-I43 HydrophobicContact CG-CG1 3.93Å
36R97.4Very high97.4Very high207 Ų20792.1 Ų92.178%0.78147%0.465SS*.Hα-helixtrans-66.2-32.6178.1-175.2-179.6178-173.30.9112.4R32 L33 N38R32-R36 PolarHBondContact O-N 2.97Å; L33-R36 PolarHBondContact O-N 2.92Å; R36-N38 PolarHBondContact O-N 2.82Å
37G97.3Very high97.4Very high35 Ų3592.3 Ų92.336%0.36147%0.47SS..THydrogen-bonded Turntrans-74.4-4.9179.300000114.7L33 R35 Y39L33-G37 PolarHBondContact O-N 3.35Å; R35-G37 VanDerWaalsContact C-N 3.3Å; R35-G37 PolarHBondContact O-N 3.42Å; G37-Y39 PolarHBondContact O-N 2.9Å; G37-Y39 VanDerWaalsContact O-N 3.12Å
38N95.4Very high97.4Very high138 Ų13892.3 Ų92.374%0.73847%0.47SS*.THydrogen-bonded Turntrans50.933.9179.6-61.7-28.1000114R35 R36 A40R35-N38 PolarHBondContact O-N 3.42Å; R35-N38 PolarHBondContact O-OD1 2.93Å; R36-N38 PolarHBondContact O-N 2.82Å; N38-A40 PolarHBondContact O-N 3.23Å
39Y95.1Very high97.4Very high177 Ų17793 Ų9369%0.69447%0.468SS*.SBendtrans-67.8-20.7-177.2-61.4-71.4000114L34 G37L34-Y39 HydrophobicContact CD2-CD2 3.96Å; L34-Y39 HydrophobicContact CD2-CE2 4.18Å; L34-Y39 WeakPolarHBondContact O-CD2 3.47Å; G37-Y39 PolarHBondContact O-N 2.9Å; G37-Y39 VanDerWaalsContact O-N 3.12Å
40A96.3Very high97.4Very high58 Ų5894.2 Ų94.248%0.47947%0.474SS..SBendtrans-160.3159174.300000109.4N38 R42 I43N38-A40 PolarHBondContact O-N 3.23Å; A40-R42 PolarHBondContact O-N 3.37Å; A40-I43 HydrophobicContact CB-CD1 4.21Å
41E96.2Very high97.4Very high198 Ų19896.3 Ų96.393%0.92549%0.485SS*.SBendtrans-58.3-35.5175.1-63.8-177.3175.600112.6
42R97.4Very high97.4Very high223 Ų22394.8 Ų94.884%0.84248%0.478SS*.  trans-131.8127.6-179.8-63.1-176.6179.9-167.40.4110.4A40A40-R42 PolarHBondContact O-N 3.37Å
43I97.5Very high97.5Very high21 Ų2188.4 Ų88.411%0.10846%0.461CS..  trans-100112.6171.2-54.2-59.8000108.8L34 R35 A40 A47L34-I43 HydrophobicContact CB-CD1 4.31Å; L34-I43 HydrophobicContact CB-CG1 4.26Å; L34-I43 HydrophobicContact CB-CG2 4.07Å; L34-I43 HydrophobicContact CD1-CG2 4.12Å; R35-I43 HydrophobicContact CG-CB 4.23Å; R35-I43 HydrophobicContact CG-CG1 3.93Å; A40-I43 HydrophobicContact CB-CD1 4.21Å; I43-A47 HydrophobicContact CG2-CB 4.17Å
44G97.5Very high97.5Very high45 Ų4586.7 Ų86.746%0.46446%0.455SS..  trans-64.5151.1176.600000112.5G46 A47 P48G44-G46 PolarHBondContact O-N 3.07Å; G44-A47 WeakPolarHBondContact O-CB 3.49Å; G44-A47 PolarHBondContact O-N 3.22Å; G44-P48 WeakPolarHBondContact O-CD 3.24Å
45A95.5Very high97.5Very high79 Ų7988.7 Ų88.765%0.65346%0.464SS*.THydrogen-bonded Turntrans-63.8-28.7-175.300000113.8P48A45-P48 WeakPolarHBondContact O-CD 3.46Å; A45-P48 WeakPolarHBondContact O-CG 3.38Å
46G97.8Very high97.6Very high49 Ų4983.8 Ų83.851%0.50545%0.448SS..THydrogen-bonded Turntrans-77.1-28.3177.300000114.3G44 V49 Y50G44-G46 PolarHBondContact O-N 3.07Å; G46-V49 WeakPolarHBondContact O-CB 3.42Å; G46-V49 PolarHBondContact O-N 2.69Å; G46-Y50 PolarHBondContact O-N 3.3Å
47A98.3Very high97.6Very high46 Ų4680.7 Ų80.738%0.3844%0.437SS..Hα-helixtrans-53.8-49.7-179.400000113.9I43 G44 V49 Y50 L51I43-A47 HydrophobicContact CG2-CB 4.17Å; G44-A47 WeakPolarHBondContact O-CB 3.49Å; G44-A47 PolarHBondContact O-N 3.22Å; A47-V49 VanDerWaalsContact C-N 3.29Å; A47-V49 PolarHBondContact O-N 3Å; A47-Y50 PolarHBondContact O-N 3.41Å; A47-L51 WeakPolarHBondContact O-CB 3.43Å; A47-L51 PolarHBondContact O-N 2.82Å
48P98.5Very high97.7Very high0 Ų081.6 Ų81.60%043%0.433CS..Hα-helixtrans-70.2-21.8176.629-37.8000114.2V27 I30 H31 L34 G44 A45 A52V27-P48 HydrophobicContact CG1-CB 4.2Å; V27-P48 HydrophobicContact CG1-CG 4.38Å; I30-P48 HydrophobicContact CB-CB 4.37Å; I30-P48 HydrophobicContact CG2-CB 4Å; H31-P48 HydrophobicContact CB-CB 3.66Å; H31-P48 HydrophobicContact CB-CG 3.72Å; L34-P48 HydrophobicContact CD1-CB 4.16Å; G44-P48 WeakPolarHBondContact O-CD 3.24Å; A45-P48 WeakPolarHBondContact O-CD 3.46Å; A45-P48 WeakPolarHBondContact O-CG 3.38Å; P48-A52 WeakPolarHBondContact O-CB 3.41Å; P48-A52 PolarHBondContact O-N 3.4Å; P48-A52 VanDerWaalsContact O-N 3.17Å
49V98.6Very high97.8Very high50 Ų5077.3 Ų77.330%0.30341%0.412SS..Hα-helixtrans-73.9-50.2174.9178.10000109.2A21 L23 V27 G46 A47 A52 A53A21-V49 HydrophobicContact CB-CG1 3.9Å; L23-V49 HydrophobicContact CD1-CG1 4.26Å; V27-V49 HydrophobicContact CG1-CG2 3.69Å; G46-V49 WeakPolarHBondContact O-CB 3.42Å; G46-V49 PolarHBondContact O-N 2.69Å; A47-V49 VanDerWaalsContact C-N 3.29Å; A47-V49 PolarHBondContact O-N 3Å; V49-A52 PolarHBondContact O-N 3.22Å; V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 3.39Å
50Y98.7Very high98Very high174 Ų17471.6 Ų71.668%0.68240%0.401SS*.Hα-helixtrans-57.8-50.9177.4-179.9-97.2000111.5G46 A47 A52 A53 V54G46-Y50 PolarHBondContact O-N 3.3Å; A47-Y50 PolarHBondContact O-N 3.41Å; Y50-A52 VanDerWaalsContact C-N 3.33Å; Y50-A52 PolarHBondContact O-N 3.2Å; Y50-A53 PolarHBondContact O-N 3.46Å; Y50-V54 HydrophobicContact CD1-CG2 4.31Å; Y50-V54 HydrophobicContact CE1-CG2 3.9Å; Y50-V54 HydrophobicContact CE2-CG2 4.25Å; Y50-V54 WeakPolarHBondContact O-CG2 3.3Å; Y50-V54 PolarHBondContact O-N 3.24Å
51L98.6Very high98.1Very high65 Ų6571.5 Ų71.534%0.3439%0.391SS..Hα-helixtrans-63.6-38.3179.5-176.959.4000112.2I30 L34 A47 I55I30-L51 HydrophobicContact CG2-CB 4.25Å; I30-L51 HydrophobicContact CG2-CD2 3.84Å; I30-L51 HydrophobicContact CG2-CG 4.21Å; L34-L51 HydrophobicContact CD1-CD2 4.34Å; L34-L51 HydrophobicContact CD2-CD2 4Å; L34-L51 HydrophobicContact CG-CD2 4.44Å; A47-L51 WeakPolarHBondContact O-CB 3.43Å; A47-L51 PolarHBondContact O-N 2.82Å; L51-I55 HydrophobicContact CD1-CD1 3.83Å; L51-I55 HydrophobicContact CD1-CG1 4.07Å; L51-I55 HydrophobicContact CG-CD1 3.85Å; L51-I55 HydrophobicContact CG-CG1 4.47Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.11Å; L51-I55 PolarHBondContact O-N 3.19Å; L51-I55 VanDerWaalsContact O-N 3.13Å
52A98.7Very high98.2Very high0 Ų063.3 Ų63.30%036%0.355CS..Hα-helixtrans-61.6-45.2174.600000111.7L23 F25 V27 I30 P48 V49 Y50 I55 E56L23-A52 HydrophobicContact CD1-CB 3.81Å; F25-A52 HydrophobicContact CB-CB 4.3Å; V27-A52 HydrophobicContact CG2-CB 3.79Å; I30-A52 HydrophobicContact CD1-CB 3.53Å; P48-A52 WeakPolarHBondContact O-CB 3.41Å; P48-A52 PolarHBondContact O-N 3.4Å; P48-A52 VanDerWaalsContact O-N 3.17Å; V49-A52 PolarHBondContact O-N 3.22Å; Y50-A52 VanDerWaalsContact C-N 3.33Å; Y50-A52 PolarHBondContact O-N 3.2Å; A52-I55 PolarHBondContact O-N 2.97Å; A52-E56 VanDerWaalsContact O-CB 3.24Å; A52-E56 WeakPolarHBondContact O-CB 3.48Å; A52-E56 PolarHBondContact O-N 3.21Å
53A98.8Very high98.2Very high36 Ų3656.9 Ų56.930%0.29834%0.336SS..Hα-helixtrans-62.5-45.1179.800000112.1L23 V49 Y50 E56 Y57L23-A53 HydrophobicContact CD1-CB 4.05Å; L23-A53 HydrophobicContact CD2-CB 3.9Å; V49-A53 WeakPolarHBondContact O-CB 3.34Å; V49-A53 PolarHBondContact O-N 3.39Å; Y50-A53 PolarHBondContact O-N 3.46Å; A53-E56 PolarHBondContact O-N 2.76Å; A53-Y57 WeakPolarHBondContact O-CB 3.44Å; A53-Y57 PolarHBondContact O-N 2.83Å
54V98.6Very high98.3Very high54 Ų5461.5 Ų61.533%0.32736%0.358SS..Hα-helixtrans-63.4-45.2179.3172.60000111.5Y50 Y57 L58Y50-V54 HydrophobicContact CD1-CG2 4.31Å; Y50-V54 HydrophobicContact CE1-CG2 3.9Å; Y50-V54 HydrophobicContact CE2-CG2 4.25Å; Y50-V54 WeakPolarHBondContact O-CG2 3.3Å; Y50-V54 PolarHBondContact O-N 3.24Å; V54-Y57 PolarHBondContact O-N 3.37Å; V54-L58 HydrophobicContact CG1-CD1 4.08Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.47Å
55I98.4Very high98.3Very high68 Ų6861.5 Ų61.535%0.34935%0.347SS..Hα-helixtrans-68.3-38.6179-57.6169.5000110.3F25 L51 A52 T59F25-I55 HydrophobicContact CD2-CB 4.15Å; F25-I55 HydrophobicContact CD2-CG2 3.97Å; F25-I55 HydrophobicContact CE2-CB 4.18Å; F25-I55 HydrophobicContact CE2-CG2 3.58Å; L51-I55 HydrophobicContact CD1-CD1 3.83Å; L51-I55 HydrophobicContact CD1-CG1 4.07Å; L51-I55 HydrophobicContact CG-CD1 3.85Å; L51-I55 HydrophobicContact CG-CG1 4.47Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.11Å; L51-I55 PolarHBondContact O-N 3.19Å; L51-I55 VanDerWaalsContact O-N 3.13Å; A52-I55 PolarHBondContact O-N 2.97Å; I55-T59 VanDerWaalsContact O-CB 3.3Å; I55-T59 WeakPolarHBondContact O-CB 3.33Å; I55-T59 PolarHBondContact O-N 2.71Å; I55-T59 PolarHBondContact O-OG1 3.36Å
56E98.7Very high98.5Very high37 Ų3757.8 Ų57.817%0.17332%0.316CS..Hα-helixtrans-60.6-48.3175.6-176165.1151.500111.4L23 Q24 F25 A52 A53 T59 A60L23-E56 WeakPolarHBondContact CA-OE2 3.33Å; L23-E56 WeakPolarHBondContact CB-OE2 3.31Å; Q24-E56 VanDerWaalsContact N-CD 3.34Å; Q24-E56 PolarHBondContact N-OE1 3.25Å; Q24-E56 VanDerWaalsContact N-OE1 3.07Å; Q24-E56 PolarHBondContact N-OE2 3.11Å; F25-E56 HydrophobicContact CB-CB 4.09Å; F25-E56 WeakPolarHBondContact CB-OE2 3.28Å; F25-E56 HydrophobicContact CD1-CB 3.7Å; F25-E56 HydrophobicContact CD1-CG 3.63Å; F25-E56 HydrophobicContact CD2-CB 3.98Å; F25-E56 HydrophobicContact CE1-CB 4.13Å; F25-E56 HydrophobicContact CE1-CG 3.99Å; F25-E56 HydrophobicContact CE2-CB 4.39Å; F25-E56 HydrophobicContact CG-CB 3.64Å; F25-E56 HydrophobicContact CG-CG 4.1Å; F25-E56 HydrophobicContact CZ-CB 4.46Å; F25-E56 PolarHBondContact N-OE2 3.07Å; A52-E56 VanDerWaalsContact O-CB 3.24Å; A52-E56 WeakPolarHBondContact O-CB 3.48Å; A52-E56 PolarHBondContact O-N 3.21Å; A53-E56 PolarHBondContact O-N 2.76Å; E56-T59 PolarHBondContact O-N 2.94Å; E56-A60 WeakPolarHBondContact O-CB 3.41Å; E56-A60 PolarHBondContact O-N 3.48Å
57Y98.2Very high98.5Very high142 Ų14256.7 Ų56.756%0.55731%0.305SS*.Hα-helixtrans-56.7-54.2176.4170-100.7000111.9A53 V54 T59 A60 E61A53-Y57 WeakPolarHBondContact O-CB 3.44Å; A53-Y57 PolarHBondContact O-N 2.83Å; V54-Y57 PolarHBondContact O-N 3.37Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 3.01Å; Y57-A60 PolarHBondContact O-N 3.3Å; Y57-A60 VanDerWaalsContact O-N 3.17Å; Y57-E61 PolarHBondContact O-N 3.19Å
58L98.1Very high98.5Very high53 Ų5358.2 Ų58.228%0.27731%0.307SS..Hα-helixtrans-61.5-36.2179.7-69172000112.2V54 V62 F96V54-L58 HydrophobicContact CG1-CD1 4.08Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.47Å; L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 3.47Å; L58-F96 HydrophobicContact CD1-CE1 4.16Å; L58-F96 HydrophobicContact CD1-CZ 4Å; L58-F96 HydrophobicContact CD2-CE1 4.48Å
59T98.5Very high98.5Very high49 Ų4958.8 Ų58.830%0.30131%0.311SS..Hα-helixtrans-69.8-41.9177.5-55.60000111.1F25 I55 E56 Y57 L63F25-T59 HydrophobicContact CZ-CG2 3.86Å; F25-T59 WeakPolarHBondContact CZ-OG1 3.37Å; I55-T59 VanDerWaalsContact O-CB 3.3Å; I55-T59 WeakPolarHBondContact O-CB 3.33Å; I55-T59 PolarHBondContact O-N 2.71Å; I55-T59 PolarHBondContact O-OG1 3.36Å; E56-T59 PolarHBondContact O-N 2.94Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 3.01Å; T59-L63 HydrophobicContact CG2-CD1 3.68Å; T59-L63 HydrophobicContact CG2-CG 4.11Å; T59-L63 VanDerWaalsContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CG 3.49Å; T59-L63 PolarHBondContact O-N 3.01Å
60A98.4Very high98.5Very high56 Ų5656.6 Ų56.646%0.46330%0.298SS..Hα-helixtrans-60.3-47.5177.800000111.1E56 Y57 V62 L63 E64E56-A60 WeakPolarHBondContact O-CB 3.41Å; E56-A60 PolarHBondContact O-N 3.48Å; Y57-A60 PolarHBondContact O-N 3.3Å; Y57-A60 VanDerWaalsContact O-N 3.17Å; A60-V62 PolarHBondContact O-N 2.75Å; A60-L63 PolarHBondContact O-N 3.17Å; A60-E64 WeakPolarHBondContact O-CB 3.47Å; A60-E64 PolarHBondContact O-N 3.11Å
61E98.1Very high98.5Very high56 Ų5657.7 Ų57.726%0.26230%0.301SS..Hα-helixtrans-57.1-50.6178.6-169.261.8-145.100112Y57 L63 E64 L65 L93Y57-E61 PolarHBondContact O-N 3.19Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 2.84Å; E61-E64 PolarHBondContact O-N 3Å; E61-L65 WeakPolarHBondContact O-CG 3.3Å; E61-L65 PolarHBondContact O-N 3.28Å; E61-L93 HydrophobicContact CG-CD1 4.31Å
62V98.5Very high98.4Very high27 Ų2760.5 Ų60.516%0.16432%0.317CS..Hα-helixtrans-62.9-40.5178.6173.30000111.4L58 A60 A66 L83 I87 L93L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 3.47Å; A60-V62 PolarHBondContact O-N 2.75Å; V62-A66 WeakPolarHBondContact O-CB 3.33Å; V62-A66 PolarHBondContact O-N 3.35Å; V62-L83 HydrophobicContact CG1-CD2 3.8Å; V62-I87 HydrophobicContact CG1-CD1 4.19Å; V62-I87 HydrophobicContact CG1-CG1 4.34Å; V62-L93 HydrophobicContact CG2-CD1 3.95Å; V62-L93 HydrophobicContact CG2-CD2 3.87Å
63L98.5Very high98.4Very high88 Ų8864.2 Ų64.246%0.46134%0.337SS..Hα-helixtrans-73.5-33.3-178.6-72179.6000112.9T59 A60 E61 G67 I78T59-L63 HydrophobicContact CG2-CD1 3.68Å; T59-L63 HydrophobicContact CG2-CG 4.11Å; T59-L63 VanDerWaalsContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CG 3.49Å; T59-L63 PolarHBondContact O-N 3.01Å; A60-L63 PolarHBondContact O-N 3.17Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-G67 WeakPolarHBondContact O-CA 3.24Å; L63-G67 PolarHBondContact O-N 2.9Å; L63-I78 HydrophobicContact CD2-CD1 4.03Å
64E98.5Very high98.3Very high118 Ų11871.9 Ų71.955%0.55136%0.363SS*.Hα-helixtrans-62.4-55.6174.4176.2168.3-144.200110.2A60 E61 A66 G67 N68A60-E64 WeakPolarHBondContact O-CB 3.47Å; A60-E64 PolarHBondContact O-N 3.11Å; E61-E64 PolarHBondContact O-N 3Å; E64-A66 PolarHBondContact O-N 2.95Å; E64-G67 WeakPolarHBondContact O-CA 3.27Å; E64-G67 PolarHBondContact O-N 2.93Å; E64-G67 VanDerWaalsContact O-N 3.12Å; E64-N68 PolarHBondContact O-N 3.29Å
65L98.7Very high98.3Very high45 Ų4575.5 Ų75.524%0.23637%0.374CS..Hα-helixtrans-63.2-40.7180-64.4175.9000112.1E61 G67 N68 A69 A86 D90 L93E61-L65 WeakPolarHBondContact O-CG 3.3Å; E61-L65 PolarHBondContact O-N 3.28Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-N68 PolarHBondContact O-N 3.04Å; L65-A69 PolarHBondContact O-N 3.16Å; L65-A86 HydrophobicContact CB-CB 3.65Å; L65-D90 HydrophobicContact CD1-CB 3.91Å; L65-L93 HydrophobicContact CD1-CD1 3.72Å
66A98.8Very high98.3Very high0 Ų079.8 Ų79.80%040%0.404CS..Hα-helixtrans-69.8-3117600000112.5V62 E64 A70 I78 H82 L83 A86V62-A66 WeakPolarHBondContact O-CB 3.33Å; V62-A66 PolarHBondContact O-N 3.35Å; E64-A66 PolarHBondContact O-N 2.95Å; A66-A70 WeakPolarHBondContact O-CB 3.35Å; A66-A70 PolarHBondContact O-N 3.46Å; A66-I78 HydrophobicContact CB-CD1 4.14Å; A66-I78 HydrophobicContact CB-CG1 4.47Å; A66-I78 HydrophobicContact CB-CG2 3.97Å; A66-H82 HydrophobicContact CB-CB 4.46Å; A66-L83 HydrophobicContact CB-CD2 3.8Å; A66-A86 HydrophobicContact CB-CB 4Å
67G98.7Very high98.3Very high27 Ų2787.2 Ų87.228%0.27843%0.43SS..Hα-helixtrans-63.7-44.9171.500000111.7L63 E64 L65 A70 R71L63-G67 WeakPolarHBondContact O-CA 3.24Å; L63-G67 PolarHBondContact O-N 2.9Å; E64-G67 WeakPolarHBondContact O-CA 3.27Å; E64-G67 PolarHBondContact O-N 2.93Å; E64-G67 VanDerWaalsContact O-N 3.12Å; L65-G67 VanDerWaalsContact C-N 3.32Å; G67-A70 WeakPolarHBondContact O-CB 3.29Å; G67-A70 PolarHBondContact O-N 3.46Å; G67-R71 PolarHBondContact O-N 3.47Å
68N98.5Very high98.3Very high78 Ų7883.5 Ų83.542%0.41742%0.42SS..Hα-helixtrans-59.9-50.1173.4-67.4-21.8000111.1E64 L65 A70 R71 D72E64-N68 PolarHBondContact O-N 3.29Å; L65-N68 PolarHBondContact O-N 3.04Å; N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.8Å; N68-R71 WeakPolarHBondContact O-CB 3.35Å; N68-R71 PolarHBondContact O-N 3.03Å; N68-R71 VanDerWaalsContact O-N 3.07Å; N68-D72 VanDerWaalsContact O-CG 3.31Å; N68-D72 PolarHBondContact O-N 2.87Å
69A98.4Very high98.3Very high12 Ų1284.7 Ų84.710%0.09943%0.426CS..Hα-helixtrans-60.5-34.117700000113.3L65 N73 H82 L85L65-A69 PolarHBondContact O-N 3.16Å; A69-N73 PolarHBondContact O-N 2.95Å; A69-N73 PolarHBondContact O-ND2 3.45Å; A69-H82 HydrophobicContact CB-CB 4.22Å; A69-L85 HydrophobicContact CB-CB 4.27Å
70A98.7Very high98.3Very high4 Ų484.9 Ų84.93%0.03343%0.428CS..Hα-helixtrans-66.5-44.6174.300000111.8A66 G67 N68 N73 K74 K75 I78 H82A66-A70 WeakPolarHBondContact O-CB 3.35Å; A66-A70 PolarHBondContact O-N 3.46Å; G67-A70 WeakPolarHBondContact O-CB 3.29Å; G67-A70 PolarHBondContact O-N 3.46Å; N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.8Å; A70-N73 CarbonylContact O-C 3.56Å; A70-N73 PolarHBondContact O-N 3.17Å; A70-K74 PolarHBondContact O-N 3.35Å; A70-K75 CarbonylContact C-O 3.51Å; A70-K75 WeakPolarHBondContact O-CA 3.45Å; A70-K75 PolarHBondContact O-N 3.02Å; A70-K75 VanDerWaalsContact O-O 3.07Å; A70-I78 HydrophobicContact CB-CG1 4.26Å; A70-H82 VanDerWaalsContact CA-CE1 3.47Å; A70-H82 WeakPolarHBondContact CA-CE1 3.22Å; A70-H82 WeakPolarHBondContact CA-ND1 3.01Å; A70-H82 HydrophobicContact CB-CB 4.47Å; A70-H82 WeakPolarHBondContact CB-ND1 3.33Å
71R98.4Very high98.3Very high196 Ų19685.5 Ų85.574%0.7442%0.418SS*.Hα-helixtrans-62.4-43.2178-176.4-178.5177.3-176.9-1.8111.7G67 N68 N73 K74G67-R71 PolarHBondContact O-N 3.47Å; N68-R71 WeakPolarHBondContact O-CB 3.35Å; N68-R71 PolarHBondContact O-N 3.03Å; N68-R71 VanDerWaalsContact O-N 3.07Å; R71-N73 VanDerWaalsContact C-N 3.25Å; R71-N73 PolarHBondContact O-N 3.39Å; R71-K74 WeakPolarHBondContact O-CA 3.36Å; R71-K74 PolarHBondContact O-N 3.01Å
72D97.4Very high98.3Very high125 Ų12583 Ų8367%0.66841%0.406SS*.Hα-helixtrans-61.8-36.4177.7-66.2-18.6000111.7N68 K74N68-D72 VanDerWaalsContact O-CG 3.31Å; N68-D72 PolarHBondContact O-N 2.87Å; D72-K74 PolarHBondContact O-N 3.18Å
73N96.9Very high98.3Very high78 Ų7884 Ų8442%0.41741%0.411SS..THydrogen-bonded Turntrans-79.711.1172.8-68.2-29.1000113.7A69 A70 R71 K75 H82A69-N73 PolarHBondContact O-N 2.95Å; A69-N73 PolarHBondContact O-ND2 3.45Å; A70-N73 CarbonylContact O-C 3.56Å; A70-N73 PolarHBondContact O-N 3.17Å; R71-N73 VanDerWaalsContact C-N 3.25Å; R71-N73 PolarHBondContact O-N 3.39Å; N73-K75 HydrophobicContact CB-CG 4.33Å; N73-K75 WeakPolarHBondContact O-CG 3.25Å; N73-K75 PolarHBondContact O-N 3.17Å; N73-H82 PolarHBondContact ND2-CD2 3.46Å; N73-H82 VanDerWaalsContact ND2-CD2 3.26Å; N73-H82 PolarHBondContact ND2-NE2 3.31Å
74K98.1Very high98.3Very high196 Ų19680.7 Ų80.785%0.85239%0.393SS*.THydrogen-bonded Turntrans55.437.2-179-53.9177-177.9177.90112.4A70 R71 D72A70-K74 PolarHBondContact O-N 3.35Å; R71-K74 WeakPolarHBondContact O-CA 3.36Å; R71-K74 PolarHBondContact O-N 3.01Å; D72-K74 PolarHBondContact O-N 3.18Å
75K98.3Very high98.3Very high130 Ų13076.4 Ų76.457%0.56537%0.374SS*.  trans-115.5147.4176.5-58-56.6-179.8-178.30110.3A70 N73A70-K75 CarbonylContact C-O 3.51Å; A70-K75 WeakPolarHBondContact O-CA 3.45Å; A70-K75 PolarHBondContact O-N 3.02Å; A70-K75 VanDerWaalsContact O-O 3.07Å; N73-K75 HydrophobicContact CB-CG 4.33Å; N73-K75 WeakPolarHBondContact O-CG 3.25Å; N73-K75 PolarHBondContact O-N 3.17Å
76T97.3Very high98.3Very high158 Ų15874.7 Ų74.797%0.96937%0.365SS*.SBendtrans-95.6-7.2174.454.70000113.1
77R98.6Very high98.3Very high193 Ų19375.1 Ų75.173%0.72837%0.368SS*.SBendtrans-117.2129.4-177.6-178.7175-66.5153.11.4110.4I79 H82R77-I79 HydrophobicContact CG-CG2 4.4Å; R77-I79 PolarHBondContact O-N 2.69Å; R77-H82 PolarHBondContact O-CE1 2.84Å; R77-H82 PolarHBondContact O-ND1 3.31Å
78I98.7Very high98.2Very high65 Ų6576.2 Ų76.233%0.33336%0.363SS..  trans-68.7127.3168.3-63.3173.6000108.5L63 A66 A70 H82 L83L63-I78 HydrophobicContact CD2-CD1 4.03Å; A66-I78 HydrophobicContact CB-CD1 4.14Å; A66-I78 HydrophobicContact CB-CG1 4.47Å; A66-I78 HydrophobicContact CB-CG2 3.97Å; A70-I78 HydrophobicContact CB-CG1 4.26Å; I78-H82 HydrophobicContact CG2-CB 4.27Å; I78-L83 HydrophobicContact CG2-CD2 4.1Å; I78-L83 HydrophobicContact CG2-CG 4.08Å
79I98.4Very high98.1Very high78 Ų7878 Ų7840%0.437%0.373SS..  trans-122.9167.2174.564.6165.6000108.9R77 R81 H82 L83R77-I79 HydrophobicContact CG-CG2 4.4Å; R77-I79 PolarHBondContact O-N 2.69Å; I79-R81 HydrophobicContact CD1-CB 4Å; I79-R81 HydrophobicContact CG1-CB 4.1Å; I79-R81 PolarHBondContact O-N 3.05Å; I79-H82 PolarHBondContact N-ND1 3.07Å; I79-H82 WeakPolarHBondContact O-CB 3.24Å; I79-H82 PolarHBondContact O-N 2.95Å; I79-L83 PolarHBondContact O-N 2.94Å
80P98.6Very high98.1Very high53 Ų5379.5 Ų79.534%0.34438%0.379SS..Hα-helixtrans-53.1-33.2-178.4-30.437.5000114.8H82 L83 Q84 I102 A103 Q104P80-H82 VanDerWaalsContact C-N 3.32Å; P80-H82 PolarHBondContact O-N 3.47Å; P80-L83 PolarHBondContact O-N 3.34Å; P80-Q84 PolarHBondContact O-N 3.1Å; P80-I102 HydrophobicContact CB-CG2 4.34Å; P80-A103 VanDerWaalsContact CB-O 3.29Å; P80-A103 WeakPolarHBondContact CB-O 3.47Å; P80-Q104 HydrophobicContact CB-CB 4.06Å; P80-Q104 HydrophobicContact CG-CB 4.21Å
81R98.4Very high98.1Very high68 Ų6887.3 Ų87.326%0.25742%0.415SS..Hα-helixtrans-57.8-41.8172.6179.255.6177.8176.2-2.3113I79 Q84 L85 G105 V107I79-R81 HydrophobicContact CD1-CB 4Å; I79-R81 HydrophobicContact CG1-CB 4.1Å; I79-R81 PolarHBondContact O-N 3.05Å; R81-Q84 PolarHBondContact O-N 3.18Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.48Å; R81-G105 WeakPolarHBondContact CD-O 3.48Å; R81-G105 PolarHBondContact NH1-O 3.28Å; R81-G105 VanDerWaalsContact NH1-O 3.08Å; R81-V107 PolarHBondContact NH1-O 3.12Å; R81-V107 PolarHBondContact NH2-O 3.48Å
82H98.7Very high98Very high4 Ų485 Ų852%0.01941%0.413CS..Hα-helixtrans-68.3-37.9179.9-55.3152.3000111.3A66 A69 A70 N73 R77 I78 I79 P80 L85 A86A66-H82 HydrophobicContact CB-CB 4.46Å; A69-H82 HydrophobicContact CB-CB 4.22Å; A70-H82 VanDerWaalsContact CA-CE1 3.47Å; A70-H82 WeakPolarHBondContact CA-CE1 3.22Å; A70-H82 WeakPolarHBondContact CA-ND1 3.01Å; A70-H82 HydrophobicContact CB-CB 4.47Å; A70-H82 WeakPolarHBondContact CB-ND1 3.33Å; N73-H82 PolarHBondContact ND2-CD2 3.46Å; N73-H82 VanDerWaalsContact ND2-CD2 3.26Å; N73-H82 PolarHBondContact ND2-NE2 3.31Å; R77-H82 PolarHBondContact O-CE1 2.84Å; R77-H82 PolarHBondContact O-ND1 3.31Å; I78-H82 HydrophobicContact CG2-CB 4.27Å; I79-H82 PolarHBondContact N-ND1 3.07Å; I79-H82 WeakPolarHBondContact O-CB 3.24Å; I79-H82 PolarHBondContact O-N 2.95Å; P80-H82 VanDerWaalsContact C-N 3.32Å; P80-H82 PolarHBondContact O-N 3.47Å; H82-L85 PolarHBondContact O-N 2.88Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.36Å; H82-A86 PolarHBondContact O-N 2.98Å
83L98.5Very high98.1Very high49 Ų4979.5 Ų79.526%0.25738%0.383SS..Hα-helixtrans-62.7-43.8172.9-65172.4000111.6V62 A66 I78 I79 P80 A86 I87 I102V62-L83 HydrophobicContact CG1-CD2 3.8Å; A66-L83 HydrophobicContact CB-CD2 3.8Å; I78-L83 HydrophobicContact CG2-CD2 4.1Å; I78-L83 HydrophobicContact CG2-CG 4.08Å; I79-L83 PolarHBondContact O-N 2.94Å; P80-L83 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.99Å; L83-I87 HydrophobicContact CB-CD1 4.44Å; L83-I87 VanDerWaalsContact O-CB 3.31Å; L83-I87 WeakPolarHBondContact O-CB 3.44Å; L83-I87 WeakPolarHBondContact O-CD1 3.35Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 3.38Å; L83-I102 HydrophobicContact CB-CG2 4.46Å
84Q98.4Very high98.1Very high17 Ų1777.8 Ų77.88%0.07938%0.377CS..Hα-helixtrans-62-45.8177-178.975.222.100112P80 R81 R88 I102 G105 G106P80-Q84 PolarHBondContact O-N 3.1Å; R81-Q84 PolarHBondContact O-N 3.18Å; Q84-R88 HydrophobicContact CG-CG 4.4Å; Q84-R88 WeakPolarHBondContact O-CB 3.24Å; Q84-R88 WeakPolarHBondContact O-CG 3.48Å; Q84-R88 PolarHBondContact O-N 3.13Å; Q84-I102 HydrophobicContact CB-CD1 4.43Å; Q84-G105 WeakPolarHBondContact CB-O 3.43Å; Q84-G105 WeakPolarHBondContact CG-O 3.39Å; Q84-G106 VanDerWaalsContact CD-O 3.27Å; Q84-G106 WeakPolarHBondContact CG-O 3.43Å; Q84-G106 PolarHBondContact NE2-O 3.39Å
85L98Very high98.1Very high29 Ų2976.4 Ų76.415%0.15237%0.371CS..Hα-helixtrans-63.2-44.2178.3-70.2176.9000111.3A69 R81 H82 N89 L108A69-L85 HydrophobicContact CB-CB 4.27Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.48Å; H82-L85 PolarHBondContact O-N 2.88Å; L85-N89 VanDerWaalsContact O-CB 3.28Å; L85-N89 WeakPolarHBondContact O-CB 3.36Å; L85-N89 PolarHBondContact O-N 3.28Å; L85-N89 PolarHBondContact O-ND2 3.35Å; L85-L108 HydrophobicContact CD2-CD2 3.93Å
86A98.2Very high98.1Very high8 Ų876.5 Ų76.57%0.06637%0.372CS..Hα-helixtrans-61.6-55.5177.400000111.9L65 A66 H82 L83 R88 D90L65-A86 HydrophobicContact CB-CB 3.65Å; A66-A86 HydrophobicContact CB-CB 4Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.36Å; H82-A86 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 2.99Å; A86-R88 PolarHBondContact O-N 3.1Å; A86-D90 PolarHBondContact O-N 3.17Å
87I98.3Very high98.1Very high10 Ų1070.8 Ų70.85%0.05134%0.335CS..Hα-helixtrans-67.3-34.1-172.9-71.3162.8000112.6V62 L83 L93 S94 L97 I102V62-I87 HydrophobicContact CG1-CD1 4.19Å; V62-I87 HydrophobicContact CG1-CG1 4.34Å; L83-I87 HydrophobicContact CB-CD1 4.44Å; L83-I87 VanDerWaalsContact O-CB 3.31Å; L83-I87 WeakPolarHBondContact O-CB 3.44Å; L83-I87 WeakPolarHBondContact O-CD1 3.35Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 3.38Å; I87-L93 HydrophobicContact CG2-CB 4.43Å; I87-S94 VanDerWaalsContact O-CA 3.29Å; I87-S94 WeakPolarHBondContact O-CA 3.33Å; I87-S94 WeakPolarHBondContact O-CB 3.16Å; I87-S94 PolarHBondContact O-N 2.99Å; I87-S94 VanDerWaalsContact O-N 3.11Å; I87-L97 HydrophobicContact CB-CD1 4.46Å; I87-L97 HydrophobicContact CD1-CD1 3.65Å; I87-L97 HydrophobicContact CG1-CD1 3.91Å; I87-L97 HydrophobicContact CG2-CB 4.05Å; I87-L97 HydrophobicContact CG2-CD1 3.68Å; I87-L97 HydrophobicContact CG2-CG 4.43Å; I87-I102 HydrophobicContact CB-CD1 4.34Å; I87-I102 HydrophobicContact CD1-CD1 3.58Å
88R97.9Very high98Very high49 Ų4972 Ų7219%0.18534%0.34CS..Hα-helixtrans-88.6-22.7-176.7-60.1-51.1176.1-149-2.5114.6Q84 A86 L97 V100 L108Q84-R88 HydrophobicContact CG-CG 4.4Å; Q84-R88 WeakPolarHBondContact O-CB 3.24Å; Q84-R88 WeakPolarHBondContact O-CG 3.48Å; Q84-R88 PolarHBondContact O-N 3.13Å; A86-R88 PolarHBondContact O-N 3.1Å; R88-L97 PolarHBondContact NH1-O 3.46Å; R88-V100 PolarHBondContact NH2-O 2.86Å; R88-L108 HydrophobicContact CB-CD1 3.59Å; R88-L108 HydrophobicContact CB-CD2 4.04Å; R88-L108 HydrophobicContact CB-CG 3.66Å; R88-L108 HydrophobicContact CG-CG 4.49Å
89N96.9Very high97.9Very high115 Ų11572.6 Ų72.662%0.61536%0.362SS*.Hα-helixtrans-84.4-19.1174.1-71.9-49000112.4L85L85-N89 VanDerWaalsContact O-CB 3.28Å; L85-N89 WeakPolarHBondContact O-CB 3.36Å; L85-N89 PolarHBondContact O-N 3.28Å; L85-N89 PolarHBondContact O-ND2 3.35Å
90D97.9Very high97.8Very high44 Ų4472.3 Ų72.324%0.23536%0.364CS..SBendtrans-88.8127.7172.2-179.372.5000111.5L65 A86 E92 L93 S94L65-D90 HydrophobicContact CD1-CB 3.91Å; A86-D90 PolarHBondContact O-N 3.17Å; D90-E92 PolarHBondContact OD2-N 3.27Å; D90-L93 HydrophobicContact CB-CB 4.13Å; D90-L93 HydrophobicContact CB-CD1 4.15Å; D90-L93 HydrophobicContact CB-CG 4.35Å; D90-L93 VanDerWaalsContact OD2-CB 3.27Å; D90-L93 WeakPolarHBondContact OD2-CB 3.35Å; D90-L93 VanDerWaalsContact OD2-CG 3.24Å; D90-L93 WeakPolarHBondContact OD2-CG 3.44Å; D90-L93 PolarHBondContact OD2-N 2.94Å; D90-S94 WeakPolarHBondContact O-CB 3.43Å; D90-S94 PolarHBondContact O-N 3.12Å
91E97.7Very high97.7Very high169 Ų16976 Ų7679%0.7939%0.385SS*.Hα-helixtrans-66.2-45-173.9-174.3180169.200112.1S94 K95E91-S94 PolarHBondContact O-N 3.4Å; E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 2.73Å
92E97.9Very high97.7Very high148 Ų14874.2 Ų74.269%0.69238%0.381SS*.Hα-helixtrans-69.2-46.9-175.6-62.4-166.5153.700111.1D90 K95 F96D90-E92 PolarHBondContact OD2-N 3.27Å; E92-K95 PolarHBondContact O-N 3.01Å; E92-F96 VanDerWaalsContact O-CB 3.24Å; E92-F96 WeakPolarHBondContact O-CB 3.4Å; E92-F96 PolarHBondContact O-N 2.79Å
93L98.2Very high97.7Very high8 Ų877.6 Ų77.64%0.04241%0.409CS..Hα-helixtrans-66.4-38.1176.2-68178.3000111.8E61 V62 L65 I87 D90 K95 F96 L97E61-L93 HydrophobicContact CG-CD1 4.31Å; V62-L93 HydrophobicContact CG2-CD1 3.95Å; V62-L93 HydrophobicContact CG2-CD2 3.87Å; L65-L93 HydrophobicContact CD1-CD1 3.72Å; 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 4.35Å; D90-L93 VanDerWaalsContact OD2-CB 3.27Å; D90-L93 WeakPolarHBondContact OD2-CB 3.35Å; D90-L93 VanDerWaalsContact OD2-CG 3.24Å; D90-L93 WeakPolarHBondContact OD2-CG 3.44Å; D90-L93 PolarHBondContact OD2-N 2.94Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.17Å; L93-F96 PolarHBondContact O-N 3.48Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 PolarHBondContact O-N 3.16Å
94S97.8Very high97.6Very high42 Ų4283.6 Ų83.629%0.29444%0.436SS..Hα-helixtrans-63.5-40.6177.1-172.70000111I87 D90 E91 L97 R98I87-S94 VanDerWaalsContact O-CA 3.29Å; I87-S94 WeakPolarHBondContact O-CA 3.33Å; I87-S94 WeakPolarHBondContact O-CB 3.16Å; I87-S94 PolarHBondContact O-N 2.99Å; I87-S94 VanDerWaalsContact O-N 3.11Å; D90-S94 WeakPolarHBondContact O-CB 3.43Å; D90-S94 PolarHBondContact O-N 3.12Å; E91-S94 PolarHBondContact O-N 3.4Å; S94-L97 CarbonylContact O-C 3.58Å; S94-R98 PolarHBondContact O-N 3.03Å
95K98.1Very high97.6Very high167 Ų16782.9 Ų82.973%0.72643%0.433SS*.Hα-helixtrans-68.6-46.5173.7-175.6179.2-179.4179.20112.1E91 E92 L93 L97 R98E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 2.73Å; E92-K95 PolarHBondContact O-N 3.01Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 3.17Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.16Å; K95-R98 VanDerWaalsContact O-CB 3.25Å; K95-R98 WeakPolarHBondContact O-CB 3.38Å; K95-R98 PolarHBondContact O-N 3.4Å
96F97.7Very high97.5Very high132 Ų13283.9 Ų83.958%0.57945%0.45SS*.Hα-helixtrans-62.7-40.3-179.6-179.3-111.5000112L58 E92 L93L58-F96 HydrophobicContact CD1-CE1 4.16Å; L58-F96 HydrophobicContact CD1-CZ 4Å; L58-F96 HydrophobicContact CD2-CE1 4.48Å; E92-F96 VanDerWaalsContact O-CB 3.24Å; E92-F96 WeakPolarHBondContact O-CB 3.4Å; E92-F96 PolarHBondContact O-N 2.79Å; L93-F96 PolarHBondContact O-N 3.48Å
97L97.4Very high97.4Very high38 Ų3888.7 Ų88.720%0.19948%0.479CS..THydrogen-bonded Turntrans-100.631.4179.2-58.3175.8000112.2I87 R88 L93 S94 K95 G99 V100I87-L97 HydrophobicContact CB-CD1 4.46Å; I87-L97 HydrophobicContact CD1-CD1 3.65Å; I87-L97 HydrophobicContact CG1-CD1 3.91Å; I87-L97 HydrophobicContact CG2-CB 4.05Å; I87-L97 HydrophobicContact CG2-CD1 3.68Å; I87-L97 HydrophobicContact CG2-CG 4.43Å; R88-L97 PolarHBondContact NH1-O 3.46Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 PolarHBondContact O-N 3.16Å; S94-L97 CarbonylContact O-C 3.58Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.16Å; L97-G99 PolarHBondContact O-N 3.03Å; L97-V100 HydrophobicContact CB-CB 4.27Å; L97-V100 HydrophobicContact CB-CG2 4.23Å; L97-V100 HydrophobicContact CD2-CG2 4.18Å; L97-V100 PolarHBondContact O-N 3.01Å
98R96.6Very high97.3Very high219 Ų21990.9 Ų90.983%0.82649%0.49SS*.THydrogen-bonded Turntrans-63.6122.3174.6-176.6176.4-179.2-89.60.1109.5S94 K95S94-R98 PolarHBondContact O-N 3.03Å; K95-R98 VanDerWaalsContact O-CB 3.25Å; K95-R98 WeakPolarHBondContact O-CB 3.38Å; K95-R98 PolarHBondContact O-N 3.4Å
99G95.9Very high97.1Very high77 Ų7793.8 Ų93.879%0.79452%0.516SS*.THydrogen-bonded Turntrans87.7-4.1-179.400000115.3L97L97-G99 PolarHBondContact O-N 3.03Å
100V97Very high97Very high73 Ų7394.1 Ų94.144%0.44252%0.517SS..  trans-78.2128.5172.2177.20000109.5R88 L97R88-V100 PolarHBondContact NH2-O 2.86Å; L97-V100 HydrophobicContact CB-CB 4.27Å; L97-V100 HydrophobicContact CB-CG2 4.23Å; L97-V100 HydrophobicContact CD2-CG2 4.18Å; L97-V100 PolarHBondContact O-N 3.01Å
101T97.3Very high96.9Very high129 Ų12997.6 Ų97.679%0.79153%0.534SS*.  trans-93.1125.3173-63.60000110.2
102I97.5Very high96.7Very high31 Ų3194.9 Ų94.916%0.15952%0.522CS..  trans-94.699.8173.4-55.9173.8000107.5P80 L83 Q84 I87 Q104 G105P80-I102 HydrophobicContact CB-CG2 4.34Å; L83-I102 HydrophobicContact CB-CG2 4.46Å; Q84-I102 HydrophobicContact CB-CD1 4.43Å; I87-I102 HydrophobicContact CB-CD1 4.34Å; I87-I102 HydrophobicContact CD1-CD1 3.58Å; I102-Q104 PolarHBondContact O-N 3.26Å; I102-G105 PolarHBondContact O-N 3.35Å
103A98.1Very high96.5Very high75 Ų7591.6 Ų91.662%0.6252%0.52SS*.THydrogen-bonded Turntrans-54.7135.4177.100000110.4P80 G105P80-A103 VanDerWaalsContact CB-O 3.29Å; P80-A103 WeakPolarHBondContact CB-O 3.47Å; A103-G105 PolarHBondContact O-N 2.96Å; A103-G105 VanDerWaalsContact O-N 3.15Å
104Q98Very high96.3Very high176 Ų17696.3 Ų96.382%0.82255%0.554SS**THydrogen-bonded Turntrans62.311.3-176.4-53-62.3-32.400115.2P80 I102P80-Q104 HydrophobicContact CB-CB 4.06Å; P80-Q104 HydrophobicContact CG-CB 4.21Å; I102-Q104 PolarHBondContact O-N 3.26Å
105G97.8Very high96.2Very high1 Ų1100.6 Ų100.61%0.0157%0.573CS.*  trans-79.6-22.5177.700000114.8R81 Q84 I102 A103R81-G105 WeakPolarHBondContact CD-O 3.48Å; R81-G105 PolarHBondContact NH1-O 3.28Å; R81-G105 VanDerWaalsContact NH1-O 3.08Å; Q84-G105 WeakPolarHBondContact CB-O 3.43Å; Q84-G105 WeakPolarHBondContact CG-O 3.39Å; I102-G105 PolarHBondContact O-N 3.35Å; A103-G105 PolarHBondContact O-N 2.96Å; A103-G105 VanDerWaalsContact O-N 3.15Å
106G96.5Very high95.9Very high50 Ų5097.3 Ų97.352%0.51556%0.563SS.*  trans65.4-154.9-168.300000111.7Q84Q84-G106 VanDerWaalsContact CD-O 3.27Å; Q84-G106 WeakPolarHBondContact CG-O 3.43Å; Q84-G106 PolarHBondContact NE2-O 3.39Å
107V96.1Very high95.7Very high109 Ų10996.7 Ų96.766%0.66157%0.572SS**  trans-127.1162179.1-63.20000111R81R81-V107 PolarHBondContact NH1-O 3.12Å; R81-V107 PolarHBondContact NH2-O 3.48Å
108L95.4Very high95.1Very high56 Ų56104.3 Ų104.329%0.29360%0.603SS.*  trans-59132.8167.4-72.4-177.7000108.6L85 R88 N110L85-L108 HydrophobicContact CD2-CD2 3.93Å; R88-L108 HydrophobicContact CB-CD1 3.59Å; R88-L108 HydrophobicContact CB-CD2 4.04Å; R88-L108 HydrophobicContact CB-CG 3.66Å; R88-L108 HydrophobicContact CG-CG 4.49Å; L108-N110 PolarHBondContact O-N 2.89Å; L108-N110 VanDerWaalsContact O-N 3.12Å
109P93.6Very high94.4Very high111 Ų111103.9 Ų103.972%0.72161%0.608SS**  trans-57.4120.3175.2-21.833.9000109.4
110N94.8Very high93.5Very high122 Ų122106.3 Ų106.365%0.65261%0.607SS**  trans-149.9132.1177.9179.946.1000108.5L108 Q112L108-N110 PolarHBondContact O-N 2.89Å; L108-N110 VanDerWaalsContact O-N 3.12Å; N110-Q112 PolarHBondContact ND2-NE2 3.38Å
111I95.4Very high92.3Very high116 Ų116110.1 Ų110.160%0.59563%0.625SS**  trans-114.5120.4176.3-59.9174.5000107.2L115 L116I111-L115 HydrophobicContact CG2-CB 4.16Å; I111-L116 HydrophobicContact CG2-CD2 3.82Å; I111-L116 HydrophobicContact CG2-CG 4.25Å
112Q94.1Very high90.9Very high112 Ų112110.2 Ų110.252%0.52363%0.625SS.*  trans-65136.8174-65.3-63.3-27.200109.6N110 S114 L115N110-Q112 PolarHBondContact ND2-NE2 3.38Å; Q112-S114 PolarHBondContact O-N 3.01Å; Q112-L115 HydrophobicContact CB-CD1 4.26Å; Q112-L115 HydrophobicContact CB-CG 4.26Å; Q112-L115 WeakPolarHBondContact O-CB 3.18Å; Q112-L115 PolarHBondContact O-N 3.22Å
113A93.4Very high89.2Confident80 Ų80117.7 Ų117.766%0.66166%0.656SS**G310 helixtrans-57.4-28.5-176.300000113.3L115 L116A113-L115 PolarHBondContact O-N 2.99Å; A113-L116 WeakPolarHBondContact O-CB 3.39Å; A113-L116 PolarHBondContact O-N 3.28Å
114S94.3Very high87.3Confident107 Ų107120.3 Ų120.375%0.74867%0.665SS**G310 helixtrans-65.6-22.4174.955.40000114.3Q112Q112-S114 PolarHBondContact O-N 3.01Å
115L94.6Very high85.7Confident131 Ų131117.8 Ų117.869%0.68666%0.662SS**G310 helixtrans-87.8-9.4177.5-59.1177.2000112.4I111 Q112 A113I111-L115 HydrophobicContact CG2-CB 4.16Å; Q112-L115 HydrophobicContact CB-CD1 4.26Å; Q112-L115 HydrophobicContact CB-CG 4.26Å; Q112-L115 WeakPolarHBondContact O-CB 3.18Å; Q112-L115 PolarHBondContact O-N 3.22Å; A113-L115 PolarHBondContact O-N 2.99Å
116L93.5Very high84Confident98 Ų98123.4 Ų123.451%0.51370%0.698SS.*SBendtrans-75143.4174.5-62.9175.2000109.8I111 A113 K118I111-L116 HydrophobicContact CG2-CD2 3.82Å; I111-L116 HydrophobicContact CG2-CG 4.25Å; A113-L116 WeakPolarHBondContact O-CB 3.39Å; A113-L116 PolarHBondContact O-N 3.28Å; L116-K118 PolarHBondContact O-N 2.91Å
117P92Very high82.3Confident119 Ų119130.4 Ų130.477%0.77371%0.714SS**PPolyproline II helixtrans-58.5134.7176.323-31.8000110.2K119P117-K119 PolarHBondContact O-N 3.02Å
118K86Confident80.9Confident199 Ų199135 Ų13587%0.86573%0.725SS**PPolyproline II helixtrans-60.5128.5171.5-66.6-175.3-179.4-179.20107.8L116 T120L116-K118 PolarHBondContact O-N 2.91Å; K118-T120 PolarHBondContact O-N 2.96Å
119K81.8Confident79.6Confident210 Ų210143.5 Ų143.591%0.91377%0.771SS**  trans-54.4115171.1-71.8-176.9177.5-177.70107.6P117P117-K119 PolarHBondContact O-N 3.02Å
120T75.5Confident78.9Confident127 Ų127145.1 Ų145.178%0.77977%0.773SS**  trans-77.9125.9164.714.30000105.9K118 V122K118-T120 PolarHBondContact O-N 2.96Å; T120-V122 PolarHBondContact O-N 3.01Å
121D73Confident78Confident153 Ų153146.3 Ų146.382%0.81878%0.78SS**  trans-56.6112.2167.3-77.7-40.1000107K123D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 3.25Å
122V67Low77.1Confident131 Ų131148 Ų14879%0.79479%0.79SS**  trans-59.8103.5168.9176.90000104.3T120 T124T120-V122 PolarHBondContact O-N 3.01Å; V122-T124 VanDerWaalsContact C-N 3.32Å; V122-T124 PolarHBondContact O-N 3.17Å
123K62.1Low76.1Confident188 Ų188150.1 Ų150.182%0.81781%0.806SS**  trans-54.4104.9171.3-76.3-175.3177.5-179.30105.9D121 T125D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 3.25Å; K123-T125 VanDerWaalsContact C-N 3.28Å; K123-T125 PolarHBondContact O-N 3.05Å
124T59.5Low75Confident131 Ų131154.5 Ų154.580%0.80482%0.815SS**  trans-57.298.7166.734.70000106.2V122 P126V122-T124 VanDerWaalsContact C-N 3.32Å; V122-T124 PolarHBondContact O-N 3.17Å; T124-P126 WeakPolarHBondContact O-CD 3.47Å
125T63Low73.7Confident123 Ų123157.7 Ų157.776%0.75582%0.819SS**PPolyproline II helixtrans-58.9122.3166.339.80000106.6K123 K127K123-T125 VanDerWaalsContact C-N 3.28Å; K123-T125 PolarHBondContact O-N 3.05Å; T125-K127 PolarHBondContact O-N 3.19Å
126P61.6Low72.2Confident119 Ų119159.6 Ų159.677%0.77383%0.829SS**PPolyproline II helixtrans-60.2128.81785.5-1.4000107.9T124 K128T124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-K128 PolarHBondContact O-N 3.47Å; P126-K128 VanDerWaalsContact O-N 3.12Å
127K62.8Low70.6Confident197 Ų197164.3 Ų164.386%0.85785%0.853SS**PPolyproline II helixtrans-55.1119.4166.6-82.9179.4171.9179.10106.4T125T125-K127 PolarHBondContact O-N 3.19Å
128K65.4Low68.8Low205 Ų205168.1 Ų168.189%0.89186%0.86SS**PPolyproline II helixtrans-71.9124.8163.1-86.9-177.4170.5-177.10106.7P126P126-K128 PolarHBondContact O-N 3.47Å; P126-K128 VanDerWaalsContact O-N 3.12Å
129D67.8Low67.2Low234 Ų234165.3 Ų165.3100%1.25186%0.859SS**  trans-56.50169.2-56.3-53000111.7

Retrieved 129 of 129 residues in 607.7 ms (Link to these results)