H2A3_RAT Loading...

Histone H2A type 3

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 Q4FZT6, Species RAT (Rattus norvegicus, Rat), Gene H2ac25, Length 130 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M58.7Low61.2Low249 Ų249144.6 Ų144.6100%1.22786%0.858SS**  0118.40-82-178.4166.700109.4
2S60.2Low62.6Low107 Ų107152.7 Ų152.775%0.74886%0.862SS**  trans-158.974.6161.9167.60000108.1R4S2-R4 PolarHBondContact O-N 2.86Å
3G61.2Low64Low89 Ų89147.8 Ų147.892%0.91885%0.853SS**  trans-74.299.816200000108
4R61.4Low65.5Low236 Ų236151.6 Ų151.689%0.89186%0.855SS**  trans-113.692.6177.8-159154.2-180154.2-2.8110.1S2S2-R4 PolarHBondContact O-N 2.86Å
5G57.6Low67.1Low62 Ų62147.9 Ų147.964%0.63985%0.851SS**  trans60.992.7143.600000117.2Q7G5-Q7 PolarHBondContact O-N 3.1Å
6K58.5Low68.7Low217 Ų217148.2 Ų148.294%0.94384%0.839SS**  trans-64.880.1154.6-162178.1-171.4179.20107.3G8K6-G8 PolarHBondContact O-N 2.9Å; K6-G8 VanDerWaalsContact O-N 3.14Å
7Q56.7Low70.3Confident182 Ų182143.3 Ų143.385%0.8582%0.816SS**  trans-50123.1174.1-87.1179.7-11.700107.6G5 G9G5-Q7 PolarHBondContact O-N 3.1Å; Q7-G9 PolarHBondContact O-N 2.85Å
8G55.4Low71.8Confident73 Ų73140.5 Ų140.575%0.75379%0.79SS**  trans-40.9109.9-177.500000110.1K6 K10K6-G8 PolarHBondContact O-N 2.9Å; K6-G8 VanDerWaalsContact O-N 3.14Å; G8-K10 PolarHBondContact O-N 3.07Å
9G61.5Low73.2Confident74 Ų74133.9 Ų133.976%0.76375%0.754SS**  trans-64100-174.700000108.1Q7 A11Q7-G9 PolarHBondContact O-N 2.85Å; G9-A11 PolarHBondContact O-N 2.72Å; G9-A11 VanDerWaalsContact O-N 3.08Å
10K68.1Low74.4Confident201 Ų201130.6 Ų130.687%0.87474%0.74SS**  trans-45.3123.2164-72.2-178.6178.8178.30106.1G8 R12G8-K10 PolarHBondContact O-N 3.07Å; K10-R12 PolarHBondContact O-N 2.94Å
11A74.3Confident75.4Confident101 Ų101133 Ų13384%0.83574%0.737SS**  trans-47.6109.8-17800000108.1G9 A13G9-A11 PolarHBondContact O-N 2.72Å; G9-A11 VanDerWaalsContact O-N 3.08Å; A11-A13 PolarHBondContact O-N 2.94Å
12R77Confident77.3Confident241 Ų241123.1 Ų123.191%0.90970%0.696SS**PPolyproline II helixtrans-59.1120.4-173.7-173.5177.3-178.9178.71.6106.7K10 K14K10-R12 PolarHBondContact O-N 2.94Å; R12-K14 PolarHBondContact O-N 3.29Å
13A82Confident79.1Confident90 Ų90121 Ų12174%0.74469%0.691SS**PPolyproline II helixtrans-50.7131177.900000109A11 A15A11-A13 PolarHBondContact O-N 2.94Å; A13-A15 PolarHBondContact O-N 3.29Å
14K84.7Confident80.8Confident201 Ų201118 Ų11887%0.87465%0.654SS**PPolyproline II helixtrans-53.8129.8-179.1-74.2-176.6-179.81770108.9R12 K16R12-K14 PolarHBondContact O-N 3.29Å; K14-K16 PolarHBondContact O-N 3.13Å; K14-K16 VanDerWaalsContact O-N 3.1Å
15A89.5Confident82.6Confident96 Ų96114.8 Ų114.879%0.79365%0.649SS**PPolyproline II helixtrans-60.6117.9178.600000109.6A13 S17A13-A15 PolarHBondContact O-N 3.29Å; A15-S17 PolarHBondContact O-N 3.35Å
16K92.9Very high84.5Confident152 Ų152114.7 Ų114.766%0.66163%0.631SS**PPolyproline II helixtrans-61.2129.9173.2-67.9-172.8-179.8-176.40109.6K14 R21K14-K16 PolarHBondContact O-N 3.13Å; K14-K16 VanDerWaalsContact O-N 3.1Å; K16-R21 HydrophobicContact CB-CG 4.05Å; K16-R21 PolarHBondContact O-NE 3.28Å
17S95.9Very high86.4Confident65 Ų65106.5 Ų106.546%0.45560%0.6SS.*PPolyproline II helixtrans-66.3155.1177.875.80000110.7A15 S19 S20 R21A15-S17 PolarHBondContact O-N 3.35Å; S17-S19 PolarHBondContact O-N 2.88Å; S17-S20 PolarHBondContact N-OG 3.09Å; S17-S20 PolarHBondContact O-N 2.87Å; S17-S20 PolarHBondContact O-OG 3Å; S17-S20 WeakPolarHBondContact OG-CB 3.41Å; S17-S20 PolarHBondContact OG-N 3.32Å; S17-S20 PolarHBondContact OG-OG 3.49Å; S17-S20 VanDerWaalsContact OG-OG 3.14Å; S17-R21 WeakPolarHBondContact O-CG 3.36Å; S17-R21 PolarHBondContact O-N 2.87Å
18R96.4Very high88.4Confident93 Ų9397.8 Ų97.835%0.35156%0.559SS.*Hα-helixtrans-58.6-37.3174.7-74-169.6-77.6161-3.2112.4R21 A22 V28 H32R18-R21 PolarHBondContact O-N 3.32Å; R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.3Å; R18-V28 HydrophobicContact CB-CB 4.11Å; R18-V28 HydrophobicContact CB-CG1 3.86Å; R18-H32 PolarHBondContact NH1-ND1 3.24Å; R18-H32 PolarHBondContact NH2-ND1 3.36Å; R18-H32 VanDerWaalsContact NH2-ND1 3.14Å
19S98Very high90.4Very high15 Ų1596 Ų9611%0.10554%0.541CS..Hα-helixtrans-60.2-50.7173.8-630000111.8S17 R21 A22 G23 L24 F26 P27 V28S17-S19 PolarHBondContact O-N 2.88Å; S19-R21 VanDerWaalsContact C-N 3.25Å; S19-R21 PolarHBondContact O-N 3.27Å; S19-A22 CarbonylContact O-C 3.6Å; S19-A22 PolarHBondContact O-N 3.26Å; S19-G23 PolarHBondContact O-N 3.27Å; S19-L24 CarbonylContact C-O 3.54Å; S19-L24 WeakPolarHBondContact CB-O 3.38Å; S19-L24 PolarHBondContact O-N 3.23Å; S19-F26 WeakPolarHBondContact CB-O 3.24Å; S19-F26 PolarHBondContact OG-O 3.15Å; S19-P27 WeakPolarHBondContact OG-CA 3.47Å; S19-V28 PolarHBondContact OG-N 2.94Å
20S97Very high92.2Very high68 Ų6899.5 Ų99.548%0.47653%0.531SS..Hα-helixtrans-62.9-30.3178.766.60000113.5S17S17-S20 PolarHBondContact N-OG 3.09Å; S17-S20 PolarHBondContact O-N 2.87Å; S17-S20 PolarHBondContact O-OG 3Å; S17-S20 WeakPolarHBondContact OG-CB 3.41Å; S17-S20 PolarHBondContact OG-N 3.32Å; S17-S20 PolarHBondContact OG-OG 3.49Å; S17-S20 VanDerWaalsContact OG-OG 3.14Å
21R96.7Very high93.6Very high180 Ų18090.8 Ų90.868%0.67950%0.495SS*.Hα-helixtrans-74.3-31.1174.2-67.9177.7-169.9-173-1.1112.6K16 S17 R18 S19K16-R21 HydrophobicContact CB-CG 4.05Å; K16-R21 PolarHBondContact O-NE 3.28Å; S17-R21 WeakPolarHBondContact O-CG 3.36Å; S17-R21 PolarHBondContact O-N 2.87Å; R18-R21 PolarHBondContact O-N 3.32Å; S19-R21 VanDerWaalsContact C-N 3.25Å; S19-R21 PolarHBondContact O-N 3.27Å
22A97.5Very high94.8Very high43 Ų4387.6 Ų87.636%0.35546%0.462SS..Hα-helixtrans-86.8-6.5178.400000113.3R18 S19 L24 V50R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.3Å; S19-A22 CarbonylContact O-C 3.6Å; S19-A22 PolarHBondContact O-N 3.26Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.96Å; A22-L24 HydrophobicContact CB-CG 4.02Å; A22-V50 HydrophobicContact CB-CG1 3.87Å
23G97.9Very high95.8Very high63 Ų6384.2 Ų84.265%0.64945%0.45SS*.THydrogen-bonded Turntrans72.821.6-175.500000114.1S19S19-G23 PolarHBondContact O-N 3.27Å
24L98.4Very high96.5Very high25 Ų2584.3 Ų84.313%0.13144%0.437CS..  trans-105.3138.8-175.6-63.1175.2000111.2S19 A22 V28 V50 A53 A54 E57S19-L24 CarbonylContact C-O 3.54Å; S19-L24 WeakPolarHBondContact CB-O 3.38Å; S19-L24 PolarHBondContact O-N 3.23Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.96Å; A22-L24 HydrophobicContact CB-CG 4.02Å; L24-V28 HydrophobicContact CD1-CG2 3.79Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; L24-A53 HydrophobicContact CD1-CB 3.96Å; L24-A54 HydrophobicContact CD1-CB 4.04Å; L24-A54 HydrophobicContact CD2-CB 3.86Å; L24-E57 WeakPolarHBondContact CA-OE2 3.38Å; L24-E57 WeakPolarHBondContact CB-OE2 3.3Å
25Q98.4Very high97.2Very high168 Ų16876.2 Ų76.279%0.78540%0.404SS*.SBendtrans-73.8-32.2165.4-62.4-56.6-38.800111.3E57Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3.16Å; Q25-E57 VanDerWaalsContact N-OE1 3.12Å; Q25-E57 PolarHBondContact N-OE2 3.29Å
26F98.4Very high97.5Very high60 Ų6078 Ų7826%0.26339%0.39SS..SBendtrans-71.8144.6-176.4-8433.9000111.4S19 V28 A53 L56 E57 T60S19-F26 WeakPolarHBondContact CB-O 3.24Å; S19-F26 PolarHBondContact OG-O 3.15Å; F26-V28 PolarHBondContact O-N 3.36Å; F26-A53 HydrophobicContact CB-CB 4.33Å; F26-L56 HydrophobicContact CD2-CB 3.81Å; F26-L56 HydrophobicContact CE2-CB 3.85Å; F26-L56 WeakPolarHBondContact CE2-O 3.47Å; F26-E57 HydrophobicContact CB-CB 4.11Å; F26-E57 WeakPolarHBondContact CB-OE2 3.06Å; F26-E57 HydrophobicContact CD1-CB 3.85Å; F26-E57 HydrophobicContact CD1-CG 3.83Å; F26-E57 HydrophobicContact CD2-CB 3.95Å; F26-E57 HydrophobicContact CE1-CB 4.28Å; F26-E57 HydrophobicContact CE1-CG 4.2Å; F26-E57 HydrophobicContact CE2-CB 4.36Å; F26-E57 HydrophobicContact CG-CB 3.69Å; F26-E57 HydrophobicContact CG-CG 4.18Å; F26-E57 PolarHBondContact N-OE2 3.01Å; F26-T60 HydrophobicContact CZ-CG2 3.87Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.41Å
27P98.4Very high97.7Very high45 Ų4578.9 Ų78.929%0.29239%0.393SS..  trans-81.785.6-168.432.9-37.4000112.7S19 G29 R30 V31S19-P27 WeakPolarHBondContact OG-CA 3.47Å; P27-G29 PolarHBondContact O-N 2.85Å; P27-G29 VanDerWaalsContact O-N 3.09Å; P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.92Å; P27-R30 WeakPolarHBondContact O-CA 3.21Å; P27-R30 WeakPolarHBondContact O-CB 3.31Å; P27-R30 PolarHBondContact O-N 3.29Å; P27-V31 PolarHBondContact O-N 3.06Å
28V98.6Very high97.8Very high0 Ų077.3 Ų77.30%039%0.388CS..Hα-helixtrans-48.4-40174.5176.10000112.1R18 S19 L24 F26 R30 V31 H32 P49 V50 A53R18-V28 HydrophobicContact CB-CB 4.11Å; R18-V28 HydrophobicContact CB-CG1 3.86Å; S19-V28 PolarHBondContact OG-N 2.94Å; L24-V28 HydrophobicContact CD1-CG2 3.79Å; F26-V28 PolarHBondContact O-N 3.36Å; V28-R30 VanDerWaalsContact C-N 3.35Å; V28-R30 PolarHBondContact O-N 3.15Å; V28-V31 PolarHBondContact O-N 3.14Å; V28-H32 PolarHBondContact O-N 3.06Å; V28-P49 HydrophobicContact CG1-CB 4.23Å; V28-P49 HydrophobicContact CG1-CG 4.44Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; V28-A53 HydrophobicContact CG2-CB 3.88Å
29G98Very high97.7Very high36 Ų3679.4 Ų79.437%0.37141%0.406SS..Hα-helixtrans-59.5-43.5177.300000113.4P27 R33P27-G29 PolarHBondContact O-N 2.85Å; P27-G29 VanDerWaalsContact O-N 3.09Å; G29-R33 PolarHBondContact O-N 3.4Å
30R98.4Very high97.5Very high147 Ų14787.3 Ų87.356%0.55544%0.435SS*.Hα-helixtrans-71.1-43.6179.4-173.4-176.3-63.1155.51.1110.8P27 V28 H32 R33 L34P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.92Å; P27-R30 WeakPolarHBondContact O-CA 3.21Å; P27-R30 WeakPolarHBondContact O-CB 3.31Å; P27-R30 PolarHBondContact O-N 3.29Å; V28-R30 VanDerWaalsContact C-N 3.35Å; V28-R30 PolarHBondContact O-N 3.15Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 2.72Å; R30-R33 PolarHBondContact O-N 3.13Å; R30-L34 HydrophobicContact CG-CD1 4.21Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.34Å
31V98.3Very high97.4Very high18 Ų1887.2 Ų87.211%0.10943%0.434CS..Hα-helixtrans-57.9-45.9176.3177.90000110.5P27 V28 R33 L34 L35 P49 L52 A53P27-V31 PolarHBondContact O-N 3.06Å; V28-V31 PolarHBondContact O-N 3.14Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.26Å; V31-L34 PolarHBondContact O-N 2.92Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.3Å; V31-P49 HydrophobicContact CB-CB 4.27Å; V31-P49 HydrophobicContact CG1-CB 4.05Å; V31-L52 HydrophobicContact CG1-CB 4.1Å; V31-L52 HydrophobicContact CG1-CD2 3.78Å; V31-L52 HydrophobicContact CG1-CG 4.05Å; V31-A53 HydrophobicContact CG2-CB 4.15Å
32H98.2Very high97.4Very high33 Ų3388 Ų8815%0.15345%0.445CS..Hα-helixtrans-58.3-44.5176.3-173.3-149.6000112.9R18 V28 R30 L34 L35 R36 P49R18-H32 PolarHBondContact NH1-ND1 3.24Å; R18-H32 PolarHBondContact NH2-ND1 3.36Å; R18-H32 VanDerWaalsContact NH2-ND1 3.14Å; V28-H32 PolarHBondContact O-N 3.06Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 2.72Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L35 PolarHBondContact O-N 3.05Å; H32-R36 PolarHBondContact CE1-NE 2.82Å; H32-R36 PolarHBondContact NE2-NE 3.41Å; H32-R36 PolarHBondContact NE2-NH2 3.29Å; H32-R36 PolarHBondContact O-N 3.41Å; H32-R36 VanDerWaalsContact O-N 3.15Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.73Å
33R97.9Very high97.4Very high170 Ų17096.4 Ų96.464%0.64247%0.468SS*.Hα-helixtrans-62.9-42.4178.3-175.3-177.866.7177.72.9111.3G29 R30 V31 R36 K37G29-R33 PolarHBondContact O-N 3.4Å; R30-R33 PolarHBondContact O-N 3.13Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.26Å; R33-R36 PolarHBondContact O-N 2.92Å; R33-K37 PolarHBondContact O-N 2.8Å
34L98.2Very high97.3Very high93 Ų9394.3 Ų94.349%0.48744%0.443SS..Hα-helixtrans-68.5-40.8179-68.8175.5000112.2R30 V31 H32 R36 K37 G38R30-L34 HydrophobicContact CG-CD1 4.21Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.34Å; V31-L34 PolarHBondContact O-N 2.92Å; H32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.8Å; L34-K37 PolarHBondContact O-N 3.49Å; L34-G38 PolarHBondContact O-N 3.18Å
35L97.7Very high97.3Very high31 Ų3195.4 Ų95.416%0.16246%0.46CS..Hα-helixtrans-58.3-41.8174.3-74.3172.7000112V31 H32 G38 Y40 V44 A48 P49 L52V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.3Å; H32-L35 PolarHBondContact O-N 3.05Å; L35-G38 PolarHBondContact O-N 2.96Å; L35-Y40 HydrophobicContact CD2-CD2 4.08Å; L35-Y40 HydrophobicContact CD2-CE2 4.26Å; L35-Y40 WeakPolarHBondContact O-CD2 3.33Å; L35-V44 HydrophobicContact CB-CG1 4.12Å; L35-V44 HydrophobicContact CB-CG2 4.29Å; L35-V44 HydrophobicContact CD1-CG1 4.09Å; L35-A48 HydrophobicContact CD1-CB 4.5Å; L35-P49 HydrophobicContact CD1-CB 4.13Å; L35-L52 HydrophobicContact CD1-CD2 4.29Å; L35-L52 HydrophobicContact CD2-CD2 3.88Å; L35-L52 HydrophobicContact CG-CD2 4.3Å
36R96.5Very high97.1Very high133 Ų13391.3 Ų91.350%0.50245%0.454SS..Hα-helixtrans-67.3-42.2174.7-72.7-175.2176.9-95.7-4.7112.5H32 R33 L34 G38 N39 V44H32-R36 PolarHBondContact CE1-NE 2.82Å; H32-R36 PolarHBondContact NE2-NE 3.41Å; H32-R36 PolarHBondContact NE2-NH2 3.29Å; H32-R36 PolarHBondContact O-N 3.41Å; H32-R36 VanDerWaalsContact O-N 3.15Å; R33-R36 PolarHBondContact O-N 2.92Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.8Å; R36-G38 VanDerWaalsContact C-N 3.26Å; R36-G38 PolarHBondContact O-N 2.89Å; R36-N39 PolarHBondContact O-N 2.97Å; R36-N39 PolarHBondContact O-OD1 3.28Å; R36-V44 HydrophobicContact CG-CB 4.38Å; R36-V44 HydrophobicContact CG-CG2 4.1Å
37K97.3Very high97.1Very high170 Ų17090.8 Ų90.874%0.73947%0.466SS*.Hα-helixtrans-64.4-31.8177.9-175.7177.4177-177.20112.3R33 L34 N39R33-K37 PolarHBondContact O-N 2.8Å; L34-K37 PolarHBondContact O-N 3.49Å; K37-N39 PolarHBondContact O-N 3.35Å
38G97Very high97.1Very high33 Ų3390.8 Ų90.834%0.3447%0.47SS..THydrogen-bonded Turntrans-73.3-7.3178.700000114.8L34 L35 R36 Y40L34-G38 PolarHBondContact O-N 3.18Å; L35-G38 PolarHBondContact O-N 2.96Å; R36-G38 VanDerWaalsContact C-N 3.26Å; R36-G38 PolarHBondContact O-N 2.89Å; G38-Y40 PolarHBondContact O-N 2.93Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
39N94.8Very high97.1Very high137 Ų13790.8 Ų90.873%0.73347%0.47SS*.THydrogen-bonded Turntrans50.333.9179.8-62.4-27.3000113.9R36 K37 S41R36-N39 PolarHBondContact O-N 2.97Å; R36-N39 PolarHBondContact O-OD1 3.28Å; K37-N39 PolarHBondContact O-N 3.35Å; N39-S41 PolarHBondContact O-N 3.42Å
40Y94.5Very high97.1Very high181 Ų18191.4 Ų91.471%0.7147%0.467SS*.SBendtrans-68.3-21.5-179-58.4-69.3000113.6L35 G38L35-Y40 HydrophobicContact CD2-CD2 4.08Å; L35-Y40 HydrophobicContact CD2-CE2 4.26Å; L35-Y40 WeakPolarHBondContact O-CD2 3.33Å; G38-Y40 PolarHBondContact O-N 2.93Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
41S95.3Very high97.1Very high65 Ų6592.7 Ų92.746%0.45547%0.473SS..  trans-159.4158.7175.964.80000110N39 R43N39-S41 PolarHBondContact O-N 3.42Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-R43 PolarHBondContact OG-O 3.42Å
42E95.5Very high97.1Very high197 Ų19794.9 Ų94.992%0.92148%0.483SS*.SBendtrans-61.2-34.5173.9-63.2-178.2173.500112.2
43R97.1Very high97.2Very high219 Ų21993.3 Ų93.383%0.82648%0.476SS*.  trans-130.4128.3-178.4-60.2-179.473.7175.23110.5S41S41-R43 PolarHBondContact O-N 2.99Å; S41-R43 PolarHBondContact OG-O 3.42Å
44V96.8Very high97.2Very high20 Ų2086.9 Ų86.912%0.12146%0.459CS..  trans-104.2114.4171.7-179.30000108.7L35 R36 A48L35-V44 HydrophobicContact CB-CG1 4.12Å; L35-V44 HydrophobicContact CB-CG2 4.29Å; L35-V44 HydrophobicContact CD1-CG1 4.09Å; R36-V44 HydrophobicContact CG-CB 4.38Å; R36-V44 HydrophobicContact CG-CG2 4.1Å; V44-A48 HydrophobicContact CG1-CB 4.12Å
45G97.3Very high97.2Very high48 Ų4884.9 Ų84.950%0.49545%0.451SS..  trans-63.9151.3177.300000112.5G47 A48 P49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.03Å; G45-A48 WeakPolarHBondContact O-CB 3.44Å; G45-A48 PolarHBondContact O-N 3.36Å; G45-P49 WeakPolarHBondContact O-CD 3.1Å
46A95.5Very high97.3Very high81 Ų8186.9 Ų86.967%0.66946%0.462SS*.THydrogen-bonded Turntrans-63.9-29.4-17500000113.9P49A46-P49 WeakPolarHBondContact O-CD 3.45Å; A46-P49 WeakPolarHBondContact O-CG 3.43Å
47G97.7Very high97.4Very high49 Ų4982.3 Ų82.351%0.50545%0.446SS..THydrogen-bonded Turntrans-77.5-27.5177.200000114.2G45 V50 Y51G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.03Å; G47-V50 WeakPolarHBondContact O-CB 3.34Å; G47-V50 PolarHBondContact O-N 3.48Å; G47-Y51 PolarHBondContact O-N 3.22Å
48A98.3Very high97.4Very high46 Ų4681 Ų8138%0.3844%0.437SS..Hα-helixtrans-53.6-49.3-179.300000114L35 V44 G45 V50 Y51 L52L35-A48 HydrophobicContact CD1-CB 4.5Å; V44-A48 HydrophobicContact CG1-CB 4.12Å; G45-A48 WeakPolarHBondContact O-CB 3.44Å; G45-A48 PolarHBondContact O-N 3.36Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.46Å; A48-Y51 PolarHBondContact O-N 2.95Å; A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 PolarHBondContact O-N 3.37Å
49P98.5Very high97.5Very high0 Ų081.9 Ų81.90%043%0.434CS..Hα-helixtrans-70.1-22.1176.528.4-37.3000114.3V28 V31 H32 L35 G45 A46 A53V28-P49 HydrophobicContact CG1-CB 4.23Å; V28-P49 HydrophobicContact CG1-CG 4.44Å; V31-P49 HydrophobicContact CB-CB 4.27Å; V31-P49 HydrophobicContact CG1-CB 4.05Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.73Å; L35-P49 HydrophobicContact CD1-CB 4.13Å; G45-P49 WeakPolarHBondContact O-CD 3.1Å; A46-P49 WeakPolarHBondContact O-CD 3.45Å; A46-P49 WeakPolarHBondContact O-CG 3.43Å; P49-A53 WeakPolarHBondContact O-CB 3.27Å; P49-A53 PolarHBondContact O-N 3.45Å
50V98.6Very high97.7Very high49 Ų4977.9 Ų77.930%0.29741%0.414SS..Hα-helixtrans-73.2-50.8174.8179.50000109A22 L24 V28 G47 A48 A53 A54A22-V50 HydrophobicContact CB-CG1 3.87Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; G47-V50 WeakPolarHBondContact O-CB 3.34Å; G47-V50 PolarHBondContact O-N 3.48Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.46Å; V50-A53 PolarHBondContact O-N 2.84Å; V50-A54 WeakPolarHBondContact O-CB 3.31Å; V50-A54 PolarHBondContact O-N 3.34Å
51Y98.7Very high97.9Very high173 Ų17371.8 Ų71.868%0.67840%0.402SS*.Hα-helixtrans-58.2-50.9178.1-179.1-98.3000111.6G47 A48 A53 A54 V55G47-Y51 PolarHBondContact O-N 3.22Å; A48-Y51 PolarHBondContact O-N 2.95Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 2.95Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.22Å; Y51-V55 HydrophobicContact CD1-CG2 4.33Å; Y51-V55 HydrophobicContact CE1-CG2 3.92Å; Y51-V55 HydrophobicContact CE2-CG2 4.31Å; Y51-V55 WeakPolarHBondContact O-CG2 3.3Å; Y51-V55 PolarHBondContact O-N 3.4Å
52L98.6Very high98Very high64 Ų6471.4 Ų71.434%0.33539%0.393SS..Hα-helixtrans-63.4-39.6179.6-179.259.2000112.2V31 L35 A48 A54 V55 L56V31-L52 HydrophobicContact CG1-CB 4.1Å; V31-L52 HydrophobicContact CG1-CD2 3.78Å; V31-L52 HydrophobicContact CG1-CG 4.05Å; L35-L52 HydrophobicContact CD1-CD2 4.29Å; L35-L52 HydrophobicContact CD2-CD2 3.88Å; L35-L52 HydrophobicContact CG-CD2 4.3Å; A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 PolarHBondContact O-N 3.37Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-V55 PolarHBondContact O-N 3.13Å; L52-L56 HydrophobicContact CD1-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.11Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.19Å; L52-L56 PolarHBondContact O-N 2.88Å
53A98.8Very high98.2Very high0 Ų063.6 Ų63.60%036%0.357CS..Hα-helixtrans-62.8-41.6175.200000111.9L24 F26 V28 V31 P49 V50 Y51 L56 E57L24-A53 HydrophobicContact CD1-CB 3.96Å; F26-A53 HydrophobicContact CB-CB 4.33Å; V28-A53 HydrophobicContact CG2-CB 3.88Å; V31-A53 HydrophobicContact CG2-CB 4.15Å; P49-A53 WeakPolarHBondContact O-CB 3.27Å; P49-A53 PolarHBondContact O-N 3.45Å; V50-A53 PolarHBondContact O-N 2.84Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.13Å; A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.28Å
54A98.8Very high98.2Very high35 Ų3557.4 Ų57.429%0.28934%0.34SS..Hα-helixtrans-63.2-45.4177.900000112.1L24 V50 Y51 L52 L56 E57 Y58L24-A54 HydrophobicContact CD1-CB 4.04Å; L24-A54 HydrophobicContact CD2-CB 3.86Å; V50-A54 WeakPolarHBondContact O-CB 3.31Å; V50-A54 PolarHBondContact O-N 3.34Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.22Å; L52-A54 VanDerWaalsContact C-N 3.34Å; A54-L56 PolarHBondContact O-N 3.28Å; A54-E57 PolarHBondContact O-N 2.72Å; A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.47Å
55V98.7Very high98.3Very high51 Ų5162.2 Ų62.231%0.30936%0.361SS..Hα-helixtrans-62.4-44.2177.51730000111.2Y51 L52 E57 Y58 L59Y51-V55 HydrophobicContact CD1-CG2 4.33Å; Y51-V55 HydrophobicContact CE1-CG2 3.92Å; Y51-V55 HydrophobicContact CE2-CG2 4.31Å; Y51-V55 WeakPolarHBondContact O-CG2 3.3Å; Y51-V55 PolarHBondContact O-N 3.4Å; L52-V55 PolarHBondContact O-N 3.13Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.08Å; V55-Y58 PolarHBondContact O-N 2.71Å; V55-L59 HydrophobicContact CG1-CD1 4.02Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 3.5Å
56L98.7Very high98.4Very high74 Ų7462 Ų6239%0.38735%0.348SS..Hα-helixtrans-64.1-39.7177.1-69.3173.3000112F26 L52 A53 A54 T60F26-L56 HydrophobicContact CD2-CB 3.81Å; F26-L56 HydrophobicContact CE2-CB 3.85Å; F26-L56 WeakPolarHBondContact CE2-O 3.47Å; L52-L56 HydrophobicContact CD1-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.11Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.19Å; L52-L56 PolarHBondContact O-N 2.88Å; A53-L56 PolarHBondContact O-N 3.13Å; A54-L56 PolarHBondContact O-N 3.28Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.46Å; L56-T60 PolarHBondContact O-N 3.19Å; L56-T60 PolarHBondContact O-OG1 3.31Å
57E98.7Very high98.5Very high37 Ų3758.2 Ų58.217%0.17332%0.317CS..Hα-helixtrans-64.8-47.9176.9-175.5166150.800111.3L24 Q25 F26 A53 A54 V55 T60 A61L24-E57 WeakPolarHBondContact CA-OE2 3.38Å; L24-E57 WeakPolarHBondContact CB-OE2 3.3Å; Q25-E57 VanDerWaalsContact N-CD 3.35Å; Q25-E57 PolarHBondContact N-OE1 3.16Å; Q25-E57 VanDerWaalsContact N-OE1 3.12Å; Q25-E57 PolarHBondContact N-OE2 3.29Å; F26-E57 HydrophobicContact CB-CB 4.11Å; F26-E57 WeakPolarHBondContact CB-OE2 3.06Å; F26-E57 HydrophobicContact CD1-CB 3.85Å; F26-E57 HydrophobicContact CD1-CG 3.83Å; F26-E57 HydrophobicContact CD2-CB 3.95Å; F26-E57 HydrophobicContact CE1-CB 4.28Å; F26-E57 HydrophobicContact CE1-CG 4.2Å; F26-E57 HydrophobicContact CE2-CB 4.36Å; F26-E57 HydrophobicContact CG-CB 3.69Å; F26-E57 HydrophobicContact CG-CG 4.18Å; F26-E57 PolarHBondContact N-OE2 3.01Å; A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.28Å; A54-E57 PolarHBondContact O-N 2.72Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.08Å; E57-T60 PolarHBondContact O-N 3.2Å; E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 3.27Å
58Y98.3Very high98.6Very high141 Ų14157.1 Ų57.155%0.55331%0.305SS*.Hα-helixtrans-55.8-54.6176.5170.9-100.7000111.9A54 V55 T60 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.47Å; V55-Y58 PolarHBondContact O-N 2.71Å; Y58-T60 VanDerWaalsContact C-N 3.28Å; Y58-T60 PolarHBondContact O-N 2.83Å; Y58-A61 PolarHBondContact O-N 3.03Å; Y58-E62 PolarHBondContact O-N 3.18Å
59L98.4Very high98.6Very high53 Ų5357.3 Ų57.328%0.27730%0.3SS..Hα-helixtrans-61.2-38179.8-69.2172.9000112.2V55 I63 L97V55-L59 HydrophobicContact CG1-CD1 4.02Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 3.5Å; L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 2.94Å; L59-L97 HydrophobicContact CD1-CD2 4.39Å; L59-L97 HydrophobicContact CD2-CD2 3.79Å
60T98.6Very high98.6Very high52 Ų5258 Ų5832%0.31931%0.305SS..Hα-helixtrans-69-42.7178.1-56.90000111.2F26 L56 E57 Y58 I63 L64F26-T60 HydrophobicContact CZ-CG2 3.87Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.41Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.46Å; L56-T60 PolarHBondContact O-N 3.19Å; L56-T60 PolarHBondContact O-OG1 3.31Å; E57-T60 PolarHBondContact O-N 3.2Å; Y58-T60 VanDerWaalsContact C-N 3.28Å; Y58-T60 PolarHBondContact O-N 2.83Å; T60-I63 PolarHBondContact O-N 2.82Å; T60-L64 HydrophobicContact CG2-CD1 3.68Å; T60-L64 HydrophobicContact CG2-CG 4.1Å; T60-L64 VanDerWaalsContact O-CB 3.31Å; T60-L64 WeakPolarHBondContact O-CB 3.44Å; T60-L64 WeakPolarHBondContact O-CG 3.27Å; T60-L64 PolarHBondContact O-N 3.45Å
61A98.4Very high98.6Very high54 Ų5455.8 Ų55.845%0.44629%0.293SS..Hα-helixtrans-59.8-48.1178.300000111E57 Y58 I63 L64 E65E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 3.27Å; Y58-A61 PolarHBondContact O-N 3.03Å; A61-I63 PolarHBondContact O-N 2.77Å; A61-L64 PolarHBondContact O-N 3.35Å; A61-E65 WeakPolarHBondContact O-CB 3.25Å; A61-E65 PolarHBondContact O-N 3.47Å
62E98.3Very high98.6Very high56 Ų5655.1 Ų55.126%0.26229%0.289SS..Hα-helixtrans-58.6-50179-169.260.7-143.700112Y58 L64 E65 L66 L94Y58-E62 PolarHBondContact O-N 3.18Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.84Å; E62-E65 PolarHBondContact O-N 3.3Å; E62-L66 HydrophobicContact CG-CD1 4.47Å; E62-L66 WeakPolarHBondContact O-CG 3.27Å; E62-L66 PolarHBondContact O-N 2.97Å; E62-L66 VanDerWaalsContact O-N 3.13Å; E62-L94 HydrophobicContact CG-CD1 4.27Å
63I98.6Very high98.5Very high34 Ų3457.6 Ų57.617%0.17430%0.302CS..Hα-helixtrans-61.5-41.7178.5-67.9167.5000111L59 T60 A61 A67 L84 I88 L94 L98L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 2.94Å; T60-I63 PolarHBondContact O-N 2.82Å; A61-I63 PolarHBondContact O-N 2.77Å; I63-A67 WeakPolarHBondContact O-CB 3.03Å; I63-A67 PolarHBondContact O-N 2.88Å; I63-L84 HydrophobicContact CG2-CD2 3.77Å; I63-I88 HydrophobicContact CG1-CG1 4.5Å; I63-I88 HydrophobicContact CG2-CD1 4.25Å; I63-I88 HydrophobicContact CG2-CG1 4.38Å; I63-L94 HydrophobicContact CD1-CD2 4.24Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; I63-L94 HydrophobicContact CG1-CG 4.49Å; I63-L98 HydrophobicContact CD1-CD1 4.24Å
64L98.6Very high98.4Very high88 Ų8861.2 Ų61.246%0.46132%0.322SS..Hα-helixtrans-71.9-34.2-178.8-72.2179.4000112.8T60 A61 E62 G68 I79T60-L64 HydrophobicContact CG2-CD1 3.68Å; T60-L64 HydrophobicContact CG2-CG 4.1Å; T60-L64 VanDerWaalsContact O-CB 3.31Å; T60-L64 WeakPolarHBondContact O-CB 3.44Å; T60-L64 WeakPolarHBondContact O-CG 3.27Å; T60-L64 PolarHBondContact O-N 3.45Å; A61-L64 PolarHBondContact O-N 3.35Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.84Å; L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.82Å; L64-I79 HydrophobicContact CD2-CD1 4.08Å
65E98.5Very high98.4Very high121 Ų12168.8 Ų68.857%0.56535%0.348SS*.Hα-helixtrans-62.9-54.5175175.5163.1-164.900110.6A61 E62 A67 G68 N69A61-E65 WeakPolarHBondContact O-CB 3.25Å; A61-E65 PolarHBondContact O-N 3.47Å; E62-E65 PolarHBondContact O-N 3.3Å; E65-A67 PolarHBondContact O-N 3.12Å; E65-G68 PolarHBondContact O-N 2.7Å; E65-N69 PolarHBondContact O-N 2.77Å; E65-N69 PolarHBondContact O-ND2 2.91Å
66L98.7Very high98.4Very high45 Ų4572.4 Ų72.424%0.23636%0.36CS..Hα-helixtrans-63.5-41.7179.3-64.6175.8000112E62 G68 N69 A70 A87 D91 L94E62-L66 HydrophobicContact CG-CD1 4.47Å; E62-L66 WeakPolarHBondContact O-CG 3.27Å; E62-L66 PolarHBondContact O-N 2.97Å; E62-L66 VanDerWaalsContact O-N 3.13Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 2.98Å; L66-N69 PolarHBondContact O-N 2.87Å; L66-A70 PolarHBondContact O-N 3.29Å; L66-A87 HydrophobicContact CB-CB 3.65Å; L66-D91 HydrophobicContact CD1-CB 3.94Å; L66-L94 HydrophobicContact CD1-CD1 3.76Å
67A98.8Very high98.3Very high0 Ų076.4 Ų76.40%039%0.388CS..Hα-helixtrans-69.4-31.5176.500000112.5I63 E65 A71 I79 H83 L84 A87I63-A67 WeakPolarHBondContact O-CB 3.03Å; I63-A67 PolarHBondContact O-N 2.88Å; E65-A67 PolarHBondContact O-N 3.12Å; A67-A71 WeakPolarHBondContact O-CB 3.04Å; A67-A71 PolarHBondContact O-N 3.49Å; A67-I79 HydrophobicContact CB-CD1 4.18Å; A67-I79 HydrophobicContact CB-CG2 3.99Å; A67-H83 HydrophobicContact CB-CB 4.44Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; A67-A87 HydrophobicContact CB-CB 4.01Å
68G98.7Very high98.3Very high26 Ų2683.7 Ų83.727%0.26841%0.413SS..Hα-helixtrans-64.3-44.5171.800000111.8L64 E65 L66 A71 R72L64-G68 WeakPolarHBondContact O-CA 3.31Å; L64-G68 PolarHBondContact O-N 2.82Å; E65-G68 PolarHBondContact O-N 2.7Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 2.98Å; G68-A71 PolarHBondContact O-N 2.98Å; G68-R72 PolarHBondContact O-N 3.44Å
69N98.5Very high98.3Very high51 Ų5180 Ų8027%0.27340%0.403SS..Hα-helixtrans-59.1-50.4172.8-70.1-28.6000110.9E65 L66 A71 R72 D73E65-N69 PolarHBondContact O-N 2.77Å; E65-N69 PolarHBondContact O-ND2 2.91Å; L66-N69 PolarHBondContact O-N 2.87Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.46Å; N69-R72 WeakPolarHBondContact O-CB 3.38Å; N69-R72 PolarHBondContact O-N 3.02Å; N69-R72 VanDerWaalsContact O-N 3.09Å; N69-R72 PolarHBondContact OD1-NH1 3.02Å; N69-R72 PolarHBondContact OD1-NH2 3.44Å; N69-D73 VanDerWaalsContact O-CG 3.25Å; N69-D73 PolarHBondContact O-N 2.91Å
70A98.3Very high98.3Very high13 Ų1381.2 Ų81.211%0.10741%0.408CS..Hα-helixtrans-60.7-34.4177.400000113.3L66 N74 H83 L86L66-A70 PolarHBondContact O-N 3.29Å; A70-N74 PolarHBondContact O-N 3.45Å; A70-N74 PolarHBondContact O-ND2 3.2Å; A70-N74 VanDerWaalsContact O-ND2 3.15Å; A70-H83 HydrophobicContact CB-CB 4.24Å; A70-L86 HydrophobicContact CB-CB 4.33Å
71A98.7Very high98.3Very high4 Ų481.2 Ų81.23%0.03341%0.41CS..Hα-helixtrans-66-45.2174.500000111.7A67 G68 N69 N74 K75 K76 I79 H83A67-A71 WeakPolarHBondContact O-CB 3.04Å; A67-A71 PolarHBondContact O-N 3.49Å; G68-A71 PolarHBondContact O-N 2.98Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.46Å; A71-N74 CarbonylContact O-C 3.51Å; A71-N74 PolarHBondContact O-N 3.09Å; A71-K75 PolarHBondContact O-N 3.18Å; A71-K76 CarbonylContact C-O 3.33Å; A71-K76 PolarHBondContact O-N 3.17Å; A71-K76 VanDerWaalsContact O-O 3.08Å; A71-I79 HydrophobicContact CB-CG1 4.25Å; A71-H83 VanDerWaalsContact CA-CE1 3.47Å; A71-H83 WeakPolarHBondContact CA-CE1 3.41Å; A71-H83 WeakPolarHBondContact CA-ND1 3.35Å; A71-H83 HydrophobicContact CB-CB 4.49Å; A71-H83 WeakPolarHBondContact CB-ND1 3.35Å
72R98.4Very high98.3Very high159 Ų15982 Ų8260%0.640%0.401SS*.Hα-helixtrans-62.1-43.1178-175.4177.964.5-137.6-7.4111.6G68 N69 N74 K75G68-R72 PolarHBondContact O-N 3.44Å; N69-R72 WeakPolarHBondContact O-CB 3.38Å; N69-R72 PolarHBondContact O-N 3.02Å; N69-R72 VanDerWaalsContact O-N 3.09Å; N69-R72 PolarHBondContact OD1-NH1 3.02Å; N69-R72 PolarHBondContact OD1-NH2 3.44Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.05Å; R72-K75 WeakPolarHBondContact O-CA 3.46Å; R72-K75 PolarHBondContact O-N 3.43Å
73D97.4Very high98.3Very high115 Ų11579.5 Ų79.562%0.61539%0.389SS*.Hα-helixtrans-63.1-35.4178.4-63.5-15.8000111.6N69 K75N69-D73 VanDerWaalsContact O-CG 3.25Å; N69-D73 PolarHBondContact O-N 2.91Å; D73-K75 PolarHBondContact O-N 2.88Å
74N96.8Very high98.3Very high76 Ų7680.2 Ų80.241%0.40639%0.393SS..THydrogen-bonded Turntrans-79.611171.9-68.6-32.7000113.9A70 A71 R72 K76 H83A70-N74 PolarHBondContact O-N 3.45Å; A70-N74 PolarHBondContact O-ND2 3.2Å; A70-N74 VanDerWaalsContact O-ND2 3.15Å; A71-N74 CarbonylContact O-C 3.51Å; A71-N74 PolarHBondContact O-N 3.09Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.05Å; N74-K76 HydrophobicContact CB-CG 4.34Å; N74-K76 WeakPolarHBondContact O-CG 3.4Å; N74-K76 PolarHBondContact O-N 2.95Å; N74-H83 PolarHBondContact ND2-CD2 3.33Å; N74-H83 VanDerWaalsContact ND2-CD2 3.29Å; N74-H83 PolarHBondContact ND2-NE2 3.21Å
75K98.1Very high98.3Very high194 Ų19476.8 Ų76.884%0.84338%0.375SS*.THydrogen-bonded Turntrans55.937.6-179.1-53.5176.3-178.1178.10112.5A71 R72 D73A71-K75 PolarHBondContact O-N 3.18Å; R72-K75 WeakPolarHBondContact O-CA 3.46Å; R72-K75 PolarHBondContact O-N 3.43Å; D73-K75 PolarHBondContact O-N 2.88Å
76K98.3Very high98.3Very high128 Ų12872.4 Ų72.456%0.55736%0.355SS*.  trans-116.7146176.7-58.1-57.7-179.9-1780110.5A71 N74A71-K76 CarbonylContact C-O 3.33Å; A71-K76 PolarHBondContact O-N 3.17Å; A71-K76 VanDerWaalsContact O-O 3.08Å; N74-K76 HydrophobicContact CB-CG 4.34Å; N74-K76 WeakPolarHBondContact O-CG 3.4Å; N74-K76 PolarHBondContact O-N 2.95Å
77T97.2Very high98.3Very high158 Ų15870.7 Ų70.797%0.96935%0.347SS*.SBendtrans-94.7-7.9173.654.80000113.1
78R98.7Very high98.2Very high190 Ų19071.1 Ų71.172%0.71735%0.35SS*.SBendtrans-115.3129.1-178.1-177.2176.1-65.1141.21.8110.4I80 H83R78-I80 HydrophobicContact CG-CG2 4.4Å; R78-I80 PolarHBondContact O-N 3.38Å; R78-H83 PolarHBondContact O-CE1 3.08Å; R78-H83 VanDerWaalsContact O-CE1 3.32Å; R78-H83 PolarHBondContact O-ND1 3.36Å
79I98.7Very high98.2Very high64 Ų6471.8 Ų71.833%0.32834%0.344SS..  trans-69.4127168.2-62.8174.3000108.5L64 A67 A71 H83 L84L64-I79 HydrophobicContact CD2-CD1 4.08Å; A67-I79 HydrophobicContact CB-CD1 4.18Å; A67-I79 HydrophobicContact CB-CG2 3.99Å; A71-I79 HydrophobicContact CB-CG1 4.25Å; I79-H83 HydrophobicContact CG2-CB 4.25Å; I79-L84 HydrophobicContact CG2-CD2 4.13Å; I79-L84 HydrophobicContact CG2-CG 4.1Å
80I98.3Very high98.1Very high77 Ų7774.9 Ų74.940%0.39536%0.36SS..  trans-122.1166.9174.565.8168.8000109R78 R82 H83 L84R78-I80 HydrophobicContact CG-CG2 4.4Å; R78-I80 PolarHBondContact O-N 3.38Å; I80-R82 HydrophobicContact CD1-CB 4.03Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 2.83Å; I80-H83 PolarHBondContact N-ND1 3.05Å; I80-H83 WeakPolarHBondContact O-CB 3.32Å; I80-H83 PolarHBondContact O-N 3.06Å; I80-L84 PolarHBondContact O-N 3.23Å
81P98.6Very high98.1Very high53 Ų5376.3 Ų76.334%0.34437%0.366SS..Hα-helixtrans-53.2-32.8-178.4-30.337.6000114.8H83 L84 Q85 I103 A104 Q105P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 2.76Å; P81-L84 PolarHBondContact O-N 3.25Å; P81-Q85 PolarHBondContact O-N 3.25Å; P81-I103 HydrophobicContact CB-CG2 4.44Å; P81-A104 VanDerWaalsContact CB-O 3.31Å; P81-A104 WeakPolarHBondContact CB-O 3.46Å; P81-Q105 HydrophobicContact CB-CB 4.05Å; P81-Q105 HydrophobicContact CG-CB 4.18Å
82R98.4Very high98.1Very high70 Ų7084.2 Ų84.226%0.26440%0.402SS..Hα-helixtrans-57.8-41.3172.5178.955.6177.8177-2.5113I80 Q85 L86 G106 V108I80-R82 HydrophobicContact CD1-CB 4.03Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 2.83Å; R82-Q85 PolarHBondContact O-N 3.36Å; R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.4Å; R82-L86 PolarHBondContact O-N 3.24Å; R82-G106 WeakPolarHBondContact CD-O 3.36Å; R82-G106 PolarHBondContact NH1-O 3.1Å; R82-G106 VanDerWaalsContact NH1-O 3.15Å; R82-V108 PolarHBondContact NH1-O 3.38Å; R82-V108 PolarHBondContact NH2-O 3.14Å
83H98.6Very high98.1Very high3 Ų383.5 Ų83.51%0.01441%0.406CS..Hα-helixtrans-69-37.8-179.9-55152.7000111.2A67 A70 A71 N74 R78 I79 I80 P81 L86 A87A67-H83 HydrophobicContact CB-CB 4.44Å; A70-H83 HydrophobicContact CB-CB 4.24Å; A71-H83 VanDerWaalsContact CA-CE1 3.47Å; A71-H83 WeakPolarHBondContact CA-CE1 3.41Å; A71-H83 WeakPolarHBondContact CA-ND1 3.35Å; A71-H83 HydrophobicContact CB-CB 4.49Å; A71-H83 WeakPolarHBondContact CB-ND1 3.35Å; N74-H83 PolarHBondContact ND2-CD2 3.33Å; N74-H83 VanDerWaalsContact ND2-CD2 3.29Å; N74-H83 PolarHBondContact ND2-NE2 3.21Å; R78-H83 PolarHBondContact O-CE1 3.08Å; R78-H83 VanDerWaalsContact O-CE1 3.32Å; R78-H83 PolarHBondContact O-ND1 3.36Å; I79-H83 HydrophobicContact CG2-CB 4.25Å; I80-H83 PolarHBondContact N-ND1 3.05Å; I80-H83 WeakPolarHBondContact O-CB 3.32Å; I80-H83 PolarHBondContact O-N 3.06Å; P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 2.76Å; H83-L86 PolarHBondContact O-N 3.06Å; H83-A87 VanDerWaalsContact O-CB 3.3Å; H83-A87 WeakPolarHBondContact O-CB 3.37Å; H83-A87 PolarHBondContact O-N 3.03Å
84L98.4Very high98.1Very high50 Ų5078.3 Ų78.326%0.26238%0.378SS..Hα-helixtrans-62.8-43.5172.7-64.9172.9000111.5I63 A67 I79 I80 P81 A87 I88 I103I63-L84 HydrophobicContact CG2-CD2 3.77Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; I79-L84 HydrophobicContact CG2-CD2 4.13Å; I79-L84 HydrophobicContact CG2-CG 4.1Å; I80-L84 PolarHBondContact O-N 3.23Å; P81-L84 PolarHBondContact O-N 3.25Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-I88 HydrophobicContact CB-CD1 4.45Å; L84-I88 VanDerWaalsContact O-CB 3.31Å; L84-I88 WeakPolarHBondContact O-CB 3.49Å; L84-I88 WeakPolarHBondContact O-CG1 3.23Å; L84-I88 PolarHBondContact O-N 3.02Å; L84-I103 HydrophobicContact CB-CG2 4.49Å
85Q98.4Very high98.1Very high15 Ų1577.7 Ų77.77%0.0738%0.375CS..Hα-helixtrans-61.4-46.9176.6-178.576.319.700111.8P81 R82 R89 I103 G106 G107P81-Q85 PolarHBondContact O-N 3.25Å; R82-Q85 PolarHBondContact O-N 3.36Å; Q85-R89 HydrophobicContact CG-CG 4.27Å; Q85-R89 WeakPolarHBondContact O-CB 3.47Å; Q85-R89 VanDerWaalsContact O-CG 3.27Å; Q85-R89 WeakPolarHBondContact O-CG 3.33Å; Q85-R89 PolarHBondContact O-N 3.05Å; Q85-I103 HydrophobicContact CB-CD1 4.5Å; Q85-G106 WeakPolarHBondContact CB-O 3.43Å; Q85-G106 WeakPolarHBondContact CG-O 3.41Å; Q85-G107 WeakPolarHBondContact CG-O 3.4Å; Q85-G107 PolarHBondContact NE2-O 3.14Å
86L98Very high98.1Very high30 Ų3077 Ų7716%0.15737%0.372CS..Hα-helixtrans-62.9-43.3178.7-70.3176.9000111.5A70 R82 H83 N90 L109A70-L86 HydrophobicContact CB-CB 4.33Å; R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.4Å; R82-L86 PolarHBondContact O-N 3.24Å; H83-L86 PolarHBondContact O-N 3.06Å; L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 2.97Å; L86-N90 PolarHBondContact O-ND2 3.49Å; L86-L109 HydrophobicContact CD2-CD2 3.87Å
87A98.2Very high98.1Very high8 Ų875.9 Ų75.97%0.06637%0.372CS..Hα-helixtrans-62.3-55.5177.200000111.8L66 A67 H83 L84 R89 D91L66-A87 HydrophobicContact CB-CB 3.65Å; A67-A87 HydrophobicContact CB-CB 4.01Å; H83-A87 VanDerWaalsContact O-CB 3.3Å; H83-A87 WeakPolarHBondContact O-CB 3.37Å; H83-A87 PolarHBondContact O-N 3.03Å; L84-A87 PolarHBondContact O-N 3.02Å; A87-R89 PolarHBondContact O-N 3.3Å; A87-D91 PolarHBondContact O-N 3.17Å
88I98.3Very high98.1Very high10 Ų1070.3 Ų70.35%0.05134%0.335CS..Hα-helixtrans-67.4-35.8-173-70.5163.2000112.3I63 L84 L94 N95 L98 I103I63-I88 HydrophobicContact CG1-CG1 4.5Å; I63-I88 HydrophobicContact CG2-CD1 4.25Å; I63-I88 HydrophobicContact CG2-CG1 4.38Å; L84-I88 HydrophobicContact CB-CD1 4.45Å; L84-I88 VanDerWaalsContact O-CB 3.31Å; L84-I88 WeakPolarHBondContact O-CB 3.49Å; L84-I88 WeakPolarHBondContact O-CG1 3.23Å; L84-I88 PolarHBondContact O-N 3.02Å; I88-L94 HydrophobicContact CG2-CB 4.43Å; I88-N95 VanDerWaalsContact O-CA 3.31Å; I88-N95 WeakPolarHBondContact O-CA 3.41Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.42Å; I88-N95 PolarHBondContact O-N 2.99Å; I88-N95 VanDerWaalsContact O-N 3.13Å; I88-L98 HydrophobicContact CD1-CD1 3.72Å; I88-L98 HydrophobicContact CG1-CD1 4Å; I88-L98 HydrophobicContact CG2-CB 3.92Å; I88-L98 HydrophobicContact CG2-CD1 3.77Å; I88-L98 HydrophobicContact CG2-CG 4.42Å; I88-I103 HydrophobicContact CB-CD1 4.28Å; I88-I103 HydrophobicContact CD1-CD1 3.59Å; I88-I103 HydrophobicContact CG2-CD1 4.44Å
89R98.1Very high98Very high40 Ų4063.6 Ų63.615%0.15133%0.325CS..Hα-helixtrans-84.9-24-176.6-60.3-52.9173.7-148.4-4.2114.5Q85 A87 N95 L98 V101 L109Q85-R89 HydrophobicContact CG-CG 4.27Å; Q85-R89 WeakPolarHBondContact O-CB 3.47Å; Q85-R89 VanDerWaalsContact O-CG 3.27Å; Q85-R89 WeakPolarHBondContact O-CG 3.33Å; Q85-R89 PolarHBondContact O-N 3.05Å; A87-R89 PolarHBondContact O-N 3.3Å; R89-N95 WeakPolarHBondContact CD-OD1 3.43Å; R89-N95 PolarHBondContact NH1-OD1 2.93Å; R89-L98 PolarHBondContact NH1-O 3.49Å; R89-V101 PolarHBondContact NH2-O 3.46Å; R89-L109 HydrophobicContact CB-CD1 3.6Å; R89-L109 HydrophobicContact CB-CD2 3.93Å; R89-L109 HydrophobicContact CB-CG 3.61Å; R89-L109 HydrophobicContact CG-CG 4.38Å
90N97Very high97.8Very high115 Ų11572.5 Ų72.562%0.61536%0.355SS*.Hα-helixtrans-85-20.5175.6-72.3-49000112.5L86L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 2.97Å; L86-N90 PolarHBondContact O-ND2 3.49Å
91D97.9Very high97.8Very high44 Ų4472.3 Ų72.324%0.23536%0.357CS..SBendtrans-86.5128172.6-178.6-95.8000111.4L66 A87 E93 L94 N95L66-D91 HydrophobicContact CD1-CB 3.94Å; A87-D91 PolarHBondContact O-N 3.17Å; D91-E93 PolarHBondContact OD1-N 3.26Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.27Å; D91-L94 WeakPolarHBondContact OD1-CB 3.16Å; D91-L94 VanDerWaalsContact OD1-CG 3.25Å; D91-L94 WeakPolarHBondContact OD1-CG 3.43Å; D91-L94 PolarHBondContact OD1-N 2.98Å; D91-N95 WeakPolarHBondContact O-CB 3.46Å; D91-N95 PolarHBondContact O-N 3.14Å
92E97.8Very high97.7Very high169 Ų16976.2 Ų76.279%0.7938%0.38SS*.Hα-helixtrans-65.5-45.9-173.8-174.8-178.7166.600112.3K96E92-K96 WeakPolarHBondContact O-CB 3.49Å; E92-K96 PolarHBondContact O-N 3.4Å
93E98Very high97.6Very high145 Ų14574.3 Ų74.368%0.67838%0.375SS*.Hα-helixtrans-71.4-46-174.4-61.8-166.6151.200111.2D91 K96 L97D91-E93 PolarHBondContact OD1-N 3.26Å; E93-K96 PolarHBondContact O-N 2.98Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.15Å
94L98.3Very high97.6Very high6 Ų677.7 Ų77.73%0.03140%0.404CS..Hα-helixtrans-65.8-39175.7-67.8177.2000111.3E62 I63 L66 I88 D91 K96 L97 L98E62-L94 HydrophobicContact CG-CD1 4.27Å; I63-L94 HydrophobicContact CD1-CD2 4.24Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; I63-L94 HydrophobicContact CG1-CG 4.49Å; L66-L94 HydrophobicContact CD1-CD1 3.76Å; I88-L94 HydrophobicContact CG2-CB 4.43Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.27Å; D91-L94 WeakPolarHBondContact OD1-CB 3.16Å; D91-L94 VanDerWaalsContact OD1-CG 3.25Å; D91-L94 WeakPolarHBondContact OD1-CG 3.43Å; D91-L94 PolarHBondContact OD1-N 2.98Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 PolarHBondContact O-N 2.88Å
95N97.8Very high97.6Very high62 Ų6283.7 Ų83.733%0.33243%0.43SS..Hα-helixtrans-64.9-38.6176.3-172.345.1000111.2I88 R89 D91 L98 G99I88-N95 VanDerWaalsContact O-CA 3.31Å; I88-N95 WeakPolarHBondContact O-CA 3.41Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.42Å; I88-N95 PolarHBondContact O-N 2.99Å; I88-N95 VanDerWaalsContact O-N 3.13Å; R89-N95 WeakPolarHBondContact CD-OD1 3.43Å; R89-N95 PolarHBondContact NH1-OD1 2.93Å; D91-N95 WeakPolarHBondContact O-CB 3.46Å; D91-N95 PolarHBondContact O-N 3.14Å; N95-L98 CarbonylContact O-C 3.5Å; N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.18Å
96K98Very high97.6Very high180 Ų18083 Ų8378%0.78343%0.428SS*.Hα-helixtrans-65.8-47173.7-177177179.9178.50111.5E92 E93 L94 L98E92-K96 WeakPolarHBondContact O-CB 3.49Å; E92-K96 PolarHBondContact O-N 3.4Å; E93-K96 PolarHBondContact O-N 2.98Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.36Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.4Å
97L97.9Very high97.5Very high105 Ų10584.1 Ų84.155%0.5545%0.446SS..Hα-helixtrans-61.5-40.8178.9-179.662.9000112L59 E93 L94L59-L97 HydrophobicContact CD1-CD2 4.39Å; L59-L97 HydrophobicContact CD2-CD2 3.79Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.15Å; L94-L97 PolarHBondContact O-N 3.47Å
98L97.5Very high97.4Very high40 Ų4089 Ų8921%0.20947%0.474CS..THydrogen-bonded Turntrans-109.122.9-174.1-57.7177.1000112.8I63 I88 R89 L94 N95 K96 R100 V101I63-L98 HydrophobicContact CD1-CD1 4.24Å; I88-L98 HydrophobicContact CD1-CD1 3.72Å; I88-L98 HydrophobicContact CG1-CD1 4Å; I88-L98 HydrophobicContact CG2-CB 3.92Å; I88-L98 HydrophobicContact CG2-CD1 3.77Å; I88-L98 HydrophobicContact CG2-CG 4.42Å; R89-L98 PolarHBondContact NH1-O 3.49Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 PolarHBondContact O-N 2.88Å; N95-L98 CarbonylContact O-C 3.5Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.4Å; L98-R100 PolarHBondContact O-N 3.48Å; L98-R100 VanDerWaalsContact O-N 3.16Å; L98-V101 HydrophobicContact CB-CB 4.32Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; L98-V101 HydrophobicContact CD2-CG2 4.07Å; L98-V101 PolarHBondContact O-N 3.01Å; L98-V101 VanDerWaalsContact O-N 3.08Å
99G95.1Very high97.2Very high49 Ų4991 Ų9151%0.50549%0.485SS..THydrogen-bonded Turntrans-63.3-25.1-171.600000114.5N95N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.18Å
100R95.9Very high97Very high251 Ų25194.2 Ų94.295%0.94751%0.511SS*.THydrogen-bonded Turntrans-104.78.4178.4-61.1-178.4-177.3172.50.6113.8L98L98-R100 PolarHBondContact O-N 3.48Å; L98-R100 VanDerWaalsContact O-N 3.16Å
101V96.9Very high96.9Very high74 Ų7494.4 Ų94.445%0.44851%0.512SS..  trans-96.7124.7-178.6177.90000109.4R89 L98R89-V101 PolarHBondContact NH2-O 3.46Å; L98-V101 HydrophobicContact CB-CB 4.32Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; L98-V101 HydrophobicContact CD2-CG2 4.07Å; L98-V101 PolarHBondContact O-N 3.01Å; L98-V101 VanDerWaalsContact O-N 3.08Å
102T97.1Very high96.8Very high134 Ų13497.9 Ų97.982%0.82253%0.529SS*.  trans-84.2123.4172.5-60.50000110.2A104T102-A104 PolarHBondContact O-N 3.19Å
103I97.5Very high96.6Very high30 Ų3095.3 Ų95.315%0.15452%0.517CS..  trans-93.299.7172.7-54.9174.7000107.7P81 L84 Q85 I88 Q105 G106P81-I103 HydrophobicContact CB-CG2 4.44Å; L84-I103 HydrophobicContact CB-CG2 4.49Å; Q85-I103 HydrophobicContact CB-CD1 4.5Å; I88-I103 HydrophobicContact CB-CD1 4.28Å; I88-I103 HydrophobicContact CD1-CD1 3.59Å; I88-I103 HydrophobicContact CG2-CD1 4.44Å; I103-Q105 PolarHBondContact O-N 3.27Å; I103-G106 PolarHBondContact O-N 3.11Å
104A98Very high96.4Very high75 Ų7592.1 Ų92.162%0.6252%0.516SS*.THydrogen-bonded Turntrans-55.4136.2177.500000110.6P81 T102 G106P81-A104 VanDerWaalsContact CB-O 3.31Å; P81-A104 WeakPolarHBondContact CB-O 3.46Å; T102-A104 PolarHBondContact O-N 3.19Å; A104-G106 PolarHBondContact O-N 3.31Å; A104-G106 VanDerWaalsContact O-N 3.14Å
105Q97.9Very high96.2Very high175 Ų17598.1 Ų98.182%0.81855%0.553SS**THydrogen-bonded Turntrans62.111.2-177.3-53.9-62.1-32.500115.3P81 I103P81-Q105 HydrophobicContact CB-CB 4.05Å; P81-Q105 HydrophobicContact CG-CB 4.18Å; I103-Q105 PolarHBondContact O-N 3.27Å
106G97.6Very high96.1Very high2 Ų2101.4 Ų101.42%0.02157%0.57CS.*  trans-79.7-22.5178.200000114.9R82 Q85 I103 A104R82-G106 WeakPolarHBondContact CD-O 3.36Å; R82-G106 PolarHBondContact NH1-O 3.1Å; R82-G106 VanDerWaalsContact NH1-O 3.15Å; Q85-G106 WeakPolarHBondContact CB-O 3.43Å; Q85-G106 WeakPolarHBondContact CG-O 3.41Å; I103-G106 PolarHBondContact O-N 3.11Å; A104-G106 PolarHBondContact O-N 3.31Å; A104-G106 VanDerWaalsContact O-N 3.14Å
107G96.4Very high95.8Very high52 Ų5297.5 Ų97.554%0.53656%0.557SS.*  trans66.1-156.5-168.400000111.8Q85Q85-G107 WeakPolarHBondContact CG-O 3.4Å; Q85-G107 PolarHBondContact NE2-O 3.14Å
108V95.8Very high95.6Very high110 Ų11098.2 Ų98.267%0.66757%0.568SS**  trans-124.9161178.8-64.30000111R82R82-V108 PolarHBondContact NH1-O 3.38Å; R82-V108 PolarHBondContact NH2-O 3.14Å
109L95.1Very high95Very high54 Ų54105.7 Ų105.728%0.28360%0.599SS.*  trans-58.3133.3167.6-72.1-175.5000108.6L86 R89 N111L86-L109 HydrophobicContact CD2-CD2 3.87Å; R89-L109 HydrophobicContact CB-CD1 3.6Å; R89-L109 HydrophobicContact CB-CD2 3.93Å; R89-L109 HydrophobicContact CB-CG 3.61Å; R89-L109 HydrophobicContact CG-CG 4.38Å; L109-N111 PolarHBondContact O-N 2.83Å; L109-N111 VanDerWaalsContact O-N 3.13Å
110P93.6Very high94.3Very high107 Ų107113.3 Ų113.370%0.69562%0.618SS**  trans-57.7121.3175.5-21.333.8000109.3
111N94.7Very high93.3Very high119 Ų119107.6 Ų107.664%0.63661%0.611SS**  trans-149.5135.2177.6-17943.5000108.7L109 Q113L109-N111 PolarHBondContact O-N 2.83Å; L109-N111 VanDerWaalsContact O-N 3.13Å; N111-Q113 PolarHBondContact ND2-NE2 2.94Å
112I95.2Very high92Very high116 Ų116112.2 Ų112.260%0.59563%0.627SS**  trans-117.2120.2174.9-58177000107.1L116 L117I112-L116 HydrophobicContact CG2-CB 4.2Å; I112-L117 HydrophobicContact CG2-CD2 3.83Å; I112-L117 HydrophobicContact CG2-CG 4.32Å
113Q94Very high90.5Very high115 Ų115110.3 Ų110.354%0.53762%0.62SS.*  trans-65.6135.6175.1-63-63.8-17.200109.7N111 V115 L116N111-Q113 PolarHBondContact ND2-NE2 2.94Å; Q113-V115 HydrophobicContact CB-CG1 4.05Å; Q113-V115 PolarHBondContact O-N 3.26Å; Q113-L116 HydrophobicContact CB-CD1 4.28Å; Q113-L116 HydrophobicContact CB-CG 4.31Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 PolarHBondContact O-N 3.47Å
114A93.5Very high88.6Confident79 Ų79117.3 Ų117.365%0.65365%0.651SS**G310 helixtrans-56-30.4-175.500000113.6L116 L117A114-L116 PolarHBondContact O-N 2.91Å; A114-L117 WeakPolarHBondContact O-CB 3.45Å; A114-L117 PolarHBondContact O-N 3.39Å; A114-L117 VanDerWaalsContact O-N 3.13Å
115V95.1Very high86.8Confident131 Ų131122 Ų12279%0.79466%0.66SS**G310 helixtrans-62.9-25175.968.70000113.7Q113 L117Q113-V115 HydrophobicContact CB-CG1 4.05Å; Q113-V115 PolarHBondContact O-N 3.26Å; V115-L117 VanDerWaalsContact C-N 3.34Å
116L94.5Very high84.7Confident132 Ų132122.8 Ų122.869%0.69166%0.661SS**G310 helixtrans-85.9-8.9178.7-58.5176.9000112.5I112 Q113 A114I112-L116 HydrophobicContact CG2-CB 4.2Å; Q113-L116 HydrophobicContact CB-CD1 4.28Å; Q113-L116 HydrophobicContact CB-CG 4.31Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 PolarHBondContact O-N 3.47Å; A114-L116 PolarHBondContact O-N 2.91Å
117L93.6Very high82.9Confident97 Ų97127.3 Ų127.351%0.50870%0.698SS.*SBendtrans-76.7144.5176.1-62.4175.5000110I112 A114 V115 K119I112-L117 HydrophobicContact CG2-CD2 3.83Å; I112-L117 HydrophobicContact CG2-CG 4.32Å; A114-L117 WeakPolarHBondContact O-CB 3.45Å; A114-L117 PolarHBondContact O-N 3.39Å; A114-L117 VanDerWaalsContact O-N 3.13Å; V115-L117 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3Å
118P92.3Very high80.9Confident121 Ų121135 Ų13579%0.78672%0.717SS**PPolyproline II helixtrans-56.2134.3174.6-21.131000110.6K120P118-K120 PolarHBondContact O-N 3.49Å
119K85.5Confident79.1Confident197 Ų197133.2 Ų133.286%0.85772%0.72SS**PPolyproline II helixtrans-61.9127168.2-68.7-178.2174.7178.30107.5L117 T121L117-K119 PolarHBondContact O-N 3Å; K119-T121 PolarHBondContact O-N 3.21Å
120K80.9Confident77.3Confident209 Ų209144.1 Ų144.191%0.90977%0.766SS**  trans-54110169.7-90-178.2172.5-179.90107.9P118P118-K120 PolarHBondContact O-N 3.49Å
121T74.1Confident76.4Confident130 Ų130146 Ų14680%0.79877%0.769SS**  trans-70.7127.8163.342.90000107.2K119 S123K119-T121 PolarHBondContact O-N 3.21Å; T121-S123 PolarHBondContact O-N 2.97Å
122E69.6Low75.5Confident171 Ų171147.4 Ų147.480%0.79978%0.776SS**  trans-53.8118.2169.8-66.8-171.9166.800108.1H124E122-H124 PolarHBondContact O-N 3.41Å
123S64.6Low74.4Confident94 Ų94149.2 Ų149.266%0.65779%0.786SS**  trans-62.5106.5171.653.60000106.8T121 H125T121-S123 PolarHBondContact O-N 2.97Å; S123-H125 PolarHBondContact O-N 2.73Å
124H59.4Low73.2Confident177 Ų177151.2 Ų151.282%0.81980%0.801SS**  trans-65.473166.5-73.4-69.7000109E122 K126E122-H124 PolarHBondContact O-N 3.41Å; H124-K126 PolarHBondContact O-N 3.27Å
125H58.6Low72Confident173 Ų173155.7 Ų155.780%0.80181%0.81SS**  trans-6981.4155.4-88.2-56.4000106.5S123 A127S123-H125 PolarHBondContact O-N 2.73Å; H125-A127 VanDerWaalsContact C-N 3.26Å; H125-A127 PolarHBondContact O-N 2.78Å
126K55.7Low70.4Confident192 Ų192157.3 Ų157.384%0.83581%0.811SS**  trans-58.2100157.3-112.5-179.8178.2175.50105.5H124 K128H124-K126 PolarHBondContact O-N 3.27Å; K126-K128 VanDerWaalsContact C-N 3.29Å; K126-K128 PolarHBondContact O-N 3.26Å
127A59.1Low68.7Low98 Ų98159.1 Ų159.181%0.8182%0.82SS**  trans-5699.6163.900000107H125 G129H125-A127 VanDerWaalsContact C-N 3.26Å; H125-A127 PolarHBondContact O-N 2.78Å; A127-G129 PolarHBondContact O-N 3.36Å; A127-G129 VanDerWaalsContact O-N 3.1Å
128K54.1Low66.8Low214 Ų214163.9 Ų163.993%0.9384%0.844SS**  trans-75.686.4163.3-80.3-173.5176.3-179.90106.2K126K126-K128 VanDerWaalsContact C-N 3.29Å; K126-K128 PolarHBondContact O-N 3.26Å
129G58.9Low64.7Low71 Ų71167.5 Ų167.573%0.73285%0.848SS**  trans-128.793165.400000107.4A127A127-G129 PolarHBondContact O-N 3.36Å; A127-G129 VanDerWaalsContact O-N 3.1Å
130K55.5Low62.8Low284 Ų284164.8 Ų164.8100%1.23585%0.848SS**  trans-95.60155.8-90.9-172.3173.1-172.80106.8

Retrieved 130 of 130 residues in 32.3 ms (Link to these results)