A0A096MY79_PAPAN Loading...

UDP-glucose 6-dehydrogenase

Catalyzes the formation of UDP-alpha-D-glucuronate, a constituent of complex glycosaminoglycans. Required for the biosynthesis of chondroitin sulfate and heparan sulfate. Required for embryonic development via its role in the biosynthesis of glycosaminoglycans. Required for proper brain and neuronal development. Involved in the biosynthesis of glycosaminoglycans; hyaluronan, chondroitin sulfate, and heparan sulfate.

AlphaFold DB , UniProt , Accession A0A096MY79, Species PAPAN (Papio anubis, Olive baboon), Gene UGDH, Length 494 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M67.1Low95.2Very high212 Ų21254.6 Ų54.6100%1.04426%0.257SS*.  0136.70-164.3176.8-79.700106.3E3M1-E3 PolarHBondContact O-N 3.32Å
2F94.1Very high95.4Very high67 Ų6750.1 Ų50.129%0.29424%0.236SC..  trans-70.4126.7178.1177.5-99.8000108.8I4 D83 Y123 I125 A194F2-I4 HydrophobicContact CD1-CG1 4.3Å; F2-I4 HydrophobicContact CE1-CG1 3.82Å; F2-D83 HydrophobicContact CE1-CB 4.26Å; F2-D83 HydrophobicContact CZ-CB 3.8Å; F2-Y123 AromaticContact CD1-CE1 3.93Å; F2-Y123 HydrophobicContact CD1-CE1 3.93Å; F2-Y123 AromaticContact CD2-CD1 3.98Å; F2-Y123 HydrophobicContact CD2-CD1 3.98Å; F2-Y123 HydrophobicContact CD2-CE1 4.02Å; F2-Y123 HydrophobicContact CE1-CD1 4.15Å; F2-Y123 AromaticContact CE1-CE1 3.76Å; F2-Y123 HydrophobicContact CE1-CE1 3.76Å; F2-Y123 AromaticContact CE2-CD1 3.52Å; F2-Y123 HydrophobicContact CE2-CD1 3.52Å; F2-Y123 AromaticContact CE2-CE1 3.87Å; F2-Y123 HydrophobicContact CE2-CE1 3.87Å; F2-Y123 HydrophobicContact CG-CD1 4.47Å; F2-Y123 HydrophobicContact CG-CE1 4.04Å; F2-Y123 AromaticContact CZ-CD1 3.61Å; F2-Y123 HydrophobicContact CZ-CD1 3.61Å; F2-Y123 AromaticContact CZ-CE1 3.72Å; F2-Y123 HydrophobicContact CZ-CE1 3.72Å; F2-I125 HydrophobicContact CD1-CD1 4.01Å; F2-I125 HydrophobicContact CE1-CD1 3.78Å; F2-I125 HydrophobicContact CE1-CG1 4.34Å; F2-A194 HydrophobicContact CD1-CB 3.87Å
3E96.9Very high95.2Very high120 Ų12047.2 Ų47.256%0.56123%0.227SC*.  trans-111.8126179-72.5-176.6-168.800109.8M1 K5M1-E3 PolarHBondContact O-N 3.32Å; E3-K5 PolarHBondContact O-N 3.37Å; E3-K5 WeakPolarHBondContact OE2-CE 3.15Å; E3-K5 IonicContact OE2-NZ 3.41Å; E3-K5 PolarHBondContact OE2-NZ 3.32Å
4I98.8Very high94.9Very high10 Ų1047.9 Ų47.95%0.05123%0.227CC..  trans-76.8121.4175.2-64.5165000108.1F2 I7 D83 L84 I125 A194 V198F2-I4 HydrophobicContact CD1-CG1 4.3Å; F2-I4 HydrophobicContact CE1-CG1 3.82Å; I4-I7 HydrophobicContact CG2-CD1 4.15Å; I4-I7 HydrophobicContact CG2-CG1 3.65Å; I4-D83 HydrophobicContact CG2-CB 4.26Å; I4-L84 HydrophobicContact CD1-CB 4.09Å; I4-L84 HydrophobicContact CD1-CD2 4.12Å; I4-L84 HydrophobicContact CG1-CB 4.34Å; I4-L84 HydrophobicContact CG2-CB 3.88Å; I4-I125 HydrophobicContact CD1-CD1 4.21Å; I4-A194 HydrophobicContact CD1-CB 4.03Å; I4-A194 HydrophobicContact CG1-CB 4.32Å; I4-V198 HydrophobicContact CB-CG2 4.1Å; I4-V198 HydrophobicContact CD1-CG2 3.85Å; I4-V198 HydrophobicContact CG2-CG2 4.34Å
5K98.7Very high94.8Very high96 Ų9646.4 Ų46.442%0.41722%0.222SC..  trans-115.3-24.2175.9-60-60.5-178.5-168.50112.4E3 I30 R31 D83E3-K5 PolarHBondContact O-N 3.37Å; E3-K5 WeakPolarHBondContact OE2-CE 3.15Å; E3-K5 IonicContact OE2-NZ 3.41Å; E3-K5 PolarHBondContact OE2-NZ 3.32Å; K5-I30 WeakPolarHBondContact O-CA 3.39Å; K5-R31 PolarHBondContact O-N 3.34Å; K5-D83 WeakPolarHBondContact CA-OD2 3.46Å; K5-D83 PolarHBondContact N-OD2 3.38Å
6K98.9Very high94.9Very high74 Ų7443.5 Ų43.532%0.32221%0.208SC..EExtended strand (participates in β ladder)trans-128.5123.3178.9-64.2-177.2177.2-170.10111.5R31 E81 D83 L84K6-R31 CarbonylContact C-O 3.59Å; K6-R31 WeakPolarHBondContact CA-O 3.4Å; K6-R31 HydrophobicContact CG-CB 4.43Å; K6-E81 HydrophobicContact CD-CB 4.07Å; K6-E81 VanDerWaalsContact CD-O 3.28Å; K6-E81 WeakPolarHBondContact CD-O 3.23Å; K6-E81 IonicContact NZ-OE2 3.01Å; K6-E81 PolarHBondContact NZ-OE2 3.4Å; K6-D83 PolarHBondContact N-OD2 3.35Å; K6-D83 PolarHBondContact O-N 3.05Å; K6-L84 PolarHBondContact O-N 3.17Å
7I98.9Very high95.1Very high3 Ų340.9 Ų40.92%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-112.4128.9175.9-60.8179.3000109.2I4 I23 I30 R31 V32 T33 L84 F86 V198I4-I7 HydrophobicContact CG2-CD1 4.15Å; I4-I7 HydrophobicContact CG2-CG1 3.65Å; I7-I23 HydrophobicContact CD1-CG2 3.81Å; I7-I30 HydrophobicContact CB-CG2 4.46Å; I7-I30 HydrophobicContact CD1-CG2 3.67Å; I7-I30 HydrophobicContact CG1-CG2 3.7Å; I7-R31 PolarHBondContact N-O 3.24Å; I7-V32 HydrophobicContact CB-CG1 4.43Å; I7-V32 HydrophobicContact CB-CG2 4.37Å; I7-V32 HydrophobicContact CD1-CG2 4.5Å; I7-V32 HydrophobicContact CG2-CG1 4.37Å; I7-V32 WeakPolarHBondContact O-CA 3.33Å; I7-T33 PolarHBondContact O-N 2.85Å; I7-L84 WeakPolarHBondContact CA-O 3.45Å; I7-L84 HydrophobicContact CD1-CD2 4.03Å; I7-L84 HydrophobicContact CG1-CB 4.24Å; I7-L84 HydrophobicContact CG1-CD2 4.05Å; I7-L84 HydrophobicContact CG2-CD2 4.37Å; I7-F86 HydrophobicContact CG2-CD2 3.72Å; I7-F86 HydrophobicContact CG2-CE2 3.97Å; I7-V198 HydrophobicContact CD1-CG1 4.43Å
8C98.9Very high95.2Very high1 Ų138.7 Ų38.71%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-106.3137.9164.3173.10000108.9T33 A78 A82 L84 V85 F86C8-T33 CarbonylContact C-O 3.56Å; C8-T33 WeakPolarHBondContact CA-O 3.36Å; C8-A78 HydrophobicContact CB-CB 4.29Å; C8-A78 WeakPolarHBondContact CB-O 3.48Å; C8-A82 HydrophobicContact CB-CB 3.59Å; C8-L84 PolarHBondContact N-O 2.95Å; C8-V85 HydrophobicContact CB-CG1 4.42Å; C8-V85 HydrophobicContact CB-CG2 4.34Å; C8-V85 CarbonylContact O-C 3.42Å; C8-V85 VanDerWaalsContact O-CA 3.28Å; C8-V85 WeakPolarHBondContact O-CA 3.24Å; C8-F86 PolarHBondContact O-N 3.29Å
9C98.8Very high95.4Very high1 Ų136.7 Ų36.71%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-124.9117.5171.3178.60000110.2C20 T33 V35 F86C9-C20 WeakPolarHBondContact CB-SG 3.38Å; C9-C20 VanDerWaalsContact SG-SG 3.66Å; C9-T33 PolarHBondContact N-O 3.3Å; C9-V35 WeakPolarHBondContact O-CG2 3.34Å; C9-V35 PolarHBondContact O-N 2.81Å; C9-F86 HydrophobicContact CB-CB 4.01Å
10I98.6Very high95.6Very high12 Ų1235 Ų356%0.06217%0.168CC..EExtended strand (participates in β ladder)trans-89108.6176.8-50.4174000108.6V35 I79 V85 F86 S88 V89 C112 I116I10-V35 HydrophobicContact CB-CG2 4.39Å; I10-V35 HydrophobicContact CG1-CG2 4.03Å; I10-I79 HydrophobicContact CD1-CD1 3.87Å; I10-I79 HydrophobicContact CD1-CG1 4.13Å; I10-V85 HydrophobicContact CD1-CG1 3.96Å; I10-V85 HydrophobicContact CG1-CG1 4.16Å; I10-F86 PolarHBondContact N-O 2.84Å; I10-S88 CarbonylContact O-C 3.59Å; I10-S88 WeakPolarHBondContact O-CA 3.24Å; I10-S88 PolarHBondContact O-N 3.08Å; I10-V89 HydrophobicContact CG2-CG1 4.13Å; I10-C112 HydrophobicContact CD1-CB 4.36Å; I10-I116 HydrophobicContact CD1-CD1 3.99Å; I10-I116 HydrophobicContact CD1-CG1 3.99Å
11G97.4Very high95.7Very high5 Ų533.3 Ų33.35%0.05216%0.16CC..  trans119.7106.7-178.900000112.2G13 G16 V35G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.76Å; G11-G16 WeakPolarHBondContact O-CA 3.32Å; G11-V35 PolarHBondContact N-O 2.9Å
12A97.4Very high97.2Very high0 Ų023.2 Ų23.20%011%0.11CC..  trans-97.336.1-178.200000112.6V34 D36 R41 I42 W45A12-V34 HydrophobicContact CB-CG1 3.71Å; A12-D36 HydrophobicContact CB-CB 3.74Å; A12-D36 PolarHBondContact N-OD2 3.29Å; A12-R41 WeakPolarHBondContact O-CD 3.35Å; A12-I42 HydrophobicContact CB-CD1 3.96Å; A12-W45 PolarHBondContact O-NE1 3.38Å
13G93.6Very high97.4Very high12 Ų1220.1 Ų20.112%0.12410%0.096CC..SBendtrans-88-160.2179.700000114G11 V15 G17 P18G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.76Å; G13-V15 PolarHBondContact O-N 2.7Å; G13-V15 VanDerWaalsContact O-N 3.15Å; G13-G17 PolarHBondContact O-N 3.3Å; G13-G17 VanDerWaalsContact O-N 3.14Å; G13-P18 WeakPolarHBondContact O-CD 3.48Å
14Y90.8Very high97.5Very high58 Ų5814.4 Ų14.423%0.2277%0.07CC..THydrogen-bonded Turntrans-58.9-21.2178.4-74.4-88000115P18 I52 E165Y14-P18 WeakPolarHBondContact O-CD 3.28Å; Y14-P18 WeakPolarHBondContact O-CG 3.41Å; Y14-I52 HydrophobicContact CD1-CB 4.26Å; Y14-I52 HydrophobicContact CD1-CD1 4.11Å; Y14-I52 HydrophobicContact CD1-CG2 4.09Å; Y14-I52 HydrophobicContact CD2-CG2 4.16Å; Y14-I52 HydrophobicContact CE1-CB 3.87Å; Y14-I52 HydrophobicContact CE1-CG2 3.77Å; Y14-I52 HydrophobicContact CE2-CG2 3.82Å; Y14-I52 HydrophobicContact CG-CD1 4.5Å; Y14-I52 HydrophobicContact CG-CG2 4.28Å; Y14-E165 HydrophobicContact CD1-CG 4.13Å
15V93.4Very high97.5Very high25 Ų2520.3 Ų20.315%0.1529%0.092CC..THydrogen-bonded Turntrans-96.1-66.1176.4176.40000110.3G13 G17 T19 K129 T131 E161G13-V15 PolarHBondContact O-N 2.7Å; G13-V15 VanDerWaalsContact O-N 3.15Å; V15-G17 PolarHBondContact O-N 3.32Å; V15-T19 WeakPolarHBondContact O-CB 3.42Å; V15-T19 PolarHBondContact O-N 2.67Å; V15-T19 VanDerWaalsContact O-N 3.11Å; V15-T19 PolarHBondContact O-OG1 3.12Å; V15-K129 HydrophobicContact CG1-CD 4.06Å; V15-K129 HydrophobicContact CG1-CG 3.63Å; V15-T131 HydrophobicContact CG2-CG2 4.4Å; V15-E161 HydrophobicContact CG1-CB 3.96Å; V15-E161 HydrophobicContact CG1-CG 4.05Å; V15-E161 HydrophobicContact CG2-CG 4.49Å
16G96.7Very high97.5Very high0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-60.5-39.7-17100000114.3G11 C20G11-G16 WeakPolarHBondContact O-CA 3.32Å; G16-C20 WeakPolarHBondContact O-CB 3.35Å; G16-C20 PolarHBondContact O-N 3.17Å; G16-C20 PolarHBondContact O-SG 3.05Å
17G97.6Very high97.5Very high0 Ų014.8 Ų14.80%07%0.069CC..Hα-helixtrans-62.5-62.2179.800000113G13 V15 T19 C20 S21G13-G17 PolarHBondContact O-N 3.3Å; G13-G17 VanDerWaalsContact O-N 3.14Å; V15-G17 PolarHBondContact O-N 3.32Å; G17-T19 PolarHBondContact O-N 2.7Å; G17-C20 PolarHBondContact O-N 3.16Å; G17-S21 WeakPolarHBondContact O-CB 3.41Å; G17-S21 PolarHBondContact O-N 2.96Å; G17-S21 PolarHBondContact O-OG 3.19Å
18P97.6Very high97.4Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-58-46.6178.1-29.238.4000113.9G13 Y14 C20 S21 V22 I52 L57 L172G13-P18 WeakPolarHBondContact O-CD 3.48Å; Y14-P18 WeakPolarHBondContact O-CD 3.28Å; Y14-P18 WeakPolarHBondContact O-CG 3.41Å; P18-C20 PolarHBondContact O-N 3.48Å; P18-S21 PolarHBondContact O-N 2.99Å; P18-V22 WeakPolarHBondContact O-CG2 3.27Å; P18-V22 PolarHBondContact O-N 3.19Å; P18-I52 HydrophobicContact CG-CD1 3.76Å; P18-L57 HydrophobicContact CB-CD1 4.21Å; P18-L57 HydrophobicContact CG-CD1 4.19Å; P18-L57 HydrophobicContact CG-CD2 4.33Å; P18-L172 HydrophobicContact CB-CD1 3.77Å
19T98.3Very high97.4Very high2 Ų223.5 Ų23.51%0.01212%0.118CC..Hα-helixtrans-58-50.3179.5-55.70000110.9V15 G17 S21 V22 I23 K129 E161 L172V15-T19 WeakPolarHBondContact O-CB 3.42Å; V15-T19 PolarHBondContact O-N 2.67Å; V15-T19 VanDerWaalsContact O-N 3.11Å; V15-T19 PolarHBondContact O-OG1 3.12Å; G17-T19 PolarHBondContact O-N 2.7Å; T19-S21 VanDerWaalsContact C-N 3.31Å; T19-S21 PolarHBondContact O-N 2.69Å; T19-V22 PolarHBondContact O-N 3.14Å; T19-I23 HydrophobicContact CG2-CD1 3.89Å; T19-I23 WeakPolarHBondContact O-CG1 3.29Å; T19-I23 PolarHBondContact O-N 3.25Å; T19-K129 HydrophobicContact CG2-CD 3.75Å; T19-E161 PolarHBondContact OG1-OE2 3.17Å; T19-L172 HydrophobicContact CG2-CD2 4.33Å
20C98.7Very high97.4Very high1 Ų123.6 Ų23.61%0.00712%0.118CC..Hα-helixtrans-67.3-33-178.8-72.30000113C9 G16 G17 P18 V22 I23 A24 V32 V34C9-C20 WeakPolarHBondContact CB-SG 3.38Å; C9-C20 VanDerWaalsContact SG-SG 3.66Å; G16-C20 WeakPolarHBondContact O-CB 3.35Å; G16-C20 PolarHBondContact O-N 3.17Å; G16-C20 PolarHBondContact O-SG 3.05Å; G17-C20 PolarHBondContact O-N 3.16Å; P18-C20 PolarHBondContact O-N 3.48Å; C20-V22 VanDerWaalsContact C-N 3.34Å; C20-I23 PolarHBondContact O-N 3.32Å; C20-A24 WeakPolarHBondContact O-CB 2.99Å; C20-A24 PolarHBondContact O-N 3.45Å; C20-V32 HydrophobicContact CB-CG1 3.57Å; C20-V34 HydrophobicContact CB-CG2 3.37Å
21S98.8Very high97.4Very high0 Ų028.4 Ų28.40%014%0.136CC..Hα-helixtrans-65.3-40.2175.8-56.30000111.3G17 P18 T19 R25 V60G17-S21 WeakPolarHBondContact O-CB 3.41Å; G17-S21 PolarHBondContact O-N 2.96Å; G17-S21 PolarHBondContact O-OG 3.19Å; P18-S21 PolarHBondContact O-N 2.99Å; T19-S21 VanDerWaalsContact C-N 3.31Å; T19-S21 PolarHBondContact O-N 2.69Å; S21-R25 WeakPolarHBondContact O-CB 2.92Å; S21-R25 PolarHBondContact O-N 2.87Å; S21-V60 WeakPolarHBondContact O-CG1 3.49Å
22V98.6Very high97.5Very high1 Ų128.2 Ų28.21%0.00613%0.133CC..Hα-helixtrans-70.1-43174.7174.90000111.5P18 T19 C20 A24 R25 M26 V60 I169 L172 K173P18-V22 WeakPolarHBondContact O-CG2 3.27Å; P18-V22 PolarHBondContact O-N 3.19Å; T19-V22 PolarHBondContact O-N 3.14Å; C20-V22 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.31Å; V22-R25 WeakPolarHBondContact O-CB 3.49Å; V22-R25 PolarHBondContact O-N 3.4Å; V22-R25 VanDerWaalsContact O-N 3.13Å; V22-M26 HydrophobicContact CG1-CG 4.1Å; V22-M26 VanDerWaalsContact O-CG 3.31Å; V22-M26 WeakPolarHBondContact O-CG 2.95Å; V22-M26 PolarHBondContact O-N 3.35Å; V22-V60 HydrophobicContact CG2-CG1 4.44Å; V22-I169 HydrophobicContact CG2-CD1 4.17Å; V22-L172 HydrophobicContact CB-CB 4.26Å; V22-L172 HydrophobicContact CG1-CB 4.19Å; V22-L172 HydrophobicContact CG2-CB 3.9Å; V22-L172 HydrophobicContact CG2-CD1 3.95Å; V22-K173 HydrophobicContact CG1-CG 4.36Å
23I98.8Very high97.6Very high1 Ų129.1 Ų29.11%0.00514%0.139CC..Hα-helixtrans-56.9-50.3174.8-67.8166000110.2I7 T19 C20 R25 M26 C27 V32 F86 V198 W202I7-I23 HydrophobicContact CD1-CG2 3.81Å; T19-I23 HydrophobicContact CG2-CD1 3.89Å; T19-I23 WeakPolarHBondContact O-CG1 3.29Å; T19-I23 PolarHBondContact O-N 3.25Å; C20-I23 PolarHBondContact O-N 3.32Å; I23-R25 PolarHBondContact O-N 2.75Å; I23-M26 PolarHBondContact O-N 3.13Å; I23-M26 VanDerWaalsContact O-N 3.15Å; I23-C27 WeakPolarHBondContact O-CB 3.47Å; I23-C27 PolarHBondContact O-N 2.9Å; I23-V32 HydrophobicContact CG2-CG2 3.99Å; I23-F86 HydrophobicContact CD1-CE2 3.89Å; I23-F86 HydrophobicContact CD1-CZ 4.32Å; I23-V198 HydrophobicContact CG2-CG1 4.05Å; I23-W202 HydrophobicContact CG1-CH2 3.84Å
24A98.8Very high97.8Very high1 Ų128.5 Ų28.51%0.00813%0.133CC..Hα-helixtrans-60.7-35.5178.700000112.4C20 V22 V32 C64 N68 L69C20-A24 WeakPolarHBondContact O-CB 2.99Å; C20-A24 PolarHBondContact O-N 3.45Å; V22-A24 PolarHBondContact O-N 3.31Å; A24-V32 HydrophobicContact CB-CB 4.06Å; A24-V32 HydrophobicContact CB-CG2 3.87Å; A24-C64 HydrophobicContact CB-CB 4.3Å; A24-N68 PolarHBondContact O-ND2 3.12Å; A24-N68 PolarHBondContact O-OD1 2.89Å; A24-L69 HydrophobicContact CB-CB 3.73Å; A24-L69 HydrophobicContact CB-CD1 4.17Å; A24-L69 HydrophobicContact CB-CG 4.43Å
25R98.6Very high98.2Very high133 Ų13325.8 Ų25.850%0.50212%0.122SC..Hα-helixtrans-68.4-38.2176.9177.857.3174.5156.51.2112.7S21 V22 I23 V60 S63S21-R25 WeakPolarHBondContact O-CB 2.92Å; S21-R25 PolarHBondContact O-N 2.87Å; V22-R25 WeakPolarHBondContact O-CB 3.49Å; V22-R25 PolarHBondContact O-N 3.4Å; V22-R25 VanDerWaalsContact O-N 3.13Å; I23-R25 PolarHBondContact O-N 2.75Å; R25-V60 HydrophobicContact CB-CG1 4.05Å; R25-V60 HydrophobicContact CG-CG1 4.45Å; R25-S63 WeakPolarHBondContact CD-OG 3.32Å
26M98.5Very high98.4Very high55 Ų5525.4 Ų25.427%0.27112%0.119SC..Hα-helixtrans-89.3-21.5-175.1-62.2-59.2-167.900113.5V22 I23 P28 K173 W202V22-M26 HydrophobicContact CG1-CG 4.1Å; V22-M26 VanDerWaalsContact O-CG 3.31Å; V22-M26 WeakPolarHBondContact O-CG 2.95Å; V22-M26 PolarHBondContact O-N 3.35Å; I23-M26 PolarHBondContact O-N 3.13Å; I23-M26 VanDerWaalsContact O-N 3.15Å; M26-P28 WeakPolarHBondContact O-CD 3.44Å; M26-K173 HydrophobicContact CE-CB 4.36Å; M26-K173 HydrophobicContact CE-CD 4.23Å; M26-K173 HydrophobicContact CE-CG 3.74Å; M26-W202 HydrophobicContact CB-CB 4.2Å; M26-W202 HydrophobicContact CB-CD2 3.72Å; M26-W202 HydrophobicContact CB-CE3 3.3Å; M26-W202 HydrophobicContact CB-CG 4.11Å; M26-W202 HydrophobicContact CB-CZ3 3.95Å; M26-W202 HydrophobicContact CE-CB 4.28Å; M26-W202 HydrophobicContact CE-CG 4.27Å; M26-W202 HydrophobicContact CG-CB 3.94Å; M26-W202 HydrophobicContact CG-CD2 3.65Å; M26-W202 HydrophobicContact CG-CE3 3.81Å; M26-W202 HydrophobicContact CG-CG 3.71Å; M26-W202 HydrophobicContact SD-CB 3.95Å; M26-W202 HydrophobicContact SD-CG 4.25Å
27C98.3Very high98.5Very high0 Ų031 Ų310%015%0.153CC..  trans-123.974.4179.4-54.10000110.3I23 E29 I30 N68I23-C27 WeakPolarHBondContact O-CB 3.47Å; I23-C27 PolarHBondContact O-N 2.9Å; C27-E29 WeakPolarHBondContact CA-OE1 3.38Å; C27-E29 WeakPolarHBondContact CB-OE1 3.34Å; C27-E29 PolarHBondContact O-N 2.98Å; C27-E29 VanDerWaalsContact O-N 3.13Å; C27-I30 HydrophobicContact CB-CB 3.97Å; C27-I30 HydrophobicContact CB-CD1 3.68Å; C27-I30 HydrophobicContact CB-CG1 3.82Å; C27-I30 PolarHBondContact O-N 3Å; C27-N68 PolarHBondContact O-ND2 3.33Å; C27-N68 VanDerWaalsContact O-ND2 3.12Å
28P97.8Very high98.5Very high91 Ų9133.9 Ų33.959%0.59117%0.168SC*.THydrogen-bonded Turntrans-56.8-27.1-177.4-25.835.7000114.6M26 I30 N68M26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-I30 VanDerWaalsContact C-N 3.35Å; P28-N68 WeakPolarHBondContact CA-ND2 3.23Å; P28-N68 PolarHBondContact O-ND2 2.9Å
29E98.3Very high98.5Very high95 Ų9539.7 Ų39.744%0.44420%0.196SC..THydrogen-bonded Turntrans-77.8-14.9177.769.4-65.3148.800114.2C27 H201C27-E29 WeakPolarHBondContact CA-OE1 3.38Å; C27-E29 WeakPolarHBondContact CB-OE1 3.34Å; C27-E29 PolarHBondContact O-N 2.98Å; C27-E29 VanDerWaalsContact O-N 3.13Å; E29-H201 IonicContact OE1-CD2 3.41Å; E29-H201 PolarHBondContact OE1-CD2 3.01Å; E29-H201 IonicContact OE1-NE2 2.79Å; E29-H201 PolarHBondContact OE1-NE2 3.45Å; E29-H201 VanDerWaalsContact OE1-NE2 3.12Å
30I98.8Very high98.5Very high4 Ų443.7 Ų43.72%0.02122%0.223CC..SBendtrans-94.3126.6176.9-59.7-177.9000109.3K5 I7 C27 P28 V32 N68 V198K5-I30 WeakPolarHBondContact O-CA 3.39Å; I7-I30 HydrophobicContact CB-CG2 4.46Å; I7-I30 HydrophobicContact CD1-CG2 3.67Å; I7-I30 HydrophobicContact CG1-CG2 3.7Å; C27-I30 HydrophobicContact CB-CB 3.97Å; C27-I30 HydrophobicContact CB-CD1 3.68Å; C27-I30 HydrophobicContact CB-CG1 3.82Å; C27-I30 PolarHBondContact O-N 3Å; P28-I30 VanDerWaalsContact C-N 3.35Å; I30-V32 HydrophobicContact CG2-CG2 4.11Å; I30-N68 PolarHBondContact O-ND2 3.29Å; I30-V198 HydrophobicContact CD1-CG1 4.19Å; I30-V198 HydrophobicContact CD1-CG2 4Å
31R98.9Very high98.4Very high113 Ų11347.4 Ų47.443%0.42624%0.237SC..EExtended strand (participates in β ladder)trans-81.5119.9170.8178.6173178.4162.4-3.4109.9K5 K6 I7 F70K5-R31 PolarHBondContact O-N 3.34Å; K6-R31 CarbonylContact C-O 3.59Å; K6-R31 WeakPolarHBondContact CA-O 3.4Å; K6-R31 HydrophobicContact CG-CB 4.43Å; I7-R31 PolarHBondContact N-O 3.24Å; R31-F70 HydrophobicContact CG-CD2 4.1Å; R31-F70 HydrophobicContact CG-CE2 3.96Å
32V98.9Very high98.4Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-113.3119.2-179.8-172.60000110I7 C20 I23 A24 I30 N68 L69 F70I7-V32 HydrophobicContact CB-CG1 4.43Å; I7-V32 HydrophobicContact CB-CG2 4.37Å; I7-V32 HydrophobicContact CD1-CG2 4.5Å; I7-V32 HydrophobicContact CG2-CG1 4.37Å; I7-V32 WeakPolarHBondContact O-CA 3.33Å; C20-V32 HydrophobicContact CB-CG1 3.57Å; I23-V32 HydrophobicContact CG2-CG2 3.99Å; A24-V32 HydrophobicContact CB-CB 4.06Å; A24-V32 HydrophobicContact CB-CG2 3.87Å; I30-V32 HydrophobicContact CG2-CG2 4.11Å; V32-N68 PolarHBondContact N-O 2.89Å; V32-L69 HydrophobicContact CB-CD1 4.33Å; V32-L69 HydrophobicContact CG1-CD1 4.22Å; V32-L69 CarbonylContact O-C 3.56Å; V32-L69 WeakPolarHBondContact O-CA 3.32Å; V32-F70 PolarHBondContact O-N 3.15Å
33T98.9Very high98.4Very high19 Ų1951.6 Ų51.612%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-118112.6177.9-50.80000109.6I7 C8 C9 V35 F70 A78I7-T33 PolarHBondContact O-N 2.85Å; C8-T33 CarbonylContact C-O 3.56Å; C8-T33 WeakPolarHBondContact CA-O 3.36Å; C9-T33 PolarHBondContact N-O 3.3Å; T33-V35 HydrophobicContact CG2-CG1 3.98Å; T33-F70 CarbonylContact C-O 3.59Å; T33-F70 WeakPolarHBondContact CA-O 3.38Å; T33-F70 HydrophobicContact CG2-CB 4.24Å; T33-A78 HydrophobicContact CG2-CB 4.08Å
34V98.9Very high98.4Very high0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-91.8128.5174.9-171.80000108.5A12 C20 L69 F70 F71 S72A12-V34 HydrophobicContact CB-CG1 3.71Å; C20-V34 HydrophobicContact CB-CG2 3.37Å; V34-L69 HydrophobicContact CG2-CD1 4.14Å; V34-F70 PolarHBondContact N-O 3.4Å; V34-F71 HydrophobicContact CB-CD1 3.66Å; V34-F71 HydrophobicContact CB-CE1 3.82Å; V34-F71 HydrophobicContact CG1-CD1 4.11Å; V34-F71 HydrophobicContact CG1-CE1 4.15Å; V34-F71 HydrophobicContact CG2-CD1 4.25Å; V34-F71 HydrophobicContact CG2-CE1 3.94Å; V34-F71 VanDerWaalsContact O-CA 3.31Å; V34-F71 WeakPolarHBondContact O-CA 3.37Å; V34-S72 PolarHBondContact O-N 3.24Å
35V98.9Very high98.4Very high0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-126145.5-177.4-590000112.1C9 I10 G11 T33 S72 I75 A78C9-V35 WeakPolarHBondContact O-CG2 3.34Å; C9-V35 PolarHBondContact O-N 2.81Å; I10-V35 HydrophobicContact CB-CG2 4.39Å; I10-V35 HydrophobicContact CG1-CG2 4.03Å; G11-V35 PolarHBondContact N-O 2.9Å; T33-V35 HydrophobicContact CG2-CG1 3.98Å; V35-S72 WeakPolarHBondContact CA-O 3.37Å; V35-S72 WeakPolarHBondContact CB-O 3.34Å; V35-I75 HydrophobicContact CB-CB 4.47Å; V35-I75 HydrophobicContact CB-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CB 4.2Å; V35-I75 HydrophobicContact CG2-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CG2 4.17Å; V35-A78 HydrophobicContact CG1-CB 3.66Å
36D98.6Very high98.4Very high17 Ų1749.7 Ų49.79%0.09126%0.263CS..  trans-148.9151.2177.7-156.8-56.6000109.3A12 N38 R41 I42 S72A12-D36 HydrophobicContact CB-CB 3.74Å; A12-D36 PolarHBondContact N-OD2 3.29Å; D36-N38 WeakPolarHBondContact OD1-CB 3.45Å; D36-N38 PolarHBondContact OD1-N 3.26Å; D36-R41 IonicContact OD2-NH1 3.88Å; D36-R41 PolarHBondContact OD2-NH1 3.02Å; D36-I42 HydrophobicContact CB-CD1 3.8Å; D36-I42 HydrophobicContact CB-CG1 3.92Å; D36-S72 PolarHBondContact N-O 3.38Å
37V97.4Very high98.4Very high118 Ų11848.7 Ų48.772%0.71526%0.261SS*.SBendtrans-73.8-21.2174.1-65.60000111.5E39 I75V37-E39 PolarHBondContact O-N 3.48Å; V37-I75 HydrophobicContact CG1-CD1 3.55Å
38N97.9Very high98.3Very high60 Ų6052.8 Ų52.832%0.32129%0.288SS..  trans-82.699.9178.8-173.6-35000110.6D36 S40 R41 I42D36-N38 WeakPolarHBondContact OD1-CB 3.45Å; D36-N38 PolarHBondContact OD1-N 3.26Å; N38-S40 PolarHBondContact O-N 3.46Å; N38-S40 PolarHBondContact OD1-N 3.46Å; N38-S40 PolarHBondContact OD1-OG 2.86Å; N38-R41 HydrophobicContact CB-CB 3.93Å; N38-R41 WeakPolarHBondContact O-CB 3.41Å; N38-R41 PolarHBondContact O-N 2.95Å; N38-R41 WeakPolarHBondContact OD1-CB 3.19Å; N38-R41 PolarHBondContact OD1-N 2.83Å; N38-I42 PolarHBondContact O-N 2.83Å; N38-I42 VanDerWaalsContact O-N 3.1Å
39E98.3Very high98.2Very high123 Ų12353.7 Ų53.758%0.57529%0.292SS*.Hα-helixtrans-62.1-41.5-179.6-175.8175.5-179.500113V37 R41 I42 N43 T73V37-E39 PolarHBondContact O-N 3.48Å; E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.21Å; E39-I42 PolarHBondContact O-N 3.44Å; E39-I42 VanDerWaalsContact O-N 3.17Å; E39-N43 WeakPolarHBondContact O-CB 3.41Å; E39-N43 PolarHBondContact O-N 2.96Å; E39-N43 PolarHBondContact O-ND2 3.29Å; E39-T73 HydrophobicContact CB-CG2 4Å; E39-T73 HydrophobicContact CG-CG2 4.08Å
40S97.5Very high98.1Very high85 Ų8550.4 Ų50.459%0.59428%0.277SS*.Hα-helixtrans-64-36.5179.865.90000111.8N38 N43 A44N38-S40 PolarHBondContact O-N 3.46Å; N38-S40 PolarHBondContact OD1-N 3.46Å; N38-S40 PolarHBondContact OD1-OG 2.86Å; S40-N43 PolarHBondContact O-N 2.99Å; S40-A44 WeakPolarHBondContact O-CB 3.39Å; S40-A44 PolarHBondContact O-N 3.28Å
41R97.5Very high97.9Very high79 Ų7952.6 Ų52.630%0.29829%0.291SS..Hα-helixtrans-64.7-44.5172.6-178.8-177.4-70.8-174.4-6.6112.1A12 D36 N38 E39 N43 A44 W45 P51A12-R41 WeakPolarHBondContact O-CD 3.35Å; D36-R41 IonicContact OD2-NH1 3.88Å; D36-R41 PolarHBondContact OD2-NH1 3.02Å; N38-R41 HydrophobicContact CB-CB 3.93Å; N38-R41 WeakPolarHBondContact O-CB 3.41Å; N38-R41 PolarHBondContact O-N 2.95Å; N38-R41 WeakPolarHBondContact OD1-CB 3.19Å; N38-R41 PolarHBondContact OD1-N 2.83Å; E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.21Å; R41-N43 VanDerWaalsContact C-N 3.34Å; R41-A44 PolarHBondContact O-N 3Å; R41-W45 PolarHBondContact O-N 2.93Å; R41-P51 HydrophobicContact CG-CB 4.3Å; R41-P51 HydrophobicContact CG-CG 4.18Å
42I98.7Very high97.5Very high4 Ų448 Ų482%0.02128%0.276CS..Hα-helixtrans-63.5-41.7176.1-69.4-63.3000111A12 D36 N38 E39 A44 W45 N46 F71 T73A12-I42 HydrophobicContact CB-CD1 3.96Å; D36-I42 HydrophobicContact CB-CD1 3.8Å; D36-I42 HydrophobicContact CB-CG1 3.92Å; N38-I42 PolarHBondContact O-N 2.83Å; N38-I42 VanDerWaalsContact O-N 3.1Å; E39-I42 PolarHBondContact O-N 3.44Å; E39-I42 VanDerWaalsContact O-N 3.17Å; I42-A44 VanDerWaalsContact C-N 3.32Å; I42-A44 PolarHBondContact O-N 3.25Å; I42-W45 PolarHBondContact O-N 3.33Å; I42-N46 PolarHBondContact O-N 3.33Å; I42-N46 PolarHBondContact O-ND2 3.45Å; I42-F71 HydrophobicContact CD1-CB 4.24Å; I42-F71 HydrophobicContact CG2-CB 4.23Å; I42-T73 HydrophobicContact CB-CG2 4.12Å; I42-T73 HydrophobicContact CG1-CG2 4.1Å; I42-T73 HydrophobicContact CG2-CG2 4.22Å
43N98.6Very high97Very high86 Ų8653 Ų5346%0.4630%0.295SS..Hα-helixtrans-61.2-41.7175.7-69.4-17.5000111.4E39 S40 R41 N46 S47E39-N43 WeakPolarHBondContact O-CB 3.41Å; E39-N43 PolarHBondContact O-N 2.96Å; E39-N43 PolarHBondContact O-ND2 3.29Å; S40-N43 PolarHBondContact O-N 2.99Å; R41-N43 VanDerWaalsContact C-N 3.34Å; N43-N46 CarbonylContact O-C 3.56Å; N43-N46 PolarHBondContact O-N 3.17Å; N43-N46 VanDerWaalsContact O-N 3.13Å; N43-S47 PolarHBondContact O-N 2.85Å; N43-S47 VanDerWaalsContact O-N 3.11Å
44A98.1Very high96.7Very high24 Ų2452.6 Ų52.620%0.19829%0.292CS..Hα-helixtrans-62-43.2174.200000112.3S40 R41 I42 N46 S47 P51S40-A44 WeakPolarHBondContact O-CB 3.39Å; S40-A44 PolarHBondContact O-N 3.28Å; R41-A44 PolarHBondContact O-N 3Å; I42-A44 VanDerWaalsContact C-N 3.32Å; I42-A44 PolarHBondContact O-N 3.25Å; A44-N46 PolarHBondContact O-N 3.4Å; A44-S47 WeakPolarHBondContact O-CB 3.38Å; A44-S47 PolarHBondContact O-N 3.38Å; A44-S47 PolarHBondContact O-OG 3.02Å; A44-P51 HydrophobicContact CB-CB 3.78Å; A44-P51 HydrophobicContact CB-CG 4.06Å
45W98.7Very high96.4Very high0 Ų055.2 Ų55.20%031%0.308CS..Hα-helixtrans-62.4-24.4173.9-81.3114.8000113.8A12 R41 I42 L50 P51 I52 L57 V61 R65 F71A12-W45 PolarHBondContact O-NE1 3.38Å; R41-W45 PolarHBondContact O-N 2.93Å; I42-W45 PolarHBondContact O-N 3.33Å; W45-L50 HydrophobicContact CE3-CD1 4.48Å; W45-L50 HydrophobicContact CE3-CD2 3.91Å; W45-L50 HydrophobicContact CZ3-CD1 4.1Å; W45-L50 HydrophobicContact CZ3-CD2 4.35Å; W45-P51 HydrophobicContact CD2-CG 3.84Å; W45-P51 HydrophobicContact CG-CG 3.82Å; W45-P51 HydrophobicContact CZ2-CG 4.2Å; W45-P51 VanDerWaalsContact NE1-CG 3.32Å; W45-I52 HydrophobicContact CH2-CD1 3.8Å; W45-I52 HydrophobicContact CH2-CG1 3.92Å; W45-I52 HydrophobicContact CZ2-CD1 3.83Å; W45-I52 HydrophobicContact CZ2-CG1 3.98Å; W45-L57 HydrophobicContact CH2-CD1 4.38Å; W45-L57 HydrophobicContact CH2-CD2 3.83Å; W45-L57 HydrophobicContact CZ3-CD1 4.31Å; W45-L57 HydrophobicContact CZ3-CD2 4.08Å; W45-L57 HydrophobicContact CZ3-CG 4.42Å; W45-V61 HydrophobicContact CE3-CG2 4.35Å; W45-V61 HydrophobicContact CZ3-CG2 3.87Å; W45-R65 WeakPolarHBondContact O-CD 3.27Å; W45-R65 PolarHBondContact O-NH1 3.12Å; W45-F71 HydrophobicContact CB-CB 4.09Å; W45-F71 HydrophobicContact CB-CD1 3.53Å; W45-F71 HydrophobicContact CB-CD2 3.93Å; W45-F71 HydrophobicContact CB-CE1 3.84Å; W45-F71 HydrophobicContact CB-CE2 4.21Å; W45-F71 HydrophobicContact CB-CG 3.58Å; W45-F71 HydrophobicContact CB-CZ 4.18Å; W45-F71 HydrophobicContact CD2-CD1 4.1Å; W45-F71 AromaticContact CD2-CE1 3.54Å; W45-F71 HydrophobicContact CD2-CE1 3.54Å; W45-F71 AromaticContact CD2-CZ 3.87Å; W45-F71 HydrophobicContact CD2-CZ 3.87Å; W45-F71 AromaticContact CE3-CE1 3.68Å; W45-F71 HydrophobicContact CE3-CE1 3.68Å; W45-F71 HydrophobicContact CE3-CE2 4.23Å; W45-F71 AromaticContact CE3-CZ 3.49Å; W45-F71 HydrophobicContact CE3-CZ 3.49Å; W45-F71 VanDerWaalsContact CE3-CZ 3.49Å; W45-F71 AromaticContact CG-CD1 3.65Å; W45-F71 HydrophobicContact CG-CD1 3.65Å; W45-F71 AromaticContact CG-CE1 3.63Å; W45-F71 HydrophobicContact CG-CE1 3.63Å; W45-F71 HydrophobicContact CG-CG 4.22Å; W45-F71 HydrophobicContact CG-CZ 4.19Å; W45-F71 HydrophobicContact CZ3-CE1 4.41Å; W45-F71 HydrophobicContact CZ3-CZ 4.14Å
46N98.6Very high96.3Very high71 Ų7156.7 Ų56.738%0.3832%0.324SS..THydrogen-bonded Turntrans-90-2.1173.5-75.4-41.4000113.6I42 N43 A44 R65 F71I42-N46 PolarHBondContact O-N 3.33Å; I42-N46 PolarHBondContact O-ND2 3.45Å; N43-N46 CarbonylContact O-C 3.56Å; N43-N46 PolarHBondContact O-N 3.17Å; N43-N46 VanDerWaalsContact O-N 3.13Å; A44-N46 PolarHBondContact O-N 3.4Å; N46-R65 VanDerWaalsContact C-NH1 3.27Å; N46-F71 PolarHBondContact ND2-O 2.91Å; N46-F71 VanDerWaalsContact ND2-O 3.15Å
47S98.1Very high96.2Very high34 Ų3456 Ų5624%0.23832%0.32CS..SBendtrans-100.2173.1-178.588.40000113N43 A44 T49 R65N43-S47 PolarHBondContact O-N 2.85Å; N43-S47 VanDerWaalsContact O-N 3.11Å; A44-S47 WeakPolarHBondContact O-CB 3.38Å; A44-S47 PolarHBondContact O-N 3.38Å; A44-S47 PolarHBondContact O-OG 3.02Å; S47-T49 PolarHBondContact O-N 3.45Å; S47-T49 PolarHBondContact OG-N 3.28Å; S47-T49 PolarHBondContact OG-O 2.89Å; S47-R65 PolarHBondContact O-NH1 3.08Å; S47-R65 PolarHBondContact O-NH2 2.91Å
48P97Very high96.2Very high85 Ų8554.6 Ų54.655%0.55230%0.304SS*.SBendtrans-69.2-12.7169.6-20.434.2000114.8K58P48-K58 WeakPolarHBondContact O-CE 3.38Å; P48-K58 PolarHBondContact O-NZ 2.9Å
49T95.3Very high96.2Very high110 Ų11057.5 Ų57.568%0.67532%0.316SS*.SBendtrans-117.198.9-179.3-55.40000109.1S47S47-T49 PolarHBondContact O-N 3.45Å; S47-T49 PolarHBondContact OG-N 3.28Å; S47-T49 PolarHBondContact OG-O 2.89Å
50L96.6Very high96.2Very high27 Ų2751.9 Ų51.914%0.14129%0.29CS..  trans-65.4151.9-178.3-60-173.7000111.7W45 I52 L57 K58 V61W45-L50 HydrophobicContact CE3-CD1 4.48Å; W45-L50 HydrophobicContact CE3-CD2 3.91Å; W45-L50 HydrophobicContact CZ3-CD1 4.1Å; W45-L50 HydrophobicContact CZ3-CD2 4.35Å; L50-I52 PolarHBondContact O-N 3.28Å; L50-L57 HydrophobicContact CD1-CD2 3.96Å; L50-L57 HydrophobicContact CD1-CG 3.78Å; L50-K58 HydrophobicContact CD1-CB 4.23Å; L50-V61 HydrophobicContact CD1-CB 4.34Å; L50-V61 HydrophobicContact CD1-CG2 4Å; L50-V61 HydrophobicContact CD2-CG1 4.19Å
51P93.8Very high96.3Very high49 Ų4947.9 Ų47.932%0.31826%0.262SS..SBendtrans-73.2-9.6-178.328.5-33.4000113.8R41 A44 W45R41-P51 HydrophobicContact CG-CB 4.3Å; R41-P51 HydrophobicContact CG-CG 4.18Å; A44-P51 HydrophobicContact CB-CB 3.78Å; A44-P51 HydrophobicContact CB-CG 4.06Å; W45-P51 HydrophobicContact CD2-CG 3.84Å; W45-P51 HydrophobicContact CG-CG 3.82Å; W45-P51 HydrophobicContact CZ2-CG 4.2Å; W45-P51 VanDerWaalsContact NE1-CG 3.32Å
52I91.5Very high96.3Very high18 Ų1848.6 Ų48.69%0.09227%0.269CS..SBendtrans-132.4145.5176.263.2175.1000109.5Y14 P18 W45 L50 L57Y14-I52 HydrophobicContact CD1-CB 4.26Å; Y14-I52 HydrophobicContact CD1-CD1 4.11Å; Y14-I52 HydrophobicContact CD1-CG2 4.09Å; Y14-I52 HydrophobicContact CD2-CG2 4.16Å; Y14-I52 HydrophobicContact CE1-CB 3.87Å; Y14-I52 HydrophobicContact CE1-CG2 3.77Å; Y14-I52 HydrophobicContact CE2-CG2 3.82Å; Y14-I52 HydrophobicContact CG-CD1 4.5Å; Y14-I52 HydrophobicContact CG-CG2 4.28Å; P18-I52 HydrophobicContact CG-CD1 3.76Å; W45-I52 HydrophobicContact CH2-CD1 3.8Å; W45-I52 HydrophobicContact CH2-CG1 3.92Å; W45-I52 HydrophobicContact CZ2-CD1 3.83Å; W45-I52 HydrophobicContact CZ2-CG1 3.98Å; L50-I52 PolarHBondContact O-N 3.28Å; I52-L57 HydrophobicContact CD1-CD2 3.81Å; I52-L57 HydrophobicContact CG1-CD2 3.64Å
53Y89.1Confident96.3Very high105 Ų10549.9 Ų49.941%0.41228%0.278SS..  trans-96.3120.2172.7176.6-100.3000109.7
54E91.9Very high96.3Very high10 Ų1046 Ų465%0.04726%0.258CS..  trans-143.8131172.3-84.8-64.9158.200108.7G56 L57 E165 G166 T167 A168E54-G56 PolarHBondContact O-N 3.37Å; E54-L57 HydrophobicContact CB-CB 3.67Å; E54-L57 HydrophobicContact CB-CD2 3.92Å; E54-L57 HydrophobicContact CB-CG 4.43Å; E54-L57 HydrophobicContact CG-CD2 4.44Å; E54-L57 WeakPolarHBondContact O-CB 3.29Å; E54-L57 PolarHBondContact O-N 3.43Å; E54-L57 VanDerWaalsContact O-N 3.15Å; E54-E165 WeakPolarHBondContact OE1-CA 3.42Å; E54-G166 VanDerWaalsContact CD-N 3.3Å; E54-G166 PolarHBondContact OE1-N 2.66Å; E54-G166 WeakPolarHBondContact OE2-CA 3.28Å; E54-G166 PolarHBondContact OE2-N 3.27Å; E54-G166 VanDerWaalsContact OE2-N 3.09Å; E54-T167 PolarHBondContact OE2-N 3.13Å; E54-A168 HydrophobicContact CG-CB 4.06Å; E54-A168 WeakPolarHBondContact OE2-CB 3.41Å; E54-A168 PolarHBondContact OE2-N 2.95Å
55P92.4Very high96.3Very high54 Ų5447.8 Ų47.835%0.35126%0.26SS..THydrogen-bonded Turntrans-56.6123.1176.5-26.836.1000112.3L57 I169P55-L57 VanDerWaalsContact C-N 3.33Å; P55-L57 PolarHBondContact O-N 2.91Å; P55-I169 WeakPolarHBondContact O-CG1 3.48Å
56G96.4Very high96.3Very high32 Ų3250.5 Ų50.533%0.3329%0.287SS..THydrogen-bonded Turntrans84.1-4.5178.500000115.6E54 E59 V60E54-G56 PolarHBondContact O-N 3.37Å; G56-E59 WeakPolarHBondContact CA-OE2 3.27Å; G56-V60 WeakPolarHBondContact O-CG2 3.26Å; G56-V60 PolarHBondContact O-N 3.31Å
57L97.1Very high96.3Very high1 Ų154.5 Ų54.51%0.00530%0.301CS..Hα-helixtrans-71.3-41.9-175.7172.665.6000111.6P18 W45 L50 I52 E54 P55 E59 V60 V61 I169P18-L57 HydrophobicContact CB-CD1 4.21Å; P18-L57 HydrophobicContact CG-CD1 4.19Å; P18-L57 HydrophobicContact CG-CD2 4.33Å; W45-L57 HydrophobicContact CH2-CD1 4.38Å; W45-L57 HydrophobicContact CH2-CD2 3.83Å; W45-L57 HydrophobicContact CZ3-CD1 4.31Å; W45-L57 HydrophobicContact CZ3-CD2 4.08Å; W45-L57 HydrophobicContact CZ3-CG 4.42Å; L50-L57 HydrophobicContact CD1-CD2 3.96Å; L50-L57 HydrophobicContact CD1-CG 3.78Å; I52-L57 HydrophobicContact CD1-CD2 3.81Å; I52-L57 HydrophobicContact CG1-CD2 3.64Å; E54-L57 HydrophobicContact CB-CB 3.67Å; E54-L57 HydrophobicContact CB-CD2 3.92Å; E54-L57 HydrophobicContact CB-CG 4.43Å; E54-L57 HydrophobicContact CG-CD2 4.44Å; E54-L57 WeakPolarHBondContact O-CB 3.29Å; E54-L57 PolarHBondContact O-N 3.43Å; E54-L57 VanDerWaalsContact O-N 3.15Å; P55-L57 VanDerWaalsContact C-N 3.33Å; P55-L57 PolarHBondContact O-N 2.91Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.3Å; L57-V60 PolarHBondContact O-N 3.01Å; L57-V61 HydrophobicContact CD1-CG2 3.85Å; L57-V61 HydrophobicContact CG-CG2 4.21Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; L57-I169 HydrophobicContact CB-CD1 4.03Å; L57-I169 HydrophobicContact CB-CG1 4.03Å; L57-I169 HydrophobicContact CD1-CD1 3.81Å
58K97.8Very high96.4Very high89 Ų8953.7 Ų53.739%0.38729%0.294SS..Hα-helixtrans-58.3-46.2-178.4-178.9171.5175.5165.70111.3P48 L50 V60 V61 E62P48-K58 WeakPolarHBondContact O-CE 3.38Å; P48-K58 PolarHBondContact O-NZ 2.9Å; L50-K58 HydrophobicContact CD1-CB 4.23Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.21Å; K58-V61 PolarHBondContact O-N 2.9Å; K58-E62 WeakPolarHBondContact CE-OE1 3.27Å; K58-E62 HydrophobicContact CG-CG 4.35Å; K58-E62 IonicContact NZ-OE1 3.13Å; K58-E62 WeakPolarHBondContact O-CB 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.24Å; K58-E62 PolarHBondContact O-N 3.2Å
59E98.1Very high96.4Very high121 Ų12149.6 Ų49.657%0.56527%0.268SS*.Hα-helixtrans-63.5-39.9180-60.874.3-16600111.4G56 L57 S63G56-E59 WeakPolarHBondContact CA-OE2 3.27Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.3Å; E59-S63 WeakPolarHBondContact O-CB 3.19Å; E59-S63 PolarHBondContact O-N 2.77Å
60V98.4Very high96.6Very high6 Ų647.1 Ų47.14%0.03625%0.248CC..Hα-helixtrans-64.4-51.6175.41730000110.2S21 V22 R25 G56 L57 K58 E62 S63 C64 I169S21-V60 WeakPolarHBondContact O-CG1 3.49Å; V22-V60 HydrophobicContact CG2-CG1 4.44Å; R25-V60 HydrophobicContact CB-CG1 4.05Å; R25-V60 HydrophobicContact CG-CG1 4.45Å; G56-V60 WeakPolarHBondContact O-CG2 3.26Å; G56-V60 PolarHBondContact O-N 3.31Å; L57-V60 PolarHBondContact O-N 3.01Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.21Å; V60-E62 PolarHBondContact O-N 3.37Å; V60-S63 PolarHBondContact O-N 3.18Å; V60-S63 PolarHBondContact O-OG 3.43Å; V60-C64 PolarHBondContact O-SG 3.35Å; V60-I169 HydrophobicContact CG2-CG2 4.11Å
61V98.7Very high96.7Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-59.4-49.8-178.4172.90000111.2W45 L50 L57 K58 S63 C64 R65 L69 F71W45-V61 HydrophobicContact CE3-CG2 4.35Å; W45-V61 HydrophobicContact CZ3-CG2 3.87Å; L50-V61 HydrophobicContact CD1-CB 4.34Å; L50-V61 HydrophobicContact CD1-CG2 4Å; L50-V61 HydrophobicContact CD2-CG1 4.19Å; L57-V61 HydrophobicContact CD1-CG2 3.85Å; L57-V61 HydrophobicContact CG-CG2 4.21Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; K58-V61 PolarHBondContact O-N 2.9Å; V61-S63 PolarHBondContact O-N 3.4Å; V61-C64 PolarHBondContact O-N 3.24Å; V61-R65 HydrophobicContact CG1-CB 4.19Å; V61-R65 WeakPolarHBondContact O-CB 3.4Å; V61-R65 PolarHBondContact O-N 2.91Å; V61-L69 HydrophobicContact CG1-CD2 4.4Å; V61-F71 HydrophobicContact CG1-CE2 4.15Å
62E98.5Very high97Very high95 Ų9545.8 Ų45.844%0.44424%0.24SC..Hα-helixtrans-62-28.6-178.9-72.3178.1167.100112.7K58 V60 C64K58-E62 WeakPolarHBondContact CE-OE1 3.27Å; K58-E62 HydrophobicContact CG-CG 4.35Å; K58-E62 IonicContact NZ-OE1 3.13Å; K58-E62 WeakPolarHBondContact O-CB 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.24Å; K58-E62 PolarHBondContact O-N 3.2Å; V60-E62 PolarHBondContact O-N 3.37Å; E62-C64 PolarHBondContact O-N 3.03Å
63S98.3Very high97.3Very high31 Ų3148.1 Ų48.122%0.21726%0.256CS..Hα-helixtrans-71.3-26.8-179.377.10000114.3R25 E59 V60 V61 K67R25-S63 WeakPolarHBondContact CD-OG 3.32Å; E59-S63 WeakPolarHBondContact O-CB 3.19Å; E59-S63 PolarHBondContact O-N 2.77Å; V60-S63 PolarHBondContact O-N 3.18Å; V60-S63 PolarHBondContact O-OG 3.43Å; V61-S63 PolarHBondContact O-N 3.4Å; S63-K67 PolarHBondContact O-NZ 3.23Å
64C98.2Very high97.8Very high4 Ų446.5 Ų46.53%0.02725%0.254CS..Hα-helixtrans-123-18.9-17357.20000114.7A24 V60 V61 E62 G66 K67 N68 L69A24-C64 HydrophobicContact CB-CB 4.3Å; V60-C64 PolarHBondContact O-SG 3.35Å; V61-C64 PolarHBondContact O-N 3.24Å; E62-C64 PolarHBondContact O-N 3.03Å; C64-G66 PolarHBondContact O-N 2.81Å; C64-K67 WeakPolarHBondContact O-CB 3.23Å; C64-K67 PolarHBondContact O-N 2.78Å; C64-N68 PolarHBondContact O-N 3.24Å; C64-L69 HydrophobicContact CB-CB 4.12Å; C64-L69 PolarHBondContact O-N 2.96Å; C64-L69 VanDerWaalsContact O-N 3.12Å; C64-L69 WeakPolarHBondContact SG-CD2 3.26Å
65R98.7Very high98.1Very high62 Ų6246.2 Ų46.223%0.23425%0.253CS..BIsolated β-bridgetrans-59.4129.7178.3-172.9174.568.4-165.70.6110.7W45 N46 S47 V61 K67 L69 F71W45-R65 WeakPolarHBondContact O-CD 3.27Å; W45-R65 PolarHBondContact O-NH1 3.12Å; N46-R65 VanDerWaalsContact C-NH1 3.27Å; S47-R65 PolarHBondContact O-NH1 3.08Å; S47-R65 PolarHBondContact O-NH2 2.91Å; V61-R65 HydrophobicContact CG1-CB 4.19Å; V61-R65 WeakPolarHBondContact O-CB 3.4Å; V61-R65 PolarHBondContact O-N 2.91Å; R65-K67 PolarHBondContact O-N 2.74Å; R65-L69 CarbonylContact C-O 3.55Å; R65-L69 WeakPolarHBondContact CA-O 3.43Å; R65-F71 HydrophobicContact CG-CD2 4.45Å
66G98.3Very high98.4Very high56 Ų5646 Ų4658%0.57725%0.249SC*.THydrogen-bonded Turntrans79-4.5-176.600000114.8C64 L69C64-G66 PolarHBondContact O-N 2.81Å; G66-L69 PolarHBondContact N-O 3.09Å
67K98.7Very high98.5Very high156 Ų15648.2 Ų48.268%0.67825%0.253SS*.THydrogen-bonded Turntrans-99.2-67.6172.8-58.8178-173.1164.60110.2S63 C64 R65 F70S63-K67 PolarHBondContact O-NZ 3.23Å; C64-K67 WeakPolarHBondContact O-CB 3.23Å; C64-K67 PolarHBondContact O-N 2.78Å; R65-K67 PolarHBondContact O-N 2.74Å; K67-F70 WeakPolarHBondContact O-CZ 3.43Å
68N98.8Very high98.6Very high16 Ų1648.9 Ų48.99%0.08626%0.258CS..THydrogen-bonded Turntrans-132.9-6.317672.8-40.3000113.1A24 C27 P28 I30 V32 C64A24-N68 PolarHBondContact O-ND2 3.12Å; A24-N68 PolarHBondContact O-OD1 2.89Å; C27-N68 PolarHBondContact O-ND2 3.33Å; C27-N68 VanDerWaalsContact O-ND2 3.12Å; P28-N68 WeakPolarHBondContact CA-ND2 3.23Å; P28-N68 PolarHBondContact O-ND2 2.9Å; I30-N68 PolarHBondContact O-ND2 3.29Å; V32-N68 PolarHBondContact N-O 2.89Å; C64-N68 PolarHBondContact O-N 3.24Å
69L98.9Very high98.6Very high0 Ų044.6 Ų44.60%024%0.24CC..EExtended strand (participates in β ladder)trans-101.7130.6169178.966.4000110.7A24 V32 V34 V61 C64 R65 G66 F71A24-L69 HydrophobicContact CB-CB 3.73Å; A24-L69 HydrophobicContact CB-CD1 4.17Å; A24-L69 HydrophobicContact CB-CG 4.43Å; V32-L69 HydrophobicContact CB-CD1 4.33Å; V32-L69 HydrophobicContact CG1-CD1 4.22Å; V32-L69 CarbonylContact O-C 3.56Å; V32-L69 WeakPolarHBondContact O-CA 3.32Å; V34-L69 HydrophobicContact CG2-CD1 4.14Å; V61-L69 HydrophobicContact CG1-CD2 4.4Å; C64-L69 HydrophobicContact CB-CB 4.12Å; C64-L69 PolarHBondContact O-N 2.96Å; C64-L69 VanDerWaalsContact O-N 3.12Å; C64-L69 WeakPolarHBondContact SG-CD2 3.26Å; R65-L69 CarbonylContact C-O 3.55Å; R65-L69 WeakPolarHBondContact CA-O 3.43Å; G66-L69 PolarHBondContact N-O 3.09Å; L69-F71 HydrophobicContact CD1-CE2 4.37Å; L69-F71 HydrophobicContact CD1-CZ 4.27Å; L69-F71 HydrophobicContact CD2-CE2 3.7Å; L69-F71 HydrophobicContact CD2-CZ 3.89Å; L69-F71 HydrophobicContact CG-CE2 3.85Å; L69-F71 HydrophobicContact CG-CZ 4.18Å
70F98.9Very high98.6Very high57 Ų5745.4 Ų45.425%0.2524%0.241CC..EExtended strand (participates in β ladder)trans-135.4144.7179.6-57.1-85.8000111.2R31 V32 T33 V34 K67R31-F70 HydrophobicContact CG-CD2 4.1Å; R31-F70 HydrophobicContact CG-CE2 3.96Å; V32-F70 PolarHBondContact O-N 3.15Å; T33-F70 CarbonylContact C-O 3.59Å; T33-F70 WeakPolarHBondContact CA-O 3.38Å; T33-F70 HydrophobicContact CG2-CB 4.24Å; V34-F70 PolarHBondContact N-O 3.4Å; K67-F70 WeakPolarHBondContact O-CZ 3.43Å
71F98.9Very high98.6Very high12 Ų1249.6 Ų49.65%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-119.2127.8172.2-61.3-89.8000109.4V34 I42 W45 N46 V61 R65 L69V34-F71 HydrophobicContact CB-CD1 3.66Å; V34-F71 HydrophobicContact CB-CE1 3.82Å; V34-F71 HydrophobicContact CG1-CD1 4.11Å; V34-F71 HydrophobicContact CG1-CE1 4.15Å; V34-F71 HydrophobicContact CG2-CD1 4.25Å; V34-F71 HydrophobicContact CG2-CE1 3.94Å; V34-F71 VanDerWaalsContact O-CA 3.31Å; V34-F71 WeakPolarHBondContact O-CA 3.37Å; I42-F71 HydrophobicContact CD1-CB 4.24Å; I42-F71 HydrophobicContact CG2-CB 4.23Å; W45-F71 HydrophobicContact CB-CB 4.09Å; W45-F71 HydrophobicContact CB-CD1 3.53Å; W45-F71 HydrophobicContact CB-CD2 3.93Å; W45-F71 HydrophobicContact CB-CE1 3.84Å; W45-F71 HydrophobicContact CB-CE2 4.21Å; W45-F71 HydrophobicContact CB-CG 3.58Å; W45-F71 HydrophobicContact CB-CZ 4.18Å; W45-F71 HydrophobicContact CD2-CD1 4.1Å; W45-F71 AromaticContact CD2-CE1 3.54Å; W45-F71 HydrophobicContact CD2-CE1 3.54Å; W45-F71 AromaticContact CD2-CZ 3.87Å; W45-F71 HydrophobicContact CD2-CZ 3.87Å; W45-F71 AromaticContact CE3-CE1 3.68Å; W45-F71 HydrophobicContact CE3-CE1 3.68Å; W45-F71 HydrophobicContact CE3-CE2 4.23Å; W45-F71 AromaticContact CE3-CZ 3.49Å; W45-F71 HydrophobicContact CE3-CZ 3.49Å; W45-F71 VanDerWaalsContact CE3-CZ 3.49Å; W45-F71 AromaticContact CG-CD1 3.65Å; W45-F71 HydrophobicContact CG-CD1 3.65Å; W45-F71 AromaticContact CG-CE1 3.63Å; W45-F71 HydrophobicContact CG-CE1 3.63Å; W45-F71 HydrophobicContact CG-CG 4.22Å; W45-F71 HydrophobicContact CG-CZ 4.19Å; W45-F71 HydrophobicContact CZ3-CE1 4.41Å; W45-F71 HydrophobicContact CZ3-CZ 4.14Å; N46-F71 PolarHBondContact ND2-O 2.91Å; N46-F71 VanDerWaalsContact ND2-O 3.15Å; V61-F71 HydrophobicContact CG1-CE2 4.15Å; R65-F71 HydrophobicContact CG-CD2 4.45Å; L69-F71 HydrophobicContact CD1-CE2 4.37Å; L69-F71 HydrophobicContact CD1-CZ 4.27Å; L69-F71 HydrophobicContact CD2-CE2 3.7Å; L69-F71 HydrophobicContact CD2-CZ 3.89Å; L69-F71 HydrophobicContact CG-CE2 3.85Å; L69-F71 HydrophobicContact CG-CZ 4.18Å
72S98.8Very high98.7Very high37 Ų3749.8 Ų49.826%0.25926%0.262SS..EExtended strand (participates in β ladder)trans-146.5152.4-172.8-177.60000112.5V34 V35 D36 N74V34-S72 PolarHBondContact O-N 3.24Å; V35-S72 WeakPolarHBondContact CA-O 3.37Å; V35-S72 WeakPolarHBondContact CB-O 3.34Å; D36-S72 PolarHBondContact N-O 3.38Å; S72-N74 WeakPolarHBondContact OG-CB 3.27Å; S72-N74 PolarHBondContact OG-N 2.78Å
73T98.6Very high98.7Very high67 Ų6747 Ų4741%0.41125%0.25SS..SBendtrans-88.9-10.3167.6520000112.4E39 I42 I75E39-T73 HydrophobicContact CB-CG2 4Å; E39-T73 HydrophobicContact CG-CG2 4.08Å; I42-T73 HydrophobicContact CB-CG2 4.12Å; I42-T73 HydrophobicContact CG1-CG2 4.1Å; I42-T73 HydrophobicContact CG2-CG2 4.22Å; T73-I75 VanDerWaalsContact C-N 3.32Å; T73-I75 PolarHBondContact O-N 3.39Å
74N98.5Very high98.7Very high70 Ų7045.6 Ų45.637%0.37424%0.24SC..  trans-80.279.9178.3-170-11000111.1S72 D77S72-N74 WeakPolarHBondContact OG-CB 3.27Å; S72-N74 PolarHBondContact OG-N 2.78Å; N74-D77 PolarHBondContact ND2-OD2 2.98Å; N74-D77 PolarHBondContact OD1-N 2.87Å
75I98.7Very high98.7Very high5 Ų545.4 Ų45.43%0.02624%0.239CC..Hα-helixtrans-66.4-41.6-177.3-65.6159.4000111.5V35 V37 T73 A78 I79 R115V35-I75 HydrophobicContact CB-CB 4.47Å; V35-I75 HydrophobicContact CB-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CB 4.2Å; V35-I75 HydrophobicContact CG2-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CG2 4.17Å; V37-I75 HydrophobicContact CG1-CD1 3.55Å; T73-I75 VanDerWaalsContact C-N 3.32Å; T73-I75 PolarHBondContact O-N 3.39Å; I75-A78 PolarHBondContact O-N 3.38Å; I75-I79 HydrophobicContact CG2-CD1 3.66Å; I75-I79 HydrophobicContact CG2-CG1 4.33Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.33Å; I75-I79 PolarHBondContact O-N 3.03Å; I75-R115 VanDerWaalsContact CD1-NH1 3.31Å
76D98.8Very high98.7Very high49 Ų4942.5 Ų42.526%0.26223%0.228SC..Hα-helixtrans-68.7-43.9-170.1-65.3-41.1000112.1I79 K80 R115 N119D76-I79 PolarHBondContact O-N 3.01Å; D76-K80 WeakPolarHBondContact O-CB 3.46Å; D76-K80 PolarHBondContact O-N 3.07Å; D76-R115 VanDerWaalsContact CG-NH2 3.29Å; D76-R115 IonicContact OD1-CZ 3.93Å; D76-R115 IonicContact OD1-NE 2.73Å; D76-R115 PolarHBondContact OD1-NE 3.13Å; D76-R115 IonicContact OD1-NH2 3.31Å; D76-R115 PolarHBondContact OD1-NH2 2.85Å; D76-R115 IonicContact OD2-CZ 3.12Å; D76-R115 IonicContact OD2-NE 3.81Å; D76-R115 IonicContact OD2-NH2 3.44Å; D76-R115 PolarHBondContact OD2-NH2 2.79Å; D76-N119 PolarHBondContact OD1-ND2 3.17Å
77D98.6Very high98.7Very high79 Ų7939.8 Ų39.842%0.42220%0.2SC..Hα-helixtrans-67.7-38.1177-73.5-26.9000111.8N74 I79 K80 E81N74-D77 PolarHBondContact ND2-OD2 2.98Å; N74-D77 PolarHBondContact OD1-N 2.87Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 2.87Å; D77-K80 PolarHBondContact O-N 3.43Å; D77-E81 PolarHBondContact O-N 2.91Å
78A98.8Very high98.6Very high14 Ų1432.9 Ų32.912%0.11617%0.171CC..Hα-helixtrans-62-42175.800000111.8C8 T33 V35 I75 A82C8-A78 HydrophobicContact CB-CB 4.29Å; C8-A78 WeakPolarHBondContact CB-O 3.48Å; T33-A78 HydrophobicContact CG2-CB 4.08Å; V35-A78 HydrophobicContact CG1-CB 3.66Å; I75-A78 PolarHBondContact O-N 3.38Å; A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.4Å; A78-A82 PolarHBondContact O-N 3.42Å
79I98.8Very high98.3Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-61.7-48.2173.3-70.7167.8000110.4I10 I75 D76 D77 E81 A82 R115 I116 N119 K124I10-I79 HydrophobicContact CD1-CD1 3.87Å; I10-I79 HydrophobicContact CD1-CG1 4.13Å; I75-I79 HydrophobicContact CG2-CD1 3.66Å; I75-I79 HydrophobicContact CG2-CG1 4.33Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.33Å; I75-I79 PolarHBondContact O-N 3.03Å; D76-I79 PolarHBondContact O-N 3.01Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 2.87Å; I79-E81 VanDerWaalsContact C-N 3.29Å; I79-E81 PolarHBondContact O-N 3.37Å; I79-A82 PolarHBondContact O-N 3.26Å; I79-R115 HydrophobicContact CD1-CG 4.15Å; I79-I116 HydrophobicContact CD1-CG1 4.05Å; I79-I116 HydrophobicContact CG1-CG1 4.37Å; I79-I116 HydrophobicContact CG2-CG1 4.4Å; I79-N119 HydrophobicContact CB-CB 4.3Å; I79-N119 HydrophobicContact CG2-CB 3.83Å; I79-K124 WeakPolarHBondContact O-CE 3.14Å; I79-K124 PolarHBondContact O-NZ 3.31Å
80K98.7Very high97.8Very high137 Ų13737.9 Ų37.960%0.59620%0.199SC*.Hα-helixtrans-58.3-41.3-175-175.2179.2177.8-176.90112D76 D77 K124D76-K80 WeakPolarHBondContact O-CB 3.46Å; D76-K80 PolarHBondContact O-N 3.07Å; D77-K80 PolarHBondContact O-N 3.43Å; K80-K124 PolarHBondContact O-NZ 2.94Å
81E98.4Very high97.3Very high95 Ų9535.3 Ų35.344%0.44419%0.188SC..Hα-helixtrans-82-22.1-178.4-68.5-169.6-159.100115.1K6 D77 I79K6-E81 HydrophobicContact CD-CB 4.07Å; K6-E81 VanDerWaalsContact CD-O 3.28Å; K6-E81 WeakPolarHBondContact CD-O 3.23Å; K6-E81 IonicContact NZ-OE2 3.01Å; K6-E81 PolarHBondContact NZ-OE2 3.4Å; D77-E81 PolarHBondContact O-N 2.91Å; I79-E81 VanDerWaalsContact C-N 3.29Å; I79-E81 PolarHBondContact O-N 3.37Å
82A98.8Very high96.8Very high3 Ų337.1 Ų37.13%0.02520%0.201CC..  trans-72.9144-168.900000114.4C8 A78 I79 V85 K124C8-A82 HydrophobicContact CB-CB 3.59Å; A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.4Å; A78-A82 PolarHBondContact O-N 3.42Å; I79-A82 PolarHBondContact O-N 3.26Å; A82-V85 HydrophobicContact CB-CG2 3.9Å; A82-K124 PolarHBondContact O-NZ 3.41Å
83D98.8Very high96.4Very high38 Ų3837.5 Ų37.520%0.20320%0.202CC..SBendtrans-82.3-37.3166.7-58.7-47.3000110.5F2 I4 K5 K6 K124 I125F2-D83 HydrophobicContact CE1-CB 4.26Å; F2-D83 HydrophobicContact CZ-CB 3.8Å; I4-D83 HydrophobicContact CG2-CB 4.26Å; K5-D83 WeakPolarHBondContact CA-OD2 3.46Å; K5-D83 PolarHBondContact N-OD2 3.38Å; K6-D83 PolarHBondContact N-OD2 3.35Å; K6-D83 PolarHBondContact O-N 3.05Å; D83-K124 WeakPolarHBondContact O-CA 3.36Å; D83-I125 PolarHBondContact O-N 3.02Å
84L98.9Very high96.1Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-125.2129.7179.1173.871.8000110.2I4 K6 I7 C8 F86 I125 T127 L195I4-L84 HydrophobicContact CD1-CB 4.09Å; I4-L84 HydrophobicContact CD1-CD2 4.12Å; I4-L84 HydrophobicContact CG1-CB 4.34Å; I4-L84 HydrophobicContact CG2-CB 3.88Å; K6-L84 PolarHBondContact O-N 3.17Å; I7-L84 WeakPolarHBondContact CA-O 3.45Å; I7-L84 HydrophobicContact CD1-CD2 4.03Å; I7-L84 HydrophobicContact CG1-CB 4.24Å; I7-L84 HydrophobicContact CG1-CD2 4.05Å; I7-L84 HydrophobicContact CG2-CD2 4.37Å; C8-L84 PolarHBondContact N-O 2.95Å; L84-F86 HydrophobicContact CD2-CD2 4.18Å; L84-F86 HydrophobicContact CD2-CE2 3.57Å; L84-F86 HydrophobicContact CD2-CZ 3.82Å; L84-F86 HydrophobicContact CG-CE2 4.39Å; L84-I125 CarbonylContact C-O 3.58Å; L84-I125 VanDerWaalsContact CA-O 3.3Å; L84-I125 WeakPolarHBondContact CA-O 3.34Å; L84-I125 HydrophobicContact CD1-CB 3.72Å; L84-I125 HydrophobicContact CD1-CG2 3.53Å; L84-T127 VanDerWaalsContact CD1-OG1 3.28Å; L84-T127 WeakPolarHBondContact CD1-OG1 2.89Å; L84-L195 HydrophobicContact CD2-CD1 3.84Å
85V98.9Very high95.8Very high0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-116.7112.1174.5-173.20000110.1C8 I10 A82 I116 I125 V126 T127C8-V85 HydrophobicContact CB-CG1 4.42Å; C8-V85 HydrophobicContact CB-CG2 4.34Å; C8-V85 CarbonylContact O-C 3.42Å; C8-V85 VanDerWaalsContact O-CA 3.28Å; C8-V85 WeakPolarHBondContact O-CA 3.24Å; I10-V85 HydrophobicContact CD1-CG1 3.96Å; I10-V85 HydrophobicContact CG1-CG1 4.16Å; A82-V85 HydrophobicContact CB-CG2 3.9Å; V85-I116 HydrophobicContact CB-CD1 4.4Å; V85-I116 HydrophobicContact CG1-CD1 3.74Å; V85-I116 HydrophobicContact CG1-CG1 4.12Å; V85-I125 PolarHBondContact N-O 2.79Å; V85-V126 CarbonylContact O-C 3.42Å; V85-V126 WeakPolarHBondContact O-CA 3.42Å; V85-T127 PolarHBondContact O-N 2.94Å
86F98.8Very high95.4Very high1 Ų145.5 Ų45.50%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-78.5138.1167.2-76.3-70.3000111.3I7 C8 C9 I10 I23 L84 T127 K129 L195I7-F86 HydrophobicContact CG2-CD2 3.72Å; I7-F86 HydrophobicContact CG2-CE2 3.97Å; C8-F86 PolarHBondContact O-N 3.29Å; C9-F86 HydrophobicContact CB-CB 4.01Å; I10-F86 PolarHBondContact N-O 2.84Å; I23-F86 HydrophobicContact CD1-CE2 3.89Å; I23-F86 HydrophobicContact CD1-CZ 4.32Å; L84-F86 HydrophobicContact CD2-CD2 4.18Å; L84-F86 HydrophobicContact CD2-CE2 3.57Å; L84-F86 HydrophobicContact CD2-CZ 3.82Å; L84-F86 HydrophobicContact CG-CE2 4.39Å; F86-T127 CarbonylContact C-O 3.5Å; F86-T127 VanDerWaalsContact CA-O 3.29Å; F86-T127 WeakPolarHBondContact CA-O 3.47Å; F86-T127 HydrophobicContact CD1-CG2 3.79Å; F86-T127 HydrophobicContact CE1-CG2 3.55Å; F86-K129 HydrophobicContact CD1-CB 3.96Å; F86-K129 HydrophobicContact CD1-CD 4.18Å; F86-K129 HydrophobicContact CE1-CB 4.46Å; F86-K129 HydrophobicContact CE1-CD 4.24Å; F86-L195 HydrophobicContact CZ-CD1 4.05Å
87I97.9Very high95.3Very high0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-107.6110.5166.3-56.4177.8000107.6V89 I109 C112 I116 V126 T127 K129 I140I87-V89 HydrophobicContact CG2-CG2 3.9Å; I87-I109 HydrophobicContact CG2-CD1 3.63Å; I87-C112 HydrophobicContact CD1-CB 4.12Å; I87-C112 HydrophobicContact CG1-CB 4.33Å; I87-C112 HydrophobicContact CG2-CB 4.02Å; I87-I116 HydrophobicContact CD1-CD1 3.74Å; I87-I116 HydrophobicContact CG1-CD1 3.9Å; I87-V126 HydrophobicContact CD1-CG1 3.77Å; I87-V126 HydrophobicContact CG1-CG1 4.14Å; I87-T127 PolarHBondContact N-O 3.48Å; I87-K129 PolarHBondContact O-N 3.17Å; I87-I140 HydrophobicContact CD1-CD1 3.93Å; I87-I140 HydrophobicContact CD1-CG1 4.4Å
88S95.9Very high95.1Very high10 Ų1049.5 Ų49.57%0.0726%0.264CS..  trans-130.243.5-176.2-59.60000111.2I10I10-S88 CarbonylContact O-C 3.59Å; I10-S88 WeakPolarHBondContact O-CA 3.24Å; I10-S88 PolarHBondContact O-N 3.08Å
89V92.9Very high94.8Very high22 Ų2249.3 Ų49.313%0.13326%0.264CS..  trans-92.1161.3177.4-60.40000112I10 I87 I109 S130I10-V89 HydrophobicContact CG2-CG1 4.13Å; I87-V89 HydrophobicContact CG2-CG2 3.9Å; V89-I109 HydrophobicContact CG2-CD1 3.72Å; V89-I109 HydrophobicContact CG2-CG1 4.37Å; V89-S130 PolarHBondContact O-OG 2.9Å
90N87.8Confident94.6Very high100 Ų10056 Ų5654%0.53529%0.293SS..  trans-64.3142.2179.2-36.1-22.8000110.1P92 Y108N90-P92 WeakPolarHBondContact O-CD 3.39Å; N90-Y108 WeakPolarHBondContact O-CD2 3.48Å
91T88.6Confident94.3Very high3 Ų351.5 Ų51.52%0.01829%0.285CS..  trans-117.476.416545.60000108L106 I109T91-L106 HydrophobicContact CG2-CD2 4.15Å; T91-I109 HydrophobicContact CG2-CD1 4.18Å; T91-I109 HydrophobicContact CG2-CG1 3.7Å
92P89.3Confident94Very high49 Ų4950 Ų5032%0.31828%0.275SS..PPolyproline II helixtrans-64.6153.3-17529.5-34.7000110.3N90 K94 D105 Y108N90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-K94 PolarHBondContact O-N 2.85Å; P92-D105 HydrophobicContact CG-CB 4.2Å; P92-D105 VanDerWaalsContact O-CB 3.24Å; P92-D105 WeakPolarHBondContact O-CB 3.35Å; P92-D105 PolarHBondContact O-N 3.15Å; P92-Y108 HydrophobicContact CG-CD2 4.42Å; P92-Y108 HydrophobicContact CG-CE2 4.01Å
93T90.8Very high93.6Very high45 Ų4550.2 Ų50.228%0.27628%0.276SS..BIsolated β-bridgetrans-64.6136.2172.4-53.20000110.1T95 G101 R102 A103T93-T95 PolarHBondContact O-N 3.17Å; T93-G101 WeakPolarHBondContact CG2-O 3.33Å; T93-R102 VanDerWaalsContact CG2-N 3.25Å; T93-A103 WeakPolarHBondContact CA-O 3.45Å
94K91.4Very high93.2Very high56 Ų5649.2 Ų49.224%0.24327%0.274CS..PPolyproline II helixtrans-59.7131.9176.9-70.7-178.870.4-177.90110.6P92 Y96 M98 K100 G101 A103 D105P92-K94 PolarHBondContact O-N 2.85Å; K94-Y96 WeakPolarHBondContact CE-O 3.46Å; K94-M98 WeakPolarHBondContact CE-O 3.42Å; K94-M98 PolarHBondContact NZ-O 3.14Å; K94-K100 WeakPolarHBondContact O-CA 3.49Å; K94-G101 PolarHBondContact O-N 3.2Å; K94-A103 HydrophobicContact CD-CB 4.18Å; K94-A103 PolarHBondContact N-O 3.26Å; K94-D105 HydrophobicContact CG-CB 3.85Å
95T91.6Very high92.9Very high104 Ų10450.5 Ų50.564%0.63828%0.281SS*.SBendtrans-95.6-5.1178.155.10000113.3T93 K100T93-T95 PolarHBondContact O-N 3.17Å; T95-K100 WeakPolarHBondContact O-CD 3.39Å; T95-K100 WeakPolarHBondContact O-CE 3.49Å; T95-K100 WeakPolarHBondContact O-CG 3.48Å
96Y91.4Very high92.5Very high151 Ų15152.5 Ų52.559%0.59229%0.291SS*.SBendtrans-152166.6179.656.9-92.8000112.2K94K94-Y96 WeakPolarHBondContact CE-O 3.46Å
97G95.8Very high92.3Very high55 Ų5556.7 Ų56.757%0.56731%0.309SS*.SBendtrans70.3-163.1176.500000114.6G99 K100G97-G99 PolarHBondContact O-N 2.92Å; G97-K100 WeakPolarHBondContact O-CB 3.46Å; G97-K100 PolarHBondContact O-N 3.49Å
98M94Very high92.1Very high157 Ų15761.5 Ų61.577%0.77333%0.328SS*.THydrogen-bonded Turntrans-59129.8178.6-67-168.7-65.600111.2K94K94-M98 WeakPolarHBondContact CE-O 3.42Å; K94-M98 PolarHBondContact NZ-O 3.14Å
99G92.6Very high92Very high10 Ų1061.1 Ų61.110%0.10333%0.325CS..THydrogen-bonded Turntrans76.416.7-176.100000114.7G97 G101 R102 A103G97-G99 PolarHBondContact O-N 2.92Å; G99-G101 PolarHBondContact O-N 2.85Å; G99-R102 PolarHBondContact O-N 3.34Å; G99-A103 PolarHBondContact O-N 2.67Å
100K95.3Very high92.2Very high141 Ų14163.6 Ų63.661%0.61334%0.336SS*.THydrogen-bonded Turntrans-47.1129.9172.9175.3178.4179-1780111.1K94 T95 G97 R102K94-K100 WeakPolarHBondContact O-CA 3.49Å; T95-K100 WeakPolarHBondContact O-CD 3.39Å; T95-K100 WeakPolarHBondContact O-CE 3.49Å; T95-K100 WeakPolarHBondContact O-CG 3.48Å; G97-K100 WeakPolarHBondContact O-CB 3.46Å; G97-K100 PolarHBondContact O-N 3.49Å; K100-R102 PolarHBondContact O-N 3.2Å
101G91.5Very high92.6Very high41 Ų4161.4 Ų61.442%0.42333%0.331SS..THydrogen-bonded Turntrans76.5-0.1178.800000114.8T93 K94 G99T93-G101 WeakPolarHBondContact CG2-O 3.33Å; K94-G101 PolarHBondContact O-N 3.2Å; G99-G101 PolarHBondContact O-N 2.85Å
102R92.4Very high93.1Very high65 Ų6561.9 Ų61.925%0.24534%0.335CS..THydrogen-bonded Turntrans-136.3-51.2-173.1-55.3-174-66.3142.7-0.2114T93 G99 K100 L282 N283 E289T93-R102 VanDerWaalsContact CG2-N 3.25Å; G99-R102 PolarHBondContact O-N 3.34Å; K100-R102 PolarHBondContact O-N 3.2Å; R102-L282 HydrophobicContact CB-CB 4.26Å; R102-L282 HydrophobicContact CG-CB 4.47Å; R102-L282 HydrophobicContact CG-CD2 4.3Å; R102-N283 PolarHBondContact O-ND2 2.77Å; R102-N283 VanDerWaalsContact O-ND2 3.11Å; R102-E289 IonicContact CZ-OE1 3.27Å; R102-E289 IonicContact CZ-OE2 3.39Å; R102-E289 VanDerWaalsContact CZ-OE2 3.22Å; R102-E289 IonicContact NH1-OE1 3.73Å; R102-E289 PolarHBondContact NH1-OE1 2.84Å; R102-E289 IonicContact NH1-OE2 2.68Å; R102-E289 PolarHBondContact NH1-OE2 3Å; R102-E289 IonicContact NH2-OE1 2.81Å; R102-E289 IonicContact NH2-OE2 3.45Å; R102-E289 PolarHBondContact NH2-OE2 3.08Å
103A91.1Very high93.5Very high6 Ų659.6 Ų59.65%0.0532%0.319CS..SBendtrans-75.3141.9-17800000111.8T93 K94 G99 Y286T93-A103 WeakPolarHBondContact CA-O 3.45Å; K94-A103 HydrophobicContact CD-CB 4.18Å; K94-A103 PolarHBondContact N-O 3.26Å; G99-A103 PolarHBondContact O-N 2.67Å; A103-Y286 HydrophobicContact CB-CD1 3.6Å; A103-Y286 HydrophobicContact CB-CD2 4.44Å; A103-Y286 HydrophobicContact CB-CE1 3.59Å; A103-Y286 HydrophobicContact CB-CE2 4.42Å; A103-Y286 HydrophobicContact CB-CG 4.04Å
104A90.8Very high93.8Very high18 Ų1863 Ų6315%0.14933%0.327CS..BIsolated β-bridgetrans-6814117000000111.7V132 N283A104-V132 HydrophobicContact CB-CG1 4.22Å; A104-N283 VanDerWaalsContact CB-OD1 3.32Å; A104-N283 WeakPolarHBondContact CB-OD1 3.21Å; A104-N283 PolarHBondContact N-OD1 2.95Å
105D91.4Very high94.2Very high27 Ų2764.2 Ų64.214%0.14433%0.33CS..  trans-90.7112.2171.5-172.6-6.7000109.6P92 K94 K107P92-D105 HydrophobicContact CG-CB 4.2Å; P92-D105 VanDerWaalsContact O-CB 3.24Å; P92-D105 WeakPolarHBondContact O-CB 3.35Å; P92-D105 PolarHBondContact O-N 3.15Å; K94-D105 HydrophobicContact CG-CB 3.85Å; D105-K107 VanDerWaalsContact C-N 3.31Å; D105-K107 PolarHBondContact O-N 3.03Å; D105-K107 WeakPolarHBondContact OD1-CB 3.44Å; D105-K107 WeakPolarHBondContact OD1-CG 3.49Å; D105-K107 PolarHBondContact OD1-N 2.8Å; D105-K107 WeakPolarHBondContact OD2-CD 3.48Å; D105-K107 WeakPolarHBondContact OD2-CE 3.39Å; D105-K107 IonicContact OD2-NZ 2.69Å; D105-K107 PolarHBondContact OD2-NZ 3.42Å
106L91.8Very high94.5Very high41 Ų4159.2 Ų59.222%0.21530%0.3CS..  trans-85.54.7-178.1-60.8-176.8000113.7T91 Y108 I109 E110T91-L106 HydrophobicContact CG2-CD2 4.15Å; L106-Y108 PolarHBondContact O-N 3.05Å; L106-Y108 VanDerWaalsContact O-N 3.1Å; L106-I109 HydrophobicContact CD2-CG1 4.39Å; L106-I109 WeakPolarHBondContact O-CB 3.42Å; L106-I109 PolarHBondContact O-N 3.31Å; L106-E110 PolarHBondContact O-N 3.5Å
107K93.6Very high94.9Very high89 Ų8952.5 Ų52.539%0.38727%0.274SS..Hα-helixtrans-52.3-38-17667.9-176.5170.2-165.40114.3D105 A111D105-K107 VanDerWaalsContact C-N 3.31Å; D105-K107 PolarHBondContact O-N 3.03Å; D105-K107 WeakPolarHBondContact OD1-CB 3.44Å; D105-K107 WeakPolarHBondContact OD1-CG 3.49Å; D105-K107 PolarHBondContact OD1-N 2.8Å; D105-K107 WeakPolarHBondContact OD2-CD 3.48Å; D105-K107 WeakPolarHBondContact OD2-CE 3.39Å; D105-K107 IonicContact OD2-NZ 2.69Å; D105-K107 PolarHBondContact OD2-NZ 3.42Å; K107-A111 VanDerWaalsContact O-CB 3.3Å; K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.43Å
108Y94.3Very high95Very high102 Ų10256.5 Ų56.540%0.428%0.278SS..Hα-helixtrans-76.8-35-178.9-61.2-53.9000111.8N90 P92 L106 A111 C112N90-Y108 WeakPolarHBondContact O-CD2 3.48Å; P92-Y108 HydrophobicContact CG-CD2 4.42Å; P92-Y108 HydrophobicContact CG-CE2 4.01Å; L106-Y108 PolarHBondContact O-N 3.05Å; L106-Y108 VanDerWaalsContact O-N 3.1Å; Y108-A111 PolarHBondContact O-N 3.32Å; Y108-C112 WeakPolarHBondContact O-CB 3.43Å; Y108-C112 PolarHBondContact O-N 2.96Å; Y108-C112 PolarHBondContact O-SG 2.81Å
109I94.3Very high95.2Very high1 Ų150.8 Ų50.81%0.00525%0.251CS..Hα-helixtrans-63-47.9172.4-61.5-65.8000109.7I87 V89 T91 L106 C112 A113 I140I87-I109 HydrophobicContact CG2-CD1 3.63Å; V89-I109 HydrophobicContact CG2-CD1 3.72Å; V89-I109 HydrophobicContact CG2-CG1 4.37Å; T91-I109 HydrophobicContact CG2-CD1 4.18Å; T91-I109 HydrophobicContact CG2-CG1 3.7Å; L106-I109 HydrophobicContact CD2-CG1 4.39Å; L106-I109 WeakPolarHBondContact O-CB 3.42Å; L106-I109 PolarHBondContact O-N 3.31Å; I109-C112 PolarHBondContact O-N 3.42Å; I109-A113 PolarHBondContact O-N 3.38Å; I109-I140 HydrophobicContact CG2-CD1 3.82Å; I109-I140 HydrophobicContact CG2-CG1 3.6Å
110E95.8Very high95.5Very high75 Ų7550.3 Ų50.335%0.3525%0.246SC..Hα-helixtrans-59.7-47.3176.2168.7168.1-173.300111.8L106 C112 A113 R114 I143L106-E110 PolarHBondContact O-N 3.5Å; E110-C112 VanDerWaalsContact C-N 3.31Å; E110-C112 PolarHBondContact O-N 3.08Å; E110-A113 PolarHBondContact O-N 3.11Å; E110-R114 HydrophobicContact CG-CG 4.42Å; E110-R114 WeakPolarHBondContact O-CG 3.48Å; E110-R114 PolarHBondContact O-N 3.02Å; E110-R114 IonicContact OE1-CZ 2.84Å; E110-R114 IonicContact OE1-NE 3.9Å; E110-R114 PolarHBondContact OE1-NE 3.4Å; E110-R114 IonicContact OE1-NH2 3.48Å; E110-R114 PolarHBondContact OE1-NH2 3.41Å; E110-I143 HydrophobicContact CB-CD1 3.98Å; E110-I143 HydrophobicContact CG-CD1 3.71Å
111A97.4Very high95.5Very high53 Ų5348.7 Ų48.744%0.43824%0.244SC..Hα-helixtrans-59.5-41.7177.800000112K107 Y108 R115K107-A111 VanDerWaalsContact O-CB 3.3Å; K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.43Å; Y108-A111 PolarHBondContact O-N 3.32Å; A111-R115 WeakPolarHBondContact O-CB 3.35Å; A111-R115 PolarHBondContact O-N 2.84Å
112C97.9Very high95.8Very high14 Ų1448.3 Ų48.310%0.09524%0.24CC..Hα-helixtrans-63.6-47.7175-67.80000111.5I10 I87 Y108 I109 E110 R114 R115 I116I10-C112 HydrophobicContact CD1-CB 4.36Å; I87-C112 HydrophobicContact CD1-CB 4.12Å; I87-C112 HydrophobicContact CG1-CB 4.33Å; I87-C112 HydrophobicContact CG2-CB 4.02Å; Y108-C112 WeakPolarHBondContact O-CB 3.43Å; Y108-C112 PolarHBondContact O-N 2.96Å; Y108-C112 PolarHBondContact O-SG 2.81Å; I109-C112 PolarHBondContact O-N 3.42Å; E110-C112 VanDerWaalsContact C-N 3.31Å; E110-C112 PolarHBondContact O-N 3.08Å; C112-R114 VanDerWaalsContact C-N 3.35Å; C112-R114 PolarHBondContact O-N 3.44Å; C112-R115 PolarHBondContact O-N 2.6Å; C112-I116 VanDerWaalsContact O-CG1 3.26Å; C112-I116 WeakPolarHBondContact O-CG1 3.31Å; C112-I116 PolarHBondContact O-N 2.85Å
113A98.1Very high96Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-59-45.8178.200000111.5I109 E110 R115 I116 V117 I140 I143 F144I109-A113 PolarHBondContact O-N 3.38Å; E110-A113 PolarHBondContact O-N 3.11Å; A113-R115 VanDerWaalsContact C-N 3.33Å; A113-R115 PolarHBondContact O-N 3.11Å; A113-I116 PolarHBondContact O-N 3.04Å; A113-V117 PolarHBondContact O-N 2.92Å; A113-I140 HydrophobicContact CB-CB 4.46Å; A113-I140 HydrophobicContact CB-CG1 4.28Å; A113-I140 HydrophobicContact CB-CG2 4.2Å; A113-I143 HydrophobicContact CB-CB 4.26Å; A113-I143 HydrophobicContact CB-CD1 3.76Å; A113-I143 HydrophobicContact CB-CG2 4.08Å; A113-F144 HydrophobicContact CB-CE1 3.92Å; A113-F144 HydrophobicContact CB-CZ 4.42Å; A113-F144 WeakPolarHBondContact O-CE1 3.24Å
114R98.5Very high96.4Very high118 Ų11848 Ų4845%0.44524%0.238SC..Hα-helixtrans-59.4-42.7175.5-71179.3-178.4-74.91112.2E110 C112 V117 Q118 I143E110-R114 HydrophobicContact CG-CG 4.42Å; E110-R114 WeakPolarHBondContact O-CG 3.48Å; E110-R114 PolarHBondContact O-N 3.02Å; E110-R114 IonicContact OE1-CZ 2.84Å; E110-R114 IonicContact OE1-NE 3.9Å; E110-R114 PolarHBondContact OE1-NE 3.4Å; E110-R114 IonicContact OE1-NH2 3.48Å; E110-R114 PolarHBondContact OE1-NH2 3.41Å; C112-R114 VanDerWaalsContact C-N 3.35Å; C112-R114 PolarHBondContact O-N 3.44Å; R114-V117 WeakPolarHBondContact O-CG1 3.34Å; R114-Q118 WeakPolarHBondContact O-CB 3.38Å; R114-Q118 PolarHBondContact O-N 2.83Å; R114-Q118 VanDerWaalsContact O-N 3.07Å; R114-I143 HydrophobicContact CG-CG2 3.88Å
115R98.6Very high96.8Very high80 Ų8047.1 Ų47.130%0.30223%0.231SC..Hα-helixtrans-68.5-35.9177.8-165170.3-172.5168.94112.5I75 D76 I79 A111 C112 A113 Q118 N119I75-R115 VanDerWaalsContact CD1-NH1 3.31Å; D76-R115 VanDerWaalsContact CG-NH2 3.29Å; D76-R115 IonicContact OD1-CZ 3.93Å; D76-R115 IonicContact OD1-NE 2.73Å; D76-R115 PolarHBondContact OD1-NE 3.13Å; D76-R115 IonicContact OD1-NH2 3.31Å; D76-R115 PolarHBondContact OD1-NH2 2.85Å; D76-R115 IonicContact OD2-CZ 3.12Å; D76-R115 IonicContact OD2-NE 3.81Å; D76-R115 IonicContact OD2-NH2 3.44Å; D76-R115 PolarHBondContact OD2-NH2 2.79Å; I79-R115 HydrophobicContact CD1-CG 4.15Å; A111-R115 WeakPolarHBondContact O-CB 3.35Å; A111-R115 PolarHBondContact O-N 2.84Å; C112-R115 PolarHBondContact O-N 2.6Å; A113-R115 VanDerWaalsContact C-N 3.33Å; A113-R115 PolarHBondContact O-N 3.11Å; R115-Q118 PolarHBondContact O-N 2.97Å; R115-N119 PolarHBondContact O-N 2.83Å; R115-N119 VanDerWaalsContact O-N 3.15Å; R115-N119 PolarHBondContact O-ND2 2.9Å
116I98.6Very high97.1Very high0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-63.9-51.9175.3-70.7164.1000110.3I10 I79 V85 I87 C112 A113 Q118 N119 S120 V126 F144 L154I10-I116 HydrophobicContact CD1-CD1 3.99Å; I10-I116 HydrophobicContact CD1-CG1 3.99Å; I79-I116 HydrophobicContact CD1-CG1 4.05Å; I79-I116 HydrophobicContact CG1-CG1 4.37Å; I79-I116 HydrophobicContact CG2-CG1 4.4Å; V85-I116 HydrophobicContact CB-CD1 4.4Å; V85-I116 HydrophobicContact CG1-CD1 3.74Å; V85-I116 HydrophobicContact CG1-CG1 4.12Å; I87-I116 HydrophobicContact CD1-CD1 3.74Å; I87-I116 HydrophobicContact CG1-CD1 3.9Å; C112-I116 VanDerWaalsContact O-CG1 3.26Å; C112-I116 WeakPolarHBondContact O-CG1 3.31Å; C112-I116 PolarHBondContact O-N 2.85Å; A113-I116 PolarHBondContact O-N 3.04Å; I116-Q118 PolarHBondContact O-N 2.86Å; I116-N119 PolarHBondContact O-N 2.92Å; I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.26Å; I116-S120 PolarHBondContact O-OG 3.25Å; I116-V126 HydrophobicContact CD1-CG1 3.9Å; I116-V126 HydrophobicContact CG2-CG2 3.96Å; I116-F144 HydrophobicContact CB-CE1 4.37Å; I116-F144 HydrophobicContact CB-CZ 4.37Å; I116-F144 HydrophobicContact CG2-CE1 4.26Å; I116-F144 HydrophobicContact CG2-CZ 4Å; I116-L154 HydrophobicContact CG2-CD1 4.41Å
117V98.4Very high97.5Very high9 Ų943.9 Ų43.96%0.05521%0.214CC..Hα-helixtrans-62.5-35.1-179.569.30000111.6A113 R114 F144 N147 K149 L152 L154A113-V117 PolarHBondContact O-N 2.92Å; R114-V117 WeakPolarHBondContact O-CG1 3.34Å; V117-F144 HydrophobicContact CB-CD1 4.09Å; V117-F144 HydrophobicContact CB-CE1 4.32Å; V117-N147 HydrophobicContact CG1-CB 4.06Å; V117-N147 HydrophobicContact CG2-CB 3.77Å; V117-N147 WeakPolarHBondContact CG2-O 3.33Å; V117-K149 WeakPolarHBondContact O-CE 3.3Å; V117-K149 PolarHBondContact O-NZ 2.92Å; V117-L152 HydrophobicContact CG2-CD2 3.86Å; V117-L154 HydrophobicContact CB-CD1 4.45Å; V117-L154 HydrophobicContact CG2-CD1 4.49Å
118Q98.3Very high97.5Very high140 Ų14039.6 Ų39.665%0.65420%0.195SC*.Hα-helixtrans-60.7-46.1175.4-177.4175.6-6.300112.4R114 R115 I116 K149R114-Q118 WeakPolarHBondContact O-CB 3.38Å; R114-Q118 PolarHBondContact O-N 2.83Å; R114-Q118 VanDerWaalsContact O-N 3.07Å; R115-Q118 PolarHBondContact O-N 2.97Å; I116-Q118 PolarHBondContact O-N 2.86Å; Q118-K149 PolarHBondContact O-NZ 2.99Å
119N98.6Very high97.4Very high37 Ų3734.9 Ų34.920%0.19818%0.177CC..Hα-helixtrans-96.43.2-172.7-66.3-71.7000114.7D76 I79 R115 I116D76-N119 PolarHBondContact OD1-ND2 3.17Å; I79-N119 HydrophobicContact CB-CB 4.3Å; I79-N119 HydrophobicContact CG2-CB 3.83Å; R115-N119 PolarHBondContact O-N 2.83Å; R115-N119 VanDerWaalsContact O-N 3.15Å; R115-N119 PolarHBondContact O-ND2 2.9Å; I116-N119 PolarHBondContact O-N 2.92Å
120S98.4Very high96.3Very high0 Ų035.1 Ų35.10%018%0.179CC..  trans-102.8145.1-178.8-60.50000112.8I116 K124I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.26Å; I116-S120 PolarHBondContact O-OG 3.25Å; S120-K124 WeakPolarHBondContact OG-CD 3.35Å; S120-K124 WeakPolarHBondContact OG-CE 3.47Å
121N95.8Very high94.8Very high107 Ų10732.5 Ų32.557%0.57217%0.167SC*.  trans-138.3163.4163.1-64.4-70.1000107.4
122G97.1Very high93.1Very high32 Ų3230 Ų3033%0.3315%0.147SC..SBendtrans70.7-153.8177.800000113.1N151 L152 N153G122-N151 CarbonylContact C-O 3.57Å; G122-N151 WeakPolarHBondContact CA-O 3.25Å; G122-N151 PolarHBondContact N-O 3.19Å; G122-L152 WeakPolarHBondContact O-CA 3.05Å; G122-N153 PolarHBondContact O-N 3.17Å
123Y98.4Very high91.3Very high56 Ų5629.4 Ų29.422%0.2214%0.143CC..EExtended strand (participates in β ladder)trans-93.9131.7-179.9-177.3-92.1000111.3F2 I125 N153 Q155F2-Y123 AromaticContact CD1-CE1 3.93Å; F2-Y123 HydrophobicContact CD1-CE1 3.93Å; F2-Y123 AromaticContact CD2-CD1 3.98Å; F2-Y123 HydrophobicContact CD2-CD1 3.98Å; F2-Y123 HydrophobicContact CD2-CE1 4.02Å; F2-Y123 HydrophobicContact CE1-CD1 4.15Å; F2-Y123 AromaticContact CE1-CE1 3.76Å; F2-Y123 HydrophobicContact CE1-CE1 3.76Å; F2-Y123 AromaticContact CE2-CD1 3.52Å; F2-Y123 HydrophobicContact CE2-CD1 3.52Å; F2-Y123 AromaticContact CE2-CE1 3.87Å; F2-Y123 HydrophobicContact CE2-CE1 3.87Å; F2-Y123 HydrophobicContact CG-CD1 4.47Å; F2-Y123 HydrophobicContact CG-CE1 4.04Å; F2-Y123 AromaticContact CZ-CD1 3.61Å; F2-Y123 HydrophobicContact CZ-CD1 3.61Å; F2-Y123 AromaticContact CZ-CE1 3.72Å; F2-Y123 HydrophobicContact CZ-CE1 3.72Å; Y123-I125 HydrophobicContact CE1-CD1 4.28Å; Y123-I125 HydrophobicContact CE1-CG1 3.82Å; Y123-N153 WeakPolarHBondContact CA-O 3.34Å; Y123-N153 HydrophobicContact CD2-CB 4.07Å; Y123-Q155 HydrophobicContact CE2-CG 3.74Å
124K98.8Very high89.8Confident8 Ų830.7 Ų30.74%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-143.7151.3168-57.3-179.5-175.2-80.80111.2I79 K80 A82 D83 S120 N153 L154 Q155I79-K124 WeakPolarHBondContact O-CE 3.14Å; I79-K124 PolarHBondContact O-NZ 3.31Å; K80-K124 PolarHBondContact O-NZ 2.94Å; A82-K124 PolarHBondContact O-NZ 3.41Å; D83-K124 WeakPolarHBondContact O-CA 3.36Å; S120-K124 WeakPolarHBondContact OG-CD 3.35Å; S120-K124 WeakPolarHBondContact OG-CE 3.47Å; K124-N153 PolarHBondContact N-O 3.14Å; K124-L154 HydrophobicContact CB-CD2 3.74Å; K124-L154 HydrophobicContact CD-CD2 4.42Å; K124-L154 HydrophobicContact CG-CD2 4.33Å; K124-L154 WeakPolarHBondContact O-CA 3.34Å; K124-Q155 PolarHBondContact O-N 3.34Å
125I98.8Very high88.9Confident0 Ų031.1 Ų31.10%015%0.152CC..EExtended strand (participates in β ladder)trans-98.7131.7168.5-56.5170.3000107.7F2 I4 D83 L84 V85 Y123 L157 A191 A194F2-I125 HydrophobicContact CD1-CD1 4.01Å; F2-I125 HydrophobicContact CE1-CD1 3.78Å; F2-I125 HydrophobicContact CE1-CG1 4.34Å; I4-I125 HydrophobicContact CD1-CD1 4.21Å; D83-I125 PolarHBondContact O-N 3.02Å; L84-I125 CarbonylContact C-O 3.58Å; L84-I125 VanDerWaalsContact CA-O 3.3Å; L84-I125 WeakPolarHBondContact CA-O 3.34Å; L84-I125 HydrophobicContact CD1-CB 3.72Å; L84-I125 HydrophobicContact CD1-CG2 3.53Å; V85-I125 PolarHBondContact N-O 2.79Å; Y123-I125 HydrophobicContact CE1-CD1 4.28Å; Y123-I125 HydrophobicContact CE1-CG1 3.82Å; I125-L157 HydrophobicContact CG2-CD1 3.53Å; I125-L157 HydrophobicContact CG2-CG 3.85Å; I125-A191 HydrophobicContact CD1-CB 3.95Å; I125-A191 HydrophobicContact CG1-CB 3.93Å; I125-A191 HydrophobicContact CG2-CB 4.23Å; I125-A194 HydrophobicContact CD1-CB 3.73Å
126V98.7Very high88.3Confident0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-118.1119.2177-1780000108V85 I87 I116 I140 F144 L154 Q155 V156 L157V85-V126 CarbonylContact O-C 3.42Å; V85-V126 WeakPolarHBondContact O-CA 3.42Å; I87-V126 HydrophobicContact CD1-CG1 3.77Å; I87-V126 HydrophobicContact CG1-CG1 4.14Å; I116-V126 HydrophobicContact CD1-CG1 3.9Å; I116-V126 HydrophobicContact CG2-CG2 3.96Å; V126-I140 HydrophobicContact CG1-CG2 4.48Å; V126-F144 HydrophobicContact CB-CE2 3.94Å; V126-F144 HydrophobicContact CB-CZ 4.22Å; V126-F144 HydrophobicContact CG1-CE2 4.17Å; V126-F144 HydrophobicContact CG1-CZ 4.06Å; V126-F144 HydrophobicContact CG2-CE2 3.76Å; V126-F144 HydrophobicContact CG2-CZ 3.87Å; V126-L154 HydrophobicContact CG2-CD2 4.4Å; V126-Q155 PolarHBondContact N-O 3.32Å; V126-V156 CarbonylContact O-C 3.44Å; V126-V156 WeakPolarHBondContact O-CA 3.5Å; V126-L157 PolarHBondContact O-N 2.81Å
127T98.4Very high87.8Confident0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-119.5117.9-172.3-59.50000110.9L84 V85 F86 I87 L157 N159 L195L84-T127 VanDerWaalsContact CD1-OG1 3.28Å; L84-T127 WeakPolarHBondContact CD1-OG1 2.89Å; V85-T127 PolarHBondContact O-N 2.94Å; F86-T127 CarbonylContact C-O 3.5Å; F86-T127 VanDerWaalsContact CA-O 3.29Å; F86-T127 WeakPolarHBondContact CA-O 3.47Å; F86-T127 HydrophobicContact CD1-CG2 3.79Å; F86-T127 HydrophobicContact CE1-CG2 3.55Å; I87-T127 PolarHBondContact N-O 3.48Å; T127-L157 WeakPolarHBondContact CA-O 3.22Å; T127-L157 HydrophobicContact CG2-CB 4.08Å; T127-N159 HydrophobicContact CG2-CB 3.33Å; T127-L195 HydrophobicContact CG2-CD2 3.95Å
128E95.3Very high87.5Confident0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-74.2129.6171-170.7-74141.100109.3S130 P133 A136 I140 L157 N159E128-S130 WeakPolarHBondContact OE1-CA 3.43Å; E128-S130 WeakPolarHBondContact OE1-CB 3.48Å; E128-S130 PolarHBondContact OE1-N 3.42Å; E128-P133 WeakPolarHBondContact OE2-CB 3.32Å; E128-A136 HydrophobicContact CG-CB 4.08Å; E128-I140 HydrophobicContact CB-CD1 4.11Å; E128-I140 HydrophobicContact CG-CD1 4.29Å; E128-L157 PolarHBondContact N-O 3.5Å; E128-N159 CarbonylContact O-C 3.6Å; E128-N159 PolarHBondContact O-N 2.93Å
129K90.9Very high87.2Confident2 Ų226.1 Ų26.11%0.00914%0.136CC..  trans-130.410.4-177.8166163.2-85.8-59.90113V15 T19 F86 I87 N159 E161V15-K129 HydrophobicContact CG1-CD 4.06Å; V15-K129 HydrophobicContact CG1-CG 3.63Å; T19-K129 HydrophobicContact CG2-CD 3.75Å; F86-K129 HydrophobicContact CD1-CB 3.96Å; F86-K129 HydrophobicContact CD1-CD 4.18Å; F86-K129 HydrophobicContact CE1-CB 4.46Å; F86-K129 HydrophobicContact CE1-CD 4.24Å; I87-K129 PolarHBondContact O-N 3.17Å; K129-N159 WeakPolarHBondContact CA-O 3.28Å; K129-N159 WeakPolarHBondContact CE-OD1 3.49Å; K129-N159 PolarHBondContact NZ-O 2.79Å; K129-N159 PolarHBondContact NZ-OD1 3.4Å; K129-E161 HydrophobicContact CG-CB 4.4Å; K129-E161 IonicContact NZ-OE2 3.89Å; K129-E161 PolarHBondContact NZ-OE2 3.35Å
130S72.7Confident87.1Confident7 Ų724.4 Ų24.45%0.04913%0.127CC..  trans-72.6168.5-178.8-158.40000112.7V89 E128V89-S130 PolarHBondContact O-OG 2.9Å; E128-S130 WeakPolarHBondContact OE1-CA 3.43Å; E128-S130 WeakPolarHBondContact OE1-CB 3.48Å; E128-S130 PolarHBondContact OE1-N 3.42Å
131T62.6Low86.9Confident19 Ų1927.7 Ų27.712%0.11714%0.139CC..SBendtrans-83.6-14-174.550.40000114.2V15 K279V15-T131 HydrophobicContact CG2-CG2 4.4Å; T131-K279 PolarHBondContact OG1-NZ 3.15Å
132V63.3Low87Confident2 Ų231.6 Ų31.61%0.01215%0.146CC..  trans-129.978.7179-160.20000111.8A104 V134 K279 D280 N283A104-V132 HydrophobicContact CB-CG1 4.22Å; V132-V134 PolarHBondContact O-N 3.06Å; V132-K279 HydrophobicContact CG2-CD 3.74Å; V132-K279 HydrophobicContact CG2-CG 4.12Å; V132-K279 VanDerWaalsContact CG2-NZ 3.25Å; V132-D280 VanDerWaalsContact CG2-OD1 3.27Å; V132-D280 WeakPolarHBondContact CG2-OD1 3.36Å; V132-N283 HydrophobicContact CG1-CB 3.85Å
133P60Low87Confident0 Ų030.7 Ų30.70%013%0.133CC..  trans-92.7102.3172.438-33.6000107.9E128 A136 E217E128-P133 WeakPolarHBondContact OE2-CB 3.32Å; P133-A136 HydrophobicContact CB-CB 4.29Å; P133-E217 HydrophobicContact CB-CB 3.94Å; P133-E217 HydrophobicContact CB-CG 3.58Å; P133-E217 HydrophobicContact CG-CB 3.95Å; P133-E217 HydrophobicContact CG-CG 4.06Å; P133-E217 VanDerWaalsContact O-CB 3.31Å; P133-E217 WeakPolarHBondContact O-CB 3.48Å
134V65.4Low87Confident27 Ų2728.4 Ų28.416%0.16413%0.125CC..SBendtrans-129.7104161.1178.50000105.7V132 A136 W214 L221 L287V132-V134 PolarHBondContact O-N 3.06Å; V134-A136 PolarHBondContact O-N 2.91Å; V134-W214 HydrophobicContact CG1-CH2 4.07Å; V134-L221 HydrophobicContact CG2-CD2 3.57Å; V134-L287 HydrophobicContact CG1-CB 4.38Å; V134-L287 HydrophobicContact CG1-CD1 3.61Å; V134-L287 HydrophobicContact CG1-CD2 3.62Å; V134-L287 HydrophobicContact CG1-CG 4.04Å; V134-L287 HydrophobicContact CG2-CD2 4.28Å
135R81.1Confident86.9Confident128 Ų12833.1 Ų33.148%0.48315%0.15SC..SBendtrans67.120-173.9-48.9178.972177.21.4113.4E138 S139 W214 E217R135-E138 HydrophobicContact CB-CB 4.28Å; R135-E138 WeakPolarHBondContact CG-OE2 3.39Å; R135-E138 IonicContact CZ-OE1 2.71Å; R135-E138 IonicContact CZ-OE2 3.08Å; R135-E138 IonicContact NE-OE1 3.7Å; R135-E138 IonicContact NE-OE2 2.82Å; R135-E138 PolarHBondContact NE-OE2 3.19Å; R135-E138 IonicContact NH2-OE1 3.34Å; R135-E138 PolarHBondContact NH2-OE1 3.07Å; R135-E138 IonicContact NH2-OE2 3.46Å; R135-E138 PolarHBondContact NH2-OE2 2.71Å; R135-S139 WeakPolarHBondContact O-CB 3.49Å; R135-S139 PolarHBondContact O-N 2.96Å; R135-S139 PolarHBondContact O-OG 2.9Å; R135-W214 HydrophobicContact CB-CZ3 4.19Å; R135-W214 HydrophobicContact CG-CH2 3.49Å; R135-W214 VanDerWaalsContact CG-CH2 3.49Å; R135-W214 HydrophobicContact CG-CZ3 3.37Å; R135-E217 PolarHBondContact N-OE2 3.08Å
136A85.1Confident86.9Confident1 Ų136.9 Ų36.91%0.00818%0.181CC..Hα-helixtrans-69.8-50177.200000110E128 P133 V134 E138 S139 I140 E217E128-A136 HydrophobicContact CG-CB 4.08Å; P133-A136 HydrophobicContact CB-CB 4.29Å; V134-A136 PolarHBondContact O-N 2.91Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.33Å; A136-S139 WeakPolarHBondContact O-CB 3.41Å; A136-S139 PolarHBondContact O-N 3.49Å; A136-S139 VanDerWaalsContact O-N 3.16Å; A136-I140 VanDerWaalsContact O-CG1 3.31Å; A136-I140 WeakPolarHBondContact O-CG1 3.06Å; A136-I140 PolarHBondContact O-N 3.15Å; A136-E217 PolarHBondContact N-OE1 3.15Å
137A88.9Confident86.8Confident3 Ų340.2 Ų40.23%0.02520%0.199CC..Hα-helixtrans-60.9-39.1175.100000112.5I140 R141 V156 T213 E217A137-I140 PolarHBondContact O-N 2.76Å; A137-R141 WeakPolarHBondContact O-CB 3.49Å; A137-R141 PolarHBondContact O-N 3.28Å; A137-V156 HydrophobicContact CB-CG1 3.99Å; A137-T213 HydrophobicContact CB-CG2 4.45Å; A137-E217 VanDerWaalsContact CB-OE1 3.28Å; A137-E217 WeakPolarHBondContact CB-OE1 3.06Å; A137-E217 PolarHBondContact N-OE1 2.81Å
138E91.4Very high86.7Confident85 Ų8545.1 Ų45.140%0.39723%0.229SC..Hα-helixtrans-62.2-43.5174.5-170.3-168.1163.700111.3R135 A136 R141 R142R135-E138 HydrophobicContact CB-CB 4.28Å; R135-E138 WeakPolarHBondContact CG-OE2 3.39Å; R135-E138 IonicContact CZ-OE1 2.71Å; R135-E138 IonicContact CZ-OE2 3.08Å; R135-E138 IonicContact NE-OE1 3.7Å; R135-E138 IonicContact NE-OE2 2.82Å; R135-E138 PolarHBondContact NE-OE2 3.19Å; R135-E138 IonicContact NH2-OE1 3.34Å; R135-E138 PolarHBondContact NH2-OE1 3.07Å; R135-E138 IonicContact NH2-OE2 3.46Å; R135-E138 PolarHBondContact NH2-OE2 2.71Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.33Å; E138-R141 PolarHBondContact O-N 3Å; E138-R142 WeakPolarHBondContact O-CB 3.19Å; E138-R142 PolarHBondContact O-N 3.41Å
139S92.3Very high86.8Confident34 Ų3448.7 Ų48.724%0.23825%0.245CC..Hα-helixtrans-64.1-43.2177.8-61.40000112R135 A136 R142 I143R135-S139 WeakPolarHBondContact O-CB 3.49Å; R135-S139 PolarHBondContact O-N 2.96Å; R135-S139 PolarHBondContact O-OG 2.9Å; A136-S139 WeakPolarHBondContact O-CB 3.41Å; A136-S139 PolarHBondContact O-N 3.49Å; A136-S139 VanDerWaalsContact O-N 3.16Å; S139-R142 PolarHBondContact O-N 3.46Å; S139-I143 WeakPolarHBondContact O-CD1 3.13Å; S139-I143 WeakPolarHBondContact O-CG1 3.34Å; S139-I143 PolarHBondContact O-N 3.1Å
140I95.4Very high87Confident1 Ų154.1 Ų54.11%0.00528%0.28CS..Hα-helixtrans-59.6-49.4175.4-66.5162.7000110I87 I109 A113 V126 E128 A136 A137 R142 I143 F144 V156I87-I140 HydrophobicContact CD1-CD1 3.93Å; I87-I140 HydrophobicContact CD1-CG1 4.4Å; I109-I140 HydrophobicContact CG2-CD1 3.82Å; I109-I140 HydrophobicContact CG2-CG1 3.6Å; A113-I140 HydrophobicContact CB-CB 4.46Å; A113-I140 HydrophobicContact CB-CG1 4.28Å; A113-I140 HydrophobicContact CB-CG2 4.2Å; V126-I140 HydrophobicContact CG1-CG2 4.48Å; E128-I140 HydrophobicContact CB-CD1 4.11Å; E128-I140 HydrophobicContact CG-CD1 4.29Å; A136-I140 VanDerWaalsContact O-CG1 3.31Å; A136-I140 WeakPolarHBondContact O-CG1 3.06Å; A136-I140 PolarHBondContact O-N 3.15Å; A137-I140 PolarHBondContact O-N 2.76Å; I140-R142 PolarHBondContact O-N 3.24Å; I140-I143 WeakPolarHBondContact O-CB 3.37Å; I140-I143 PolarHBondContact O-N 3.33Å; I140-I143 VanDerWaalsContact O-N 3.15Å; I140-F144 HydrophobicContact CG2-CD2 3.91Å; I140-F144 HydrophobicContact CG2-CE1 4.13Å; I140-F144 HydrophobicContact CG2-CE2 3.35Å; I140-F144 HydrophobicContact CG2-CG 4.5Å; I140-F144 HydrophobicContact CG2-CZ 3.48Å; I140-F144 VanDerWaalsContact CG2-CZ 3.48Å; I140-F144 WeakPolarHBondContact O-CG 3.35Å; I140-F144 PolarHBondContact O-N 2.56Å; I140-V156 HydrophobicContact CB-CG1 4.34Å; I140-V156 HydrophobicContact CG2-CG1 4.13Å; I140-V156 HydrophobicContact CG2-CG2 3.86Å
141R95.7Very high88Confident70 Ų7061 Ų6126%0.26432%0.316SS..Hα-helixtrans-58.9-47.5179.2-179.9177.6-58.2-110.4-11.3112.3A137 E138 I143 F144 D145 V156 D183A137-R141 WeakPolarHBondContact O-CB 3.49Å; A137-R141 PolarHBondContact O-N 3.28Å; E138-R141 PolarHBondContact O-N 3Å; R141-I143 PolarHBondContact O-N 2.94Å; R141-F144 PolarHBondContact O-N 2.87Å; R141-D145 WeakPolarHBondContact CG-OD2 3.31Å; R141-D145 VanDerWaalsContact O-CG 3.28Å; R141-D145 PolarHBondContact O-N 3.4Å; R141-V156 HydrophobicContact CB-CG2 4.41Å; R141-D183 IonicContact CZ-OD1 3.16Å; R141-D183 VanDerWaalsContact CZ-OD1 3.26Å; R141-D183 IonicContact CZ-OD2 2.77Å; R141-D183 VanDerWaalsContact NH1-CG 3.27Å; R141-D183 IonicContact NH1-OD1 3.23Å; R141-D183 PolarHBondContact NH1-OD1 2.99Å; R141-D183 IonicContact NH1-OD2 3.26Å; R141-D183 PolarHBondContact NH1-OD2 3.08Å; R141-D183 IonicContact NH2-OD1 2.66Å; R141-D183 PolarHBondContact NH2-OD1 3.02Å; R141-D183 IonicContact NH2-OD2 3.85Å; R141-D183 PolarHBondContact NH2-OD2 3.15Å
142R96.6Very high89.7Confident189 Ų18961.4 Ų61.471%0.71332%0.318SS*.Hα-helixtrans-57.7-35.2177.9-165179.375137.51.9112.2E138 S139 I140 A146E138-R142 WeakPolarHBondContact O-CB 3.19Å; E138-R142 PolarHBondContact O-N 3.41Å; S139-R142 PolarHBondContact O-N 3.46Å; I140-R142 PolarHBondContact O-N 3.24Å; R142-A146 VanDerWaalsContact O-CB 3.32Å; R142-A146 WeakPolarHBondContact O-CB 3.41Å; R142-A146 PolarHBondContact O-N 3.16Å
143I98Very high91.4Very high12 Ų1263.9 Ų63.96%0.06233%0.331CS..Hα-helixtrans-69.6-44.5175.1-67.8161.8000110.6E110 A113 R114 S139 I140 R141 A146 N147E110-I143 HydrophobicContact CB-CD1 3.98Å; E110-I143 HydrophobicContact CG-CD1 3.71Å; A113-I143 HydrophobicContact CB-CB 4.26Å; A113-I143 HydrophobicContact CB-CD1 3.76Å; A113-I143 HydrophobicContact CB-CG2 4.08Å; R114-I143 HydrophobicContact CG-CG2 3.88Å; S139-I143 WeakPolarHBondContact O-CD1 3.13Å; S139-I143 WeakPolarHBondContact O-CG1 3.34Å; S139-I143 PolarHBondContact O-N 3.1Å; I140-I143 WeakPolarHBondContact O-CB 3.37Å; I140-I143 PolarHBondContact O-N 3.33Å; I140-I143 VanDerWaalsContact O-N 3.15Å; R141-I143 PolarHBondContact O-N 2.94Å; I143-A146 PolarHBondContact O-N 3.45Å; I143-N147 WeakPolarHBondContact O-CB 3.39Å; I143-N147 PolarHBondContact O-N 3.05Å; I143-N147 PolarHBondContact O-ND2 2.96Å
144F98.1Very high93.2Very high9 Ų965 Ų654%0.03934%0.337CS..Hα-helixtrans-65.1-46.2179.6-65.4-12.9000112.3A113 I116 V117 V126 I140 R141 A146 N147 T148 L154 V156A113-F144 HydrophobicContact CB-CE1 3.92Å; A113-F144 HydrophobicContact CB-CZ 4.42Å; A113-F144 WeakPolarHBondContact O-CE1 3.24Å; I116-F144 HydrophobicContact CB-CE1 4.37Å; I116-F144 HydrophobicContact CB-CZ 4.37Å; I116-F144 HydrophobicContact CG2-CE1 4.26Å; I116-F144 HydrophobicContact CG2-CZ 4Å; V117-F144 HydrophobicContact CB-CD1 4.09Å; V117-F144 HydrophobicContact CB-CE1 4.32Å; V126-F144 HydrophobicContact CB-CE2 3.94Å; V126-F144 HydrophobicContact CB-CZ 4.22Å; V126-F144 HydrophobicContact CG1-CE2 4.17Å; V126-F144 HydrophobicContact CG1-CZ 4.06Å; V126-F144 HydrophobicContact CG2-CE2 3.76Å; V126-F144 HydrophobicContact CG2-CZ 3.87Å; I140-F144 HydrophobicContact CG2-CD2 3.91Å; I140-F144 HydrophobicContact CG2-CE1 4.13Å; I140-F144 HydrophobicContact CG2-CE2 3.35Å; I140-F144 HydrophobicContact CG2-CG 4.5Å; I140-F144 HydrophobicContact CG2-CZ 3.48Å; I140-F144 VanDerWaalsContact CG2-CZ 3.48Å; I140-F144 WeakPolarHBondContact O-CG 3.35Å; I140-F144 PolarHBondContact O-N 2.56Å; R141-F144 PolarHBondContact O-N 2.87Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.18Å; F144-N147 CarbonylContact O-C 3.54Å; F144-N147 PolarHBondContact O-N 2.9Å; F144-T148 PolarHBondContact O-N 3.18Å; F144-L154 HydrophobicContact CB-CD1 4.37Å; F144-L154 HydrophobicContact CD1-CD1 3.75Å; F144-L154 HydrophobicContact CD2-CB 3.63Å; F144-L154 HydrophobicContact CD2-CD1 3.79Å; F144-L154 HydrophobicContact CD2-CG 4.37Å; F144-L154 HydrophobicContact CE1-CD1 3.85Å; F144-L154 HydrophobicContact CE2-CB 3.91Å; F144-L154 HydrophobicContact CE2-CD1 3.89Å; F144-L154 HydrophobicContact CE2-CG 4.49Å; F144-L154 HydrophobicContact CG-CB 4.24Å; F144-L154 HydrophobicContact CG-CD1 3.72Å; F144-L154 HydrophobicContact CZ-CD1 3.93Å; F144-V156 HydrophobicContact CD2-CG2 3.67Å; F144-V156 HydrophobicContact CE2-CG2 3.75Å
145D97.1Very high94.8Very high107 Ų10764.7 Ų64.757%0.57233%0.334SS*.Hα-helixtrans-61.3-35.8179.6-65.4-16.7000112R141 N147 T148R141-D145 WeakPolarHBondContact CG-OD2 3.31Å; R141-D145 VanDerWaalsContact O-CG 3.28Å; R141-D145 PolarHBondContact O-N 3.4Å; D145-N147 VanDerWaalsContact C-N 3.32Å; D145-N147 PolarHBondContact O-N 3.2Å; D145-T148 WeakPolarHBondContact O-CG2 3.42Å
146A97.8Very high95.6Very high79 Ų7958.8 Ų58.865%0.65331%0.312SS*.Hα-helixtrans-78.3-12.2178.300000114.2R142 I143 F144R142-A146 VanDerWaalsContact O-CB 3.32Å; R142-A146 WeakPolarHBondContact O-CB 3.41Å; R142-A146 PolarHBondContact O-N 3.16Å; I143-A146 PolarHBondContact O-N 3.45Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.18Å
147N97.4Very high96.2Very high69 Ų6958.8 Ų58.837%0.36931%0.311SS..THydrogen-bonded Turntrans-129.837.7-173.2-65.3-90.7000111.7V117 I143 F144 D145V117-N147 HydrophobicContact CG1-CB 4.06Å; V117-N147 HydrophobicContact CG2-CB 3.77Å; V117-N147 WeakPolarHBondContact CG2-O 3.33Å; I143-N147 WeakPolarHBondContact O-CB 3.39Å; I143-N147 PolarHBondContact O-N 3.05Å; I143-N147 PolarHBondContact O-ND2 2.96Å; F144-N147 CarbonylContact O-C 3.54Å; F144-N147 PolarHBondContact O-N 2.9Å; D145-N147 VanDerWaalsContact C-N 3.32Å; D145-N147 PolarHBondContact O-N 3.2Å
148T96.4Very high96.6Very high104 Ų10458.6 Ų58.664%0.63831%0.31SS*.  trans-64.7152.6-179.955.30000112.3F144 D145F144-T148 PolarHBondContact O-N 3.18Å; D145-T148 WeakPolarHBondContact O-CG2 3.42Å
149K96.3Very high96.9Very high75 Ų7554.6 Ų54.633%0.32629%0.292SS..  trans-133.6153.9176.1-60.6174-178.2167.80109.1V117 Q118 N151 L152V117-K149 WeakPolarHBondContact O-CE 3.3Å; V117-K149 PolarHBondContact O-NZ 2.92Å; Q118-K149 PolarHBondContact O-NZ 2.99Å; K149-N151 PolarHBondContact O-N 3.38Å; K149-L152 HydrophobicContact CB-CB 3.91Å; K149-L152 HydrophobicContact CB-CD2 4.24Å; K149-L152 HydrophobicContact CD-CD2 4.21Å; K149-L152 HydrophobicContact CG-CD2 4.24Å; K149-L152 WeakPolarHBondContact O-CB 3.46Å; K149-L152 PolarHBondContact O-N 3.31Å
150P96.1Very high97Very high116 Ų11653.1 Ų53.175%0.75328%0.281SS*.THydrogen-bonded Turntrans-51.3130.8170.3-26.335000111.1L152P150-L152 PolarHBondContact O-N 3.14Å
151N93.7Very high96.8Very high150 Ų15053.9 Ų53.980%0.80229%0.285SS*.THydrogen-bonded Turntrans64.29.1-179.7-48.5-45.9000116.1G122 K149G122-N151 CarbonylContact C-O 3.57Å; G122-N151 WeakPolarHBondContact CA-O 3.25Å; G122-N151 PolarHBondContact N-O 3.19Å; K149-N151 PolarHBondContact O-N 3.38Å
152L97.9Very high96.6Very high28 Ų2852.6 Ų52.615%0.14728%0.281CS..  trans-87.8124.9171.5179.866.6000110.2V117 G122 K149 P150 L154V117-L152 HydrophobicContact CG2-CD2 3.86Å; G122-L152 WeakPolarHBondContact O-CA 3.05Å; K149-L152 HydrophobicContact CB-CB 3.91Å; K149-L152 HydrophobicContact CB-CD2 4.24Å; K149-L152 HydrophobicContact CD-CD2 4.21Å; K149-L152 HydrophobicContact CG-CD2 4.24Å; K149-L152 WeakPolarHBondContact O-CB 3.46Å; K149-L152 PolarHBondContact O-N 3.31Å; P150-L152 PolarHBondContact O-N 3.14Å; L152-L154 HydrophobicContact CD1-CD1 4.24Å; L152-L154 HydrophobicContact CD1-CD2 3.85Å; L152-L154 HydrophobicContact CD1-CG 3.83Å; L152-L154 HydrophobicContact CD2-CD1 4.17Å; L152-L154 HydrophobicContact CD2-CG 4.41Å; L152-L154 HydrophobicContact CG-CD1 4.36Å; L152-L154 HydrophobicContact CG-CG 4.06Å
153N97.9Very high96.1Very high54 Ų5444.9 Ų44.929%0.28925%0.254SS..EExtended strand (participates in β ladder)trans-133.2108.2174.7-1770.6000109.6G122 Y123 K124 Q155G122-N153 PolarHBondContact O-N 3.17Å; Y123-N153 WeakPolarHBondContact CA-O 3.34Å; Y123-N153 HydrophobicContact CD2-CB 4.07Å; K124-N153 PolarHBondContact N-O 3.14Å; N153-Q155 PolarHBondContact OD1-NE2 3.15Å
154L98.6Very high95.6Very high25 Ų2546.3 Ų46.313%0.13127%0.267CS..EExtended strand (participates in β ladder)trans-111117.7-179.6-62.3178.4000109.8I116 V117 K124 V126 F144 L152I116-L154 HydrophobicContact CG2-CD1 4.41Å; V117-L154 HydrophobicContact CB-CD1 4.45Å; V117-L154 HydrophobicContact CG2-CD1 4.49Å; K124-L154 HydrophobicContact CB-CD2 3.74Å; K124-L154 HydrophobicContact CD-CD2 4.42Å; K124-L154 HydrophobicContact CG-CD2 4.33Å; K124-L154 WeakPolarHBondContact O-CA 3.34Å; V126-L154 HydrophobicContact CG2-CD2 4.4Å; F144-L154 HydrophobicContact CB-CD1 4.37Å; F144-L154 HydrophobicContact CD1-CD1 3.75Å; F144-L154 HydrophobicContact CD2-CB 3.63Å; F144-L154 HydrophobicContact CD2-CD1 3.79Å; F144-L154 HydrophobicContact CD2-CG 4.37Å; F144-L154 HydrophobicContact CE1-CD1 3.85Å; F144-L154 HydrophobicContact CE2-CB 3.91Å; F144-L154 HydrophobicContact CE2-CD1 3.89Å; F144-L154 HydrophobicContact CE2-CG 4.49Å; F144-L154 HydrophobicContact CG-CB 4.24Å; F144-L154 HydrophobicContact CG-CD1 3.72Å; F144-L154 HydrophobicContact CZ-CD1 3.93Å; L152-L154 HydrophobicContact CD1-CD1 4.24Å; L152-L154 HydrophobicContact CD1-CD2 3.85Å; L152-L154 HydrophobicContact CD1-CG 3.83Å; L152-L154 HydrophobicContact CD2-CD1 4.17Å; L152-L154 HydrophobicContact CD2-CG 4.41Å; L152-L154 HydrophobicContact CG-CD1 4.36Å; L152-L154 HydrophobicContact CG-CG 4.06Å
155Q98.6Very high95Very high20 Ų2046.8 Ų46.89%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-94.6133.5174.2-62.2-58.7-5600109.8Y123 K124 V126 N153 A191Y123-Q155 HydrophobicContact CE2-CG 3.74Å; K124-Q155 PolarHBondContact O-N 3.34Å; V126-Q155 PolarHBondContact N-O 3.32Å; N153-Q155 PolarHBondContact OD1-NE2 3.15Å; Q155-A191 HydrophobicContact CB-CB 3.66Å; Q155-A191 HydrophobicContact CG-CB 4.05Å
156V98.3Very high94.5Very high4 Ų442 Ų422%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-106.3123.1-179-175.90000110.1V126 A137 I140 R141 F144V126-V156 CarbonylContact O-C 3.44Å; V126-V156 WeakPolarHBondContact O-CA 3.5Å; A137-V156 HydrophobicContact CB-CG1 3.99Å; I140-V156 HydrophobicContact CB-CG1 4.34Å; I140-V156 HydrophobicContact CG2-CG1 4.13Å; I140-V156 HydrophobicContact CG2-CG2 3.86Å; R141-V156 HydrophobicContact CB-CG2 4.41Å; F144-V156 HydrophobicContact CD2-CG2 3.67Å; F144-V156 HydrophobicContact CE2-CG2 3.75Å
157L98.4Very high94.2Very high0 Ų040.9 Ų40.90%023%0.231CC..EExtended strand (participates in β ladder)trans-115.4154.5173.3-56.4-178.2000111I125 V126 T127 E128 I180 G181 A191 V192 L195I125-L157 HydrophobicContact CG2-CD1 3.53Å; I125-L157 HydrophobicContact CG2-CG 3.85Å; V126-L157 PolarHBondContact O-N 2.81Å; T127-L157 WeakPolarHBondContact CA-O 3.22Å; T127-L157 HydrophobicContact CG2-CB 4.08Å; E128-L157 PolarHBondContact N-O 3.5Å; L157-I180 HydrophobicContact CD1-CG2 4.43Å; L157-G181 CarbonylContact C-O 3.57Å; L157-G181 VanDerWaalsContact CA-O 3.23Å; L157-G181 WeakPolarHBondContact CA-O 3.39Å; L157-G181 WeakPolarHBondContact CB-O 3.46Å; L157-A191 HydrophobicContact CD1-CB 4.27Å; L157-A191 HydrophobicContact CD2-CB 4.06Å; L157-A191 HydrophobicContact CG-CB 4.36Å; L157-V192 HydrophobicContact CD2-CG2 3.68Å; L157-L195 HydrophobicContact CD1-CB 3.99Å; L157-L195 HydrophobicContact CD1-CD2 3.84Å
158S97.4Very high94Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-107.1131.7162.5-179.20000108.6I180 G181S158-I180 CarbonylContact O-C 3.6Å; S158-I180 WeakPolarHBondContact O-CA 3.31Å; S158-G181 PolarHBondContact N-O 2.99Å; S158-G181 PolarHBondContact O-N 2.84Å
159N97.4Very high93.9Very high1 Ų133.1 Ų33.11%0.00519%0.186CC..  trans-140.976.4175.8176.6-129.9000109.8T127 E128 K129 L179 L195 Y199T127-N159 HydrophobicContact CG2-CB 3.33Å; E128-N159 CarbonylContact O-C 3.6Å; E128-N159 PolarHBondContact O-N 2.93Å; K129-N159 WeakPolarHBondContact CA-O 3.28Å; K129-N159 WeakPolarHBondContact CE-OD1 3.49Å; K129-N159 PolarHBondContact NZ-O 2.79Å; K129-N159 PolarHBondContact NZ-OD1 3.4Å; N159-L179 WeakPolarHBondContact CA-O 3.34Å; N159-L179 PolarHBondContact ND2-O 3.04Å; N159-L195 HydrophobicContact CB-CD2 4.08Å; N159-Y199 PolarHBondContact OD1-OH 3.35Å
160P94.3Very high93.9Very high3 Ų336.9 Ų36.92%0.01920%0.202CC..  trans-58.1149.4-176.8-2333.3000112.1F162 L179 S216 K220P160-F162 HydrophobicContact CB-CE2 4.27Å; P160-F162 HydrophobicContact CB-CZ 4.27Å; P160-L179 HydrophobicContact CG-CD2 4.48Å; P160-S216 WeakPolarHBondContact CD-OG 3.37Å; P160-K220 HydrophobicContact CB-CB 3.69Å; P160-K220 HydrophobicContact CB-CD 4.07Å; P160-K220 HydrophobicContact CB-CG 3.84Å; P160-K220 HydrophobicContact CG-CB 3.98Å
161E90.3Very high93.9Very high16 Ų1633.4 Ų33.48%0.07518%0.177CC..  trans-93141.9174.7-177.855.1-111.500111.4V15 T19 K129 L163 K220V15-E161 HydrophobicContact CG1-CB 3.96Å; V15-E161 HydrophobicContact CG1-CG 4.05Å; V15-E161 HydrophobicContact CG2-CG 4.49Å; T19-E161 PolarHBondContact OG1-OE2 3.17Å; K129-E161 HydrophobicContact CG-CB 4.4Å; K129-E161 IonicContact NZ-OE2 3.89Å; K129-E161 PolarHBondContact NZ-OE2 3.35Å; E161-L163 VanDerWaalsContact CD-CD2 3.47Å; E161-L163 HydrophobicContact CG-CB 4.2Å; E161-L163 HydrophobicContact CG-CD2 3.48Å; E161-L163 VanDerWaalsContact CG-CD2 3.48Å; E161-L163 HydrophobicContact CG-CG 3.48Å; E161-L163 VanDerWaalsContact CG-CG 3.48Å; E161-L163 WeakPolarHBondContact OE1-CB 3.44Å; E161-L163 PolarHBondContact OE1-N 3.2Å; E161-K220 WeakPolarHBondContact O-CE 3.46Å; E161-K220 PolarHBondContact O-NZ 3.33Å
162F91.6Very high94.1Very high44 Ų4427 Ų2719%0.19314%0.143CC..  trans-122.33.7179.7-64.9-77.2000114.1P160 L179 K220 A223P160-F162 HydrophobicContact CB-CE2 4.27Å; P160-F162 HydrophobicContact CB-CZ 4.27Å; F162-L179 HydrophobicContact CE2-CB 3.81Å; F162-L179 HydrophobicContact CE2-CD2 4.36Å; F162-L179 HydrophobicContact CZ-CB 4.33Å; F162-L179 HydrophobicContact CZ-CD2 4.05Å; F162-K220 HydrophobicContact CD1-CD 3.96Å; F162-K220 HydrophobicContact CE1-CD 3.58Å; F162-K220 HydrophobicContact CZ-CD 4.16Å; F162-A223 HydrophobicContact CE1-CB 4.43Å
163L87.3Confident94.1Very high27 Ų2729.9 Ų29.914%0.14115%0.154CC..  trans-56.8148.7171.872.284.4000112.2E161 A168 D171 L172E161-L163 VanDerWaalsContact CD-CD2 3.47Å; E161-L163 HydrophobicContact CG-CB 4.2Å; E161-L163 HydrophobicContact CG-CD2 3.48Å; E161-L163 VanDerWaalsContact CG-CD2 3.48Å; E161-L163 HydrophobicContact CG-CG 3.48Å; E161-L163 VanDerWaalsContact CG-CG 3.48Å; E161-L163 WeakPolarHBondContact OE1-CB 3.44Å; E161-L163 PolarHBondContact OE1-N 3.2Å; L163-A168 HydrophobicContact CB-CB 4.35Å; L163-A168 HydrophobicContact CD1-CB 3.96Å; L163-A168 HydrophobicContact CD2-CB 4.31Å; L163-A168 HydrophobicContact CG-CB 4.43Å; L163-D171 HydrophobicContact CB-CB 4.13Å; L163-L172 HydrophobicContact CD2-CD1 4.09Å; L163-L172 HydrophobicContact CD2-CD2 4.3Å; L163-L172 HydrophobicContact CD2-CG 4.22Å
164A87.1Confident94Very high41 Ų4132.2 Ų32.234%0.33917%0.166SC..  trans-109.5138.4165.700000109.9T167 A168 D171A164-T167 CarbonylContact O-C 3.48Å; A164-T167 PolarHBondContact O-N 3.1Å; A164-T167 PolarHBondContact O-OG1 3.01Å; A164-A168 PolarHBondContact O-N 3.26Å; A164-A168 VanDerWaalsContact O-N 3.13Å; A164-D171 PolarHBondContact N-OD2 3.15Å
165E84.6Confident94Very high19 Ų1931.8 Ų31.89%0.08917%0.165CC..THydrogen-bonded Turntrans-59141.5174-64.6-177.5-155.600110.7Y14 E54 T167 F338 K339 T342 D344 R346Y14-E165 HydrophobicContact CD1-CG 4.13Å; E54-E165 WeakPolarHBondContact OE1-CA 3.42Å; E165-T167 VanDerWaalsContact C-N 3.26Å; E165-T167 PolarHBondContact O-N 3.48Å; E165-F338 HydrophobicContact CB-CZ 4.29Å; E165-K339 WeakPolarHBondContact O-CE 3.38Å; E165-K339 PolarHBondContact O-NZ 3.04Å; E165-T342 PolarHBondContact OE2-OG1 3.35Å; E165-D344 WeakPolarHBondContact OE2-CB 3.47Å; E165-R346 IonicContact OE1-NH2 2.74Å; E165-R346 PolarHBondContact OE1-NH2 2.73Å; E165-R346 IonicContact OE2-NH2 2.67Å
166G87.3Confident93.9Very high7 Ų736.7 Ų36.77%0.07219%0.192CC..THydrogen-bonded Turntrans84.1-14.4-170.600000114.4E54E54-G166 VanDerWaalsContact CD-N 3.3Å; E54-G166 PolarHBondContact OE1-N 2.66Å; E54-G166 WeakPolarHBondContact OE2-CA 3.28Å; E54-G166 PolarHBondContact OE2-N 3.27Å; E54-G166 VanDerWaalsContact OE2-N 3.09Å
167T91.4Very high93.9Very high56 Ų5640.3 Ų40.334%0.34421%0.205SC..SBendtrans-130.314.2175.454.50000113.3E54 A164 E165 I169 K170 D171E54-T167 PolarHBondContact OE2-N 3.13Å; A164-T167 CarbonylContact O-C 3.48Å; A164-T167 PolarHBondContact O-N 3.1Å; A164-T167 PolarHBondContact O-OG1 3.01Å; E165-T167 VanDerWaalsContact C-N 3.26Å; E165-T167 PolarHBondContact O-N 3.48Å; T167-I169 VanDerWaalsContact C-N 3.33Å; T167-I169 PolarHBondContact O-N 2.67Å; T167-I169 VanDerWaalsContact O-N 3.16Å; T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.69Å; T167-D171 VanDerWaalsContact O-CG 3.28Å; T167-D171 PolarHBondContact O-N 3.43Å; T167-D171 PolarHBondContact OG1-OD2 2.68Å
168A92.2Very high93.9Very high1 Ų140.8 Ų40.81%0.00821%0.208CC..Hα-helixtrans-56.9-43.3-165.100000113.4E54 L163 A164 K170 D171 L172E54-A168 HydrophobicContact CG-CB 4.06Å; E54-A168 WeakPolarHBondContact OE2-CB 3.41Å; E54-A168 PolarHBondContact OE2-N 2.95Å; L163-A168 HydrophobicContact CB-CB 4.35Å; L163-A168 HydrophobicContact CD1-CB 3.96Å; L163-A168 HydrophobicContact CD2-CB 4.31Å; L163-A168 HydrophobicContact CG-CB 4.43Å; A164-A168 PolarHBondContact O-N 3.26Å; A164-A168 VanDerWaalsContact O-N 3.13Å; A168-K170 PolarHBondContact O-N 3.24Å; A168-D171 PolarHBondContact O-N 2.7Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 WeakPolarHBondContact O-CD1 3.3Å; A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.14Å; A168-L172 PolarHBondContact O-N 3Å
169I96.2Very high93.9Very high9 Ų941.4 Ų41.45%0.04621%0.212CC..Hα-helixtrans-67.4-37.1-179-60.3-56.6000112.3V22 P55 L57 V60 T167 K173V22-I169 HydrophobicContact CG2-CD1 4.17Å; P55-I169 WeakPolarHBondContact O-CG1 3.48Å; L57-I169 HydrophobicContact CB-CD1 4.03Å; L57-I169 HydrophobicContact CB-CG1 4.03Å; L57-I169 HydrophobicContact CD1-CD1 3.81Å; V60-I169 HydrophobicContact CG2-CG2 4.11Å; T167-I169 VanDerWaalsContact C-N 3.33Å; T167-I169 PolarHBondContact O-N 2.67Å; T167-I169 VanDerWaalsContact O-N 3.16Å; I169-K173 HydrophobicContact CG2-CD 4.08Å; I169-K173 WeakPolarHBondContact O-CB 3.41Å; I169-K173 VanDerWaalsContact O-CG 3.26Å; I169-K173 WeakPolarHBondContact O-CG 3.35Å; I169-K173 PolarHBondContact O-N 2.74Å; I169-K173 VanDerWaalsContact O-N 3.15Å
170K96.4Very high94Very high153 Ų15341.4 Ų41.467%0.66521%0.211SC*.Hα-helixtrans-66.6-46176.4-178.9-177.5174.6-177.20110.1T167 A168 L172 K173 N174T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.69Å; A168-K170 PolarHBondContact O-N 3.24Å; K170-L172 VanDerWaalsContact C-N 3.35Å; K170-L172 PolarHBondContact O-N 3.35Å; K170-K173 PolarHBondContact O-N 2.98Å; K170-N174 PolarHBondContact O-N 2.95Å
171D95.9Very high94.2Very high44 Ų4441.2 Ų41.224%0.23521%0.21CC..Hα-helixtrans-65.6-37.9-177.5-59.6-21.8000111.5L163 A164 T167 A168 N174 P175L163-D171 HydrophobicContact CB-CB 4.13Å; A164-D171 PolarHBondContact N-OD2 3.15Å; T167-D171 VanDerWaalsContact O-CG 3.28Å; T167-D171 PolarHBondContact O-N 3.43Å; T167-D171 PolarHBondContact OG1-OD2 2.68Å; A168-D171 PolarHBondContact O-N 2.7Å; D171-N174 CarbonylContact O-C 3.48Å; D171-P175 WeakPolarHBondContact O-CA 3.41Å; D171-P175 WeakPolarHBondContact O-CB 3.2Å; D171-P175 VanDerWaalsContact O-N 3.1Å
172L97.1Very high94.5Very high16 Ų1640.5 Ų40.58%0.08421%0.207CC..Hα-helixtrans-71.9-34.5176.9-74167.1000113.6P18 T19 V22 L163 A168 K170 W202P18-L172 HydrophobicContact CB-CD1 3.77Å; T19-L172 HydrophobicContact CG2-CD2 4.33Å; V22-L172 HydrophobicContact CB-CB 4.26Å; V22-L172 HydrophobicContact CG1-CB 4.19Å; V22-L172 HydrophobicContact CG2-CB 3.9Å; V22-L172 HydrophobicContact CG2-CD1 3.95Å; L163-L172 HydrophobicContact CD2-CD1 4.09Å; L163-L172 HydrophobicContact CD2-CD2 4.3Å; L163-L172 HydrophobicContact CD2-CG 4.22Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 WeakPolarHBondContact O-CD1 3.3Å; A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.14Å; A168-L172 PolarHBondContact O-N 3Å; K170-L172 VanDerWaalsContact C-N 3.35Å; K170-L172 PolarHBondContact O-N 3.35Å; L172-W202 PolarHBondContact O-NE1 3.1Å
173K97.6Very high94.7Very high88 Ų8839.7 Ų39.738%0.38321%0.205SC..Hα-helixtrans-78.7-33.7179.6-74.4-177.5177.2174.50113V22 M26 I169 K170V22-K173 HydrophobicContact CG1-CG 4.36Å; M26-K173 HydrophobicContact CE-CB 4.36Å; M26-K173 HydrophobicContact CE-CD 4.23Å; M26-K173 HydrophobicContact CE-CG 3.74Å; I169-K173 HydrophobicContact CG2-CD 4.08Å; I169-K173 WeakPolarHBondContact O-CB 3.41Å; I169-K173 VanDerWaalsContact O-CG 3.26Å; I169-K173 WeakPolarHBondContact O-CG 3.35Å; I169-K173 PolarHBondContact O-N 2.74Å; I169-K173 VanDerWaalsContact O-N 3.15Å; K170-K173 PolarHBondContact O-N 2.98Å
174N97.3Very high95.2Very high102 Ų10245.7 Ų45.755%0.54523%0.232SC..SBendtrans-135.670.8178.8-17730.9000110K170 D171 K207K170-N174 PolarHBondContact O-N 2.95Å; D171-N174 CarbonylContact O-C 3.48Å; N174-K207 PolarHBondContact OD1-NZ 3.01Å
175P97.4Very high95.8Very high17 Ų1746.8 Ų46.811%0.1123%0.234CC..  trans-66.1150.8179.428.4-34.6000110.4D171 V178 V203 K207D171-P175 WeakPolarHBondContact O-CA 3.41Å; D171-P175 WeakPolarHBondContact O-CB 3.2Å; D171-P175 VanDerWaalsContact O-N 3.1Å; P175-V178 HydrophobicContact CB-CG2 4.47Å; P175-V178 HydrophobicContact CG-CG2 3.96Å; P175-V203 HydrophobicContact CG-CG1 4.03Å; P175-V203 HydrophobicContact CG-CG2 3.85Å; P175-K207 WeakPolarHBondContact O-CD 3.44Å; P175-K207 PolarHBondContact O-NZ 2.75Å
176D97.2Very high96.4Very high122 Ų12250.5 Ų50.565%0.65226%0.26SS*.SBendtrans-63.7-39.5165.6-71.6-24.7000109.9
177R97.8Very high96.9Very high80 Ų8053 Ų5330%0.30227%0.27SS..  trans-158.2152175.573.1-61.5-174171.70.5111.5K207 L209R177-K207 CarbonylContact C-O 3.46Å; R177-K207 VanDerWaalsContact CA-O 3.22Å; R177-K207 WeakPolarHBondContact CA-O 3.05Å; R177-L209 HydrophobicContact CB-CD1 4.19Å; R177-L209 HydrophobicContact CB-CG 4.5Å; R177-L209 HydrophobicContact CG-CD1 4.3Å
178V98.4Very high97.2Very high11 Ų1150.4 Ų50.47%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-103.8135.8160.5174.60000107.3P175 I180 Y199 V203 K207 I208 L209P175-V178 HydrophobicContact CB-CG2 4.47Å; P175-V178 HydrophobicContact CG-CG2 3.96Å; V178-I180 HydrophobicContact CG1-CD1 4.18Å; V178-I180 HydrophobicContact CG1-CG1 4.06Å; V178-Y199 HydrophobicContact CG1-CD1 4.1Å; V178-Y199 HydrophobicContact CG1-CD2 3.79Å; V178-Y199 HydrophobicContact CG1-CE1 4.18Å; V178-Y199 HydrophobicContact CG1-CE2 3.85Å; V178-Y199 HydrophobicContact CG1-CG 3.91Å; V178-Y199 HydrophobicContact CG2-CD1 3.83Å; V178-Y199 HydrophobicContact CG2-CE1 4.12Å; V178-Y199 HydrophobicContact CG2-CG 4.27Å; V178-V203 HydrophobicContact CG2-CB 4.48Å; V178-V203 HydrophobicContact CG2-CG1 3.98Å; V178-V203 HydrophobicContact CG2-CG2 4.09Å; V178-K207 PolarHBondContact N-O 2.86Å; V178-I208 HydrophobicContact CB-CG1 4.38Å; V178-I208 HydrophobicContact CG1-CG2 4.49Å; V178-L209 PolarHBondContact O-N 3.42Å
179L98.2Very high97.5Very high13 Ų1353.7 Ų53.77%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-117.5126178.8-174.562.7000109.8N159 P160 F162 L209 T211N159-L179 WeakPolarHBondContact CA-O 3.34Å; N159-L179 PolarHBondContact ND2-O 3.04Å; P160-L179 HydrophobicContact CG-CD2 4.48Å; F162-L179 HydrophobicContact CE2-CB 3.81Å; F162-L179 HydrophobicContact CE2-CD2 4.36Å; F162-L179 HydrophobicContact CZ-CB 4.33Å; F162-L179 HydrophobicContact CZ-CD2 4.05Å; L179-L209 WeakPolarHBondContact CA-O 3.21Å; L179-L209 HydrophobicContact CD1-CB 3.87Å; L179-T211 HydrophobicContact CD1-CG2 3.9Å
180I98.6Very high97.6Very high0 Ų059.2 Ų59.20%029%0.29CS..EExtended strand (participates in β ladder)trans-128.1118180-59.4168.4000108.8L157 S158 V178 V192 L195 Y199 I208 L209 T210 T211L157-I180 HydrophobicContact CD1-CG2 4.43Å; S158-I180 CarbonylContact O-C 3.6Å; S158-I180 WeakPolarHBondContact O-CA 3.31Å; V178-I180 HydrophobicContact CG1-CD1 4.18Å; V178-I180 HydrophobicContact CG1-CG1 4.06Å; I180-V192 HydrophobicContact CG2-CB 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.01Å; I180-V192 HydrophobicContact CG2-CG2 4.16Å; I180-L195 HydrophobicContact CD1-CB 4.32Å; I180-L195 HydrophobicContact CD1-CD2 4.08Å; I180-L195 HydrophobicContact CD1-CG 3.91Å; I180-L195 HydrophobicContact CG1-CD2 4.09Å; I180-L195 HydrophobicContact CG1-CG 4.47Å; I180-L195 HydrophobicContact CG2-CD2 4.02Å; I180-Y199 HydrophobicContact CD1-CD2 4.08Å; I180-Y199 HydrophobicContact CD1-CE2 4.48Å; I180-I208 HydrophobicContact CD1-CG2 3.96Å; I180-L209 PolarHBondContact N-O 2.98Å; I180-T210 CarbonylContact O-C 3.54Å; I180-T210 VanDerWaalsContact O-CA 3.29Å; I180-T210 WeakPolarHBondContact O-CA 3.31Å; I180-T211 PolarHBondContact O-N 2.78Å
181G97.9Very high97.8Very high0 Ų051.9 Ų51.90%026%0.258CS..EExtended strand (participates in β ladder)trans-99.1132.4171.900000111.4L157 S158 T211 S216L157-G181 CarbonylContact C-O 3.57Å; L157-G181 VanDerWaalsContact CA-O 3.23Å; L157-G181 WeakPolarHBondContact CA-O 3.39Å; L157-G181 WeakPolarHBondContact CB-O 3.46Å; S158-G181 PolarHBondContact N-O 2.99Å; S158-G181 PolarHBondContact O-N 2.84Å; G181-T211 CarbonylContact C-O 3.58Å; G181-T211 VanDerWaalsContact CA-O 3.27Å; G181-T211 WeakPolarHBondContact CA-O 3.38Å; G181-S216 PolarHBondContact N-OG 2.88Å
182G97.6Very high97.9Very high0 Ų049.8 Ų49.80%025%0.247CC..  trans-150.5174.9172.500000111.6T211 N212G182-T211 PolarHBondContact N-O 2.83Å; G182-N212 VanDerWaalsContact O-CA 3.28Å; G182-N212 WeakPolarHBondContact O-CA 3.11Å
183D96.3Very high98Very high27 Ų2752.9 Ų52.914%0.14426%0.261CS..  trans-73.1150.2180-57.7-32.1000112.7R141 T185 Q189R141-D183 IonicContact CZ-OD1 3.16Å; R141-D183 VanDerWaalsContact CZ-OD1 3.26Å; R141-D183 IonicContact CZ-OD2 2.77Å; R141-D183 VanDerWaalsContact NH1-CG 3.27Å; R141-D183 IonicContact NH1-OD1 3.23Å; R141-D183 PolarHBondContact NH1-OD1 2.99Å; R141-D183 IonicContact NH1-OD2 3.26Å; R141-D183 PolarHBondContact NH1-OD2 3.08Å; R141-D183 IonicContact NH2-OD1 2.66Å; R141-D183 PolarHBondContact NH2-OD1 3.02Å; R141-D183 IonicContact NH2-OD2 3.85Å; R141-D183 PolarHBondContact NH2-OD2 3.15Å; D183-T185 HydrophobicContact CB-CG2 4.1Å; D183-T185 PolarHBondContact O-N 3.21Å; D183-Q189 PolarHBondContact O-NE2 3.4Å
184E97.3Very high98Very high154 Ų15449 Ų4972%0.7225%0.245SC*.SBendtrans-79.245.2171.4-62177.6-169.300111.2
185T98.2Very high98.1Very high63 Ų6344.1 Ų44.139%0.38722%0.219SC..SBendtrans-121158.9175.568.80000110.3D183 E187 G188 Q189D183-T185 HydrophobicContact CB-CG2 4.1Å; D183-T185 PolarHBondContact O-N 3.21Å; T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 PolarHBondContact O-N 2.88Å; T185-G188 PolarHBondContact O-N 3.47Å; T185-G188 PolarHBondContact OG1-N 3.44Å; T185-G188 VanDerWaalsContact OG1-N 3.13Å; T185-Q189 WeakPolarHBondContact O-CG 3.44Å; T185-Q189 PolarHBondContact O-N 3.33Å
186P98.4Very high98.2Very high97 Ų9743.5 Ų43.563%0.6322%0.215SC*.Hα-helixtrans-56.1-36.2178.2-28.136000114.3R190P186-R190 WeakPolarHBondContact O-CG 3.06Å; P186-R190 PolarHBondContact O-N 3.37Å; P186-R190 PolarHBondContact O-NH1 2.91Å
187E97.7Very high98.2Very high60 Ų6039.7 Ų39.728%0.2820%0.2SC..Hα-helixtrans-73.5-43.4176.1-72.7-69.517600112.3T185 Q189 R190 A191T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 PolarHBondContact O-N 2.88Å; E187-Q189 VanDerWaalsContact C-N 3.33Å; E187-Q189 PolarHBondContact O-N 3.28Å; E187-R190 WeakPolarHBondContact O-CB 3.47Å; E187-R190 PolarHBondContact O-N 3.27Å; E187-R190 IonicContact OE1-CZ 3.65Å; E187-R190 IonicContact OE1-NE 3.89Å; E187-R190 IonicContact OE1-NH2 3.73Å; E187-R190 PolarHBondContact OE1-NH2 3.4Å; E187-R190 IonicContact OE2-CZ 3.41Å; E187-R190 IonicContact OE2-NE 2.99Å; E187-R190 PolarHBondContact OE2-NE 2.86Å; E187-R190 IonicContact OE2-NH2 2.78Å; E187-R190 PolarHBondContact OE2-NH2 3.3Å; E187-R190 VanDerWaalsContact OE2-NH2 3.16Å; E187-A191 PolarHBondContact O-N 2.79Å
188G98.2Very high98.3Very high1 Ų136.1 Ų36.11%0.0119%0.187CC..Hα-helixtrans-59.9-44.3176.900000111.6T185 R190 A191 V192T185-G188 PolarHBondContact O-N 3.47Å; T185-G188 PolarHBondContact OG1-N 3.44Å; T185-G188 VanDerWaalsContact OG1-N 3.13Å; G188-R190 PolarHBondContact O-N 3.2Å; G188-A191 PolarHBondContact O-N 3.44Å; G188-V192 WeakPolarHBondContact O-CG2 3.26Å; G188-V192 PolarHBondContact O-N 2.81Å
189Q98.6Very high98.3Very high71 Ų7136 Ų3633%0.33219%0.186SC..Hα-helixtrans-66-36176.4-65-55.5-58.500112.4D183 T185 E187 V192 Q193D183-Q189 PolarHBondContact O-NE2 3.4Å; T185-Q189 WeakPolarHBondContact O-CG 3.44Å; T185-Q189 PolarHBondContact O-N 3.33Å; E187-Q189 VanDerWaalsContact C-N 3.33Å; E187-Q189 PolarHBondContact O-N 3.28Å; Q189-V192 PolarHBondContact O-N 3.05Å; Q189-Q193 VanDerWaalsContact O-CG 3.27Å; Q189-Q193 WeakPolarHBondContact O-CG 3.44Å; Q189-Q193 PolarHBondContact O-N 3.15Å
190R98.6Very high98.3Very high124 Ų12439.2 Ų39.247%0.46820%0.2SC..Hα-helixtrans-60.7-43.9171.4-81.2-170.9-71.3-92.923.2112P186 E187 G188 Q193 A194P186-R190 WeakPolarHBondContact O-CG 3.06Å; P186-R190 PolarHBondContact O-N 3.37Å; P186-R190 PolarHBondContact O-NH1 2.91Å; E187-R190 WeakPolarHBondContact O-CB 3.47Å; E187-R190 PolarHBondContact O-N 3.27Å; E187-R190 IonicContact OE1-CZ 3.65Å; E187-R190 IonicContact OE1-NE 3.89Å; E187-R190 IonicContact OE1-NH2 3.73Å; E187-R190 PolarHBondContact OE1-NH2 3.4Å; E187-R190 IonicContact OE2-CZ 3.41Å; E187-R190 IonicContact OE2-NE 2.99Å; E187-R190 PolarHBondContact OE2-NE 2.86Å; E187-R190 IonicContact OE2-NH2 2.78Å; E187-R190 PolarHBondContact OE2-NH2 3.3Å; E187-R190 VanDerWaalsContact OE2-NH2 3.16Å; G188-R190 PolarHBondContact O-N 3.2Å; R190-Q193 PolarHBondContact O-N 3.46Å; R190-A194 PolarHBondContact O-N 3.49Å
191A98.7Very high98.3Very high0 Ų043.9 Ų43.90%022%0.222CC..Hα-helixtrans-64.8-43.4177.600000112I125 Q155 L157 E187 G188 Q193 A194 L195I125-A191 HydrophobicContact CD1-CB 3.95Å; I125-A191 HydrophobicContact CG1-CB 3.93Å; I125-A191 HydrophobicContact CG2-CB 4.23Å; Q155-A191 HydrophobicContact CB-CB 3.66Å; Q155-A191 HydrophobicContact CG-CB 4.05Å; L157-A191 HydrophobicContact CD1-CB 4.27Å; L157-A191 HydrophobicContact CD2-CB 4.06Å; L157-A191 HydrophobicContact CG-CB 4.36Å; E187-A191 PolarHBondContact O-N 2.79Å; G188-A191 PolarHBondContact O-N 3.44Å; A191-Q193 PolarHBondContact O-N 2.67Å; A191-A194 PolarHBondContact O-N 3.12Å; A191-L195 PolarHBondContact O-N 3.45Å; A191-L195 VanDerWaalsContact O-N 3.09Å
192V98.8Very high98.4Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-56.8-50.8174.3169.40000110.6L157 I180 G188 Q189 A194 L195 C196 T210L157-V192 HydrophobicContact CD2-CG2 3.68Å; I180-V192 HydrophobicContact CG2-CB 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.01Å; I180-V192 HydrophobicContact CG2-CG2 4.16Å; G188-V192 WeakPolarHBondContact O-CG2 3.26Å; G188-V192 PolarHBondContact O-N 2.81Å; Q189-V192 PolarHBondContact O-N 3.05Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 2.71Å; V192-L195 PolarHBondContact O-N 3.28Å; V192-L195 VanDerWaalsContact O-N 3.15Å; V192-C196 PolarHBondContact O-N 2.99Å; V192-C196 PolarHBondContact O-SG 2.89Å; V192-T210 HydrophobicContact CG1-CG2 3.48Å; V192-T210 VanDerWaalsContact CG1-CG2 3.48Å
193Q98.8Very high98.4Very high81 Ų8146.1 Ų46.138%0.37923%0.231SC..Hα-helixtrans-63.5-36.2-179.3-67.2-56.9-43.400112.5Q189 R190 A191 L195 C196 A197Q189-Q193 VanDerWaalsContact O-CG 3.27Å; Q189-Q193 WeakPolarHBondContact O-CG 3.44Å; Q189-Q193 PolarHBondContact O-N 3.15Å; R190-Q193 PolarHBondContact O-N 3.46Å; A191-Q193 PolarHBondContact O-N 2.67Å; Q193-L195 VanDerWaalsContact C-N 3.34Å; Q193-L195 PolarHBondContact O-N 2.7Å; Q193-C196 PolarHBondContact O-N 2.95Å; Q193-A197 PolarHBondContact O-N 2.92Å
194A98.8Very high98.5Very high5 Ų547.5 Ų47.54%0.04124%0.241CC..Hα-helixtrans-62.8-40.6174.600000112F2 I4 I125 R190 A191 V192 A197 V198F2-A194 HydrophobicContact CD1-CB 3.87Å; I4-A194 HydrophobicContact CD1-CB 4.03Å; I4-A194 HydrophobicContact CG1-CB 4.32Å; I125-A194 HydrophobicContact CD1-CB 3.73Å; R190-A194 PolarHBondContact O-N 3.49Å; A191-A194 PolarHBondContact O-N 3.12Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 2.71Å; A194-A197 PolarHBondContact O-N 3.46Å; A194-V198 PolarHBondContact O-N 2.88Å
195L98.8Very high98.5Very high1 Ų146.5 Ų46.51%0.00523%0.234CC..Hα-helixtrans-71.4-38175-176.159.9000112.3L84 F86 T127 L157 N159 I180 A191 V192 Q193 A197 V198 Y199L84-L195 HydrophobicContact CD2-CD1 3.84Å; F86-L195 HydrophobicContact CZ-CD1 4.05Å; T127-L195 HydrophobicContact CG2-CD2 3.95Å; L157-L195 HydrophobicContact CD1-CB 3.99Å; L157-L195 HydrophobicContact CD1-CD2 3.84Å; N159-L195 HydrophobicContact CB-CD2 4.08Å; I180-L195 HydrophobicContact CD1-CB 4.32Å; I180-L195 HydrophobicContact CD1-CD2 4.08Å; I180-L195 HydrophobicContact CD1-CG 3.91Å; I180-L195 HydrophobicContact CG1-CD2 4.09Å; I180-L195 HydrophobicContact CG1-CG 4.47Å; I180-L195 HydrophobicContact CG2-CD2 4.02Å; A191-L195 PolarHBondContact O-N 3.45Å; A191-L195 VanDerWaalsContact O-N 3.09Å; V192-L195 PolarHBondContact O-N 3.28Å; V192-L195 VanDerWaalsContact O-N 3.15Å; Q193-L195 VanDerWaalsContact C-N 3.34Å; Q193-L195 PolarHBondContact O-N 2.7Å; L195-A197 VanDerWaalsContact C-N 3.29Å; L195-A197 PolarHBondContact O-N 3.34Å; L195-V198 WeakPolarHBondContact O-CB 3.08Å; L195-V198 PolarHBondContact O-N 3.15Å; L195-Y199 HydrophobicContact CD1-CD2 4.22Å; L195-Y199 HydrophobicContact CD1-CE2 3.91Å; L195-Y199 HydrophobicContact CD2-CE2 4.48Å; L195-Y199 HydrophobicContact CG-CD2 4.16Å; L195-Y199 HydrophobicContact CG-CE2 4.03Å; L195-Y199 WeakPolarHBondContact O-CD2 3.34Å; L195-Y199 PolarHBondContact O-N 3.07Å
196C98.8Very high98.5Very high4 Ų450.7 Ų50.73%0.02725%0.249CC..Hα-helixtrans-55.8-46.3172-67.80000110.7V192 Q193 V198 Y199 E200 I208V192-C196 PolarHBondContact O-N 2.99Å; V192-C196 PolarHBondContact O-SG 2.89Å; Q193-C196 PolarHBondContact O-N 2.95Å; C196-V198 PolarHBondContact O-N 2.93Å; C196-Y199 CarbonylContact O-C 3.5Å; C196-Y199 PolarHBondContact O-N 3.4Å; C196-E200 WeakPolarHBondContact O-CG 3.42Å; C196-E200 PolarHBondContact O-N 2.91Å; C196-I208 HydrophobicContact CB-CG2 4.44Å
197A98.7Very high98.6Very high42 Ų4248.6 Ų48.635%0.34723%0.231SC..Hα-helixtrans-57.4-34.6179.400000112.9Q193 A194 L195 H201Q193-A197 PolarHBondContact O-N 2.92Å; A194-A197 PolarHBondContact O-N 3.46Å; L195-A197 VanDerWaalsContact C-N 3.29Å; L195-A197 PolarHBondContact O-N 3.34Å; A197-H201 PolarHBondContact O-CE1 3.28Å; A197-H201 PolarHBondContact O-ND1 2.86Å
198V98.8Very high98.6Very high4 Ų446.5 Ų46.52%0.02422%0.221CC..Hα-helixtrans-62.9-52.5172.4177.70000110.3I4 I7 I23 I30 A194 L195 C196 E200 H201 W202I4-V198 HydrophobicContact CB-CG2 4.1Å; I4-V198 HydrophobicContact CD1-CG2 3.85Å; I4-V198 HydrophobicContact CG2-CG2 4.34Å; I7-V198 HydrophobicContact CD1-CG1 4.43Å; I23-V198 HydrophobicContact CG2-CG1 4.05Å; I30-V198 HydrophobicContact CD1-CG1 4.19Å; I30-V198 HydrophobicContact CD1-CG2 4Å; A194-V198 PolarHBondContact O-N 2.88Å; L195-V198 WeakPolarHBondContact O-CB 3.08Å; L195-V198 PolarHBondContact O-N 3.15Å; C196-V198 PolarHBondContact O-N 2.93Å; V198-E200 VanDerWaalsContact C-N 3.33Å; V198-E200 PolarHBondContact O-N 2.84Å; V198-H201 WeakPolarHBondContact O-CB 3.36Å; V198-H201 PolarHBondContact O-N 3.05Å; V198-H201 PolarHBondContact O-ND1 3.15Å; V198-W202 HydrophobicContact CG1-CZ3 4.45Å; V198-W202 WeakPolarHBondContact O-CZ3 3.46Å
199Y98.8Very high98.6Very high10 Ų1050.9 Ų50.94%0.03924%0.244CC..Hα-helixtrans-64.3-33.6-179.7-79.5-70.6000113.7N159 V178 I180 L195 C196 H201 W202 V203N159-Y199 PolarHBondContact OD1-OH 3.35Å; V178-Y199 HydrophobicContact CG1-CD1 4.1Å; V178-Y199 HydrophobicContact CG1-CD2 3.79Å; V178-Y199 HydrophobicContact CG1-CE1 4.18Å; V178-Y199 HydrophobicContact CG1-CE2 3.85Å; V178-Y199 HydrophobicContact CG1-CG 3.91Å; V178-Y199 HydrophobicContact CG2-CD1 3.83Å; V178-Y199 HydrophobicContact CG2-CE1 4.12Å; V178-Y199 HydrophobicContact CG2-CG 4.27Å; I180-Y199 HydrophobicContact CD1-CD2 4.08Å; I180-Y199 HydrophobicContact CD1-CE2 4.48Å; L195-Y199 HydrophobicContact CD1-CD2 4.22Å; L195-Y199 HydrophobicContact CD1-CE2 3.91Å; L195-Y199 HydrophobicContact CD2-CE2 4.48Å; L195-Y199 HydrophobicContact CG-CD2 4.16Å; L195-Y199 HydrophobicContact CG-CE2 4.03Å; L195-Y199 WeakPolarHBondContact O-CD2 3.34Å; L195-Y199 PolarHBondContact O-N 3.07Å; C196-Y199 CarbonylContact O-C 3.5Å; C196-Y199 PolarHBondContact O-N 3.4Å; Y199-H201 PolarHBondContact O-N 3.43Å; Y199-W202 AromaticContact CD1-CH2 3.57Å; Y199-W202 HydrophobicContact CD1-CH2 3.57Å; Y199-W202 AromaticContact CD1-CZ2 3.48Å; Y199-W202 HydrophobicContact CD1-CZ2 3.48Å; Y199-W202 VanDerWaalsContact CD1-CZ2 3.48Å; Y199-W202 AromaticContact CE1-CH2 3.92Å; Y199-W202 HydrophobicContact CE1-CH2 3.92Å; Y199-W202 AromaticContact CE1-CZ2 3.74Å; Y199-W202 HydrophobicContact CE1-CZ2 3.74Å; Y199-W202 HydrophobicContact CG-CH2 4.35Å; Y199-W202 PolarHBondContact O-N 3.09Å; Y199-W202 VanDerWaalsContact O-N 3.12Å; Y199-V203 HydrophobicContact CD1-CG2 4.24Å; Y199-V203 WeakPolarHBondContact O-CB 3.41Å; Y199-V203 PolarHBondContact O-N 3.4Å
200E98.6Very high98.6Very high80 Ų8050.9 Ų50.937%0.37425%0.249SC..THydrogen-bonded Turntrans-62.5-11.1179.7-75-179-162.900113.6C196 V198 W202 K205 I208C196-E200 WeakPolarHBondContact O-CG 3.42Å; C196-E200 PolarHBondContact O-N 2.91Å; V198-E200 VanDerWaalsContact C-N 3.33Å; V198-E200 PolarHBondContact O-N 2.84Å; E200-W202 PolarHBondContact O-N 3.4Å; E200-K205 IonicContact OE1-NZ 3.69Å; E200-I208 HydrophobicContact CG-CD1 3.51Å
201H98.6Very high98.6Very high98 Ų9847.2 Ų47.245%0.45424%0.24SC..THydrogen-bonded Turntrans-64.5-26.2172.2-72.269.9000113E29 A197 V198 Y199E29-H201 IonicContact OE1-CD2 3.41Å; E29-H201 PolarHBondContact OE1-CD2 3.01Å; E29-H201 IonicContact OE1-NE2 2.79Å; E29-H201 PolarHBondContact OE1-NE2 3.45Å; E29-H201 VanDerWaalsContact OE1-NE2 3.12Å; A197-H201 PolarHBondContact O-CE1 3.28Å; A197-H201 PolarHBondContact O-ND1 2.86Å; V198-H201 WeakPolarHBondContact O-CB 3.36Å; V198-H201 PolarHBondContact O-N 3.05Å; V198-H201 PolarHBondContact O-ND1 3.15Å; Y199-H201 PolarHBondContact O-N 3.43Å
202W98.7Very high98.5Very high43 Ų4349.5 Ų49.516%0.16325%0.252CS..THydrogen-bonded Turntrans-142.3-15.2178.275.396.3000114.9I23 M26 L172 V198 Y199 E200I23-W202 HydrophobicContact CG1-CH2 3.84Å; M26-W202 HydrophobicContact CB-CB 4.2Å; M26-W202 HydrophobicContact CB-CD2 3.72Å; M26-W202 HydrophobicContact CB-CE3 3.3Å; M26-W202 HydrophobicContact CB-CG 4.11Å; M26-W202 HydrophobicContact CB-CZ3 3.95Å; M26-W202 HydrophobicContact CE-CB 4.28Å; M26-W202 HydrophobicContact CE-CG 4.27Å; M26-W202 HydrophobicContact CG-CB 3.94Å; M26-W202 HydrophobicContact CG-CD2 3.65Å; M26-W202 HydrophobicContact CG-CE3 3.81Å; M26-W202 HydrophobicContact CG-CG 3.71Å; M26-W202 HydrophobicContact SD-CB 3.95Å; M26-W202 HydrophobicContact SD-CG 4.25Å; L172-W202 PolarHBondContact O-NE1 3.1Å; V198-W202 HydrophobicContact CG1-CZ3 4.45Å; V198-W202 WeakPolarHBondContact O-CZ3 3.46Å; Y199-W202 AromaticContact CD1-CH2 3.57Å; Y199-W202 HydrophobicContact CD1-CH2 3.57Å; Y199-W202 AromaticContact CD1-CZ2 3.48Å; Y199-W202 HydrophobicContact CD1-CZ2 3.48Å; Y199-W202 VanDerWaalsContact CD1-CZ2 3.48Å; Y199-W202 AromaticContact CE1-CH2 3.92Å; Y199-W202 HydrophobicContact CE1-CH2 3.92Å; Y199-W202 AromaticContact CE1-CZ2 3.74Å; Y199-W202 HydrophobicContact CE1-CZ2 3.74Å; Y199-W202 HydrophobicContact CG-CH2 4.35Å; Y199-W202 PolarHBondContact O-N 3.09Å; Y199-W202 VanDerWaalsContact O-N 3.12Å; E200-W202 PolarHBondContact O-N 3.4Å
203V98.6Very high98.3Very high3 Ų350.8 Ų50.82%0.01826%0.26CS..SBendtrans-101123178.8-174.90000109.3P175 V178 Y199 K205 K207 I208P175-V203 HydrophobicContact CG-CG1 4.03Å; P175-V203 HydrophobicContact CG-CG2 3.85Å; V178-V203 HydrophobicContact CG2-CB 4.48Å; V178-V203 HydrophobicContact CG2-CG1 3.98Å; V178-V203 HydrophobicContact CG2-CG2 4.09Å; Y199-V203 HydrophobicContact CD1-CG2 4.24Å; Y199-V203 WeakPolarHBondContact O-CB 3.41Å; Y199-V203 PolarHBondContact O-N 3.4Å; V203-K205 PolarHBondContact O-N 3.43Å; V203-K207 HydrophobicContact CG1-CB 3.87Å; V203-I208 HydrophobicContact CB-CD1 4.43Å; V203-I208 HydrophobicContact CB-CG1 4.38Å; V203-I208 HydrophobicContact CG1-CD1 4.47Å; V203-I208 HydrophobicContact CG1-CG1 3.91Å
204P98.4Very high98.1Very high56 Ų5651.6 Ų51.636%0.36426%0.26SS..  trans-56.7139.2173.6-2433.1000111.9E206 K207P204-E206 HydrophobicContact CB-CG 4.38Å; P204-E206 WeakPolarHBondContact CB-OE1 3.19Å; P204-E206 VanDerWaalsContact CB-OE2 3.22Å; P204-E206 WeakPolarHBondContact CB-OE2 3.45Å; P204-E206 PolarHBondContact O-N 3.27Å; P204-K207 WeakPolarHBondContact O-CB 3.44Å; P204-K207 PolarHBondContact O-N 3.23Å
205K97.9Very high97.9Very high133 Ų13353.3 Ų53.358%0.57827%0.272SS*.G310 helixtrans-57.9-35-173.4-174.4168.8-172.1157.50113.1E200 V203 K207 I208E200-K205 IonicContact OE1-NZ 3.69Å; V203-K205 PolarHBondContact O-N 3.43Å; K205-K207 PolarHBondContact O-N 2.88Å; K205-I208 PolarHBondContact O-N 3.4Å
206E98.3Very high97.8Very high151 Ų15153.3 Ų53.371%0.70627%0.272SS*.G310 helixtrans-64-17.9176.568.8-84-164.900113.8P204P204-E206 HydrophobicContact CB-CG 4.38Å; P204-E206 WeakPolarHBondContact CB-OE1 3.19Å; P204-E206 VanDerWaalsContact CB-OE2 3.22Å; P204-E206 WeakPolarHBondContact CB-OE2 3.45Å; P204-E206 PolarHBondContact O-N 3.27Å
207K98.5Very high97.5Very high54 Ų5453.2 Ų53.224%0.23527%0.271CS..G310 helixtrans-92.8-3.1173.1-63.8-169.7173-1690113.1N174 P175 R177 V178 V203 P204 K205N174-K207 PolarHBondContact OD1-NZ 3.01Å; P175-K207 WeakPolarHBondContact O-CD 3.44Å; P175-K207 PolarHBondContact O-NZ 2.75Å; R177-K207 CarbonylContact C-O 3.46Å; R177-K207 VanDerWaalsContact CA-O 3.22Å; R177-K207 WeakPolarHBondContact CA-O 3.05Å; V178-K207 PolarHBondContact N-O 2.86Å; V203-K207 HydrophobicContact CG1-CB 3.87Å; P204-K207 WeakPolarHBondContact O-CB 3.44Å; P204-K207 PolarHBondContact O-N 3.23Å; K205-K207 PolarHBondContact O-N 2.88Å
208I98.7Very high97.3Very high16 Ų1654.3 Ų54.38%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-98.8106.2178.6-53.4176.9000108.6V178 I180 C196 E200 V203 K205V178-I208 HydrophobicContact CB-CG1 4.38Å; V178-I208 HydrophobicContact CG1-CG2 4.49Å; I180-I208 HydrophobicContact CD1-CG2 3.96Å; C196-I208 HydrophobicContact CB-CG2 4.44Å; E200-I208 HydrophobicContact CG-CD1 3.51Å; V203-I208 HydrophobicContact CB-CD1 4.43Å; V203-I208 HydrophobicContact CB-CG1 4.38Å; V203-I208 HydrophobicContact CG1-CD1 4.47Å; V203-I208 HydrophobicContact CG1-CG1 3.91Å; K205-I208 PolarHBondContact O-N 3.4Å
209L98.7Very high97.1Very high92 Ų9256.8 Ų56.848%0.48229%0.288SS..EExtended strand (participates in β ladder)trans-94.7122.4179-59179000109.8R177 V178 L179 I180R177-L209 HydrophobicContact CB-CD1 4.19Å; R177-L209 HydrophobicContact CB-CG 4.5Å; R177-L209 HydrophobicContact CG-CD1 4.3Å; V178-L209 PolarHBondContact O-N 3.42Å; L179-L209 WeakPolarHBondContact CA-O 3.21Å; L179-L209 HydrophobicContact CD1-CB 3.87Å; I180-L209 PolarHBondContact N-O 2.98Å
210T98.7Very high96.8Very high71 Ų7156.6 Ų56.644%0.43629%0.288SS..EExtended strand (participates in β ladder)trans-106.3135.3175.158.90000110.7I180 V192I180-T210 CarbonylContact O-C 3.54Å; I180-T210 VanDerWaalsContact O-CA 3.29Å; I180-T210 WeakPolarHBondContact O-CA 3.31Å; V192-T210 HydrophobicContact CG1-CG2 3.48Å; V192-T210 VanDerWaalsContact CG1-CG2 3.48Å
211T98.3Very high96.5Very high48 Ų4852.8 Ų52.829%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-150.3-172.6179.6-171.30000110.4L179 I180 G181 G182 S215L179-T211 HydrophobicContact CD1-CG2 3.9Å; I180-T211 PolarHBondContact O-N 2.78Å; G181-T211 CarbonylContact C-O 3.58Å; G181-T211 VanDerWaalsContact CA-O 3.27Å; G181-T211 WeakPolarHBondContact CA-O 3.38Å; G182-T211 PolarHBondContact N-O 2.83Å; T211-S215 WeakPolarHBondContact OG1-CB 3.43Å
212N97.1Very high96.3Very high47 Ų4750.2 Ų50.225%0.25126%0.261SS..  trans-77.4161.5170.468.658000111.9G182 W214 S215 S216G182-N212 VanDerWaalsContact O-CA 3.28Å; G182-N212 WeakPolarHBondContact O-CA 3.11Å; N212-W214 PolarHBondContact O-N 3.1Å; N212-W214 PolarHBondContact OD1-N 3.43Å; N212-S215 PolarHBondContact ND2-OG 2.77Å; N212-S215 PolarHBondContact O-N 3.15Å; N212-S215 WeakPolarHBondContact OD1-CB 3.47Å; N212-S215 PolarHBondContact OD1-N 2.87Å; N212-S215 PolarHBondContact OD1-OG 3.41Å; N212-S215 VanDerWaalsContact OD1-OG 3.08Å; N212-S216 PolarHBondContact O-N 3.14Å
213T94.6Very high96.1Very high28 Ų2849.4 Ų49.417%0.17226%0.264CS..Hα-helixtrans-54.7-51.6-177.7440000112.2A137 S215 S216 E217A137-T213 HydrophobicContact CB-CG2 4.45Å; T213-S215 PolarHBondContact O-N 2.65Å; T213-S216 WeakPolarHBondContact O-CB 3.2Å; T213-S216 PolarHBondContact O-N 2.81Å; T213-S216 VanDerWaalsContact O-N 3.13Å; T213-E217 VanDerWaalsContact O-CG 3.32Å; T213-E217 WeakPolarHBondContact O-CG 3.41Å; T213-E217 PolarHBondContact O-N 2.73Å
214W93.6Very high95.9Very high97 Ų9749.8 Ų49.837%0.36727%0.265SS..Hα-helixtrans-60.5-43.9-178.2-168.6-104.4000113.4V134 R135 N212 S216 E217 L218V134-W214 HydrophobicContact CG1-CH2 4.07Å; R135-W214 HydrophobicContact CB-CZ3 4.19Å; R135-W214 HydrophobicContact CG-CH2 3.49Å; R135-W214 VanDerWaalsContact CG-CH2 3.49Å; R135-W214 HydrophobicContact CG-CZ3 3.37Å; N212-W214 PolarHBondContact O-N 3.1Å; N212-W214 PolarHBondContact OD1-N 3.43Å; W214-S216 VanDerWaalsContact C-N 3.31Å; W214-S216 PolarHBondContact O-N 2.83Å; W214-E217 PolarHBondContact O-N 2.83Å; W214-L218 WeakPolarHBondContact O-CB 3.43Å; W214-L218 PolarHBondContact O-N 2.81Å
215S95.6Very high95.8Very high42 Ų4247.1 Ų47.129%0.29425%0.248SC..Hα-helixtrans-62.3-38.9175.9-69.80000111.9T211 N212 T213 S219T211-S215 WeakPolarHBondContact OG1-CB 3.43Å; N212-S215 PolarHBondContact ND2-OG 2.77Å; N212-S215 PolarHBondContact O-N 3.15Å; N212-S215 WeakPolarHBondContact OD1-CB 3.47Å; N212-S215 PolarHBondContact OD1-N 2.87Å; N212-S215 PolarHBondContact OD1-OG 3.41Å; N212-S215 VanDerWaalsContact OD1-OG 3.08Å; T213-S215 PolarHBondContact O-N 2.65Å; S215-S219 VanDerWaalsContact O-CB 3.25Å; S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 3.29Å; S215-S219 PolarHBondContact O-OG 3.05Å
216S95.6Very high95.9Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-62.8-48.7175-172.10000111.5P160 G181 N212 T213 W214 S219 K220P160-S216 WeakPolarHBondContact CD-OG 3.37Å; G181-S216 PolarHBondContact N-OG 2.88Å; N212-S216 PolarHBondContact O-N 3.14Å; T213-S216 WeakPolarHBondContact O-CB 3.2Å; T213-S216 PolarHBondContact O-N 2.81Å; T213-S216 VanDerWaalsContact O-N 3.13Å; W214-S216 VanDerWaalsContact C-N 3.31Å; W214-S216 PolarHBondContact O-N 2.83Å; S216-S219 PolarHBondContact O-N 3.19Å; S216-K220 PolarHBondContact O-N 2.88Å
217E93.3Very high95.8Very high3 Ų341.4 Ų41.41%0.01422%0.223CC..Hα-helixtrans-58.7-54.2179.5-70.8-154.3154.300111.7P133 R135 A136 A137 T213 W214 S219 K220 L221P133-E217 HydrophobicContact CB-CB 3.94Å; P133-E217 HydrophobicContact CB-CG 3.58Å; P133-E217 HydrophobicContact CG-CB 3.95Å; P133-E217 HydrophobicContact CG-CG 4.06Å; P133-E217 VanDerWaalsContact O-CB 3.31Å; P133-E217 WeakPolarHBondContact O-CB 3.48Å; R135-E217 PolarHBondContact N-OE2 3.08Å; A136-E217 PolarHBondContact N-OE1 3.15Å; A137-E217 VanDerWaalsContact CB-OE1 3.28Å; A137-E217 WeakPolarHBondContact CB-OE1 3.06Å; A137-E217 PolarHBondContact N-OE1 2.81Å; T213-E217 VanDerWaalsContact O-CG 3.32Å; T213-E217 WeakPolarHBondContact O-CG 3.41Å; T213-E217 PolarHBondContact O-N 2.73Å; W214-E217 PolarHBondContact O-N 2.83Å; E217-S219 PolarHBondContact O-N 2.83Å; E217-K220 PolarHBondContact O-N 2.69Å; E217-L221 PolarHBondContact O-N 3.17Å
218L93.6Very high95.8Very high64 Ų6438.9 Ų38.934%0.33521%0.212SC..Hα-helixtrans-63.6-39.5-179.2-178.660.9000112.5W214 K220 L221 T222W214-L218 WeakPolarHBondContact O-CB 3.43Å; W214-L218 PolarHBondContact O-N 2.81Å; L218-K220 PolarHBondContact O-N 3.31Å; L218-L221 PolarHBondContact O-N 2.89Å; L218-T222 WeakPolarHBondContact O-CB 3.32Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 PolarHBondContact O-OG1 3.49Å; L218-T222 VanDerWaalsContact O-OG1 3.07Å
219S94.8Very high95.8Very high56 Ų5639.8 Ų39.839%0.39222%0.216SC..Hα-helixtrans-57.9-36.7178.9-650000112.2S215 S216 E217 A223S215-S219 VanDerWaalsContact O-CB 3.25Å; S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 3.29Å; S215-S219 PolarHBondContact O-OG 3.05Å; S216-S219 PolarHBondContact O-N 3.19Å; E217-S219 PolarHBondContact O-N 2.83Å; S219-A223 WeakPolarHBondContact O-CB 3.18Å; S219-A223 PolarHBondContact O-N 3.09Å
220K92.4Very high95.8Very high7 Ų738.3 Ų38.33%0.0320%0.204CC..Hα-helixtrans-66-49.1177.4175.158.8-175.7173.70111.5P160 E161 F162 S216 E217 L218 A223 N224P160-K220 HydrophobicContact CB-CB 3.69Å; P160-K220 HydrophobicContact CB-CD 4.07Å; P160-K220 HydrophobicContact CB-CG 3.84Å; P160-K220 HydrophobicContact CG-CB 3.98Å; E161-K220 WeakPolarHBondContact O-CE 3.46Å; E161-K220 PolarHBondContact O-NZ 3.33Å; F162-K220 HydrophobicContact CD1-CD 3.96Å; F162-K220 HydrophobicContact CE1-CD 3.58Å; F162-K220 HydrophobicContact CZ-CD 4.16Å; S216-K220 PolarHBondContact O-N 2.88Å; E217-K220 PolarHBondContact O-N 2.69Å; L218-K220 PolarHBondContact O-N 3.31Å; K220-A223 PolarHBondContact O-N 2.68Å; K220-N224 VanDerWaalsContact CE-ND2 3.29Å; K220-N224 WeakPolarHBondContact CE-ND2 3.46Å; K220-N224 PolarHBondContact NZ-ND2 2.84Å; K220-N224 PolarHBondContact NZ-OD1 3.45Å; K220-N224 PolarHBondContact O-N 3.48Å; K220-N224 VanDerWaalsContact O-N 3.11Å
221L92.2Very high95.8Very high0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-59.9-47.8179.9-168.668.1000111V134 E217 L218 N224 A225 D280 N283 L284 L287V134-L221 HydrophobicContact CG2-CD2 3.57Å; E217-L221 PolarHBondContact O-N 3.17Å; L218-L221 PolarHBondContact O-N 2.89Å; L221-N224 PolarHBondContact O-N 3.05Å; L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 3.37Å; L221-D280 HydrophobicContact CD1-CB 3.9Å; L221-D280 WeakPolarHBondContact CD1-O 3.25Å; L221-N283 HydrophobicContact CD1-CB 4.31Å; L221-L284 HydrophobicContact CD1-CB 4.44Å; L221-L284 HydrophobicContact CD2-CB 3.76Å; L221-L284 HydrophobicContact CD2-CD1 3.75Å; L221-L284 HydrophobicContact CD2-CG 4.31Å; L221-L284 HydrophobicContact CG-CB 3.96Å; L221-L284 HydrophobicContact CG-CD1 4.37Å; L221-L287 HydrophobicContact CD2-CD2 4.48Å
222T94.7Very high95.8Very high44 Ų4433.8 Ų33.827%0.2718%0.176SC..Hα-helixtrans-64.5-44.9178.4-57.40000111.5L218 N224 A225 F226L218-T222 WeakPolarHBondContact O-CB 3.32Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 PolarHBondContact O-OG1 3.49Å; L218-T222 VanDerWaalsContact O-OG1 3.07Å; T222-N224 VanDerWaalsContact C-N 3.33Å; T222-N224 PolarHBondContact O-N 2.72Å; T222-A225 PolarHBondContact O-N 2.81Å; T222-A225 VanDerWaalsContact O-N 3.15Å; T222-F226 HydrophobicContact CG2-CD2 3.64Å; T222-F226 HydrophobicContact CG2-CE2 3.56Å; T222-F226 VanDerWaalsContact O-CD2 3.31Å; T222-F226 WeakPolarHBondContact O-CD2 3.36Å; T222-F226 PolarHBondContact O-N 2.82Å
223A95.6Very high95.9Very high26 Ų2634.5 Ų34.522%0.21519%0.185CC..Hα-helixtrans-58.3-44.7178.500000112.1F162 S219 K220 F226 L227F162-A223 HydrophobicContact CE1-CB 4.43Å; S219-A223 WeakPolarHBondContact O-CB 3.18Å; S219-A223 PolarHBondContact O-N 3.09Å; K220-A223 PolarHBondContact O-N 2.68Å; A223-F226 PolarHBondContact O-N 3.08Å; A223-L227 WeakPolarHBondContact O-CG 3.14Å; A223-L227 PolarHBondContact O-N 3.46Å; A223-L227 VanDerWaalsContact O-N 3.07Å
224N94.1Very high96.1Very high10 Ų1033.3 Ų33.35%0.05318%0.177CC..Hα-helixtrans-67.2-36.6177.5-79.64.1000112.1K220 L221 T222 L227 A228 F277 D280K220-N224 VanDerWaalsContact CE-ND2 3.29Å; K220-N224 WeakPolarHBondContact CE-ND2 3.46Å; K220-N224 PolarHBondContact NZ-ND2 2.84Å; K220-N224 PolarHBondContact NZ-OD1 3.45Å; K220-N224 PolarHBondContact O-N 3.48Å; K220-N224 VanDerWaalsContact O-N 3.11Å; L221-N224 PolarHBondContact O-N 3.05Å; T222-N224 VanDerWaalsContact C-N 3.33Å; T222-N224 PolarHBondContact O-N 2.72Å; N224-L227 PolarHBondContact O-N 2.73Å; N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 2.76Å; N224-F277 HydrophobicContact CB-CD1 4.24Å; N224-F277 HydrophobicContact CB-CE1 4.42Å; N224-D280 HydrophobicContact CB-CB 4.25Å; N224-D280 WeakPolarHBondContact CB-OD2 3.42Å; N224-D280 PolarHBondContact ND2-OD2 3.12Å
225A96.6Very high96.4Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-63.7-41173.900000112.6L221 T222 A228 Q229 V281 L284 W300L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 3.37Å; T222-A225 PolarHBondContact O-N 2.81Å; T222-A225 VanDerWaalsContact O-N 3.15Å; A225-A228 PolarHBondContact O-N 2.99Å; A225-Q229 VanDerWaalsContact O-CB 3.25Å; A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 3.25Å; A225-V281 HydrophobicContact CB-CG2 4.06Å; A225-L284 HydrophobicContact CB-CD2 3.88Å; A225-W300 HydrophobicContact CB-CD2 4.46Å; A225-W300 HydrophobicContact CB-CE3 3.88Å; A225-W300 HydrophobicContact CB-CH2 4.26Å; A225-W300 HydrophobicContact CB-CZ3 3.77Å
226F98.4Very high96.5Very high110 Ų11028.7 Ų28.748%0.48216%0.16SC..Hα-helixtrans-65-39.5174.8-90.5-100.1000112.3T222 A223 Q229 R230 W300T222-F226 HydrophobicContact CG2-CD2 3.64Å; T222-F226 HydrophobicContact CG2-CE2 3.56Å; T222-F226 VanDerWaalsContact O-CD2 3.31Å; T222-F226 WeakPolarHBondContact O-CD2 3.36Å; T222-F226 PolarHBondContact O-N 2.82Å; A223-F226 PolarHBondContact O-N 3.08Å; F226-Q229 PolarHBondContact O-N 2.68Å; F226-R230 WeakPolarHBondContact O-CG 3.37Å; F226-R230 PolarHBondContact O-N 3.26Å; F226-W300 AromaticContact CD2-CH2 3.68Å; F226-W300 HydrophobicContact CD2-CH2 3.68Å; F226-W300 HydrophobicContact CD2-CZ2 4.37Å; F226-W300 AromaticContact CE2-CH2 3.61Å; F226-W300 HydrophobicContact CE2-CH2 3.61Å; F226-W300 AromaticContact CE2-CZ2 3.96Å; F226-W300 HydrophobicContact CE2-CZ2 3.96Å; F226-W300 HydrophobicContact CG-CH2 4.38Å; F226-W300 HydrophobicContact CZ-CH2 4.24Å
227L97.4Very high96.7Very high55 Ų5531.6 Ų31.629%0.28818%0.175SC..Hα-helixtrans-63.1-46.3174.9-69.2172.2000111.7A223 N224 Q229 R230 I231 F265 F277A223-L227 WeakPolarHBondContact O-CG 3.14Å; A223-L227 PolarHBondContact O-N 3.46Å; A223-L227 VanDerWaalsContact O-N 3.07Å; N224-L227 PolarHBondContact O-N 2.73Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 2.89Å; L227-R230 PolarHBondContact O-N 3.17Å; L227-I231 PolarHBondContact O-N 3.47Å; L227-F265 HydrophobicContact CB-CD1 4.05Å; L227-F265 HydrophobicContact CB-CE1 4.01Å; L227-F265 HydrophobicContact CD1-CZ 4.4Å; L227-F265 HydrophobicContact CD2-CD1 3.93Å; L227-F265 HydrophobicContact CD2-CD2 3.87Å; L227-F265 HydrophobicContact CD2-CE1 4.06Å; L227-F265 HydrophobicContact CD2-CE2 3.98Å; L227-F265 HydrophobicContact CD2-CG 3.85Å; L227-F265 HydrophobicContact CD2-CZ 4.08Å; L227-F265 HydrophobicContact CG-CE1 4.42Å; L227-F277 HydrophobicContact CB-CE1 3.78Å; L227-F277 HydrophobicContact CB-CZ 3.92Å; L227-F277 HydrophobicContact CD1-CE1 4.19Å; L227-F277 HydrophobicContact CD1-CZ 4.41Å
228A98Very high96.9Very high0 Ų031.5 Ų31.50%017%0.174CC..Hα-helixtrans-64.3-37.7176.400000112.3N224 A225 I231 S232 F272 F277 V281 V303N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 2.76Å; A225-A228 PolarHBondContact O-N 2.99Å; A228-I231 PolarHBondContact O-N 3.22Å; A228-S232 PolarHBondContact O-N 2.83Å; A228-S232 PolarHBondContact O-OG 3.19Å; A228-F272 HydrophobicContact CB-CE1 4.17Å; A228-F272 HydrophobicContact CB-CZ 4.25Å; A228-F277 HydrophobicContact CB-CB 3.91Å; A228-F277 HydrophobicContact CB-CD1 4.18Å; A228-F277 HydrophobicContact CB-CD2 4.47Å; A228-F277 HydrophobicContact CB-CG 3.95Å; A228-V281 HydrophobicContact CB-CG2 4.14Å; A228-V303 HydrophobicContact CB-CG1 3.75Å
229Q98.8Very high97.2Very high36 Ų3629.3 Ų29.317%0.16817%0.165CC..Hα-helixtrans-61.2-45.8176-178-179.958.200111.2A225 F226 L227 I231 S232 S233 Y299 W300 V303A225-Q229 VanDerWaalsContact O-CB 3.25Å; A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 3.25Å; F226-Q229 PolarHBondContact O-N 2.68Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 2.89Å; Q229-I231 VanDerWaalsContact C-N 3.3Å; Q229-I231 PolarHBondContact O-N 3.22Å; Q229-S232 PolarHBondContact O-N 2.79Å; Q229-S232 VanDerWaalsContact O-N 3.14Å; Q229-S233 WeakPolarHBondContact O-CB 3.32Å; Q229-S233 PolarHBondContact O-N 2.71Å; Q229-S233 PolarHBondContact O-OG 3.01Å; Q229-Y299 PolarHBondContact NE2-OH 3.22Å; Q229-W300 HydrophobicContact CB-CZ3 4.2Å; Q229-V303 HydrophobicContact CB-CG2 3.9Å; Q229-V303 HydrophobicContact CG-CG2 4.15Å
230R98.8Very high97.4Very high61 Ų6131.3 Ų31.323%0.2317%0.171CC..Hα-helixtrans-57.2-43.4177.6-70.2175.770.787.1-2.6112.3F226 L227 S233 I234 I261 G262 K264 F265F226-R230 WeakPolarHBondContact O-CG 3.37Å; F226-R230 PolarHBondContact O-N 3.26Å; L227-R230 PolarHBondContact O-N 3.17Å; R230-S233 PolarHBondContact O-N 2.79Å; R230-I234 PolarHBondContact O-N 3.44Å; R230-I261 PolarHBondContact NH1-O 2.94Å; R230-I261 PolarHBondContact NH2-O 3.21Å; R230-I261 VanDerWaalsContact NH2-O 3.11Å; R230-G262 PolarHBondContact NH2-O 3.39Å; R230-K264 VanDerWaalsContact CZ-O 3.31Å; R230-K264 PolarHBondContact NE-O 3.44Å; R230-K264 PolarHBondContact NH2-O 3.43Å; R230-F265 HydrophobicContact CB-CB 4.24Å; R230-F265 WeakPolarHBondContact CB-O 3.18Å
231I98.6Very high97.6Very high18 Ų1831.2 Ų31.29%0.09217%0.171CC..Hα-helixtrans-63.6-45.9176.9-59.8169.6000110.4L227 A228 Q229 S233 I234 N235 F265 F272 F277L227-I231 PolarHBondContact O-N 3.47Å; A228-I231 PolarHBondContact O-N 3.22Å; Q229-I231 VanDerWaalsContact C-N 3.3Å; Q229-I231 PolarHBondContact O-N 3.22Å; I231-S233 VanDerWaalsContact C-N 3.35Å; I231-S233 PolarHBondContact O-N 3.13Å; I231-I234 VanDerWaalsContact O-CG2 3.32Å; I231-I234 WeakPolarHBondContact O-CG2 3.48Å; I231-I234 PolarHBondContact O-N 3.23Å; I231-N235 VanDerWaalsContact O-CB 3.25Å; I231-N235 WeakPolarHBondContact O-CB 3.41Å; I231-N235 VanDerWaalsContact O-CG 3.23Å; I231-N235 PolarHBondContact O-N 3.39Å; I231-F265 HydrophobicContact CD1-CD1 3.77Å; I231-F265 HydrophobicContact CD1-CE1 4.05Å; I231-F265 HydrophobicContact CG1-CD1 3.93Å; I231-F272 HydrophobicContact CB-CD1 4.31Å; I231-F272 HydrophobicContact CD1-CB 3.88Å; I231-F272 HydrophobicContact CG2-CB 4.18Å; I231-F272 HydrophobicContact CG2-CD1 4.17Å; I231-F277 HydrophobicContact CD1-CD2 4.4Å; I231-F277 HydrophobicContact CD1-CE2 3.92Å
232S98.8Very high97.9Very high5 Ų533 Ų334%0.03518%0.179CC..Hα-helixtrans-66.1-38.3-179.9-58.50000112.2A228 Q229 N235 S236 F272 V303 M306A228-S232 PolarHBondContact O-N 2.83Å; A228-S232 PolarHBondContact O-OG 3.19Å; Q229-S232 PolarHBondContact O-N 2.79Å; Q229-S232 VanDerWaalsContact O-N 3.14Å; S232-N235 PolarHBondContact O-N 2.78Å; S232-S236 PolarHBondContact O-N 3.24Å; S232-F272 WeakPolarHBondContact OG-CE1 3.09Å; S232-V303 WeakPolarHBondContact OG-CG1 3.49Å; S232-V303 PolarHBondContact OG-O 3.22Å; S232-M306 VanDerWaalsContact O-CG 3.31Å; S232-M306 WeakPolarHBondContact O-CG 3.33Å
233S98.9Very high98Very high63 Ų6334.5 Ų34.544%0.44120%0.197SC..Hα-helixtrans-63.5-47.5174.5-63.90000111.4Q229 R230 I231 N235 S236 I237Q229-S233 WeakPolarHBondContact O-CB 3.32Å; Q229-S233 PolarHBondContact O-N 2.71Å; Q229-S233 PolarHBondContact O-OG 3.01Å; R230-S233 PolarHBondContact O-N 2.79Å; I231-S233 VanDerWaalsContact C-N 3.35Å; I231-S233 PolarHBondContact O-N 3.13Å; S233-N235 VanDerWaalsContact C-N 3.31Å; S233-N235 PolarHBondContact O-N 2.96Å; S233-S236 PolarHBondContact O-N 2.84Å; S233-S236 PolarHBondContact O-OG 3.46Å; S233-I237 WeakPolarHBondContact O-CG1 3.34Å; S233-I237 PolarHBondContact O-N 3.17Å
234I98.8Very high98Very high3 Ų337.8 Ų37.82%0.01521%0.214CC..Hα-helixtrans-70-31.4178-162.465.5000112.1R230 I231 I237 S238 V248 A252 I255 A268R230-I234 PolarHBondContact O-N 3.44Å; I231-I234 VanDerWaalsContact O-CG2 3.32Å; I231-I234 WeakPolarHBondContact O-CG2 3.48Å; I231-I234 PolarHBondContact O-N 3.23Å; I234-I237 HydrophobicContact CD1-CB 4.46Å; I234-I237 PolarHBondContact O-N 3.45Å; I234-S238 PolarHBondContact O-N 2.94Å; I234-V248 HydrophobicContact CD1-CG2 3.96Å; I234-V248 HydrophobicContact CG1-CG2 3.92Å; I234-A252 HydrophobicContact CD1-CB 3.89Å; I234-A252 HydrophobicContact CG1-CB 4.29Å; I234-I255 HydrophobicContact CD1-CD1 4.14Å; I234-A268 HydrophobicContact CG2-CB 4.49Å
235N98.8Very high98Very high0 Ų039.7 Ų39.70%024%0.236CC..Hα-helixtrans-65.9-38.1173-79.7-11.6000112.2I231 S232 S233 I237 S238 A239 A268 S269 Q310I231-N235 VanDerWaalsContact O-CB 3.25Å; I231-N235 WeakPolarHBondContact O-CB 3.41Å; I231-N235 VanDerWaalsContact O-CG 3.23Å; I231-N235 PolarHBondContact O-N 3.39Å; S232-N235 PolarHBondContact O-N 2.78Å; S233-N235 VanDerWaalsContact C-N 3.31Å; S233-N235 PolarHBondContact O-N 2.96Å; N235-I237 VanDerWaalsContact C-N 3.34Å; N235-I237 PolarHBondContact O-N 3.36Å; N235-S238 WeakPolarHBondContact O-CB 3.38Å; N235-S238 PolarHBondContact O-N 3.01Å; N235-S238 VanDerWaalsContact O-N 3.17Å; N235-S238 PolarHBondContact O-OG 3.31Å; N235-A239 PolarHBondContact O-N 3.4Å; N235-A268 WeakPolarHBondContact OD1-CA 3.31Å; N235-S269 PolarHBondContact ND2-O 2.99Å; N235-S269 PolarHBondContact OD1-N 3.42Å; N235-S269 PolarHBondContact OD1-O 2.8Å; N235-Q310 HydrophobicContact CB-CB 4.5Å; N235-Q310 HydrophobicContact CB-CG 4.09Å; N235-Q310 PolarHBondContact O-OE1 2.77Å; N235-Q310 PolarHBondContact OD1-NE2 2.77Å
236S98.9Very high98.1Very high42 Ų4241.6 Ų41.629%0.29425%0.252SS..Hα-helixtrans-64.5-41.4174.578.10000111.5S232 S233 S238 A239 L240 M306S232-S236 PolarHBondContact O-N 3.24Å; S233-S236 PolarHBondContact O-N 2.84Å; S233-S236 PolarHBondContact O-OG 3.46Å; S236-S238 VanDerWaalsContact C-N 3.28Å; S236-S238 PolarHBondContact O-N 3.1Å; S236-A239 PolarHBondContact O-N 2.92Å; S236-L240 PolarHBondContact O-N 2.8Å; S236-M306 WeakPolarHBondContact CB-SD 3.48Å
237I98.8Very high98Very high61 Ų6137 Ų3731%0.31323%0.232SC..Hα-helixtrans-63.5-34.6173.7-61.8-56.9000111.3S233 I234 N235 A239 L240 C241 V251S233-I237 WeakPolarHBondContact O-CG1 3.34Å; S233-I237 PolarHBondContact O-N 3.17Å; I234-I237 HydrophobicContact CD1-CB 4.46Å; I234-I237 PolarHBondContact O-N 3.45Å; N235-I237 VanDerWaalsContact C-N 3.34Å; N235-I237 PolarHBondContact O-N 3.36Å; I237-A239 VanDerWaalsContact C-N 3.3Å; I237-A239 PolarHBondContact O-N 3.06Å; I237-L240 WeakPolarHBondContact O-CB 3.36Å; I237-L240 PolarHBondContact O-N 2.86Å; I237-C241 PolarHBondContact O-N 3.4Å; I237-C241 PolarHBondContact O-SG 2.86Å; I237-C241 VanDerWaalsContact O-SG 3.34Å; I237-V251 HydrophobicContact CG2-CG1 3.95Å
238S98.8Very high98.1Very high0 Ų034.4 Ų34.40%022%0.219CC..Hα-helixtrans-58-40.7175.981.30000112.5I234 N235 S236 L240 C241 E242 Q310 R313 G463I234-S238 PolarHBondContact O-N 2.94Å; N235-S238 WeakPolarHBondContact O-CB 3.38Å; N235-S238 PolarHBondContact O-N 3.01Å; N235-S238 VanDerWaalsContact O-N 3.17Å; N235-S238 PolarHBondContact O-OG 3.31Å; S236-S238 VanDerWaalsContact C-N 3.28Å; S236-S238 PolarHBondContact O-N 3.1Å; S238-L240 VanDerWaalsContact C-N 3.34Å; S238-L240 PolarHBondContact O-N 2.84Å; S238-C241 WeakPolarHBondContact O-CB 3.26Å; S238-C241 PolarHBondContact O-N 3.14Å; S238-E242 WeakPolarHBondContact O-CG 3.32Å; S238-E242 PolarHBondContact O-N 3.31Å; S238-Q310 PolarHBondContact OG-NE2 2.79Å; S238-R313 PolarHBondContact OG-NH2 3.45Å; S238-G463 WeakPolarHBondContact O-CA 3.32Å
239A98.6Very high98.1Very high18 Ų1836.4 Ų36.415%0.14923%0.228CC..Hα-helixtrans-65.2-39.2175.500000111.7N235 S236 I237 E242 A243 Y309N235-A239 PolarHBondContact O-N 3.4Å; S236-A239 PolarHBondContact O-N 2.92Å; I237-A239 VanDerWaalsContact C-N 3.3Å; I237-A239 PolarHBondContact O-N 3.06Å; A239-E242 PolarHBondContact O-N 3.46Å; A239-A243 PolarHBondContact O-N 2.82Å; A239-A243 VanDerWaalsContact O-N 3.13Å; A239-Y309 HydrophobicContact CB-CE1 4.23Å
240L98.6Very high98.1Very high99 Ų9941.4 Ų41.452%0.51825%0.251SS..Hα-helixtrans-65.1-40.2175.3-176.161.6000111.9S236 I237 S238 A243 T244S236-L240 PolarHBondContact O-N 2.8Å; I237-L240 WeakPolarHBondContact O-CB 3.36Å; I237-L240 PolarHBondContact O-N 2.86Å; S238-L240 VanDerWaalsContact C-N 3.34Å; S238-L240 PolarHBondContact O-N 2.84Å; L240-A243 PolarHBondContact O-N 2.56Å; L240-T244 HydrophobicContact CD1-CG2 3.84Å; L240-T244 HydrophobicContact CG-CG2 4.32Å; L240-T244 WeakPolarHBondContact O-CB 3.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.44Å; L240-T244 PolarHBondContact O-N 3.17Å; L240-T244 PolarHBondContact O-OG1 3.35Å
241C98.4Very high98.1Very high4 Ų440.7 Ų40.73%0.02725%0.254CS..Hα-helixtrans-59.7-44.5174.3-70.80000111.6I237 S238 A243 T244 G245 A246 V248 G463I237-C241 PolarHBondContact O-N 3.4Å; I237-C241 PolarHBondContact O-SG 2.86Å; I237-C241 VanDerWaalsContact O-SG 3.34Å; S238-C241 WeakPolarHBondContact O-CB 3.26Å; S238-C241 PolarHBondContact O-N 3.14Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 3.49Å; C241-T244 PolarHBondContact O-N 3.35Å; C241-G245 PolarHBondContact O-N 3.13Å; C241-A246 HydrophobicContact CB-CB 4.2Å; C241-A246 WeakPolarHBondContact CB-O 3.47Å; C241-A246 PolarHBondContact O-N 2.8Å; C241-V248 HydrophobicContact CB-CB 4.42Å; C241-G463 WeakPolarHBondContact CB-O 3.27Å
242E97.2Very high98.1Very high37 Ų3740.2 Ų40.217%0.17325%0.253CS..Hα-helixtrans-59.8-40.2176-70.1168.2-141.800112.2S238 A239 R313 R317 G463S238-E242 WeakPolarHBondContact O-CG 3.32Å; S238-E242 PolarHBondContact O-N 3.31Å; A239-E242 PolarHBondContact O-N 3.46Å; E242-R313 IonicContact OE1-CZ 3.99Å; E242-R313 VanDerWaalsContact OE1-CZ 3.29Å; E242-R313 IonicContact OE1-NH1 2.93Å; E242-R313 PolarHBondContact OE1-NH1 3.48Å; E242-R313 IonicContact OE1-NH2 3.22Å; E242-R313 PolarHBondContact OE1-NH2 3.2Å; E242-R313 IonicContact OE2-CZ 2.8Å; E242-R313 IonicContact OE2-NH1 3.34Å; E242-R313 PolarHBondContact OE2-NH1 2.77Å; E242-R317 IonicContact OE1-NH1 3.19Å; E242-R317 IonicContact OE2-NH1 2.84Å; E242-R317 PolarHBondContact OE2-NH1 3.41Å; E242-G463 PolarHBondContact OE1-N 3.41Å
243A96.3Very high98.1Very high77 Ų7744.2 Ų44.264%0.63628%0.277SS*.Hα-helixtrans-73.1-33.1179.200000113.5A239 L240 C241A239-A243 PolarHBondContact O-N 2.82Å; A239-A243 VanDerWaalsContact O-N 3.13Å; L240-A243 PolarHBondContact O-N 2.56Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 3.49Å
244T96.8Very high98.1Very high95 Ų9544.4 Ų44.458%0.58328%0.282SS*.Hα-helixtrans-103.1-16-170.157.20000114.4L240 C241L240-T244 HydrophobicContact CD1-CG2 3.84Å; L240-T244 HydrophobicContact CG-CG2 4.32Å; L240-T244 WeakPolarHBondContact O-CB 3.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.44Å; L240-T244 PolarHBondContact O-N 3.17Å; L240-T244 PolarHBondContact O-OG1 3.35Å; C241-T244 PolarHBondContact O-N 3.35Å
245G94.5Very high98Very high50 Ų5047.4 Ų47.452%0.51530%0.297SS..THydrogen-bonded Turntrans92.55.7-17900000115.3C241C241-G245 PolarHBondContact O-N 3.13Å
246A97.6Very high98Very high40 Ų4047.8 Ų47.833%0.33130%0.301SS..  trans-74.5166.2169.700000111.9C241C241-A246 HydrophobicContact CB-CB 4.2Å; C241-A246 WeakPolarHBondContact CB-O 3.47Å; C241-A246 PolarHBondContact O-N 2.8Å
247D97.9Very high98Very high13 Ų1352.9 Ų52.97%0.0732%0.323CS..BIsolated β-bridgetrans-108.2124.5171-162.9-36.3000110.3E249 E250 V251 R443 K464D247-E249 PolarHBondContact O-N 2.79Å; D247-E249 PolarHBondContact OD1-N 2.82Å; D247-E249 VanDerWaalsContact OD1-N 3.14Å; D247-E250 HydrophobicContact CB-CB 4.37Å; D247-E250 HydrophobicContact CB-CG 4.04Å; D247-E250 PolarHBondContact O-N 3.26Å; D247-V251 WeakPolarHBondContact O-CG2 3.41Å; D247-V251 PolarHBondContact O-N 3.33Å; D247-V251 VanDerWaalsContact O-N 3.15Å; D247-R443 IonicContact OD1-CZ 3.81Å; D247-R443 IonicContact OD1-NH1 3.08Å; D247-R443 IonicContact OD1-NH2 3.29Å; D247-R443 PolarHBondContact OD1-NH2 2.79Å; D247-R443 VanDerWaalsContact OD1-NH2 3.08Å; D247-R443 IonicContact OD2-NH2 2.83Å; D247-R443 PolarHBondContact OD2-NH2 3.24Å; D247-K464 VanDerWaalsContact OD2-CD 3.31Å; D247-K464 WeakPolarHBondContact OD2-CD 3.35Å; D247-K464 WeakPolarHBondContact OD2-CE 3.29Å; D247-K464 IonicContact OD2-NZ 2.68Å; D247-K464 PolarHBondContact OD2-NZ 3.27Å
248V98.6Very high98Very high0 Ų052.5 Ų52.50%032%0.321CS..Hα-helixtrans-62.3-29.9-177.273.70000112.9I234 C241 V251 A252 A268 G463I234-V248 HydrophobicContact CD1-CG2 3.96Å; I234-V248 HydrophobicContact CG1-CG2 3.92Å; C241-V248 HydrophobicContact CB-CB 4.42Å; V248-V251 PolarHBondContact O-N 3.39Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å; V248-A268 HydrophobicContact CG1-CB 3.8Å; V248-A268 HydrophobicContact CG2-CB 4Å; V248-G463 PolarHBondContact N-O 3.01Å
249E98.1Very high97.9Very high43 Ų4361.4 Ų61.420%0.20136%0.363CS..Hα-helixtrans-71.7-35.9179.2-69.9-67.4133.500112D247 T253 K267D247-E249 PolarHBondContact O-N 2.79Å; D247-E249 PolarHBondContact OD1-N 2.82Å; D247-E249 VanDerWaalsContact OD1-N 3.14Å; E249-T253 WeakPolarHBondContact O-CB 3.46Å; E249-T253 PolarHBondContact O-N 3.49Å; E249-T253 PolarHBondContact O-OG1 2.97Å; E249-K267 WeakPolarHBondContact OE1-CD 3.45Å; E249-K267 WeakPolarHBondContact OE1-CE 3.41Å; E249-K267 IonicContact OE1-NZ 2.87Å; E249-K267 PolarHBondContact OE1-NZ 3.26Å; E249-K267 IonicContact OE2-NZ 2.83Å; E249-K267 PolarHBondContact OE2-NZ 3.26Å
250E98.5Very high97.9Very high140 Ų14071 Ų7165%0.65440%0.395SS*.Hα-helixtrans-66-44.5173.9-65.5177.7-17100110.3D247 T253 A254D247-E250 HydrophobicContact CB-CB 4.37Å; D247-E250 HydrophobicContact CB-CG 4.04Å; D247-E250 PolarHBondContact O-N 3.26Å; E250-T253 PolarHBondContact O-N 3.11Å; E250-A254 WeakPolarHBondContact O-CB 3.37Å; E250-A254 PolarHBondContact O-N 2.7Å
251V98.7Very high97.8Very high47 Ų4769.9 Ų69.929%0.28539%0.389SS..Hα-helixtrans-62.9-46.9176176.90000111.2I237 D247 V248 T253 A254 I255I237-V251 HydrophobicContact CG2-CG1 3.95Å; D247-V251 WeakPolarHBondContact O-CG2 3.41Å; D247-V251 PolarHBondContact O-N 3.33Å; D247-V251 VanDerWaalsContact O-N 3.15Å; V248-V251 PolarHBondContact O-N 3.39Å; V251-T253 VanDerWaalsContact C-N 3.29Å; V251-T253 PolarHBondContact O-N 2.89Å; V251-A254 PolarHBondContact O-N 3.21Å; V251-I255 HydrophobicContact CG1-CG2 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.46Å; V251-I255 PolarHBondContact O-N 3.44Å
252A98.5Very high97.8Very high8 Ų870.8 Ų70.87%0.06640%0.399CS..Hα-helixtrans-58.7-41.7177.200000111.8I234 V248 I255 G256 L266I234-A252 HydrophobicContact CD1-CB 3.89Å; I234-A252 HydrophobicContact CG1-CB 4.29Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å; A252-I255 WeakPolarHBondContact O-CG1 3.4Å; A252-G256 PolarHBondContact O-N 3.43Å; A252-L266 HydrophobicContact CB-CB 4.25Å; A252-L266 WeakPolarHBondContact CB-O 3.36Å
253T98.6Very high97.8Very high89 Ų8975 Ų7555%0.54642%0.422SS..Hα-helixtrans-62.5-50.4175.9-60.40000110.5E249 E250 V251 I255 G256 M257E249-T253 WeakPolarHBondContact O-CB 3.46Å; E249-T253 PolarHBondContact O-N 3.49Å; E249-T253 PolarHBondContact O-OG1 2.97Å; E250-T253 PolarHBondContact O-N 3.11Å; V251-T253 VanDerWaalsContact C-N 3.29Å; V251-T253 PolarHBondContact O-N 2.89Å; T253-I255 PolarHBondContact O-N 3.28Å; T253-G256 PolarHBondContact O-N 2.91Å; T253-M257 WeakPolarHBondContact O-CG 3.19Å; T253-M257 PolarHBondContact O-N 2.9Å; T253-M257 VanDerWaalsContact O-N 3.15Å
254A98.6Very high97.8Very high67 Ų6778.3 Ų78.355%0.55442%0.422SS*.Hα-helixtrans-59.6-47.2-178.900000112.5E250 V251E250-A254 WeakPolarHBondContact O-CB 3.37Å; E250-A254 PolarHBondContact O-N 2.7Å; V251-A254 PolarHBondContact O-N 3.21Å
255I98.3Very high97.8Very high65 Ų6578.1 Ų78.133%0.33341%0.414SS..Hα-helixtrans-70.9-32.2178.570.1179000112.2I234 V251 A252 T253 M257 D258 I261 L266I234-I255 HydrophobicContact CD1-CD1 4.14Å; V251-I255 HydrophobicContact CG1-CG2 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.46Å; V251-I255 PolarHBondContact O-N 3.44Å; A252-I255 WeakPolarHBondContact O-CG1 3.4Å; T253-I255 PolarHBondContact O-N 3.28Å; I255-M257 VanDerWaalsContact C-N 3.28Å; I255-M257 PolarHBondContact O-N 3.04Å; I255-D258 PolarHBondContact O-N 2.96Å; I255-I261 HydrophobicContact CB-CD1 4.47Å; I255-L266 HydrophobicContact CD1-CD1 4.19Å; I255-L266 HydrophobicContact CD1-CD2 4.35Å; I255-L266 HydrophobicContact CG1-CD1 3.95Å
256G98.3Very high98Very high8 Ų876.5 Ų76.58%0.08239%0.393CS..Hα-helixtrans-73.5-17.1-178.500000114.1A252 T253 D258 G262 N263A252-G256 PolarHBondContact O-N 3.43Å; T253-G256 PolarHBondContact O-N 2.91Å; G256-D258 VanDerWaalsContact C-N 3.29Å; G256-G262 CarbonylContact O-C 3.57Å; G256-N263 PolarHBondContact O-N 2.91Å
257M98.2Very high98Very high150 Ų15079 Ų7974%0.73940%0.396SS*.THydrogen-bonded Turntrans-71.6-22.8173.1-72.5179.877.300112.7T253 I255 Q259T253-M257 WeakPolarHBondContact O-CG 3.19Å; T253-M257 PolarHBondContact O-N 2.9Å; T253-M257 VanDerWaalsContact O-N 3.15Å; I255-M257 VanDerWaalsContact C-N 3.28Å; I255-M257 PolarHBondContact O-N 3.04Å; M257-Q259 PolarHBondContact O-N 3.31Å
258D98.6Very high98Very high53 Ų5378.3 Ų78.328%0.28339%0.393SS..SBendtrans-70.8111.1169.3-170.4-34.6000109.2I255 G256 R260 I261 G262I255-D258 PolarHBondContact O-N 2.96Å; G256-D258 VanDerWaalsContact C-N 3.29Å; D258-R260 PolarHBondContact O-N 2.98Å; D258-R260 VanDerWaalsContact O-N 3.08Å; D258-R260 VanDerWaalsContact OD1-CB 3.26Å; D258-R260 WeakPolarHBondContact OD1-CB 3.46Å; D258-R260 WeakPolarHBondContact OD1-CG 3.11Å; D258-R260 IonicContact OD1-CZ 3.31Å; D258-R260 PolarHBondContact OD1-N 3.3Å; D258-R260 IonicContact OD1-NE 3.24Å; D258-R260 PolarHBondContact OD1-NE 3.31Å; D258-R260 IonicContact OD1-NH2 2.78Å; D258-R260 IonicContact OD2-CZ 2.9Å; D258-R260 IonicContact OD2-NE 3.07Å; D258-R260 PolarHBondContact OD2-NE 2.86Å; D258-R260 IonicContact OD2-NH2 2.62Å; D258-R260 PolarHBondContact OD2-NH2 2.85Å; D258-I261 HydrophobicContact CB-CD1 4.27Å; D258-I261 HydrophobicContact CB-CG1 4.34Å; D258-I261 PolarHBondContact O-N 3.12Å; D258-G262 PolarHBondContact O-N 2.78Å
259Q97.1Very high98Very high187 Ų18778.8 Ų78.887%0.87440%0.396SS*.THydrogen-bonded Turntrans-62-19.6-176-64.2-176.110.100113.6M257 I261M257-Q259 PolarHBondContact O-N 3.31Å; Q259-I261 VanDerWaalsContact C-N 3.27Å
260R97.8Very high98Very high220 Ų22076.7 Ų76.783%0.8339%0.387SS*.THydrogen-bonded Turntrans-72.4-24.2174.6-55.8172.2-64.8171.42.1111.9D258D258-R260 PolarHBondContact O-N 2.98Å; D258-R260 VanDerWaalsContact O-N 3.08Å; D258-R260 VanDerWaalsContact OD1-CB 3.26Å; D258-R260 WeakPolarHBondContact OD1-CB 3.46Å; D258-R260 WeakPolarHBondContact OD1-CG 3.11Å; D258-R260 IonicContact OD1-CZ 3.31Å; D258-R260 PolarHBondContact OD1-N 3.3Å; D258-R260 IonicContact OD1-NE 3.24Å; D258-R260 PolarHBondContact OD1-NE 3.31Å; D258-R260 IonicContact OD1-NH2 2.78Å; D258-R260 IonicContact OD2-CZ 2.9Å; D258-R260 IonicContact OD2-NE 3.07Å; D258-R260 PolarHBondContact OD2-NE 2.86Å; D258-R260 IonicContact OD2-NH2 2.62Å; D258-R260 PolarHBondContact OD2-NH2 2.85Å
261I97.9Very high98Very high75 Ų7570 Ų7039%0.38536%0.355SS..THydrogen-bonded Turntrans-95.7-45.5175-58.2178.1000109.9R230 I255 D258 Q259 L266R230-I261 PolarHBondContact NH1-O 2.94Å; R230-I261 PolarHBondContact NH2-O 3.21Å; R230-I261 VanDerWaalsContact NH2-O 3.11Å; I255-I261 HydrophobicContact CB-CD1 4.47Å; D258-I261 HydrophobicContact CB-CD1 4.27Å; D258-I261 HydrophobicContact CB-CG1 4.34Å; D258-I261 PolarHBondContact O-N 3.12Å; Q259-I261 VanDerWaalsContact C-N 3.27Å; I261-L266 HydrophobicContact CG2-CD1 4.46Å
262G97.6Very high98Very high23 Ų2368.2 Ų68.224%0.23734%0.344CS..  trans73161.5-174.800000113.5R230 G256 D258 L266R230-G262 PolarHBondContact NH2-O 3.39Å; G256-G262 CarbonylContact O-C 3.57Å; D258-G262 PolarHBondContact O-N 2.78Å; G262-L266 VanDerWaalsContact O-CD1 3.31Å; G262-L266 WeakPolarHBondContact O-CD1 3.32Å
263N97.2Very high97.8Very high124 Ų12468.2 Ų68.266%0.66334%0.344SS*.SBendtrans-94.7-4.7-170.563.65.4000115.5G256G256-N263 PolarHBondContact O-N 2.91Å
264K96.5Very high97.4Very high147 Ų14764.1 Ų64.164%0.63932%0.319SS*.THydrogen-bonded Turntrans-83.6153.5-177.3-61.8-174.8-179.1179.20111.7R230 L266R230-K264 VanDerWaalsContact CZ-O 3.31Å; R230-K264 PolarHBondContact NE-O 3.44Å; R230-K264 PolarHBondContact NH2-O 3.43Å; K264-L266 PolarHBondContact O-N 3.02Å
265F96.5Very high96.8Very high91 Ų9161.9 Ų61.940%0.39930%0.3SS..THydrogen-bonded Turntrans58.428.5176.9-83.6-106.8000114.2L227 R230 I231 F277L227-F265 HydrophobicContact CB-CD1 4.05Å; L227-F265 HydrophobicContact CB-CE1 4.01Å; L227-F265 HydrophobicContact CD1-CZ 4.4Å; L227-F265 HydrophobicContact CD2-CD1 3.93Å; L227-F265 HydrophobicContact CD2-CD2 3.87Å; L227-F265 HydrophobicContact CD2-CE1 4.06Å; L227-F265 HydrophobicContact CD2-CE2 3.98Å; L227-F265 HydrophobicContact CD2-CG 3.85Å; L227-F265 HydrophobicContact CD2-CZ 4.08Å; L227-F265 HydrophobicContact CG-CE1 4.42Å; R230-F265 HydrophobicContact CB-CB 4.24Å; R230-F265 WeakPolarHBondContact CB-O 3.18Å; I231-F265 HydrophobicContact CD1-CD1 3.77Å; I231-F265 HydrophobicContact CD1-CE1 4.05Å; I231-F265 HydrophobicContact CG1-CD1 3.93Å; F265-F277 HydrophobicContact CE1-CE2 4.05Å; F265-F277 AromaticContact CE1-CZ 3.69Å; F265-F277 HydrophobicContact CE1-CZ 3.69Å; F265-F277 HydrophobicContact CZ-CZ 4.33Å
266L98.3Very high96.3Very high17 Ų1760.4 Ų60.49%0.08930%0.295CS..  trans-112.323.1175.6-63.1178.9000112.2A252 I255 I261 G262 K264A252-L266 HydrophobicContact CB-CB 4.25Å; A252-L266 WeakPolarHBondContact CB-O 3.36Å; I255-L266 HydrophobicContact CD1-CD1 4.19Å; I255-L266 HydrophobicContact CD1-CD2 4.35Å; I255-L266 HydrophobicContact CG1-CD1 3.95Å; I261-L266 HydrophobicContact CG2-CD1 4.46Å; G262-L266 VanDerWaalsContact O-CD1 3.31Å; G262-L266 WeakPolarHBondContact O-CD1 3.32Å; K264-L266 PolarHBondContact O-N 3.02Å
267K98Very high96Very high91 Ų9161.6 Ų61.640%0.39630%0.298SS..  trans-88.8113.9175.6-170.970.3-179.2161.40108.9E249E249-K267 WeakPolarHBondContact OE1-CD 3.45Å; E249-K267 WeakPolarHBondContact OE1-CE 3.41Å; E249-K267 IonicContact OE1-NZ 2.87Å; E249-K267 PolarHBondContact OE1-NZ 3.26Å; E249-K267 IonicContact OE2-NZ 2.83Å; E249-K267 PolarHBondContact OE2-NZ 3.26Å
268A98.5Very high95.8Very high0 Ų055.7 Ų55.70%027%0.269CS..  trans-66.3146.1174.500000110.5I234 N235 V248 I462I234-A268 HydrophobicContact CG2-CB 4.49Å; N235-A268 WeakPolarHBondContact OD1-CA 3.31Å; V248-A268 HydrophobicContact CG1-CB 3.8Å; V248-A268 HydrophobicContact CG2-CB 4Å; A268-I462 HydrophobicContact CB-CG2 4.14Å
269S98.7Very high95.5Very high9 Ų954.6 Ų54.66%0.06326%0.261CS..  trans-154.2173.3-177.562.60000111.4N235 G271 Q310 G441 I462N235-S269 PolarHBondContact ND2-O 2.99Å; N235-S269 PolarHBondContact OD1-N 3.42Å; N235-S269 PolarHBondContact OD1-O 2.8Å; S269-G271 PolarHBondContact O-N 3.37Å; S269-G271 VanDerWaalsContact O-N 3.1Å; S269-G271 PolarHBondContact OG-N 3.48Å; S269-Q310 VanDerWaalsContact O-CG 3.27Å; S269-Q310 WeakPolarHBondContact O-CG 3.47Å; S269-Q310 PolarHBondContact O-NE2 3.16Å; S269-G441 CarbonylContact C-O 3.5Å; S269-G441 WeakPolarHBondContact CA-O 3.19Å; S269-I462 WeakPolarHBondContact O-CD1 3.21Å
270V98.4Very high95.3Very high0 Ų045.7 Ų45.70%022%0.22CC..SBendtrans-59.7-18.117464.10000113.3Q310 R311 F314 I353 G441 I462V270-Q310 CarbonylContact O-C 3.54Å; V270-Q310 WeakPolarHBondContact O-CG 3.47Å; V270-R311 WeakPolarHBondContact O-CG 3.4Å; V270-R311 PolarHBondContact O-N 2.9Å; V270-F314 HydrophobicContact CB-CD1 4.32Å; V270-F314 HydrophobicContact CG2-CB 4.03Å; V270-F314 HydrophobicContact CG2-CD1 3.42Å; V270-F314 VanDerWaalsContact CG2-CD1 3.42Å; V270-F314 HydrophobicContact CG2-CE1 4.02Å; V270-F314 HydrophobicContact CG2-CG 3.83Å; V270-I353 HydrophobicContact CG2-CD1 3.73Å; V270-I353 HydrophobicContact CG2-CG1 3.72Å; V270-G441 PolarHBondContact N-O 2.95Å; V270-I462 HydrophobicContact CB-CD1 3.96Å
271G98.1Very high95.2Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans146.9146.4177.300000109.7S269 N307 S349S269-G271 PolarHBondContact O-N 3.37Å; S269-G271 VanDerWaalsContact O-N 3.1Å; S269-G271 PolarHBondContact OG-N 3.48Å; G271-N307 WeakPolarHBondContact CA-OD1 3.47Å; G271-S349 VanDerWaalsContact C-OG 3.29Å; G271-S349 PolarHBondContact O-OG 2.98Å
272F97.9Very high95.1Very high9 Ų932.6 Ų32.64%0.03917%0.167CC..  trans-68.8154.7172.367.2-104.1000110.5A228 I231 S232 F277 Q278 V303 I304 N307 R311A228-F272 HydrophobicContact CB-CE1 4.17Å; A228-F272 HydrophobicContact CB-CZ 4.25Å; I231-F272 HydrophobicContact CB-CD1 4.31Å; I231-F272 HydrophobicContact CD1-CB 3.88Å; I231-F272 HydrophobicContact CG2-CB 4.18Å; I231-F272 HydrophobicContact CG2-CD1 4.17Å; S232-F272 WeakPolarHBondContact OG-CE1 3.09Å; F272-F277 HydrophobicContact CB-CD2 4.07Å; F272-F277 HydrophobicContact CD2-CB 3.57Å; F272-F277 AromaticContact CD2-CD2 3.92Å; F272-F277 HydrophobicContact CD2-CD2 3.92Å; F272-F277 HydrophobicContact CD2-CG 4.25Å; F272-F277 HydrophobicContact CE2-CB 3.54Å; F272-F277 HydrophobicContact CG-CB 4.41Å; F272-F277 HydrophobicContact CG-CD2 4.07Å; F272-F277 HydrophobicContact CZ-CB 4.35Å; F272-Q278 HydrophobicContact CE2-CB 4.24Å; F272-V303 HydrophobicContact CE1-CG1 4.25Å; F272-V303 HydrophobicContact CZ-CG1 4.46Å; F272-I304 HydrophobicContact CZ-CD1 3.96Å; F272-N307 HydrophobicContact CD1-CB 4.08Å; F272-N307 WeakPolarHBondContact CD1-OD1 3.26Å; F272-N307 HydrophobicContact CE1-CB 3.49Å; F272-N307 VanDerWaalsContact CE1-CB 3.49Å; F272-N307 HydrophobicContact CZ-CB 3.78Å; F272-N307 PolarHBondContact N-OD1 2.99Å; F272-N307 PolarHBondContact O-ND2 3.33Å; F272-R311 PolarHBondContact O-NH2 2.99Å
273G94.4Very high94.9Very high7 Ų732 Ų327%0.07216%0.158CC..  trans-139.6-153.6173.300000111.3E347G273-E347 WeakPolarHBondContact CA-O 3.29Å
274G90.1Very high94.8Very high3 Ų326.5 Ų26.53%0.03113%0.129CC..SBendtrans85.8160.1-178.300000112.3C276 F338 R346G274-C276 PolarHBondContact O-N 3.13Å; G274-C276 VanDerWaalsContact O-N 3.1Å; G274-F338 VanDerWaalsContact CA-CD2 3.5Å; G274-R346 CarbonylContact C-O 3.58Å; G274-R346 WeakPolarHBondContact CA-O 3.28Å; G274-R346 PolarHBondContact N-O 2.75Å
275S86.1Confident94.8Very high21 Ų2119.6 Ų19.615%0.14710%0.099CC..THydrogen-bonded Turntrans-69.3-8.7-172.766.50000116K279 R346S275-K279 WeakPolarHBondContact O-CE 3.44Å; S275-R346 VanDerWaalsContact CB-CZ 3.4Å; S275-R346 VanDerWaalsContact CB-NH1 3.33Å; S275-R346 VanDerWaalsContact OG-CZ 3.28Å; S275-R346 PolarHBondContact OG-NH1 3.39Å; S275-R346 VanDerWaalsContact OG-NH1 3.15Å; S275-R346 PolarHBondContact OG-NH2 3.31Å
276C87.5Confident94.8Very high33 Ų3318.4 Ų18.422%0.2239%0.092CC..THydrogen-bonded Turntrans-96.1-66.2-172.9-62.10000112.6G274 Q278 K279 D280G274-C276 PolarHBondContact O-N 3.13Å; G274-C276 VanDerWaalsContact O-N 3.1Å; C276-Q278 PolarHBondContact O-N 3.03Å; C276-K279 PolarHBondContact O-N 3.02Å; C276-D280 VanDerWaalsContact O-CB 3.25Å; C276-D280 WeakPolarHBondContact O-CB 3.45Å; C276-D280 PolarHBondContact O-N 3.24Å
277F93.8Very high94.6Very high33 Ų3318.6 Ų18.615%0.1459%0.093CC..Hα-helixtrans-57.5-51.7-162.4-67.6-29.5000115.1N224 L227 A228 I231 F265 F272 D280 V281N224-F277 HydrophobicContact CB-CD1 4.24Å; N224-F277 HydrophobicContact CB-CE1 4.42Å; L227-F277 HydrophobicContact CB-CE1 3.78Å; L227-F277 HydrophobicContact CB-CZ 3.92Å; L227-F277 HydrophobicContact CD1-CE1 4.19Å; L227-F277 HydrophobicContact CD1-CZ 4.41Å; A228-F277 HydrophobicContact CB-CB 3.91Å; A228-F277 HydrophobicContact CB-CD1 4.18Å; A228-F277 HydrophobicContact CB-CD2 4.47Å; A228-F277 HydrophobicContact CB-CG 3.95Å; I231-F277 HydrophobicContact CD1-CD2 4.4Å; I231-F277 HydrophobicContact CD1-CE2 3.92Å; F265-F277 HydrophobicContact CE1-CE2 4.05Å; F265-F277 AromaticContact CE1-CZ 3.69Å; F265-F277 HydrophobicContact CE1-CZ 3.69Å; F265-F277 HydrophobicContact CZ-CZ 4.33Å; F272-F277 HydrophobicContact CB-CD2 4.07Å; F272-F277 HydrophobicContact CD2-CB 3.57Å; F272-F277 AromaticContact CD2-CD2 3.92Å; F272-F277 HydrophobicContact CD2-CD2 3.92Å; F272-F277 HydrophobicContact CD2-CG 4.25Å; F272-F277 HydrophobicContact CE2-CB 3.54Å; F272-F277 HydrophobicContact CG-CB 4.41Å; F272-F277 HydrophobicContact CG-CD2 4.07Å; F272-F277 HydrophobicContact CZ-CB 4.35Å; F277-D280 PolarHBondContact O-N 3.46Å; F277-V281 WeakPolarHBondContact O-CG2 3.45Å; F277-V281 PolarHBondContact O-N 3.24Å
278Q93.9Very high94.6Very high27 Ų2714.7 Ų14.713%0.1268%0.077CC..Hα-helixtrans-64.2-46.5-178.2-172.6172.7-69.100111.1F272 C276 D280 L282 I304 E347F272-Q278 HydrophobicContact CE2-CB 4.24Å; C276-Q278 PolarHBondContact O-N 3.03Å; Q278-D280 VanDerWaalsContact C-N 3.33Å; Q278-D280 PolarHBondContact O-N 3.47Å; Q278-L282 HydrophobicContact CG-CD1 3.9Å; Q278-L282 WeakPolarHBondContact O-CB 3.27Å; Q278-L282 WeakPolarHBondContact O-CG 3.25Å; Q278-L282 PolarHBondContact O-N 2.8Å; Q278-I304 HydrophobicContact CB-CD1 4.33Å; Q278-I304 HydrophobicContact CG-CD1 4.02Å; Q278-E347 PolarHBondContact NE2-OE2 2.91Å
279K91.4Very high94.5Very high29 Ų2918.4 Ų18.413%0.12610%0.095CC..Hα-helixtrans-58.6-45.1178-178.6-176.262.8165.80111.6T131 V132 S275 C276 L282 N283T131-K279 PolarHBondContact OG1-NZ 3.15Å; V132-K279 HydrophobicContact CG2-CD 3.74Å; V132-K279 HydrophobicContact CG2-CG 4.12Å; V132-K279 VanDerWaalsContact CG2-NZ 3.25Å; S275-K279 WeakPolarHBondContact O-CE 3.44Å; C276-K279 PolarHBondContact O-N 3.02Å; K279-L282 PolarHBondContact O-N 3.14Å; K279-N283 WeakPolarHBondContact O-CB 3.44Å; K279-N283 PolarHBondContact O-N 3.27Å; K279-N283 PolarHBondContact O-ND2 3.07Å
280D92Very high94.3Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-70.6-45.5-174.5-69.13.5000111.1V132 L221 N224 C276 F277 Q278 L282 N283 L284V132-D280 VanDerWaalsContact CG2-OD1 3.27Å; V132-D280 WeakPolarHBondContact CG2-OD1 3.36Å; L221-D280 HydrophobicContact CD1-CB 3.9Å; L221-D280 WeakPolarHBondContact CD1-O 3.25Å; N224-D280 HydrophobicContact CB-CB 4.25Å; N224-D280 WeakPolarHBondContact CB-OD2 3.42Å; N224-D280 PolarHBondContact ND2-OD2 3.12Å; C276-D280 VanDerWaalsContact O-CB 3.25Å; C276-D280 WeakPolarHBondContact O-CB 3.45Å; C276-D280 PolarHBondContact O-N 3.24Å; F277-D280 PolarHBondContact O-N 3.46Å; Q278-D280 VanDerWaalsContact C-N 3.33Å; Q278-D280 PolarHBondContact O-N 3.47Å; D280-L282 PolarHBondContact O-N 3.27Å; D280-N283 PolarHBondContact O-N 3.13Å; D280-L284 PolarHBondContact O-N 3.36Å
281V95.9Very high94.2Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-63.1-43175.7174.80000110.7A225 A228 F277 N283 L284 V285 W300 V303 I304A225-V281 HydrophobicContact CB-CG2 4.06Å; A228-V281 HydrophobicContact CB-CG2 4.14Å; F277-V281 WeakPolarHBondContact O-CG2 3.45Å; F277-V281 PolarHBondContact O-N 3.24Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.05Å; V281-L284 WeakPolarHBondContact O-CB 3.21Å; V281-L284 PolarHBondContact O-N 3.35Å; V281-V285 HydrophobicContact CG1-CG2 4.42Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.4Å; V281-V285 PolarHBondContact O-N 2.9Å; V281-W300 HydrophobicContact CG1-CB 4.38Å; V281-W300 WeakPolarHBondContact CG1-O 3.13Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG2-CG1 4.3Å; V281-I304 HydrophobicContact CB-CD1 3.81Å; V281-I304 HydrophobicContact CB-CG1 4.16Å; V281-I304 HydrophobicContact CG1-CD1 3.87Å; V281-I304 HydrophobicContact CG1-CG1 3.72Å; V281-I304 HydrophobicContact CG2-CD1 4.43Å
282L95.9Very high94.1Very high21 Ų2132.6 Ų32.611%0.1118%0.179CC..Hα-helixtrans-65.2-34.8177.2-70.1173.4000112.8R102 Q278 K279 D280 Y286 I304R102-L282 HydrophobicContact CB-CB 4.26Å; R102-L282 HydrophobicContact CG-CB 4.47Å; R102-L282 HydrophobicContact CG-CD2 4.3Å; Q278-L282 HydrophobicContact CG-CD1 3.9Å; Q278-L282 WeakPolarHBondContact O-CB 3.27Å; Q278-L282 WeakPolarHBondContact O-CG 3.25Å; Q278-L282 PolarHBondContact O-N 2.8Å; K279-L282 PolarHBondContact O-N 3.14Å; D280-L282 PolarHBondContact O-N 3.27Å; L282-Y286 WeakPolarHBondContact O-CB 3.16Å; L282-Y286 PolarHBondContact O-N 2.92Å; L282-I304 HydrophobicContact CD2-CG1 4.12Å; L282-I304 HydrophobicContact CG-CG1 4.25Å
283N93.6Very high94.2Very high10 Ų1036 Ų365%0.05320%0.196CC..Hα-helixtrans-66.1-40.4172-89.5-82.3000111.9R102 A104 V132 L221 K279 D280 V281 Y286 L287R102-N283 PolarHBondContact O-ND2 2.77Å; R102-N283 VanDerWaalsContact O-ND2 3.11Å; A104-N283 VanDerWaalsContact CB-OD1 3.32Å; A104-N283 WeakPolarHBondContact CB-OD1 3.21Å; A104-N283 PolarHBondContact N-OD1 2.95Å; V132-N283 HydrophobicContact CG1-CB 3.85Å; L221-N283 HydrophobicContact CD1-CB 4.31Å; K279-N283 WeakPolarHBondContact O-CB 3.44Å; K279-N283 PolarHBondContact O-N 3.27Å; K279-N283 PolarHBondContact O-ND2 3.07Å; D280-N283 PolarHBondContact O-N 3.13Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.05Å; N283-Y286 PolarHBondContact O-N 3.48Å; N283-L287 WeakPolarHBondContact O-CB 3.36Å; N283-L287 PolarHBondContact O-N 3.15Å
284L95.1Very high94.3Very high9 Ų938.5 Ų38.55%0.04721%0.212CC..Hα-helixtrans-62.2-46.3174.6-179.658.9000111.5L221 A225 D280 V281 Y286 L287 C288 W300L221-L284 HydrophobicContact CD1-CB 4.44Å; L221-L284 HydrophobicContact CD2-CB 3.76Å; L221-L284 HydrophobicContact CD2-CD1 3.75Å; L221-L284 HydrophobicContact CD2-CG 4.31Å; L221-L284 HydrophobicContact CG-CB 3.96Å; L221-L284 HydrophobicContact CG-CD1 4.37Å; A225-L284 HydrophobicContact CB-CD2 3.88Å; D280-L284 PolarHBondContact O-N 3.36Å; V281-L284 WeakPolarHBondContact O-CB 3.21Å; V281-L284 PolarHBondContact O-N 3.35Å; L284-Y286 PolarHBondContact O-N 2.91Å; L284-L287 PolarHBondContact O-N 3.1Å; L284-C288 PolarHBondContact O-N 2.77Å; L284-C288 PolarHBondContact O-SG 3.5Å; L284-W300 HydrophobicContact CD2-CB 4.36Å; L284-W300 HydrophobicContact CD2-CD2 3.79Å; L284-W300 HydrophobicContact CD2-CG 3.67Å; L284-W300 HydrophobicContact CG-CG 4.29Å
285V97.1Very high94.8Very high2 Ų243.4 Ų43.41%0.01223%0.234CC..Hα-helixtrans-57.3-49.5175.5171.70000110.5V281 L287 C288 E289 A297 W300 Q301V281-V285 HydrophobicContact CG1-CG2 4.42Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.4Å; V281-V285 PolarHBondContact O-N 2.9Å; V285-L287 PolarHBondContact O-N 3.24Å; V285-C288 PolarHBondContact O-N 3.39Å; V285-E289 PolarHBondContact O-N 2.83Å; V285-A297 HydrophobicContact CG1-CB 4.14Å; V285-W300 HydrophobicContact CG2-CB 3.96Å; V285-Q301 HydrophobicContact CG2-CB 4.17Å
286Y96.2Very high95.3Very high65 Ų6545.1 Ų45.126%0.25524%0.243SC..Hα-helixtrans-63.3-39.8179.3-178.8-100.6000112.7A103 L282 N283 L284 E289 A290A103-Y286 HydrophobicContact CB-CD1 3.6Å; A103-Y286 HydrophobicContact CB-CD2 4.44Å; A103-Y286 HydrophobicContact CB-CE1 3.59Å; A103-Y286 HydrophobicContact CB-CE2 4.42Å; A103-Y286 HydrophobicContact CB-CG 4.04Å; L282-Y286 WeakPolarHBondContact O-CB 3.16Å; L282-Y286 PolarHBondContact O-N 2.92Å; N283-Y286 PolarHBondContact O-N 3.48Å; L284-Y286 PolarHBondContact O-N 2.91Å; Y286-E289 PolarHBondContact O-N 3.02Å; Y286-A290 WeakPolarHBondContact O-CB 3.32Å; Y286-A290 PolarHBondContact O-N 3.31Å
287L94.3Very high95.9Very high21 Ų2143.7 Ų43.711%0.1123%0.234CC..Hα-helixtrans-60.4-46.7174.3175.362.1000111.1V134 L221 N283 L284 V285 E289 A290 L291V134-L287 HydrophobicContact CG1-CB 4.38Å; V134-L287 HydrophobicContact CG1-CD1 3.61Å; V134-L287 HydrophobicContact CG1-CD2 3.62Å; V134-L287 HydrophobicContact CG1-CG 4.04Å; V134-L287 HydrophobicContact CG2-CD2 4.28Å; L221-L287 HydrophobicContact CD2-CD2 4.48Å; N283-L287 WeakPolarHBondContact O-CB 3.36Å; N283-L287 PolarHBondContact O-N 3.15Å; L284-L287 PolarHBondContact O-N 3.1Å; V285-L287 PolarHBondContact O-N 3.24Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.06Å; L287-A290 PolarHBondContact O-N 2.85Å; L287-L291 HydrophobicContact CD1-CD1 3.73Å; L287-L291 HydrophobicContact CD1-CG 4.11Å; L287-L291 HydrophobicContact CG-CD1 3.96Å; L287-L291 WeakPolarHBondContact O-CB 3.37Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 3.48Å
288C96.9Very high96.1Very high9 Ų948.5 Ų48.56%0.06125%0.251CS..Hα-helixtrans-60-43.8177.6-68.90000111.6L284 V285 L291 N292 L293 V296 A297L284-C288 PolarHBondContact O-N 2.77Å; L284-C288 PolarHBondContact O-SG 3.5Å; V285-C288 PolarHBondContact O-N 3.39Å; C288-L291 CarbonylContact O-C 3.55Å; C288-L291 PolarHBondContact O-N 3.2Å; C288-N292 PolarHBondContact O-N 2.93Å; C288-L293 HydrophobicContact CB-CB 4.24Å; C288-L293 WeakPolarHBondContact O-CA 3.38Å; C288-L293 WeakPolarHBondContact O-CB 3.41Å; C288-L293 PolarHBondContact O-N 2.82Å; C288-V296 HydrophobicContact CB-CB 4.32Å; C288-V296 VanDerWaalsContact SG-CG1 3.52Å; C288-A297 HydrophobicContact CB-CB 3.82Å
289E96.7Very high96.3Very high78 Ų7853.4 Ų53.436%0.36427%0.27SS..Hα-helixtrans-60-47.2174.7-72.5173.9-167.700112.1R102 V285 Y286 L287 L291 N292 A297R102-E289 IonicContact CZ-OE1 3.27Å; R102-E289 IonicContact CZ-OE2 3.39Å; R102-E289 VanDerWaalsContact CZ-OE2 3.22Å; R102-E289 IonicContact NH1-OE1 3.73Å; R102-E289 PolarHBondContact NH1-OE1 2.84Å; R102-E289 IonicContact NH1-OE2 2.68Å; R102-E289 PolarHBondContact NH1-OE2 3Å; R102-E289 IonicContact NH2-OE1 2.81Å; R102-E289 IonicContact NH2-OE2 3.45Å; R102-E289 PolarHBondContact NH2-OE2 3.08Å; V285-E289 PolarHBondContact O-N 2.83Å; Y286-E289 PolarHBondContact O-N 3.02Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.06Å; E289-L291 PolarHBondContact O-N 3.15Å; E289-N292 PolarHBondContact O-N 3.23Å; E289-A297 HydrophobicContact CG-CB 3.84Å
290A94.7Very high96.7Very high66 Ų6653.2 Ų53.255%0.54527%0.268SS..Hα-helixtrans-63.7-24.1179.400000113.2Y286 L287Y286-A290 WeakPolarHBondContact O-CB 3.32Å; Y286-A290 PolarHBondContact O-N 3.31Å; L287-A290 PolarHBondContact O-N 2.85Å
291L95.8Very high97Very high100 Ų10055.3 Ų55.352%0.52428%0.278SS..THydrogen-bonded Turntrans-94.610.6175.7-66.6175.4000113.4L287 C288 E289 L293L287-L291 HydrophobicContact CD1-CD1 3.73Å; L287-L291 HydrophobicContact CD1-CG 4.11Å; L287-L291 HydrophobicContact CG-CD1 3.96Å; L287-L291 WeakPolarHBondContact O-CB 3.37Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 3.48Å; C288-L291 CarbonylContact O-C 3.55Å; C288-L291 PolarHBondContact O-N 3.2Å; E289-L291 PolarHBondContact O-N 3.15Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 HydrophobicContact CB-CD1 4.35Å; L291-L293 HydrophobicContact CB-CG 4.41Å; L291-L293 PolarHBondContact O-N 3.49Å
292N97.8Very high97.2Very high142 Ų14260.7 Ų60.776%0.75930%0.303SS*.THydrogen-bonded Turntrans5840.6-177.2-59.5-52.6000113.7C288 E289 P294C288-N292 PolarHBondContact O-N 2.93Å; E289-N292 PolarHBondContact O-N 3.23Å; N292-P294 WeakPolarHBondContact O-CD 3.47Å
293L98.3Very high97.3Very high79 Ų7960 Ų6041%0.41430%0.299SS..  trans-114.263175.3-61.5174.5000111.5C288 L291 E295 V296 A297C288-L293 HydrophobicContact CB-CB 4.24Å; C288-L293 WeakPolarHBondContact O-CA 3.38Å; C288-L293 WeakPolarHBondContact O-CB 3.41Å; C288-L293 PolarHBondContact O-N 2.82Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 HydrophobicContact CB-CD1 4.35Å; L291-L293 HydrophobicContact CB-CG 4.41Å; L291-L293 PolarHBondContact O-N 3.49Å; L293-E295 VanDerWaalsContact C-N 3.25Å; L293-E295 PolarHBondContact O-N 3.12Å; L293-V296 HydrophobicContact CB-CB 4.22Å; L293-V296 HydrophobicContact CB-CG2 4.15Å; L293-V296 PolarHBondContact O-N 3.4Å; L293-V296 VanDerWaalsContact O-N 3.12Å; L293-A297 PolarHBondContact O-N 3.18Å; L293-A297 VanDerWaalsContact O-N 3.07Å
294P98.1Very high97.5Very high60 Ų6059.7 Ų59.739%0.3930%0.298SS..Hα-helixtrans-66.1-24.7-172.828.9-35.5000113.4N292 R298N292-P294 WeakPolarHBondContact O-CD 3.47Å; P294-R298 VanDerWaalsContact C-NH2 3.33Å; P294-R298 WeakPolarHBondContact O-CG 3.47Å; P294-R298 PolarHBondContact O-N 2.99Å; P294-R298 PolarHBondContact O-NE 3.07Å; P294-R298 PolarHBondContact O-NH2 2.92Å
295E98.8Very high97.7Very high106 Ų10662.2 Ų62.250%0.49531%0.311SS..Hα-helixtrans-62.4-44.4172.1-67.253.4-125.300111.9L293 R298 Y299L293-E295 VanDerWaalsContact C-N 3.25Å; L293-E295 PolarHBondContact O-N 3.12Å; E295-R298 VanDerWaalsContact CA-CZ 3.43Å; E295-R298 VanDerWaalsContact CA-NH1 3.29Å; E295-R298 VanDerWaalsContact O-CG 3.28Å; E295-R298 WeakPolarHBondContact O-CG 3.41Å; E295-R298 IonicContact OE1-CZ 3.51Å; E295-R298 VanDerWaalsContact OE1-CZ 3.31Å; E295-R298 IonicContact OE1-NH1 2.76Å; E295-R298 PolarHBondContact OE1-NH1 2.82Å; E295-R298 IonicContact OE1-NH2 3.17Å; E295-R298 PolarHBondContact OE1-NH2 3.11Å; E295-Y299 PolarHBondContact O-N 2.92Å
296V98.7Very high97.8Very high57 Ų5764.4 Ų64.435%0.34532%0.322SS..Hα-helixtrans-74.2-38.3-178.8-172.90000109.8C288 L293 Y299 W300C288-V296 HydrophobicContact CB-CB 4.32Å; C288-V296 VanDerWaalsContact SG-CG1 3.52Å; L293-V296 HydrophobicContact CB-CB 4.22Å; L293-V296 HydrophobicContact CB-CG2 4.15Å; L293-V296 PolarHBondContact O-N 3.4Å; L293-V296 VanDerWaalsContact O-N 3.12Å; V296-Y299 PolarHBondContact O-N 3.43Å; V296-W300 VanDerWaalsContact O-CD1 3.28Å; V296-W300 PolarHBondContact O-N 3.29Å
297A98.5Very high97.9Very high4 Ų461.3 Ų61.33%0.03331%0.31CS..Hα-helixtrans-57.5-52.9174.400000111.6V285 C288 E289 L293 Y299 W300 Q301V285-A297 HydrophobicContact CG1-CB 4.14Å; C288-A297 HydrophobicContact CB-CB 3.82Å; E289-A297 HydrophobicContact CG-CB 3.84Å; L293-A297 PolarHBondContact O-N 3.18Å; L293-A297 VanDerWaalsContact O-N 3.07Å; A297-Y299 VanDerWaalsContact C-N 3.29Å; A297-Y299 PolarHBondContact O-N 2.98Å; A297-W300 PolarHBondContact O-N 2.79Å; A297-Q301 WeakPolarHBondContact O-CB 3.36Å; A297-Q301 PolarHBondContact O-N 3.01Å
298R98.7Very high98.1Very high133 Ų13362.3 Ų62.350%0.50232%0.315SS..Hα-helixtrans-65.4-31-179.172.9-176.577.6109.74.6113.2P294 E295P294-R298 VanDerWaalsContact C-NH2 3.33Å; P294-R298 WeakPolarHBondContact O-CG 3.47Å; P294-R298 PolarHBondContact O-N 2.99Å; P294-R298 PolarHBondContact O-NE 3.07Å; P294-R298 PolarHBondContact O-NH2 2.92Å; E295-R298 VanDerWaalsContact CA-CZ 3.43Å; E295-R298 VanDerWaalsContact CA-NH1 3.29Å; E295-R298 VanDerWaalsContact O-CG 3.28Å; E295-R298 WeakPolarHBondContact O-CG 3.41Å; E295-R298 IonicContact OE1-CZ 3.51Å; E295-R298 VanDerWaalsContact OE1-CZ 3.31Å; E295-R298 IonicContact OE1-NH1 2.76Å; E295-R298 PolarHBondContact OE1-NH1 2.82Å; E295-R298 IonicContact OE1-NH2 3.17Å; E295-R298 PolarHBondContact OE1-NH2 3.11Å
299Y98.9Very high98.2Very high131 Ų13166.7 Ų66.751%0.51433%0.331SS..Hα-helixtrans-62.3-50.2175.6176.6-92.3000111.5Q229 E295 V296 A297 Q302Q229-Y299 PolarHBondContact NE2-OH 3.22Å; E295-Y299 PolarHBondContact O-N 2.92Å; V296-Y299 PolarHBondContact O-N 3.43Å; A297-Y299 VanDerWaalsContact C-N 3.29Å; A297-Y299 PolarHBondContact O-N 2.98Å; Y299-Q302 PolarHBondContact O-N 2.95Å
300W98.8Very high98.3Very high24 Ų2463 Ų639%0.09131%0.314CS..Hα-helixtrans-74.4-28.5-179.3-70.3113.1000113.1A225 F226 Q229 V281 L284 V285 V296 A297 Q302 V303A225-W300 HydrophobicContact CB-CD2 4.46Å; A225-W300 HydrophobicContact CB-CE3 3.88Å; A225-W300 HydrophobicContact CB-CH2 4.26Å; A225-W300 HydrophobicContact CB-CZ3 3.77Å; F226-W300 AromaticContact CD2-CH2 3.68Å; F226-W300 HydrophobicContact CD2-CH2 3.68Å; F226-W300 HydrophobicContact CD2-CZ2 4.37Å; F226-W300 AromaticContact CE2-CH2 3.61Å; F226-W300 HydrophobicContact CE2-CH2 3.61Å; F226-W300 AromaticContact CE2-CZ2 3.96Å; F226-W300 HydrophobicContact CE2-CZ2 3.96Å; F226-W300 HydrophobicContact CG-CH2 4.38Å; F226-W300 HydrophobicContact CZ-CH2 4.24Å; Q229-W300 HydrophobicContact CB-CZ3 4.2Å; V281-W300 HydrophobicContact CG1-CB 4.38Å; V281-W300 WeakPolarHBondContact CG1-O 3.13Å; L284-W300 HydrophobicContact CD2-CB 4.36Å; L284-W300 HydrophobicContact CD2-CD2 3.79Å; L284-W300 HydrophobicContact CD2-CG 3.67Å; L284-W300 HydrophobicContact CG-CG 4.29Å; V285-W300 HydrophobicContact CG2-CB 3.96Å; V296-W300 VanDerWaalsContact O-CD1 3.28Å; V296-W300 PolarHBondContact O-N 3.29Å; A297-W300 PolarHBondContact O-N 2.79Å; W300-Q302 PolarHBondContact O-N 3.04Å; W300-V303 HydrophobicContact CE3-CG2 4.09Å; W300-V303 WeakPolarHBondContact O-CB 3.5Å; W300-V303 PolarHBondContact O-N 3.49Å; W300-V303 VanDerWaalsContact O-N 3.07Å
301Q98.8Very high98.5Very high44 Ų4459.9 Ų59.921%0.20629%0.288CS..Hα-helixtrans-57.3-33.5175.1-176.658.450.600112.3V285 A297 V303 I304 D305V285-Q301 HydrophobicContact CG2-CB 4.17Å; A297-Q301 WeakPolarHBondContact O-CB 3.36Å; A297-Q301 PolarHBondContact O-N 3.01Å; Q301-V303 PolarHBondContact O-N 3.47Å; Q301-V303 VanDerWaalsContact O-N 3.12Å; Q301-I304 PolarHBondContact O-N 2.81Å; Q301-D305 PolarHBondContact NE2-OD1 2.97Å; Q301-D305 PolarHBondContact O-N 3.02Å
302Q98.9Very high98.6Very high113 Ų11360.5 Ų60.553%0.52828%0.283SS..Hα-helixtrans-59.4-25.4177.7-69.5-59.4-68.900113.9Y299 W300 I304 D305 M306Y299-Q302 PolarHBondContact O-N 2.95Å; W300-Q302 PolarHBondContact O-N 3.04Å; Q302-I304 VanDerWaalsContact C-N 3.33Å; Q302-D305 PolarHBondContact NE2-OD2 3.42Å; Q302-M306 WeakPolarHBondContact O-CB 3.38Å; Q302-M306 PolarHBondContact O-N 3.39Å
303V98.8Very high98.7Very high6 Ų655.1 Ų55.14%0.03625%0.252CS..Hα-helixtrans-64.6-40.5175179.30000110.5A228 Q229 S232 F272 V281 W300 Q301 N307A228-V303 HydrophobicContact CB-CG1 3.75Å; Q229-V303 HydrophobicContact CB-CG2 3.9Å; Q229-V303 HydrophobicContact CG-CG2 4.15Å; S232-V303 WeakPolarHBondContact OG-CG1 3.49Å; S232-V303 PolarHBondContact OG-O 3.22Å; F272-V303 HydrophobicContact CE1-CG1 4.25Å; F272-V303 HydrophobicContact CZ-CG1 4.46Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG2-CG1 4.3Å; W300-V303 HydrophobicContact CE3-CG2 4.09Å; W300-V303 WeakPolarHBondContact O-CB 3.5Å; W300-V303 PolarHBondContact O-N 3.49Å; W300-V303 VanDerWaalsContact O-N 3.07Å; Q301-V303 PolarHBondContact O-N 3.47Å; Q301-V303 VanDerWaalsContact O-N 3.12Å; V303-N307 PolarHBondContact O-N 3.01Å
304I98.5Very high98.7Very high5 Ų551.4 Ų51.43%0.02623%0.233CC..Hα-helixtrans-74.6-46.9176.8-57-49.6000110.7F272 Q278 V281 L282 Q301 Q302 M306 N307 D308F272-I304 HydrophobicContact CZ-CD1 3.96Å; Q278-I304 HydrophobicContact CB-CD1 4.33Å; Q278-I304 HydrophobicContact CG-CD1 4.02Å; V281-I304 HydrophobicContact CB-CD1 3.81Å; V281-I304 HydrophobicContact CB-CG1 4.16Å; V281-I304 HydrophobicContact CG1-CD1 3.87Å; V281-I304 HydrophobicContact CG1-CG1 3.72Å; V281-I304 HydrophobicContact CG2-CD1 4.43Å; L282-I304 HydrophobicContact CD2-CG1 4.12Å; L282-I304 HydrophobicContact CG-CG1 4.25Å; Q301-I304 PolarHBondContact O-N 2.81Å; Q302-I304 VanDerWaalsContact C-N 3.33Å; I304-M306 PolarHBondContact O-N 3.25Å; I304-N307 WeakPolarHBondContact O-CB 3.46Å; I304-N307 PolarHBondContact O-N 3.02Å; I304-D308 PolarHBondContact O-N 3.22Å
305D98.8Very high98.7Very high62 Ų6248.6 Ų48.633%0.33222%0.215SC..Hα-helixtrans-57.6-39.6-177.6-61.8-10.5000111.4Q301 Q302 Y309Q301-D305 PolarHBondContact NE2-OD1 2.97Å; Q301-D305 PolarHBondContact O-N 3.02Å; Q302-D305 PolarHBondContact NE2-OD2 3.42Å; D305-Y309 WeakPolarHBondContact O-CB 3.26Å; D305-Y309 PolarHBondContact O-N 2.83Å
306M98.9Very high98.7Very high48 Ų4846.3 Ų46.324%0.23621%0.211CC..Hα-helixtrans-68.9-38.3175.9-175.555.560.500112.7S232 S236 Q302 I304 Y309 Q310S232-M306 VanDerWaalsContact O-CG 3.31Å; S232-M306 WeakPolarHBondContact O-CG 3.33Å; S236-M306 WeakPolarHBondContact CB-SD 3.48Å; Q302-M306 WeakPolarHBondContact O-CB 3.38Å; Q302-M306 PolarHBondContact O-N 3.39Å; I304-M306 PolarHBondContact O-N 3.25Å; M306-Y309 PolarHBondContact O-N 3.31Å; M306-Y309 HydrophobicContact SD-CD1 3.65Å; M306-Y309 HydrophobicContact SD-CE1 4.27Å; M306-Q310 WeakPolarHBondContact O-CB 3.46Å; M306-Q310 PolarHBondContact O-N 3.32Å
307N98.8Very high98.7Very high0 Ų045.2 Ų45.20%020%0.2CC..Hα-helixtrans-65.3-42176.2-166.756.2000111.7G271 F272 V303 I304 Q310 R311G271-N307 WeakPolarHBondContact CA-OD1 3.47Å; F272-N307 HydrophobicContact CD1-CB 4.08Å; F272-N307 WeakPolarHBondContact CD1-OD1 3.26Å; F272-N307 HydrophobicContact CE1-CB 3.49Å; F272-N307 VanDerWaalsContact CE1-CB 3.49Å; F272-N307 HydrophobicContact CZ-CB 3.78Å; F272-N307 PolarHBondContact N-OD1 2.99Å; F272-N307 PolarHBondContact O-ND2 3.33Å; V303-N307 PolarHBondContact O-N 3.01Å; I304-N307 WeakPolarHBondContact O-CB 3.46Å; I304-N307 PolarHBondContact O-N 3.02Å; N307-Q310 WeakPolarHBondContact O-CB 3.36Å; N307-Q310 PolarHBondContact O-N 3.03Å; N307-R311 PolarHBondContact ND2-NH1 3.35Å; N307-R311 PolarHBondContact ND2-NH2 2.97Å; N307-R311 WeakPolarHBondContact O-CG 3.34Å; N307-R311 PolarHBondContact O-N 3.03Å; N307-R311 VanDerWaalsContact O-N 3.1Å
308D98.6Very high98.7Very high41 Ų4145 Ų4522%0.21920%0.199CC..Hα-helixtrans-69.8-37.3177.2-71.2-17.6000112I304 R311 R312I304-D308 PolarHBondContact O-N 3.22Å; D308-R311 PolarHBondContact O-N 3.01Å; D308-R311 IonicContact OD1-NH1 2.73Å; D308-R311 PolarHBondContact OD1-NH1 3.25Å; D308-R311 VanDerWaalsContact OD1-NH1 3.13Å; D308-R312 WeakPolarHBondContact O-CG 3.48Å; D308-R312 PolarHBondContact O-N 3.28Å
309Y98.8Very high98.6Very high102 Ų10239.8 Ų39.840%0.418%0.18SC..Hα-helixtrans-59.3-45.3169.9165.6-105.2000111.9A239 D305 M306 R311 R312 R313A239-Y309 HydrophobicContact CB-CE1 4.23Å; D305-Y309 WeakPolarHBondContact O-CB 3.26Å; D305-Y309 PolarHBondContact O-N 2.83Å; M306-Y309 PolarHBondContact O-N 3.31Å; M306-Y309 HydrophobicContact SD-CD1 3.65Å; M306-Y309 HydrophobicContact SD-CE1 4.27Å; Y309-R311 VanDerWaalsContact C-N 3.35Å; Y309-R311 PolarHBondContact O-N 2.89Å; Y309-R312 PolarHBondContact O-N 3.41Å; Y309-R313 HydrophobicContact CE2-CB 4.21Å; Y309-R313 WeakPolarHBondContact O-CG 3.36Å; Y309-R313 PolarHBondContact O-N 2.99Å
310Q98.8Very high98.6Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-58.5-44.7178-174.278.3-800112N235 S238 S269 V270 M306 N307 R313 F314N235-Q310 HydrophobicContact CB-CB 4.5Å; N235-Q310 HydrophobicContact CB-CG 4.09Å; N235-Q310 PolarHBondContact O-OE1 2.77Å; N235-Q310 PolarHBondContact OD1-NE2 2.77Å; S238-Q310 PolarHBondContact OG-NE2 2.79Å; S269-Q310 VanDerWaalsContact O-CG 3.27Å; S269-Q310 WeakPolarHBondContact O-CG 3.47Å; S269-Q310 PolarHBondContact O-NE2 3.16Å; V270-Q310 CarbonylContact O-C 3.54Å; V270-Q310 WeakPolarHBondContact O-CG 3.47Å; M306-Q310 WeakPolarHBondContact O-CB 3.46Å; M306-Q310 PolarHBondContact O-N 3.32Å; N307-Q310 WeakPolarHBondContact O-CB 3.36Å; N307-Q310 PolarHBondContact O-N 3.03Å; Q310-R313 VanDerWaalsContact NE2-NH2 3.12Å; Q310-R313 WeakPolarHBondContact O-CG 3.45Å; Q310-R313 VanDerWaalsContact OE1-CZ 3.24Å; Q310-F314 WeakPolarHBondContact O-CB 3.4Å; Q310-F314 PolarHBondContact O-N 3.41Å
311R98.8Very high98.5Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-61.8-49.9175.9-69.2165.3173.5167-10.2111.1V270 F272 N307 D308 Y309 F314 A315 E347 S349 I353V270-R311 WeakPolarHBondContact O-CG 3.4Å; V270-R311 PolarHBondContact O-N 2.9Å; F272-R311 PolarHBondContact O-NH2 2.99Å; N307-R311 PolarHBondContact ND2-NH1 3.35Å; N307-R311 PolarHBondContact ND2-NH2 2.97Å; N307-R311 WeakPolarHBondContact O-CG 3.34Å; N307-R311 PolarHBondContact O-N 3.03Å; N307-R311 VanDerWaalsContact O-N 3.1Å; D308-R311 PolarHBondContact O-N 3.01Å; D308-R311 IonicContact OD1-NH1 2.73Å; D308-R311 PolarHBondContact OD1-NH1 3.25Å; D308-R311 VanDerWaalsContact OD1-NH1 3.13Å; Y309-R311 VanDerWaalsContact C-N 3.35Å; Y309-R311 PolarHBondContact O-N 2.89Å; R311-F314 PolarHBondContact O-N 2.65Å; R311-A315 PolarHBondContact O-N 3.39Å; R311-A315 VanDerWaalsContact O-N 3.17Å; R311-E347 PolarHBondContact NH2-O 2.65Å; R311-E347 VanDerWaalsContact NH2-O 3.09Å; R311-S349 PolarHBondContact NE-OG 3.28Å; R311-S349 VanDerWaalsContact NE-OG 3.15Å; R311-I353 HydrophobicContact CB-CD1 4.48Å; R311-I353 VanDerWaalsContact O-CD1 3.24Å; R311-I353 WeakPolarHBondContact O-CD1 3.48Å
312R98.7Very high98.4Very high113 Ų11336.1 Ų36.143%0.42618%0.175SC..Hα-helixtrans-59.4-51.9-179.9-78.2-172.6-64.9-100.4-1.7112.3D308 Y309 F314 A315 S316 Y356D308-R312 WeakPolarHBondContact O-CG 3.48Å; D308-R312 PolarHBondContact O-N 3.28Å; Y309-R312 PolarHBondContact O-N 3.41Å; R312-F314 PolarHBondContact O-N 2.88Å; R312-A315 PolarHBondContact O-N 3.36Å; R312-S316 PolarHBondContact O-N 3.31Å; R312-S316 PolarHBondContact O-OG 3.38Å; R312-Y356 HydrophobicContact CG-CE1 4.19Å; R312-Y356 HydrophobicContact CG-CE2 4.02Å; R312-Y356 WeakPolarHBondContact CG-OH 3.4Å
313R98.5Very high98.3Very high29 Ų2937.3 Ų37.311%0.10918%0.179CC..Hα-helixtrans-63.3-31.9-176.774.9178.8-166.676.6-5.8112.4S238 E242 Y309 Q310 R317S238-R313 PolarHBondContact OG-NH2 3.45Å; E242-R313 IonicContact OE1-CZ 3.99Å; E242-R313 VanDerWaalsContact OE1-CZ 3.29Å; E242-R313 IonicContact OE1-NH1 2.93Å; E242-R313 PolarHBondContact OE1-NH1 3.48Å; E242-R313 IonicContact OE1-NH2 3.22Å; E242-R313 PolarHBondContact OE1-NH2 3.2Å; E242-R313 IonicContact OE2-CZ 2.8Å; E242-R313 IonicContact OE2-NH1 3.34Å; E242-R313 PolarHBondContact OE2-NH1 2.77Å; Y309-R313 HydrophobicContact CE2-CB 4.21Å; Y309-R313 WeakPolarHBondContact O-CG 3.36Å; Y309-R313 PolarHBondContact O-N 2.99Å; Q310-R313 VanDerWaalsContact NE2-NH2 3.12Å; Q310-R313 WeakPolarHBondContact O-CG 3.45Å; Q310-R313 VanDerWaalsContact OE1-CZ 3.24Å; R313-R317 WeakPolarHBondContact O-CB 3.3Å; R313-R317 PolarHBondContact O-N 3.06Å
314F98.8Very high98.1Very high1 Ų142.5 Ų42.50%0.00421%0.206CC..Hα-helixtrans-70-43.7177-175-105000111.1V270 Q310 R311 R312 R317 I318 I353 V412 F439 I462V270-F314 HydrophobicContact CB-CD1 4.32Å; V270-F314 HydrophobicContact CG2-CB 4.03Å; V270-F314 HydrophobicContact CG2-CD1 3.42Å; V270-F314 VanDerWaalsContact CG2-CD1 3.42Å; V270-F314 HydrophobicContact CG2-CE1 4.02Å; V270-F314 HydrophobicContact CG2-CG 3.83Å; Q310-F314 WeakPolarHBondContact O-CB 3.4Å; Q310-F314 PolarHBondContact O-N 3.41Å; R311-F314 PolarHBondContact O-N 2.65Å; R312-F314 PolarHBondContact O-N 2.88Å; F314-R317 PolarHBondContact O-N 3.14Å; F314-I318 HydrophobicContact CD1-CD1 3.94Å; F314-I318 HydrophobicContact CE1-CD1 3.73Å; F314-I318 HydrophobicContact CZ-CD1 4.36Å; F314-I318 WeakPolarHBondContact O-CG1 3.33Å; F314-I318 PolarHBondContact O-N 2.88Å; F314-I318 VanDerWaalsContact O-N 3.14Å; F314-I353 HydrophobicContact CB-CD1 4.49Å; F314-I353 HydrophobicContact CD1-CD1 3.92Å; F314-I353 HydrophobicContact CD1-CG1 4.33Å; F314-V412 HydrophobicContact CE1-CG1 3.76Å; F314-V412 HydrophobicContact CZ-CG1 4.24Å; F314-F439 HydrophobicContact CE2-CB 4.35Å; F314-F439 HydrophobicContact CZ-CB 3.84Å; F314-I462 HydrophobicContact CD2-CD1 3.8Å; F314-I462 HydrophobicContact CD2-CG1 3.62Å; F314-I462 HydrophobicContact CE2-CD1 4.1Å; F314-I462 HydrophobicContact CE2-CG1 3.84Å; F314-I462 HydrophobicContact CG-CD1 4.36Å
315A98.6Very high98Very high2 Ų245.2 Ų45.22%0.01722%0.223CC..Hα-helixtrans-61.1-46.2173.100000112.1R311 R312 R317 I318 I319 I353 Y356R311-A315 PolarHBondContact O-N 3.39Å; R311-A315 VanDerWaalsContact O-N 3.17Å; R312-A315 PolarHBondContact O-N 3.36Å; A315-R317 VanDerWaalsContact C-N 3.32Å; A315-R317 PolarHBondContact O-N 3.18Å; A315-I318 WeakPolarHBondContact O-CB 3.47Å; A315-I318 PolarHBondContact O-N 2.87Å; A315-I318 VanDerWaalsContact O-N 3.14Å; A315-I319 WeakPolarHBondContact O-CG1 3.4Å; A315-I319 PolarHBondContact O-N 2.78Å; A315-I319 VanDerWaalsContact O-N 3.11Å; A315-I353 HydrophobicContact CB-CD1 4.08Å; A315-Y356 HydrophobicContact CB-CD2 3.71Å; A315-Y356 HydrophobicContact CB-CG 3.95Å
316S98.1Very high98Very high57 Ų5742.2 Ų42.240%0.39921%0.207SC..Hα-helixtrans-57.7-44.1175.7-58.60000111.7R312 I318 I319 D320R312-S316 PolarHBondContact O-N 3.31Å; R312-S316 PolarHBondContact O-OG 3.38Å; S316-I318 VanDerWaalsContact C-N 3.3Å; S316-I318 PolarHBondContact O-N 2.83Å; S316-I319 PolarHBondContact O-N 3.15Å; S316-I319 VanDerWaalsContact O-N 3.08Å; S316-D320 WeakPolarHBondContact O-CB 3.24Å; S316-D320 PolarHBondContact O-N 3.39Å
317R98.1Very high98Very high35 Ų3543.7 Ų43.713%0.13222%0.219CC..Hα-helixtrans-59.3-38.8176.8-174.7174176.6-174.5-7.3112.8E242 R313 F314 A315 S321 E460 T461E242-R317 IonicContact OE1-NH1 3.19Å; E242-R317 IonicContact OE2-NH1 2.84Å; E242-R317 PolarHBondContact OE2-NH1 3.41Å; R313-R317 WeakPolarHBondContact O-CB 3.3Å; R313-R317 PolarHBondContact O-N 3.06Å; F314-R317 PolarHBondContact O-N 3.14Å; A315-R317 VanDerWaalsContact C-N 3.32Å; A315-R317 PolarHBondContact O-N 3.18Å; R317-S321 VanDerWaalsContact O-CB 3.31Å; R317-S321 WeakPolarHBondContact O-CB 3.48Å; R317-S321 PolarHBondContact O-N 3.5Å; R317-S321 PolarHBondContact O-OG 3.48Å; R317-E460 IonicContact CZ-OE2 2.79Å; R317-E460 IonicContact NE-OE2 2.78Å; R317-E460 PolarHBondContact NE-OE2 2.64Å; R317-E460 IonicContact NH2-OE2 3.22Å; R317-E460 PolarHBondContact NH2-OE2 2.85Å; R317-T461 PolarHBondContact NH1-O 2.81Å
318I98.4Very high97.9Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-61.1-48.2174.2-65.1161.8000110.3F314 A315 S316 L322 I353 L357 V412 F439F314-I318 HydrophobicContact CD1-CD1 3.94Å; F314-I318 HydrophobicContact CE1-CD1 3.73Å; F314-I318 HydrophobicContact CZ-CD1 4.36Å; F314-I318 WeakPolarHBondContact O-CG1 3.33Å; F314-I318 PolarHBondContact O-N 2.88Å; F314-I318 VanDerWaalsContact O-N 3.14Å; A315-I318 WeakPolarHBondContact O-CB 3.47Å; A315-I318 PolarHBondContact O-N 2.87Å; A315-I318 VanDerWaalsContact O-N 3.14Å; S316-I318 VanDerWaalsContact C-N 3.3Å; S316-I318 PolarHBondContact O-N 2.83Å; I318-L322 HydrophobicContact CG2-CD1 3.91Å; I318-L322 WeakPolarHBondContact O-CB 3.37Å; I318-L322 VanDerWaalsContact O-CG 3.26Å; I318-L322 WeakPolarHBondContact O-CG 3.18Å; I318-L322 PolarHBondContact O-N 3.39Å; I318-I353 HydrophobicContact CD1-CG2 4.32Å; I318-L357 HydrophobicContact CB-CD2 4.47Å; I318-L357 HydrophobicContact CG2-CD2 3.97Å; I318-V412 HydrophobicContact CD1-CG1 3.74Å; I318-V412 HydrophobicContact CD1-CG2 3.89Å; I318-V412 HydrophobicContact CG1-CG2 4.48Å; I318-F439 HydrophobicContact CB-CD2 4.47Å; I318-F439 HydrophobicContact CB-CE1 4.49Å; I318-F439 HydrophobicContact CB-CE2 4.37Å; I318-F439 HydrophobicContact CB-CZ 4.39Å; I318-F439 HydrophobicContact CD1-CB 4.48Å; I318-F439 HydrophobicContact CG1-CB 4.07Å; I318-F439 HydrophobicContact CG1-CD1 3.78Å; I318-F439 HydrophobicContact CG1-CD2 3.88Å; I318-F439 HydrophobicContact CG1-CE1 4.17Å; I318-F439 HydrophobicContact CG1-CE2 4.24Å; I318-F439 HydrophobicContact CG1-CG 3.63Å; I318-F439 HydrophobicContact CG1-CZ 4.39Å; I318-F439 HydrophobicContact CG2-CD2 4.21Å; I318-F439 HydrophobicContact CG2-CE2 3.99Å; I318-F439 HydrophobicContact CG2-CZ 4.39Å
319I98.3Very high98Very high22 Ų2248.5 Ų48.511%0.11324%0.243CC..Hα-helixtrans-64.8-45.9-178.3-64.8157.6000110.9A315 S316 S321 L322 F323 N324 V326 L357 E360A315-I319 WeakPolarHBondContact O-CG1 3.4Å; A315-I319 PolarHBondContact O-N 2.78Å; A315-I319 VanDerWaalsContact O-N 3.11Å; S316-I319 PolarHBondContact O-N 3.15Å; S316-I319 VanDerWaalsContact O-N 3.08Å; I319-S321 PolarHBondContact O-N 2.71Å; I319-L322 CarbonylContact O-C 3.57Å; I319-L322 PolarHBondContact O-N 3.37Å; I319-L322 VanDerWaalsContact O-N 3.15Å; I319-F323 PolarHBondContact O-N 2.87Å; I319-N324 WeakPolarHBondContact O-CA 3.26Å; I319-N324 PolarHBondContact O-N 3.34Å; I319-V326 HydrophobicContact CG1-CG1 4.36Å; I319-V326 HydrophobicContact CG1-CG2 4.47Å; I319-L357 HydrophobicContact CG1-CD2 4.14Å; I319-E360 HydrophobicContact CD1-CG 3.8Å; I319-E360 HydrophobicContact CG1-CG 4.45Å
320D97.1Very high98Very high93 Ų9345.3 Ų45.350%0.49723%0.232SC..Hα-helixtrans-58.8-49.6178.9-66.5-16.2000110.9S316 L322 F323 N324S316-D320 WeakPolarHBondContact O-CB 3.24Å; S316-D320 PolarHBondContact O-N 3.39Å; D320-L322 PolarHBondContact O-N 3.46Å; D320-F323 PolarHBondContact O-N 2.98Å; D320-N324 WeakPolarHBondContact CA-OD1 3.47Å; D320-N324 PolarHBondContact OD1-OD1 2.69Å
321S96.6Very high98Very high27 Ų2745.3 Ų45.319%0.18923%0.232CC..Hα-helixtrans-67.1-23.8178.7-68.20000113R317 I319 F323 F437 E460R317-S321 VanDerWaalsContact O-CB 3.31Å; R317-S321 WeakPolarHBondContact O-CB 3.48Å; R317-S321 PolarHBondContact O-N 3.5Å; R317-S321 PolarHBondContact O-OG 3.48Å; I319-S321 PolarHBondContact O-N 2.71Å; S321-F323 PolarHBondContact O-N 2.88Å; S321-F437 VanDerWaalsContact O-CZ 3.27Å; S321-F437 WeakPolarHBondContact O-CZ 3.33Å; S321-E460 WeakPolarHBondContact CB-OE1 3.38Å; S321-E460 PolarHBondContact OG-OE1 3.39Å
322L96.9Very high98Very high3 Ų345.3 Ų45.32%0.01623%0.232CC..THydrogen-bonded Turntrans-90.427.5171.3-64.7176.6000112.7I318 I319 D320 V326 K329 I331 H409 A410 F437I318-L322 HydrophobicContact CG2-CD1 3.91Å; I318-L322 WeakPolarHBondContact O-CB 3.37Å; I318-L322 VanDerWaalsContact O-CG 3.26Å; I318-L322 WeakPolarHBondContact O-CG 3.18Å; I318-L322 PolarHBondContact O-N 3.39Å; I319-L322 CarbonylContact O-C 3.57Å; I319-L322 PolarHBondContact O-N 3.37Å; I319-L322 VanDerWaalsContact O-N 3.15Å; D320-L322 PolarHBondContact O-N 3.46Å; L322-V326 HydrophobicContact CB-CG1 3.97Å; L322-V326 HydrophobicContact CD1-CG1 3.67Å; L322-V326 HydrophobicContact CG-CG1 4.48Å; L322-K329 PolarHBondContact O-NZ 3.24Å; L322-I331 HydrophobicContact CD1-CD1 3.9Å; L322-I331 HydrophobicContact CD1-CG1 4.49Å; L322-H409 HydrophobicContact CD2-CB 4.44Å; L322-A410 HydrophobicContact CD1-CB 4.08Å; L322-A410 HydrophobicContact CD2-CB 4.43Å; L322-F437 HydrophobicContact CD2-CD2 3.63Å; L322-F437 HydrophobicContact CD2-CE2 3.96Å; L322-F437 HydrophobicContact CD2-CG 4.31Å
323F96.7Very high98Very high138 Ų13840 Ų4061%0.60521%0.211SC*.THydrogen-bonded Turntrans66.836.5173.4-43.8-73.7000113.8I319 D320 S321 T325 P435I319-F323 PolarHBondContact O-N 2.87Å; D320-F323 PolarHBondContact O-N 2.98Å; S321-F323 PolarHBondContact O-N 2.88Å; F323-T325 PolarHBondContact O-N 2.91Å; F323-P435 HydrophobicContact CE2-CG 4.36Å; F323-P435 HydrophobicContact CZ-CG 4.2Å
324N95.8Very high98Very high115 Ų11538.6 Ų38.662%0.61521%0.206SC*.THydrogen-bonded Turntrans57.825.6-179.8-59.3-46.8000114I319 D320I319-N324 WeakPolarHBondContact O-CA 3.26Å; I319-N324 PolarHBondContact O-N 3.34Å; D320-N324 WeakPolarHBondContact CA-OD1 3.47Å; D320-N324 PolarHBondContact OD1-OD1 2.69Å
325T96.3Very high98Very high61 Ų6138.5 Ų38.537%0.37421%0.206SC..  trans-152.4127.8176.1-178.80000110.9F323 K329F323-T325 PolarHBondContact O-N 2.91Å; T325-K329 VanDerWaalsContact O-CE 3.23Å; T325-K329 WeakPolarHBondContact O-CE 3.32Å; T325-K329 PolarHBondContact O-NZ 3.02Å
326V98.4Very high98Very high0 Ų038.4 Ų38.40%021%0.205CC..  trans-123.47172.8-61.80000113I319 L322 D328 K329 I331 E360 A362I319-V326 HydrophobicContact CG1-CG1 4.36Å; I319-V326 HydrophobicContact CG1-CG2 4.47Å; L322-V326 HydrophobicContact CB-CG1 3.97Å; L322-V326 HydrophobicContact CD1-CG1 3.67Å; L322-V326 HydrophobicContact CG-CG1 4.48Å; V326-D328 PolarHBondContact O-N 2.93Å; V326-K329 WeakPolarHBondContact O-CB 3.41Å; V326-K329 PolarHBondContact O-N 3.04Å; V326-I331 HydrophobicContact CB-CD1 4.22Å; V326-I331 HydrophobicContact CG1-CD1 4.06Å; V326-E360 HydrophobicContact CG2-CB 3.27Å; V326-E360 HydrophobicContact CG2-CG 4.3Å; V326-A362 HydrophobicContact CB-CB 4.1Å; V326-A362 HydrophobicContact CG2-CB 3.97Å; V326-A362 VanDerWaalsContact O-CA 3.32Å; V326-A362 WeakPolarHBondContact O-CA 3.36Å
327T98.3Very high98Very high79 Ų7935.7 Ų35.749%0.48519%0.186SC..THydrogen-bonded Turntrans-55.6128.5175.8-49.80000110.4K329 E360T327-K329 PolarHBondContact O-N 2.81Å; T327-E360 PolarHBondContact N-O 3.36Å; T327-E360 PolarHBondContact OG1-O 2.83Å
328D98.4Very high97.9Very high111 Ų11135.4 Ų35.459%0.59419%0.186SC*.THydrogen-bonded Turntrans61.7-1.1-176.7-59.2-39.3000115.9V326 K330 G361 H363V326-D328 PolarHBondContact O-N 2.93Å; D328-K330 PolarHBondContact O-N 2.76Å; D328-G361 PolarHBondContact N-O 3.22Å; D328-H363 WeakPolarHBondContact CA-ND1 3.47Å; D328-H363 PolarHBondContact O-ND1 2.79Å; D328-H363 VanDerWaalsContact O-ND1 3.13Å; D328-H363 IonicContact OD1-CE1 3.35Å; D328-H363 PolarHBondContact OD1-CE1 3.21Å
329K98.8Very high97.7Very high30 Ų3037.8 Ų37.813%0.1320%0.196CC..  trans-74.6128.8178.9-66.5-168-175.8165.60110.6L322 T325 V326 T327 I331 H363 H409L322-K329 PolarHBondContact O-NZ 3.24Å; T325-K329 VanDerWaalsContact O-CE 3.23Å; T325-K329 WeakPolarHBondContact O-CE 3.32Å; T325-K329 PolarHBondContact O-NZ 3.02Å; V326-K329 WeakPolarHBondContact O-CB 3.41Å; V326-K329 PolarHBondContact O-N 3.04Å; T327-K329 PolarHBondContact O-N 2.81Å; K329-I331 PolarHBondContact O-N 2.99Å; K329-H363 PolarHBondContact O-N 3.02Å; K329-H409 HydrophobicContact CD-CB 4.46Å
330K98.9Very high97.6Very high36 Ų3639.4 Ų39.416%0.15720%0.202CC..EExtended strand (participates in β ladder)trans-69.1125.2166.1-178.8170.9171.3171.90110.7D328 H363 H365 E403 A404 D406 A408 H409D328-K330 PolarHBondContact O-N 2.76Å; K330-H363 CarbonylContact C-O 3.55Å; K330-H363 VanDerWaalsContact CA-O 3.28Å; K330-H363 WeakPolarHBondContact CA-O 3.21Å; K330-H365 VanDerWaalsContact CE-CD2 3.41Å; K330-H365 WeakPolarHBondContact CE-CD2 3.41Å; K330-H365 VanDerWaalsContact CE-CG 3.42Å; K330-H365 PolarHBondContact NZ-ND1 2.84Å; K330-E403 PolarHBondContact NZ-O 3.4Å; K330-A404 WeakPolarHBondContact CE-O 3.41Å; K330-A404 PolarHBondContact NZ-O 2.97Å; K330-D406 WeakPolarHBondContact CD-O 3.25Å; K330-D406 WeakPolarHBondContact CE-O 3.38Å; K330-D406 PolarHBondContact NZ-O 3.4Å; K330-A408 HydrophobicContact CG-CB 4.13Å; K330-H409 PolarHBondContact N-ND1 3.22Å; K330-H409 PolarHBondContact O-N 3.32Å; K330-H409 PolarHBondContact O-ND1 3.36Å
331I98.9Very high97.4Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-127.3127174.7-60.6179.5000108.9L322 V326 K329 I333 L357 A362 H363 L364 H365 A410 V412L322-I331 HydrophobicContact CD1-CD1 3.9Å; L322-I331 HydrophobicContact CD1-CG1 4.49Å; V326-I331 HydrophobicContact CB-CD1 4.22Å; V326-I331 HydrophobicContact CG1-CD1 4.06Å; K329-I331 PolarHBondContact O-N 2.99Å; I331-I333 HydrophobicContact CG2-CD1 4.05Å; I331-L357 HydrophobicContact CD1-CD1 4.35Å; I331-L357 HydrophobicContact CD1-CD2 4.28Å; I331-L357 HydrophobicContact CG2-CD1 4.38Å; I331-A362 HydrophobicContact CD1-CB 3.97Å; I331-H363 PolarHBondContact N-O 3.34Å; I331-L364 HydrophobicContact CB-CD2 4.06Å; I331-L364 HydrophobicContact CG2-CD2 4.49Å; I331-L364 WeakPolarHBondContact O-CA 3.41Å; I331-H365 PolarHBondContact O-N 2.85Å; I331-A410 HydrophobicContact CG1-CB 4.49Å; I331-A410 HydrophobicContact CG2-CB 4.29Å; I331-V412 HydrophobicContact CG2-CG2 3.65Å
332A98.9Very high97.1Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-84.4126.1174.900000110.2H365 A404 A408 A410 V411 V412A332-H365 CarbonylContact C-O 3.47Å; A332-H365 WeakPolarHBondContact CA-O 3.34Å; A332-A404 HydrophobicContact CB-CB 4.16Å; A332-A404 WeakPolarHBondContact CB-O 3.08Å; A332-A408 HydrophobicContact CB-CB 4.33Å; A332-A410 PolarHBondContact N-O 3.45Å; A332-V411 HydrophobicContact CB-CG2 4.36Å; A332-V412 PolarHBondContact O-N 3Å
333I98.9Very high96.8Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-104.4113.2172-53-58.4000108.1I331 L357 L364 H365 I366 Y367 V412I331-I333 HydrophobicContact CG2-CD1 4.05Å; I333-L357 HydrophobicContact CD1-CD1 4.02Å; I333-L364 HydrophobicContact CD1-CD2 4.28Å; I333-L364 HydrophobicContact CG1-CB 4.41Å; I333-L364 HydrophobicContact CG1-CD1 4.41Å; I333-L364 HydrophobicContact CG1-CD2 4.25Å; I333-H365 PolarHBondContact N-O 2.82Å; I333-I366 HydrophobicContact CB-CB 4.4Å; I333-I366 HydrophobicContact CB-CG1 4.06Å; I333-I366 HydrophobicContact CB-CG2 4.28Å; I333-I366 HydrophobicContact CG1-CG1 4.21Å; I333-I366 HydrophobicContact CG2-CG2 4.34Å; I333-I366 WeakPolarHBondContact O-CA 3.31Å; I333-Y367 PolarHBondContact O-N 3.07Å; I333-V412 HydrophobicContact CD1-CB 3.9Å; I333-V412 HydrophobicContact CD1-CG1 4.47Å; I333-V412 HydrophobicContact CD1-CG2 4.23Å
334L98.9Very high96.5Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-102.7111.8178.1-58.9-171.9000109.9Y367 P401 A404 V411 V412 I413 C414 F420 L423L334-Y367 HydrophobicContact CD2-CD1 4.45Å; L334-P401 HydrophobicContact CD2-CB 4.04Å; L334-A404 HydrophobicContact CD2-CB 4.39Å; L334-V411 HydrophobicContact CD1-CG1 3.46Å; L334-V411 VanDerWaalsContact CD1-CG1 3.46Å; L334-V411 HydrophobicContact CG-CG1 3.8Å; L334-V412 PolarHBondContact N-O 3.2Å; L334-I413 HydrophobicContact CB-CG1 4.32Å; L334-I413 HydrophobicContact CD1-CG1 4.47Å; L334-C414 PolarHBondContact O-N 3.13Å; L334-F420 HydrophobicContact CB-CD1 4.48Å; L334-F420 HydrophobicContact CB-CD2 4.31Å; L334-F420 HydrophobicContact CB-CE1 4.12Å; L334-F420 HydrophobicContact CB-CE2 3.91Å; L334-F420 HydrophobicContact CB-CZ 3.82Å; L334-F420 HydrophobicContact CD1-CD1 4.48Å; L334-L423 HydrophobicContact CD1-CD1 4.09Å
335G98.6Very high96.5Very high0 Ų025.2 Ų25.20%014%0.135CC..  trans94.3124.7-177.200000113.1S350 Y367 T415G335-S350 WeakPolarHBondContact O-CB 3.36Å; G335-S350 PolarHBondContact O-OG 2.84Å; G335-Y367 PolarHBondContact N-O 3.06Å; G335-T415 WeakPolarHBondContact CA-OG1 3.22Å; G335-T415 PolarHBondContact O-OG1 3.15Å
336F98.8Very high96.3Very high0 Ų026.9 Ų26.90%013%0.134CC..  trans-122.4-29.1179.3-160-95.9000112.9T345 S348 I351 I366 D368 V371 I376 D379 L380 T415F336-T345 HydrophobicContact CD1-CG2 3.58Å; F336-T345 HydrophobicContact CE1-CG2 3.9Å; F336-S348 VanDerWaalsContact O-CB 3.3Å; F336-S348 WeakPolarHBondContact O-CB 3.45Å; F336-S348 PolarHBondContact O-OG 3.42Å; F336-I351 HydrophobicContact CE1-CG1 3.97Å; F336-I351 HydrophobicContact CE2-CG1 4.37Å; F336-I351 HydrophobicContact CZ-CG1 3.65Å; F336-I366 HydrophobicContact CB-CG2 4.19Å; F336-I366 HydrophobicContact CD2-CD1 4.36Å; F336-I366 HydrophobicContact CD2-CG2 3.76Å; F336-I366 HydrophobicContact CE2-CD1 4.21Å; F336-I366 HydrophobicContact CG-CG2 4.29Å; F336-D368 HydrophobicContact CB-CB 3.87Å; F336-D368 PolarHBondContact N-OD2 2.93Å; F336-V371 HydrophobicContact CB-CG2 4.38Å; F336-V371 HydrophobicContact CD1-CG1 4.1Å; F336-I376 HydrophobicContact CB-CD1 4.28Å; F336-I376 HydrophobicContact CD1-CB 4.37Å; F336-I376 HydrophobicContact CD1-CD1 4.34Å; F336-I376 HydrophobicContact CD1-CG1 3.68Å; F336-I376 HydrophobicContact CD1-CG2 4.41Å; F336-I376 HydrophobicContact CD2-CG2 4.16Å; F336-I376 HydrophobicContact CE1-CB 4.13Å; F336-I376 HydrophobicContact CE1-CG1 3.93Å; F336-I376 HydrophobicContact CE1-CG2 4.1Å; F336-I376 HydrophobicContact CE2-CG2 3.84Å; F336-I376 HydrophobicContact CG-CD1 4.21Å; F336-I376 HydrophobicContact CG-CG1 4.01Å; F336-I376 HydrophobicContact CG-CG2 4.42Å; F336-I376 HydrophobicContact CZ-CB 4.31Å; F336-I376 HydrophobicContact CZ-CG1 4.47Å; F336-I376 HydrophobicContact CZ-CG2 3.8Å; F336-D379 HydrophobicContact CE1-CB 4.06Å; F336-D379 HydrophobicContact CZ-CB 4.08Å; F336-L380 HydrophobicContact CE2-CD1 4.25Å; F336-L380 HydrophobicContact CE2-CD2 4.21Å; F336-L380 HydrophobicContact CE2-CG 4.28Å; F336-L380 HydrophobicContact CZ-CD1 4.47Å; F336-L380 HydrophobicContact CZ-CD2 4.17Å; F336-L380 HydrophobicContact CZ-CG 4.09Å; F336-T415 PolarHBondContact N-OG1 3.02Å
337A97.1Very high96.1Very high0 Ų030 Ų300%015%0.149CC..SBendtrans-59.2152.3171.700000111.4K339 T342 D344 S348 D368 V371 T415 W417A337-K339 WeakPolarHBondContact CB-O 3.25Å; A337-K339 PolarHBondContact O-N 3.34Å; A337-T342 HydrophobicContact CB-CG2 4.35Å; A337-T342 WeakPolarHBondContact CB-O 3.31Å; A337-D344 WeakPolarHBondContact CA-O 3.31Å; A337-S348 PolarHBondContact O-OG 2.89Å; A337-D368 PolarHBondContact N-OD2 2.99Å; A337-V371 HydrophobicContact CB-CG2 3.78Å; A337-T415 HydrophobicContact CB-CG2 4.45Å; A337-T415 VanDerWaalsContact O-CG2 3.25Å; A337-T415 WeakPolarHBondContact O-CG2 3.34Å; A337-T415 PolarHBondContact O-OG1 3.48Å; A337-W417 HydrophobicContact CB-CZ2 4.36Å
338F96.6Very high96.1Very high29 Ų2926.2 Ų26.213%0.12713%0.126CC..SBendtrans-68.2-22.9-176.382.1-91.7000113.4E165 G274 T342 D344 R442E165-F338 HydrophobicContact CB-CZ 4.29Å; G274-F338 VanDerWaalsContact CA-CD2 3.5Å; F338-T342 HydrophobicContact CD1-CG2 4.16Å; F338-T342 HydrophobicContact CE1-CG2 3.88Å; F338-D344 HydrophobicContact CD1-CB 4.03Å; F338-D344 WeakPolarHBondContact CD1-O 3.49Å; F338-D344 HydrophobicContact CE1-CB 3.94Å; F338-D344 PolarHBondContact N-O 2.72Å; F338-R442 PolarHBondContact O-NH2 2.95Å
339K95.3Very high96.1Very high50 Ų5021 Ų2122%0.21710%0.097CC..SBendtrans-151.8170.3173.564.9174.7-69-169.20109.7E165 A337 T342 T415 E416E165-K339 WeakPolarHBondContact O-CE 3.38Å; E165-K339 PolarHBondContact O-NZ 3.04Å; A337-K339 WeakPolarHBondContact CB-O 3.25Å; A337-K339 PolarHBondContact O-N 3.34Å; K339-T342 HydrophobicContact CG-CG2 3.75Å; K339-T342 WeakPolarHBondContact O-CG2 3.35Å; K339-T415 WeakPolarHBondContact O-CG2 3.37Å; K339-E416 WeakPolarHBondContact CA-OE1 2.99Å; K339-E416 WeakPolarHBondContact CB-OE1 3.27Å
340K96.1Very high96.1Very high56 Ų5619.5 Ų19.524%0.2439%0.091CC..THydrogen-bonded Turntrans-67.7163.3173.672.8171.9-170.3175.60113T342 E416 W417 D418K340-T342 VanDerWaalsContact C-N 3.27Å; K340-T342 PolarHBondContact O-N 2.93Å; K340-E416 HydrophobicContact CB-CG 4.28Å; K340-E416 HydrophobicContact CD-CG 4.23Å; K340-E416 WeakPolarHBondContact CD-O 3.46Å; K340-E416 HydrophobicContact CG-CG 4.15Å; K340-E416 PolarHBondContact N-OE1 2.76Å; K340-W417 HydrophobicContact CB-CD2 4.08Å; K340-W417 HydrophobicContact CB-CE3 3.96Å; K340-W417 HydrophobicContact CB-CZ3 4.42Å; K340-D418 VanDerWaalsContact NZ-CG 3.27Å; K340-D418 IonicContact NZ-OD1 2.84Å; K340-D418 PolarHBondContact NZ-OD1 2.86Å; K340-D418 VanDerWaalsContact NZ-OD1 3.12Å; K340-D418 IonicContact NZ-OD2 2.72Å; K340-D418 PolarHBondContact NZ-OD2 2.88Å
341D92.4Very high96.1Very high48 Ų4818.6 Ų18.626%0.2579%0.088SC..THydrogen-bonded Turntrans63.524175-53.2-39.2000115.1W417D341-W417 VanDerWaalsContact CA-CH2 3.44Å; D341-W417 VanDerWaalsContact CA-CZ3 3.47Å; D341-W417 WeakPolarHBondContact OD1-CZ3 3.36Å
342T90.5Very high96.1Very high0 Ų021.7 Ų21.70%010%0.1CC..  trans-142.6157.2172.3-176.80000110.7E165 A337 F338 K339 K340 D344 W417E165-T342 PolarHBondContact OE2-OG1 3.35Å; A337-T342 HydrophobicContact CB-CG2 4.35Å; A337-T342 WeakPolarHBondContact CB-O 3.31Å; F338-T342 HydrophobicContact CD1-CG2 4.16Å; F338-T342 HydrophobicContact CE1-CG2 3.88Å; K339-T342 HydrophobicContact CG-CG2 3.75Å; K339-T342 WeakPolarHBondContact O-CG2 3.35Å; K340-T342 VanDerWaalsContact C-N 3.27Å; K340-T342 PolarHBondContact O-N 2.93Å; T342-D344 HydrophobicContact CG2-CB 4.38Å; T342-D344 WeakPolarHBondContact OG1-CB 3.35Å; T342-D344 PolarHBondContact OG1-N 2.92Å; T342-D344 VanDerWaalsContact OG1-N 3.1Å; T342-W417 WeakPolarHBondContact O-CZ2 3.2Å
343G89.7Confident96.1Very high17 Ų1721.7 Ų21.718%0.17510%0.1CC..  trans-96.85.8168.400000113.3
344D90.8Very high96Very high9 Ų921.7 Ų21.75%0.04810%0.1CC..  trans-77.6132.2-178-175.124.7000112.2E165 A337 F338 T342 R346E165-D344 WeakPolarHBondContact OE2-CB 3.47Å; A337-D344 WeakPolarHBondContact CA-O 3.31Å; F338-D344 HydrophobicContact CD1-CB 4.03Å; F338-D344 WeakPolarHBondContact CD1-O 3.49Å; F338-D344 HydrophobicContact CE1-CB 3.94Å; F338-D344 PolarHBondContact N-O 2.72Å; T342-D344 HydrophobicContact CG2-CB 4.38Å; T342-D344 WeakPolarHBondContact OG1-CB 3.35Å; T342-D344 PolarHBondContact OG1-N 2.92Å; T342-D344 VanDerWaalsContact OG1-N 3.1Å; D344-R346 WeakPolarHBondContact OD1-CB 3.29Å; D344-R346 VanDerWaalsContact OD1-CG 3.26Å; D344-R346 WeakPolarHBondContact OD1-CG 3.45Å; D344-R346 IonicContact OD1-CZ 2.67Å; D344-R346 PolarHBondContact OD1-N 2.73Å; D344-R346 IonicContact OD1-NE 3.9Å; D344-R346 PolarHBondContact OD1-NE 3.47Å; D344-R346 IonicContact OD1-NH2 3.12Å; D344-R346 IonicContact OD2-CZ 3.12Å; D344-R346 IonicContact OD2-NE 2.79Å; D344-R346 PolarHBondContact OD2-NE 2.96Å; D344-R346 IonicContact OD2-NH2 3.79Å; D344-R346 PolarHBondContact OD2-NH2 2.98Å
345T95.9Very high96Very high4 Ų425.1 Ų25.13%0.02512%0.115CC..  trans-112.5-5-177.159.60000112.9F336 E347 S348 I351 V371 Q375 D379F336-T345 HydrophobicContact CD1-CG2 3.58Å; F336-T345 HydrophobicContact CE1-CG2 3.9Å; T345-E347 PolarHBondContact O-N 2.84Å; T345-S348 WeakPolarHBondContact O-CB 3.32Å; T345-S348 PolarHBondContact O-N 2.8Å; T345-I351 WeakPolarHBondContact O-CD1 3.28Å; T345-V371 HydrophobicContact CG2-CB 4.23Å; T345-V371 HydrophobicContact CG2-CG1 3.4Å; T345-V371 HydrophobicContact CG2-CG2 3.67Å; T345-Q375 HydrophobicContact CG2-CG 4.15Å; T345-D379 WeakPolarHBondContact CB-OD2 3.39Å; T345-D379 PolarHBondContact OG1-OD2 3.45Å
346R92.4Very high96Very high95 Ų9528.5 Ų28.536%0.35813%0.128SC..THydrogen-bonded Turntrans-54.2125-177.2-71.3172.5-64.4165.54.6110.9E165 G274 S275 D344 S348E165-R346 IonicContact OE1-NH2 2.74Å; E165-R346 PolarHBondContact OE1-NH2 2.73Å; E165-R346 IonicContact OE2-NH2 2.67Å; G274-R346 CarbonylContact C-O 3.58Å; G274-R346 WeakPolarHBondContact CA-O 3.28Å; G274-R346 PolarHBondContact N-O 2.75Å; S275-R346 VanDerWaalsContact CB-CZ 3.4Å; S275-R346 VanDerWaalsContact CB-NH1 3.33Å; S275-R346 VanDerWaalsContact OG-CZ 3.28Å; S275-R346 PolarHBondContact OG-NH1 3.39Å; S275-R346 VanDerWaalsContact OG-NH1 3.15Å; S275-R346 PolarHBondContact OG-NH2 3.31Å; D344-R346 WeakPolarHBondContact OD1-CB 3.29Å; D344-R346 VanDerWaalsContact OD1-CG 3.26Å; D344-R346 WeakPolarHBondContact OD1-CG 3.45Å; D344-R346 IonicContact OD1-CZ 2.67Å; D344-R346 PolarHBondContact OD1-N 2.73Å; D344-R346 IonicContact OD1-NE 3.9Å; D344-R346 PolarHBondContact OD1-NE 3.47Å; D344-R346 IonicContact OD1-NH2 3.12Å; D344-R346 IonicContact OD2-CZ 3.12Å; D344-R346 IonicContact OD2-NE 2.79Å; D344-R346 PolarHBondContact OD2-NE 2.96Å; D344-R346 IonicContact OD2-NH2 3.79Å; D344-R346 PolarHBondContact OD2-NH2 2.98Å; R346-S348 PolarHBondContact O-N 3.17Å; R346-S348 VanDerWaalsContact O-N 3.07Å
347E94.7Very high96Very high66 Ų6628.5 Ų28.531%0.30813%0.128SC..THydrogen-bonded Turntrans53.922.9-177.7-52.3-58.7136.400114.2G273 Q278 R311 T345 S349 Y352G273-E347 WeakPolarHBondContact CA-O 3.29Å; Q278-E347 PolarHBondContact NE2-OE2 2.91Å; R311-E347 PolarHBondContact NH2-O 2.65Å; R311-E347 VanDerWaalsContact NH2-O 3.09Å; T345-E347 PolarHBondContact O-N 2.84Å; E347-S349 PolarHBondContact O-N 2.97Å; E347-Y352 PolarHBondContact OE2-OH 3.07Å
348S98.2Very high96Very high0 Ų028.7 Ų28.70%013%0.129CC..  trans-61.5132178178.80000110.7F336 A337 T345 R346 S350 I351 Y352F336-S348 VanDerWaalsContact O-CB 3.3Å; F336-S348 WeakPolarHBondContact O-CB 3.45Å; F336-S348 PolarHBondContact O-OG 3.42Å; A337-S348 PolarHBondContact O-OG 2.89Å; T345-S348 WeakPolarHBondContact O-CB 3.32Å; T345-S348 PolarHBondContact O-N 2.8Å; R346-S348 PolarHBondContact O-N 3.17Å; R346-S348 VanDerWaalsContact O-N 3.07Å; S348-S350 PolarHBondContact O-N 2.86Å; S348-S350 PolarHBondContact OG-N 2.98Å; S348-S350 PolarHBondContact OG-OG 3.12Å; S348-I351 WeakPolarHBondContact O-CB 3.43Å; S348-I351 PolarHBondContact O-N 3.27Å; S348-Y352 WeakPolarHBondContact O-CD2 3.47Å
349S98.3Very high96.1Very high0 Ų032.6 Ų32.60%015%0.151CC..Hα-helixtrans-59.7-26174.5-65.40000112.1G271 R311 E347 I351 Y352 I353G271-S349 VanDerWaalsContact C-OG 3.29Å; G271-S349 PolarHBondContact O-OG 2.98Å; R311-S349 PolarHBondContact NE-OG 3.28Å; R311-S349 VanDerWaalsContact NE-OG 3.15Å; E347-S349 PolarHBondContact O-N 2.97Å; S349-I351 PolarHBondContact O-N 3.48Å; S349-Y352 PolarHBondContact O-N 2.73Å; S349-I353 WeakPolarHBondContact O-CG1 3.32Å; S349-I353 PolarHBondContact O-N 2.66Å
350S98.5Very high96.2Very high0 Ų034.6 Ų34.60%016%0.161CC..Hα-helixtrans-59.7-33.6174.5-51.10000112.8G335 S348 S354 C414G335-S350 WeakPolarHBondContact O-CB 3.36Å; G335-S350 PolarHBondContact O-OG 2.84Å; S348-S350 PolarHBondContact O-N 2.86Å; S348-S350 PolarHBondContact OG-N 2.98Å; S348-S350 PolarHBondContact OG-OG 3.12Å; S350-S354 WeakPolarHBondContact O-CB 3.42Å; S350-S354 PolarHBondContact O-N 2.9Å; S350-S354 PolarHBondContact O-OG 2.91Å; S350-C414 WeakPolarHBondContact OG-CB 3.47Å
351I98.6Very high96.3Very high16 Ų1632.5 Ų32.58%0.08216%0.156CC..Hα-helixtrans-62.7-50.2175.8-63.2168.7000109.6F336 T345 S348 S349 S354 K355 D379 L380F336-I351 HydrophobicContact CE1-CG1 3.97Å; F336-I351 HydrophobicContact CE2-CG1 4.37Å; F336-I351 HydrophobicContact CZ-CG1 3.65Å; T345-I351 WeakPolarHBondContact O-CD1 3.28Å; S348-I351 WeakPolarHBondContact O-CB 3.43Å; S348-I351 PolarHBondContact O-N 3.27Å; S349-I351 PolarHBondContact O-N 3.48Å; I351-S354 PolarHBondContact O-N 3.23Å; I351-K355 HydrophobicContact CG2-CD 4.24Å; I351-K355 WeakPolarHBondContact O-CG 3.16Å; I351-K355 PolarHBondContact O-N 2.84Å; I351-D379 HydrophobicContact CD1-CB 3.8Å; I351-D379 HydrophobicContact CG1-CB 4.01Å; I351-L380 HydrophobicContact CG2-CD2 4.29Å
352Y98.3Very high96.5Very high65 Ų6530.2 Ų30.226%0.25514%0.144SC..Hα-helixtrans-66-45.6-177.8-64.5-89.4000112.1E347 S348 S349 S354 K355 Y356E347-Y352 PolarHBondContact OE2-OH 3.07Å; S348-Y352 WeakPolarHBondContact O-CD2 3.47Å; S349-Y352 PolarHBondContact O-N 2.73Å; Y352-S354 VanDerWaalsContact C-N 3.32Å; Y352-S354 PolarHBondContact O-N 3.46Å; Y352-K355 PolarHBondContact O-N 2.8Å; Y352-Y356 WeakPolarHBondContact O-CD2 3.5Å; Y352-Y356 PolarHBondContact O-N 2.91Å
353I98.8Very high96.9Very high0 Ų032.7 Ų32.70%016%0.155CC..Hα-helixtrans-61.1-43.7176.9-62.2-52.8000110.7V270 R311 F314 A315 I318 S349 K355 Y356 L357 V412V270-I353 HydrophobicContact CG2-CD1 3.73Å; V270-I353 HydrophobicContact CG2-CG1 3.72Å; R311-I353 HydrophobicContact CB-CD1 4.48Å; R311-I353 VanDerWaalsContact O-CD1 3.24Å; R311-I353 WeakPolarHBondContact O-CD1 3.48Å; F314-I353 HydrophobicContact CB-CD1 4.49Å; F314-I353 HydrophobicContact CD1-CD1 3.92Å; F314-I353 HydrophobicContact CD1-CG1 4.33Å; A315-I353 HydrophobicContact CB-CD1 4.08Å; I318-I353 HydrophobicContact CD1-CG2 4.32Å; S349-I353 WeakPolarHBondContact O-CG1 3.32Å; S349-I353 PolarHBondContact O-N 2.66Å; I353-K355 PolarHBondContact O-N 2.76Å; I353-Y356 PolarHBondContact O-N 3.22Å; I353-L357 HydrophobicContact CG2-CD1 4.1Å; I353-L357 WeakPolarHBondContact O-CG 3.36Å; I353-L357 PolarHBondContact O-N 3.45Å; I353-L357 VanDerWaalsContact O-N 3.14Å; I353-V412 HydrophobicContact CG2-CG1 4.36Å
354S98.8Very high97.4Very high0 Ų031.9 Ų31.90%015%0.147CC..Hα-helixtrans-61-45.4177-59.60000111.4S350 I351 Y352 L357 M358S350-S354 WeakPolarHBondContact O-CB 3.42Å; S350-S354 PolarHBondContact O-N 2.9Å; S350-S354 PolarHBondContact O-OG 2.91Å; I351-S354 PolarHBondContact O-N 3.23Å; Y352-S354 VanDerWaalsContact C-N 3.32Å; Y352-S354 PolarHBondContact O-N 3.46Å; S354-L357 PolarHBondContact O-N 3.11Å; S354-M358 WeakPolarHBondContact O-CB 3.4Å; S354-M358 VanDerWaalsContact O-CG 3.24Å; S354-M358 WeakPolarHBondContact O-CG 3.49Å; S354-M358 PolarHBondContact O-N 3Å
355K98.2Very high97.8Very high73 Ų7332.9 Ų32.932%0.31715%0.151SC..Hα-helixtrans-61.3-46178-73.8-177.1-179.3-178.40112.5I351 Y352 I353 L357 M358 D359 D379 L380I351-K355 HydrophobicContact CG2-CD 4.24Å; I351-K355 WeakPolarHBondContact O-CG 3.16Å; I351-K355 PolarHBondContact O-N 2.84Å; Y352-K355 PolarHBondContact O-N 2.8Å; I353-K355 PolarHBondContact O-N 2.76Å; K355-L357 VanDerWaalsContact C-N 3.26Å; K355-L357 PolarHBondContact O-N 3.36Å; K355-M358 PolarHBondContact O-N 3.18Å; K355-M358 VanDerWaalsContact O-N 3.17Å; K355-D359 PolarHBondContact O-N 3.37Å; K355-D379 WeakPolarHBondContact CE-O 3.35Å; K355-D379 PolarHBondContact NZ-O 3.23Å; K355-L380 HydrophobicContact CG-CD2 4.23Å
356Y98.4Very high97.9Very high70 Ų7032.7 Ų32.728%0.27515%0.15SC..Hα-helixtrans-57.4-38.7175.1-69.3-52.3000112.8R312 A315 Y352 I353 E360R312-Y356 HydrophobicContact CG-CE1 4.19Å; R312-Y356 HydrophobicContact CG-CE2 4.02Å; R312-Y356 WeakPolarHBondContact CG-OH 3.4Å; A315-Y356 HydrophobicContact CB-CD2 3.71Å; A315-Y356 HydrophobicContact CB-CG 3.95Å; Y352-Y356 WeakPolarHBondContact O-CD2 3.5Å; Y352-Y356 PolarHBondContact O-N 2.91Å; I353-Y356 PolarHBondContact O-N 3.22Å; Y356-E360 WeakPolarHBondContact O-CG 3.42Å
357L98.6Very high98.2Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-76.3-33.9178.5-63.9173.6000112.7I318 I319 I331 I333 I353 S354 K355 E360 G361 A362 L364I318-L357 HydrophobicContact CB-CD2 4.47Å; I318-L357 HydrophobicContact CG2-CD2 3.97Å; I319-L357 HydrophobicContact CG1-CD2 4.14Å; I331-L357 HydrophobicContact CD1-CD1 4.35Å; I331-L357 HydrophobicContact CD1-CD2 4.28Å; I331-L357 HydrophobicContact CG2-CD1 4.38Å; I333-L357 HydrophobicContact CD1-CD1 4.02Å; I353-L357 HydrophobicContact CG2-CD1 4.1Å; I353-L357 WeakPolarHBondContact O-CG 3.36Å; I353-L357 PolarHBondContact O-N 3.45Å; I353-L357 VanDerWaalsContact O-N 3.14Å; S354-L357 PolarHBondContact O-N 3.11Å; K355-L357 VanDerWaalsContact C-N 3.26Å; K355-L357 PolarHBondContact O-N 3.36Å; L357-E360 PolarHBondContact O-N 3.15Å; L357-G361 PolarHBondContact O-N 3.41Å; L357-A362 HydrophobicContact CB-CB 4.1Å; L357-A362 VanDerWaalsContact O-CB 3.27Å; L357-A362 WeakPolarHBondContact O-CB 3.39Å; L357-A362 PolarHBondContact O-N 3.49Å; L357-L364 HydrophobicContact CB-CD2 3.98Å; L357-L364 HydrophobicContact CD1-CD2 4.12Å
358M98.2Very high98.4Very high4 Ų427 Ų272%0.0213%0.127CC..Hα-helixtrans-66.4-37.1174.3-73.2165.559.700111.9S354 K355 E360 G361 L364 L380 Q390 V391 L394 V395S354-M358 WeakPolarHBondContact O-CB 3.4Å; S354-M358 VanDerWaalsContact O-CG 3.24Å; S354-M358 WeakPolarHBondContact O-CG 3.49Å; S354-M358 PolarHBondContact O-N 3Å; K355-M358 PolarHBondContact O-N 3.18Å; K355-M358 VanDerWaalsContact O-N 3.17Å; M358-E360 PolarHBondContact O-N 3.45Å; M358-G361 PolarHBondContact O-N 3.38Å; M358-L364 HydrophobicContact CG-CD1 3.72Å; M358-L364 HydrophobicContact CG-CG 4.3Å; M358-L364 HydrophobicContact SD-CD1 4.22Å; M358-L380 HydrophobicContact SD-CB 4.41Å; M358-L380 HydrophobicContact SD-CD1 4.22Å; M358-L380 HydrophobicContact SD-CD2 4.39Å; M358-Q390 HydrophobicContact CE-CG 4.06Å; M358-Q390 PolarHBondContact O-NE2 2.91Å; M358-V391 HydrophobicContact CE-CG2 3.99Å; M358-L394 HydrophobicContact CB-CD1 4.18Å; M358-L394 HydrophobicContact CG-CD1 4.46Å; M358-L394 WeakPolarHBondContact O-CD1 3.33Å; M358-V395 HydrophobicContact CE-CG2 4.13Å; M358-V395 HydrophobicContact CG-CG2 4.43Å; M358-V395 HydrophobicContact SD-CG2 3.82Å
359D97Very high98.4Very high112 Ų11229 Ų2960%0.59914%0.14SC*.Hα-helixtrans-63.4-26.5176.4-69.5-16.4000111.7K355K355-D359 PolarHBondContact O-N 3.37Å
360E97.5Very high98.2Very high91 Ų9133.8 Ų33.843%0.42516%0.161SC..THydrogen-bonded Turntrans-92.93.8174.8-62.1-68162.100113.5I319 V326 T327 Y356 L357 M358I319-E360 HydrophobicContact CD1-CG 3.8Å; I319-E360 HydrophobicContact CG1-CG 4.45Å; V326-E360 HydrophobicContact CG2-CB 3.27Å; V326-E360 HydrophobicContact CG2-CG 4.3Å; T327-E360 PolarHBondContact N-O 3.36Å; T327-E360 PolarHBondContact OG1-O 2.83Å; Y356-E360 WeakPolarHBondContact O-CG 3.42Å; L357-E360 PolarHBondContact O-N 3.15Å; M358-E360 PolarHBondContact O-N 3.45Å
361G97.8Very high98.1Very high13 Ų1334.4 Ų34.413%0.13416%0.164CC..THydrogen-bonded Turntrans81.223.5174.500000115.8D328 L357 M358D328-G361 PolarHBondContact N-O 3.22Å; L357-G361 PolarHBondContact O-N 3.41Å; M358-G361 PolarHBondContact O-N 3.38Å
362A98.6Very high97.9Very high0 Ų037 Ų370%018%0.183CC..  trans-72144.4175.700000112.8V326 I331 L357 L364V326-A362 HydrophobicContact CB-CB 4.1Å; V326-A362 HydrophobicContact CG2-CB 3.97Å; V326-A362 VanDerWaalsContact O-CA 3.32Å; V326-A362 WeakPolarHBondContact O-CA 3.36Å; I331-A362 HydrophobicContact CD1-CB 3.97Å; L357-A362 HydrophobicContact CB-CB 4.1Å; L357-A362 VanDerWaalsContact O-CB 3.27Å; L357-A362 WeakPolarHBondContact O-CB 3.39Å; L357-A362 PolarHBondContact O-N 3.49Å; A362-L364 HydrophobicContact CB-CD2 3.96Å
363H98.8Very high97.8Very high52 Ų5240.3 Ų40.324%0.24119%0.194CC..EExtended strand (participates in β ladder)trans-89.1103.3169.3-68.1115.4000109.6D328 K329 K330 I331 L394D328-H363 WeakPolarHBondContact CA-ND1 3.47Å; D328-H363 PolarHBondContact O-ND1 2.79Å; D328-H363 VanDerWaalsContact O-ND1 3.13Å; D328-H363 IonicContact OD1-CE1 3.35Å; D328-H363 PolarHBondContact OD1-CE1 3.21Å; K329-H363 PolarHBondContact O-N 3.02Å; K330-H363 CarbonylContact C-O 3.55Å; K330-H363 VanDerWaalsContact CA-O 3.28Å; K330-H363 WeakPolarHBondContact CA-O 3.21Å; I331-H363 PolarHBondContact N-O 3.34Å; H363-L394 CarbonylContact C-O 3.48Å; H363-L394 WeakPolarHBondContact CA-O 3.13Å
364L98.9Very high97.6Very high0 Ų046.4 Ų46.40%022%0.223CC..EExtended strand (participates in β ladder)trans-86.9130.3-177-56.1-171.8000111.3I331 I333 L357 M358 A362 I366 L394 T396I331-L364 HydrophobicContact CB-CD2 4.06Å; I331-L364 HydrophobicContact CG2-CD2 4.49Å; I331-L364 WeakPolarHBondContact O-CA 3.41Å; I333-L364 HydrophobicContact CD1-CD2 4.28Å; I333-L364 HydrophobicContact CG1-CB 4.41Å; I333-L364 HydrophobicContact CG1-CD1 4.41Å; I333-L364 HydrophobicContact CG1-CD2 4.25Å; L357-L364 HydrophobicContact CB-CD2 3.98Å; L357-L364 HydrophobicContact CD1-CD2 4.12Å; M358-L364 HydrophobicContact CG-CD1 3.72Å; M358-L364 HydrophobicContact CG-CG 4.3Å; M358-L364 HydrophobicContact SD-CD1 4.22Å; A362-L364 HydrophobicContact CB-CD2 3.96Å; L364-I366 HydrophobicContact CB-CG1 4.22Å; L364-L394 PolarHBondContact N-O 3.25Å; L364-T396 PolarHBondContact O-N 3.45Å
365H98.9Very high97.4Very high29 Ų2950.1 Ų50.113%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-111.9109.6165.8-76.8-118.3000109.5K330 I331 A332 I333 T396 E403 A404K330-H365 VanDerWaalsContact CE-CD2 3.41Å; K330-H365 WeakPolarHBondContact CE-CD2 3.41Å; K330-H365 VanDerWaalsContact CE-CG 3.42Å; K330-H365 PolarHBondContact NZ-ND1 2.84Å; I331-H365 PolarHBondContact O-N 2.85Å; A332-H365 CarbonylContact C-O 3.47Å; A332-H365 WeakPolarHBondContact CA-O 3.34Å; I333-H365 PolarHBondContact N-O 2.82Å; H365-T396 CarbonylContact C-O 3.53Å; H365-T396 VanDerWaalsContact CA-O 3.27Å; H365-T396 WeakPolarHBondContact CA-O 3.35Å; H365-E403 IonicContact CE1-OE1 3.39Å; H365-E403 IonicContact ND1-OE1 3.24Å; H365-E403 PolarHBondContact ND1-OE1 3.37Å; H365-A404 HydrophobicContact CB-CB 4.07Å
366I98.9Very high97.3Very high0 Ų046.7 Ų46.70%023%0.226CC..EExtended strand (participates in β ladder)trans-104.5128.2-169.3-49.6-177.4000109.8I333 F336 L364 I376 L380 V395 T396 S398I333-I366 HydrophobicContact CB-CB 4.4Å; I333-I366 HydrophobicContact CB-CG1 4.06Å; I333-I366 HydrophobicContact CB-CG2 4.28Å; I333-I366 HydrophobicContact CG1-CG1 4.21Å; I333-I366 HydrophobicContact CG2-CG2 4.34Å; I333-I366 WeakPolarHBondContact O-CA 3.31Å; F336-I366 HydrophobicContact CB-CG2 4.19Å; F336-I366 HydrophobicContact CD2-CD1 4.36Å; F336-I366 HydrophobicContact CD2-CG2 3.76Å; F336-I366 HydrophobicContact CE2-CD1 4.21Å; F336-I366 HydrophobicContact CG-CG2 4.29Å; L364-I366 HydrophobicContact CB-CG1 4.22Å; I366-I376 HydrophobicContact CD1-CG2 3.9Å; I366-I376 HydrophobicContact CG2-CD1 4.16Å; I366-I376 HydrophobicContact CG2-CG2 4.42Å; I366-L380 HydrophobicContact CD1-CD1 3.59Å; I366-V395 HydrophobicContact CD1-CG1 3.79Å; I366-V395 HydrophobicContact CG1-CG1 4.32Å; I366-T396 PolarHBondContact N-O 3.04Å; I366-S398 PolarHBondContact O-N 3.5Å
367Y98.9Very high97.2Very high28 Ų2845.8 Ų45.811%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-125.2128.4172.1174.8-99.6000110.9I333 L334 G335 K399 P401 M419 F420I333-Y367 PolarHBondContact O-N 3.07Å; L334-Y367 HydrophobicContact CD2-CD1 4.45Å; G335-Y367 PolarHBondContact N-O 3.06Å; Y367-K399 WeakPolarHBondContact CE2-O 3.44Å; Y367-P401 HydrophobicContact CD1-CB 3.74Å; Y367-P401 HydrophobicContact CD1-CG 4.25Å; Y367-P401 HydrophobicContact CE1-CB 4.05Å; Y367-P401 HydrophobicContact CE1-CG 4.05Å; Y367-P401 HydrophobicContact CG-CB 4.22Å; Y367-M419 HydrophobicContact CE1-CE 3.84Å; Y367-M419 HydrophobicContact CE1-SD 4.08Å; Y367-M419 WeakPolarHBondContact OH-CE 3.17Å; Y367-F420 AromaticContact CD1-CE1 3.92Å; Y367-F420 HydrophobicContact CD1-CE1 3.92Å; Y367-F420 HydrophobicContact CD1-CZ 4.32Å; Y367-F420 AromaticContact CE1-CE1 3.96Å; Y367-F420 HydrophobicContact CE1-CE1 3.96Å
368D98.7Very high97Very high15 Ų1550.4 Ų50.48%0.0826%0.255CS..  trans-139.3136.2167.3-172.8-73.2000109.4F336 A337 K370 V371 W417F336-D368 HydrophobicContact CB-CB 3.87Å; F336-D368 PolarHBondContact N-OD2 2.93Å; A337-D368 PolarHBondContact N-OD2 2.99Å; D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.47Å; D368-K370 PolarHBondContact OD1-N 3Å; D368-V371 HydrophobicContact CB-CB 4.02Å; D368-V371 HydrophobicContact CB-CG2 4.13Å; D368-V371 WeakPolarHBondContact OD1-CG2 3.45Å; D368-V371 PolarHBondContact OD1-N 3.29Å; D368-W417 PolarHBondContact OD2-NE1 2.75Å
369P97Very high96.9Very high40 Ų4051.6 Ų51.626%0.2626%0.262SS..SBendtrans-71.9-15.3-175.328.7-37.1000114.9W417 M419P369-W417 HydrophobicContact CG-CD2 3.51Å; P369-W417 VanDerWaalsContact CG-CE2 3.48Å; P369-W417 HydrophobicContact CG-CE3 3.9Å; P369-W417 HydrophobicContact CG-CG 3.87Å; P369-W417 HydrophobicContact CG-CH2 4.21Å; P369-W417 HydrophobicContact CG-CZ2 3.86Å; P369-W417 HydrophobicContact CG-CZ3 4.22Å; P369-M419 HydrophobicContact CB-SD 3.9Å; P369-M419 HydrophobicContact CG-SD 4Å
370K95Very high96.8Very high102 Ų10246.4 Ų46.444%0.44323%0.234SC..SBendtrans-131.9-21.1-172.5-65.1-61.7176.5-168.40114.9D368 P372 W417D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.47Å; D368-K370 PolarHBondContact OD1-N 3Å; K370-P372 WeakPolarHBondContact O-CD 3.17Å; K370-W417 HydrophobicContact CB-CH2 4.02Å; K370-W417 HydrophobicContact CB-CZ2 4.07Å; K370-W417 HydrophobicContact CG-CH2 3.52Å; K370-W417 HydrophobicContact CG-CZ2 4.03Å; K370-W417 HydrophobicContact CG-CZ3 4.28Å
371V95.6Very high96.6Very high12 Ų1242.7 Ų42.77%0.07322%0.218CC..SBendtrans-74.6126.7178.4-179.40000110.6F336 A337 T345 D368 Q375 I376F336-V371 HydrophobicContact CB-CG2 4.38Å; F336-V371 HydrophobicContact CD1-CG1 4.1Å; A337-V371 HydrophobicContact CB-CG2 3.78Å; T345-V371 HydrophobicContact CG2-CB 4.23Å; T345-V371 HydrophobicContact CG2-CG1 3.4Å; T345-V371 HydrophobicContact CG2-CG2 3.67Å; D368-V371 HydrophobicContact CB-CB 4.02Å; D368-V371 HydrophobicContact CB-CG2 4.13Å; D368-V371 WeakPolarHBondContact OD1-CG2 3.45Å; D368-V371 PolarHBondContact OD1-N 3.29Å; V371-Q375 HydrophobicContact CG1-CB 4.23Å; V371-Q375 HydrophobicContact CG1-CG 4.49Å; V371-I376 HydrophobicContact CB-CD1 4.43Å; V371-I376 HydrophobicContact CB-CG1 4.38Å; V371-I376 HydrophobicContact CG1-CD1 4.1Å; V371-I376 HydrophobicContact CG1-CG1 3.54Å
372P94.8Very high95.8Very high72 Ų7247 Ų4747%0.46823%0.234SC..  trans-61.8142.3174.1-22.634.1000112.5K370 E374 Q375 I376K370-P372 WeakPolarHBondContact O-CD 3.17Å; P372-E374 VanDerWaalsContact C-N 3.25Å; P372-E374 PolarHBondContact O-N 2.68Å; P372-Q375 HydrophobicContact CB-CB 4.37Å; P372-Q375 WeakPolarHBondContact O-CB 3.5Å; P372-Q375 PolarHBondContact O-N 3.12Å; P372-Q375 VanDerWaalsContact O-N 3.08Å; P372-I376 PolarHBondContact O-N 3.44Å
373R96.2Very high94.7Very high133 Ų13353.3 Ų53.350%0.50228%0.275SS..Hα-helixtrans-52.6-45.9178.9-179.8-173.2173.496.71.1111.6Q375 I376 V377 I397R373-Q375 VanDerWaalsContact C-N 3.26Å; R373-Q375 PolarHBondContact O-N 3.11Å; R373-I376 PolarHBondContact O-N 2.83Å; R373-V377 PolarHBondContact O-N 3.19Å; R373-I397 HydrophobicContact CB-CD1 4.3Å; R373-I397 HydrophobicContact CB-CG2 4.26Å; R373-I397 HydrophobicContact CG-CB 3.97Å; R373-I397 HydrophobicContact CG-CD1 3.41Å; R373-I397 VanDerWaalsContact CG-CD1 3.41Å; R373-I397 HydrophobicContact CG-CG1 4.28Å; R373-I397 HydrophobicContact CG-CG2 3.95Å; R373-I397 PolarHBondContact NH1-O 2.77Å; R373-I397 VanDerWaalsContact NH1-O 3.15Å; R373-I397 VanDerWaalsContact O-CD1 3.23Å; R373-I397 WeakPolarHBondContact O-CD1 3.34Å
374E94.6Very high93.1Very high129 Ų12954.9 Ų54.960%0.60331%0.306SS*.Hα-helixtrans-63.4-35.2-176.1-61.668.6-146.900111.3P372 V377 V378P372-E374 VanDerWaalsContact C-N 3.25Å; P372-E374 PolarHBondContact O-N 2.68Å; E374-V377 PolarHBondContact O-N 3.05Å; E374-V378 WeakPolarHBondContact O-CG2 3.46Å; E374-V378 PolarHBondContact O-N 2.83Å
375Q94.6Very high91.7Very high77 Ų7758.1 Ų58.136%0.3633%0.325SS..Hα-helixtrans-67-41.6178.2-171.160.157.200111.5T345 V371 P372 R373 V377 V378 D379T345-Q375 HydrophobicContact CG2-CG 4.15Å; V371-Q375 HydrophobicContact CG1-CB 4.23Å; V371-Q375 HydrophobicContact CG1-CG 4.49Å; P372-Q375 HydrophobicContact CB-CB 4.37Å; P372-Q375 WeakPolarHBondContact O-CB 3.5Å; P372-Q375 PolarHBondContact O-N 3.12Å; P372-Q375 VanDerWaalsContact O-N 3.08Å; R373-Q375 VanDerWaalsContact C-N 3.26Å; R373-Q375 PolarHBondContact O-N 3.11Å; Q375-V377 VanDerWaalsContact C-N 3.33Å; Q375-V377 PolarHBondContact O-N 2.79Å; Q375-V378 PolarHBondContact O-N 3.04Å; Q375-D379 PolarHBondContact NE2-OD1 3.32Å; Q375-D379 PolarHBondContact NE2-OD2 3.34Å; Q375-D379 WeakPolarHBondContact O-CB 3.47Å; Q375-D379 PolarHBondContact O-N 3.41Å
376I97Very high90Very high2 Ų262.6 Ų62.61%0.0136%0.36CS..Hα-helixtrans-59.8-44.5176.4-57.9-179.8000110.7F336 I366 V371 P372 R373 D379 L380 I397F336-I376 HydrophobicContact CB-CD1 4.28Å; F336-I376 HydrophobicContact CD1-CB 4.37Å; F336-I376 HydrophobicContact CD1-CD1 4.34Å; F336-I376 HydrophobicContact CD1-CG1 3.68Å; F336-I376 HydrophobicContact CD1-CG2 4.41Å; F336-I376 HydrophobicContact CD2-CG2 4.16Å; F336-I376 HydrophobicContact CE1-CB 4.13Å; F336-I376 HydrophobicContact CE1-CG1 3.93Å; F336-I376 HydrophobicContact CE1-CG2 4.1Å; F336-I376 HydrophobicContact CE2-CG2 3.84Å; F336-I376 HydrophobicContact CG-CD1 4.21Å; F336-I376 HydrophobicContact CG-CG1 4.01Å; F336-I376 HydrophobicContact CG-CG2 4.42Å; F336-I376 HydrophobicContact CZ-CB 4.31Å; F336-I376 HydrophobicContact CZ-CG1 4.47Å; F336-I376 HydrophobicContact CZ-CG2 3.8Å; I366-I376 HydrophobicContact CD1-CG2 3.9Å; I366-I376 HydrophobicContact CG2-CD1 4.16Å; I366-I376 HydrophobicContact CG2-CG2 4.42Å; V371-I376 HydrophobicContact CB-CD1 4.43Å; V371-I376 HydrophobicContact CB-CG1 4.38Å; V371-I376 HydrophobicContact CG1-CD1 4.1Å; V371-I376 HydrophobicContact CG1-CG1 3.54Å; P372-I376 PolarHBondContact O-N 3.44Å; R373-I376 PolarHBondContact O-N 2.83Å; I376-D379 PolarHBondContact O-N 3.41Å; I376-L380 HydrophobicContact CG2-CD1 4.1Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 2.96Å; I376-I397 HydrophobicContact CB-CD1 3.76Å; I376-I397 HydrophobicContact CB-CG1 4.38Å; I376-I397 HydrophobicContact CD1-CD1 4.48Å; I376-I397 HydrophobicContact CD1-CG1 4.47Å; I376-I397 HydrophobicContact CD1-CG2 4.08Å; I376-I397 HydrophobicContact CG2-CD1 3.89Å; I376-I397 HydrophobicContact CG2-CG1 4.09Å
377V95.8Very high88.7Confident51 Ų5170.7 Ų70.731%0.30940%0.397SS..Hα-helixtrans-60.4-48177.4175.70000110.5R373 E374 Q375 D379 L380 S381 V391 I397R373-V377 PolarHBondContact O-N 3.19Å; E374-V377 PolarHBondContact O-N 3.05Å; Q375-V377 VanDerWaalsContact C-N 3.33Å; Q375-V377 PolarHBondContact O-N 2.79Å; V377-D379 VanDerWaalsContact C-N 3.34Å; V377-D379 PolarHBondContact O-N 3.15Å; V377-L380 PolarHBondContact O-N 3.39Å; V377-S381 WeakPolarHBondContact O-CB 3.15Å; V377-S381 PolarHBondContact O-N 3.33Å; V377-S381 PolarHBondContact O-OG 3.38Å; V377-V391 HydrophobicContact CG1-CG1 4.2Å; V377-I397 HydrophobicContact CG2-CD1 3.62Å
378V94.3Very high88Confident96 Ų9670 Ų7058%0.58240%0.396SS*.Hα-helixtrans-59.9-43.4179.1168.70000111.6E374 Q375 L380 S381E374-V378 WeakPolarHBondContact O-CG2 3.46Å; E374-V378 PolarHBondContact O-N 2.83Å; Q375-V378 PolarHBondContact O-N 3.04Å; V378-L380 VanDerWaalsContact C-N 3.32Å; V378-L380 PolarHBondContact O-N 3.12Å; V378-S381 PolarHBondContact O-N 3Å
379D95.4Very high87.5Confident30 Ų3075.5 Ų75.516%0.1643%0.425CS..Hα-helixtrans-69.3-30.1-176-68.3-25000113.3F336 T345 I351 K355 Q375 I376 V377F336-D379 HydrophobicContact CE1-CB 4.06Å; F336-D379 HydrophobicContact CZ-CB 4.08Å; T345-D379 WeakPolarHBondContact CB-OD2 3.39Å; T345-D379 PolarHBondContact OG1-OD2 3.45Å; I351-D379 HydrophobicContact CD1-CB 3.8Å; I351-D379 HydrophobicContact CG1-CB 4.01Å; K355-D379 WeakPolarHBondContact CE-O 3.35Å; K355-D379 PolarHBondContact NZ-O 3.23Å; Q375-D379 PolarHBondContact NE2-OD1 3.32Å; Q375-D379 PolarHBondContact NE2-OD2 3.34Å; Q375-D379 WeakPolarHBondContact O-CB 3.47Å; Q375-D379 PolarHBondContact O-N 3.41Å; I376-D379 PolarHBondContact O-N 3.41Å; V377-D379 VanDerWaalsContact C-N 3.34Å; V377-D379 PolarHBondContact O-N 3.15Å
380L95.8Very high87.1Confident3 Ų375.6 Ų75.62%0.01642%0.422CS..Hα-helixtrans-88.6-19.8178.4-63.1-178.9000113.6F336 I351 K355 M358 I366 I376 V377 V378 V391 V395F336-L380 HydrophobicContact CE2-CD1 4.25Å; F336-L380 HydrophobicContact CE2-CD2 4.21Å; F336-L380 HydrophobicContact CE2-CG 4.28Å; F336-L380 HydrophobicContact CZ-CD1 4.47Å; F336-L380 HydrophobicContact CZ-CD2 4.17Å; F336-L380 HydrophobicContact CZ-CG 4.09Å; I351-L380 HydrophobicContact CG2-CD2 4.29Å; K355-L380 HydrophobicContact CG-CD2 4.23Å; M358-L380 HydrophobicContact SD-CB 4.41Å; M358-L380 HydrophobicContact SD-CD1 4.22Å; M358-L380 HydrophobicContact SD-CD2 4.39Å; I366-L380 HydrophobicContact CD1-CD1 3.59Å; I376-L380 HydrophobicContact CG2-CD1 4.1Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 2.96Å; V377-L380 PolarHBondContact O-N 3.39Å; V378-L380 VanDerWaalsContact C-N 3.32Å; V378-L380 PolarHBondContact O-N 3.12Å; L380-V391 HydrophobicContact CB-CG2 4.07Å; L380-V395 HydrophobicContact CD1-CG1 4.08Å; L380-V395 HydrophobicContact CD1-CG2 3.98Å
381S92.4Very high87Confident12 Ų1271.1 Ų71.18%0.08440%0.403CS..SBendtrans-74.6155.6179.5-59.80000112.6V377 V378V377-S381 WeakPolarHBondContact O-CB 3.15Å; V377-S381 PolarHBondContact O-N 3.33Å; V377-S381 PolarHBondContact O-OG 3.38Å; V378-S381 PolarHBondContact O-N 3Å
382H81.2Confident86.8Confident104 Ų10474.9 Ų74.948%0.48143%0.43SS..PPolyproline II helixtrans-64.8139169.4-71.981.2000111G384 V385 D388H382-G384 PolarHBondContact O-N 2.79Å; H382-V385 HydrophobicContact CB-CB 4.31Å; H382-V385 HydrophobicContact CB-CG2 3.75Å; H382-V385 WeakPolarHBondContact O-CB 3.37Å; H382-V385 PolarHBondContact O-N 3.49Å; H382-D388 IonicContact CE1-OD2 3.21Å; H382-D388 IonicContact CG-OD2 3.85Å; H382-D388 PolarHBondContact N-OD2 3.2Å; H382-D388 IonicContact ND1-OD2 2.71Å; H382-D388 PolarHBondContact ND1-OD2 3.15Å
383P75.9Confident86.8Confident132 Ų13278.5 Ų78.586%0.85743%0.434SS*.THydrogen-bonded Turntrans-55.6123.8179.7-25.433.5000112.2
384G65.3Low86.9Confident86 Ų8672.2 Ų72.289%0.88741%0.411SS*.THydrogen-bonded Turntrans87.82.5178.800000115.2H382H382-G384 PolarHBondContact O-N 2.79Å
385V69.4Low87Confident67 Ų6766.9 Ų66.941%0.40639%0.387SS..  trans-97.6124.2175.8-177.40000109.6H382 E387 D388H382-V385 HydrophobicContact CB-CB 4.31Å; H382-V385 HydrophobicContact CB-CG2 3.75Å; H382-V385 WeakPolarHBondContact O-CB 3.37Å; H382-V385 PolarHBondContact O-N 3.49Å; V385-E387 VanDerWaalsContact CG1-C 3.5Å; V385-E387 WeakPolarHBondContact CG1-O 3.31Å; V385-D388 HydrophobicContact CG1-CB 4Å
386S62.9Low87.2Confident123 Ų12366 Ų6686%0.8639%0.387SS*.SBendtrans-86.1-31.1179.2-42.30000112.6
387E72.7Confident87.3Confident170 Ų17066.8 Ų66.879%0.79439%0.391SS*.SBendtrans-128.195.6176.4-67.8-176.5174.400107.6V385V385-E387 VanDerWaalsContact CG1-C 3.5Å; V385-E387 WeakPolarHBondContact CG1-O 3.31Å
388D82.9Confident87.5Confident14 Ų1464.8 Ų64.88%0.07538%0.379CS..  trans-88.6109.8178.2-169.1-49.9000109.1H382 V385 Q390 V391 S392H382-D388 IonicContact CE1-OD2 3.21Å; H382-D388 IonicContact CG-OD2 3.85Å; H382-D388 PolarHBondContact N-OD2 3.2Å; H382-D388 IonicContact ND1-OD2 2.71Å; H382-D388 PolarHBondContact ND1-OD2 3.15Å; V385-D388 HydrophobicContact CG1-CB 4Å; D388-Q390 PolarHBondContact O-N 3.06Å; D388-Q390 WeakPolarHBondContact OD1-CA 3.35Å; D388-Q390 VanDerWaalsContact OD1-CB 3.27Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.3Å; D388-Q390 PolarHBondContact OD1-N 3.48Å; D388-V391 HydrophobicContact CB-CB 4.06Å; D388-V391 HydrophobicContact CB-CG2 3.88Å; D388-V391 PolarHBondContact O-N 3.3Å; D388-V391 VanDerWaalsContact O-N 3.13Å; D388-V391 PolarHBondContact OD1-N 2.76Å; D388-S392 PolarHBondContact O-N 3.3Å; D388-S392 PolarHBondContact O-OG 2.95Å
389D88.1Confident87.6Confident130 Ų13069.4 Ų69.470%0.69539%0.391SS*.Hα-helixtrans-56.6-31-179.7-75.5-12.7000112.6S392 R393D389-S392 WeakPolarHBondContact CA-OG 3.41Å; D389-S392 PolarHBondContact O-OG 3.02Å; D389-R393 VanDerWaalsContact O-CB 3.24Å; D389-R393 WeakPolarHBondContact O-CB 3.21Å; D389-R393 PolarHBondContact O-N 3.46Å
390Q89.4Confident87.7Confident43 Ų4371 Ų7120%0.20140%0.4CS..Hα-helixtrans-72.7-45.8177.6-168.9-176.42000110.2M358 D388 R393 L394M358-Q390 HydrophobicContact CE-CG 4.06Å; M358-Q390 PolarHBondContact O-NE2 2.91Å; D388-Q390 PolarHBondContact O-N 3.06Å; D388-Q390 WeakPolarHBondContact OD1-CA 3.35Å; D388-Q390 VanDerWaalsContact OD1-CB 3.27Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.3Å; D388-Q390 PolarHBondContact OD1-N 3.48Å; Q390-R393 PolarHBondContact O-N 3.37Å; Q390-L394 HydrophobicContact CG-CD1 3.77Å; Q390-L394 HydrophobicContact CG-CG 4.47Å; Q390-L394 VanDerWaalsContact O-CB 3.26Å; Q390-L394 WeakPolarHBondContact O-CB 3.42Å; Q390-L394 WeakPolarHBondContact O-CG 3.43Å; Q390-L394 PolarHBondContact O-N 3.19Å
391V92.1Very high87.9Confident8 Ų871.1 Ų71.15%0.04840%0.401CS..Hα-helixtrans-64.2-46.6178.6178.60000110.9M358 V377 L380 D388 R393 L394 V395M358-V391 HydrophobicContact CE-CG2 3.99Å; V377-V391 HydrophobicContact CG1-CG1 4.2Å; L380-V391 HydrophobicContact CB-CG2 4.07Å; D388-V391 HydrophobicContact CB-CB 4.06Å; D388-V391 HydrophobicContact CB-CG2 3.88Å; D388-V391 PolarHBondContact O-N 3.3Å; D388-V391 VanDerWaalsContact O-N 3.13Å; D388-V391 PolarHBondContact OD1-N 2.76Å; V391-R393 VanDerWaalsContact C-N 3.26Å; V391-R393 PolarHBondContact O-N 3.01Å; V391-L394 PolarHBondContact O-N 2.73Å; V391-V395 HydrophobicContact CG1-CB 3.98Å; V391-V395 HydrophobicContact CG1-CG2 4.12Å; V391-V395 WeakPolarHBondContact O-CA 3.42Å; V391-V395 VanDerWaalsContact O-CB 3.32Å; V391-V395 WeakPolarHBondContact O-CB 3.37Å; V391-V395 PolarHBondContact O-N 3.27Å
392S91.7Very high88.2Confident91 Ų9173.7 Ų73.764%0.63641%0.409SS*.Hα-helixtrans-62.5-33.1-179.160.10000113.1D388 D389D388-S392 PolarHBondContact O-N 3.3Å; D388-S392 PolarHBondContact O-OG 2.95Å; D389-S392 WeakPolarHBondContact CA-OG 3.41Å; D389-S392 PolarHBondContact O-OG 3.02Å
393R95Very high89Confident147 Ų14771.9 Ų71.956%0.55540%0.401SS*.Hα-helixtrans-81-42177.2-176.7173.858.390.71.9113.2D389 Q390 V391D389-R393 VanDerWaalsContact O-CB 3.24Å; D389-R393 WeakPolarHBondContact O-CB 3.21Å; D389-R393 PolarHBondContact O-N 3.46Å; Q390-R393 PolarHBondContact O-N 3.37Å; V391-R393 VanDerWaalsContact C-N 3.26Å; V391-R393 PolarHBondContact O-N 3.01Å
394L97.8Very high90.1Very high2 Ų265.6 Ų65.61%0.0136%0.36CS..Hα-helixtrans-100.7-18.7-167.7-63.7-176.4000114.5M358 H363 L364 Q390 V391M358-L394 HydrophobicContact CB-CD1 4.18Å; M358-L394 HydrophobicContact CG-CD1 4.46Å; M358-L394 WeakPolarHBondContact O-CD1 3.33Å; H363-L394 CarbonylContact C-O 3.48Å; H363-L394 WeakPolarHBondContact CA-O 3.13Å; L364-L394 PolarHBondContact N-O 3.25Å; Q390-L394 HydrophobicContact CG-CD1 3.77Å; Q390-L394 HydrophobicContact CG-CG 4.47Å; Q390-L394 VanDerWaalsContact O-CB 3.26Å; Q390-L394 WeakPolarHBondContact O-CB 3.42Å; Q390-L394 WeakPolarHBondContact O-CG 3.43Å; Q390-L394 PolarHBondContact O-N 3.19Å; V391-L394 PolarHBondContact O-N 2.73Å
395V98.4Very high91.7Very high16 Ų1661.6 Ų61.610%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-114.7120.2-170.9-1770000111.3M358 I366 L380 V391 I397M358-V395 HydrophobicContact CE-CG2 4.13Å; M358-V395 HydrophobicContact CG-CG2 4.43Å; M358-V395 HydrophobicContact SD-CG2 3.82Å; I366-V395 HydrophobicContact CD1-CG1 3.79Å; I366-V395 HydrophobicContact CG1-CG1 4.32Å; L380-V395 HydrophobicContact CD1-CG1 4.08Å; L380-V395 HydrophobicContact CD1-CG2 3.98Å; V391-V395 HydrophobicContact CG1-CB 3.98Å; V391-V395 HydrophobicContact CG1-CG2 4.12Å; V391-V395 WeakPolarHBondContact O-CA 3.42Å; V391-V395 VanDerWaalsContact O-CB 3.32Å; V391-V395 WeakPolarHBondContact O-CB 3.37Å; V391-V395 PolarHBondContact O-N 3.27Å; V395-I397 HydrophobicContact CG1-CG1 4.3Å
396T98.7Very high93.1Very high58 Ų5861.5 Ų61.536%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-110.3132166.1-62.20000109.2L364 H365 I366L364-T396 PolarHBondContact O-N 3.45Å; H365-T396 CarbonylContact C-O 3.53Å; H365-T396 VanDerWaalsContact CA-O 3.27Å; H365-T396 WeakPolarHBondContact CA-O 3.35Å; I366-T396 PolarHBondContact N-O 3.04Å
397I98.7Very high94.8Very high19 Ų1956.9 Ų56.910%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-102.6113.9175.2-60.3163.2000108.1R373 I376 V377 V395R373-I397 HydrophobicContact CB-CD1 4.3Å; R373-I397 HydrophobicContact CB-CG2 4.26Å; R373-I397 HydrophobicContact CG-CB 3.97Å; R373-I397 HydrophobicContact CG-CD1 3.41Å; R373-I397 VanDerWaalsContact CG-CD1 3.41Å; R373-I397 HydrophobicContact CG-CG1 4.28Å; R373-I397 HydrophobicContact CG-CG2 3.95Å; R373-I397 PolarHBondContact NH1-O 2.77Å; R373-I397 VanDerWaalsContact NH1-O 3.15Å; R373-I397 VanDerWaalsContact O-CD1 3.23Å; R373-I397 WeakPolarHBondContact O-CD1 3.34Å; I376-I397 HydrophobicContact CB-CD1 3.76Å; I376-I397 HydrophobicContact CB-CG1 4.38Å; I376-I397 HydrophobicContact CD1-CD1 4.48Å; I376-I397 HydrophobicContact CD1-CG1 4.47Å; I376-I397 HydrophobicContact CD1-CG2 4.08Å; I376-I397 HydrophobicContact CG2-CD1 3.89Å; I376-I397 HydrophobicContact CG2-CG1 4.09Å; V377-I397 HydrophobicContact CG2-CD1 3.62Å; V395-I397 HydrophobicContact CG1-CG1 4.3Å
398S98.6Very high96.1Very high9 Ų948.8 Ų48.86%0.06325%0.25CS..  trans-86.2148.7-170.7-68.40000112.1I366 E403 A404I366-S398 PolarHBondContact O-N 3.5Å; S398-E403 WeakPolarHBondContact CA-OE2 3.3Å; S398-E403 WeakPolarHBondContact CB-OE2 3.41Å; S398-E403 PolarHBondContact OG-OE1 2.94Å; S398-E403 PolarHBondContact OG-OE2 3.42Å; S398-A404 WeakPolarHBondContact OG-CA 3.37Å
399K97.6Very high96.8Very high193 Ų19350.3 Ų50.384%0.83926%0.257SS*.SBendtrans-85.8-23.9-179.4-67.6-177.8-178177.70113.3Y367 E403Y367-K399 WeakPolarHBondContact CE2-O 3.44Å; K399-E403 PolarHBondContact N-OE2 2.96Å
400D98.3Very high97.3Very high63 Ų6344.1 Ų44.134%0.33722%0.224SC..SBendtrans-145.3155.6178.973.580.2000109.7Y402 E403 A404D400-Y402 PolarHBondContact O-N 3.23Å; D400-Y402 WeakPolarHBondContact OD1-CA 3.28Å; D400-Y402 VanDerWaalsContact OD1-CB 3.27Å; D400-Y402 WeakPolarHBondContact OD1-CB 3.35Å; D400-Y402 PolarHBondContact OD1-N 3.03Å; D400-E403 PolarHBondContact O-N 2.85Å; D400-E403 PolarHBondContact OD1-N 3.46Å; D400-A404 PolarHBondContact O-N 3.16Å
401P98.7Very high97.8Very high7 Ų742.1 Ų42.15%0.04521%0.214CC..Hα-helixtrans-69.6-19.8-174.627.2-33.6000113L334 Y367 C405 M419 L423L334-P401 HydrophobicContact CD2-CB 4.04Å; Y367-P401 HydrophobicContact CD1-CB 3.74Å; Y367-P401 HydrophobicContact CD1-CG 4.25Å; Y367-P401 HydrophobicContact CE1-CB 4.05Å; Y367-P401 HydrophobicContact CE1-CG 4.05Å; Y367-P401 HydrophobicContact CG-CB 4.22Å; P401-C405 PolarHBondContact O-N 3.18Å; P401-C405 PolarHBondContact O-SG 3Å; P401-M419 HydrophobicContact CG-CE 4.4Å; P401-L423 HydrophobicContact CB-CD1 4.14Å; P401-L423 HydrophobicContact CB-CD2 4.26Å; P401-L423 HydrophobicContact CG-CD1 4.4Å; P401-L423 HydrophobicContact CG-CD2 3.62Å
402Y98.8Very high98.1Very high65 Ų6541.8 Ų41.826%0.25521%0.212SC..Hα-helixtrans-77-38.2-179.8-53.8-80.9000111.5D400 A404 C405 D406 D424 I428D400-Y402 PolarHBondContact O-N 3.23Å; D400-Y402 WeakPolarHBondContact OD1-CA 3.28Å; D400-Y402 VanDerWaalsContact OD1-CB 3.27Å; D400-Y402 WeakPolarHBondContact OD1-CB 3.35Å; D400-Y402 PolarHBondContact OD1-N 3.03Å; Y402-A404 VanDerWaalsContact C-N 3.32Å; Y402-C405 PolarHBondContact O-N 3.41Å; Y402-D406 PolarHBondContact O-N 3.3Å; Y402-D424 HydrophobicContact CE1-CB 4.08Å; Y402-I428 HydrophobicContact CD1-CD1 4.29Å; Y402-I428 HydrophobicContact CD1-CG1 3.89Å; Y402-I428 HydrophobicContact CE1-CD1 4.39Å; Y402-I428 HydrophobicContact CE1-CG1 4.3Å
403E98.7Very high98.5Very high66 Ų6637.4 Ų37.431%0.30818%0.182SC..Hα-helixtrans-63.4-39.2172.8180-102.8124.200111.8K330 H365 S398 K399 D400 C405 D406K330-E403 PolarHBondContact NZ-O 3.4Å; H365-E403 IonicContact CE1-OE1 3.39Å; H365-E403 IonicContact ND1-OE1 3.24Å; H365-E403 PolarHBondContact ND1-OE1 3.37Å; S398-E403 WeakPolarHBondContact CA-OE2 3.3Å; S398-E403 WeakPolarHBondContact CB-OE2 3.41Å; S398-E403 PolarHBondContact OG-OE1 2.94Å; S398-E403 PolarHBondContact OG-OE2 3.42Å; K399-E403 PolarHBondContact N-OE2 2.96Å; D400-E403 PolarHBondContact O-N 2.85Å; D400-E403 PolarHBondContact OD1-N 3.46Å; E403-C405 VanDerWaalsContact C-N 3.25Å; E403-C405 PolarHBondContact O-N 3.46Å; E403-D406 PolarHBondContact O-N 2.92Å
404A98.8Very high98.6Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-58.4-40.3174.100000111.8K330 A332 L334 H365 S398 D400 Y402K330-A404 WeakPolarHBondContact CE-O 3.41Å; K330-A404 PolarHBondContact NZ-O 2.97Å; A332-A404 HydrophobicContact CB-CB 4.16Å; A332-A404 WeakPolarHBondContact CB-O 3.08Å; L334-A404 HydrophobicContact CD2-CB 4.39Å; H365-A404 HydrophobicContact CB-CB 4.07Å; S398-A404 WeakPolarHBondContact OG-CA 3.37Å; D400-A404 PolarHBondContact O-N 3.16Å; Y402-A404 VanDerWaalsContact C-N 3.32Å
405C98.9Very high98.7Very high2 Ų230.3 Ų30.31%0.01416%0.155CC..Hα-helixtrans-85-15.3-177.9-61.60000115.1P401 Y402 E403 G407 A408 V411 I428 M432P401-C405 PolarHBondContact O-N 3.18Å; P401-C405 PolarHBondContact O-SG 3Å; Y402-C405 PolarHBondContact O-N 3.41Å; E403-C405 VanDerWaalsContact C-N 3.25Å; E403-C405 PolarHBondContact O-N 3.46Å; C405-G407 PolarHBondContact O-N 3.29Å; C405-A408 WeakPolarHBondContact O-CB 3.45Å; C405-A408 PolarHBondContact O-N 3.25Å; C405-V411 HydrophobicContact CB-CG2 4.42Å; C405-I428 HydrophobicContact CB-CG1 4.36Å; C405-I428 HydrophobicContact CB-CG2 3.72Å; C405-M432 WeakPolarHBondContact O-CG 3.45Å
406D98.8Very high98.7Very high66 Ų6631.7 Ų31.735%0.35316%0.16SC..THydrogen-bonded Turntrans-62.9117.6-176.4-161.7-13.3000111.1K330 Y402 E403 A408 K431K330-D406 WeakPolarHBondContact CD-O 3.25Å; K330-D406 WeakPolarHBondContact CE-O 3.38Å; K330-D406 PolarHBondContact NZ-O 3.4Å; Y402-D406 PolarHBondContact O-N 3.3Å; E403-D406 PolarHBondContact O-N 2.92Å; D406-A408 PolarHBondContact O-N 2.86Å; D406-K431 IonicContact OD1-NZ 3.98Å; D406-K431 IonicContact OD2-NZ 2.76Å; D406-K431 PolarHBondContact OD2-NZ 3.5Å
407G98.7Very high98.6Very high26 Ų2629.6 Ų29.627%0.26815%0.146SC..THydrogen-bonded Turntrans69.510.8-17500000115.3C405 K431C405-G407 PolarHBondContact O-N 3.29Å; G407-K431 WeakPolarHBondContact CA-O 3.44Å; G407-K431 PolarHBondContact N-O 2.94Å
408A98.9Very high98.6Very high0 Ų031.8 Ų31.80%016%0.157CC..  trans-73.1150.6177.500000112K330 A332 C405 D406 M432 L433K330-A408 HydrophobicContact CG-CB 4.13Å; A332-A408 HydrophobicContact CB-CB 4.33Å; C405-A408 WeakPolarHBondContact O-CB 3.45Å; C405-A408 PolarHBondContact O-N 3.25Å; D406-A408 PolarHBondContact O-N 2.86Å; A408-M432 HydrophobicContact CB-CE 4.32Å; A408-M432 HydrophobicContact CB-CG 4.43Å; A408-M432 WeakPolarHBondContact O-CA 3.38Å; A408-M432 WeakPolarHBondContact O-CB 3.38Å; A408-M432 WeakPolarHBondContact O-CE 3.47Å; A408-L433 PolarHBondContact O-N 2.94Å
409H98.9Very high98.6Very high46 Ų4634.3 Ų34.321%0.21317%0.169CC..SBendtrans-84.4-34.6171.1-61.781.8000111.5L322 K329 K330 L433 F437L322-H409 HydrophobicContact CD2-CB 4.44Å; K329-H409 HydrophobicContact CD-CB 4.46Å; K330-H409 PolarHBondContact N-ND1 3.22Å; K330-H409 PolarHBondContact O-N 3.32Å; K330-H409 PolarHBondContact O-ND1 3.36Å; H409-L433 WeakPolarHBondContact CE1-CD1 3.46Å; H409-L433 VanDerWaalsContact NE2-CD1 3.29Å; H409-L433 WeakPolarHBondContact NE2-CD1 3.31Å; H409-F437 PolarHBondContact O-N 3.33Å; H409-F437 VanDerWaalsContact O-N 3.12Å
410A98.9Very high98.6Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-141.4147.5-177.700000111.1L322 I331 A332 F437 F439L322-A410 HydrophobicContact CD1-CB 4.08Å; L322-A410 HydrophobicContact CD2-CB 4.43Å; I331-A410 HydrophobicContact CG1-CB 4.49Å; I331-A410 HydrophobicContact CG2-CB 4.29Å; A332-A410 PolarHBondContact N-O 3.45Å; A410-F437 CarbonylContact C-O 3.46Å; A410-F437 WeakPolarHBondContact CA-O 3.39Å; A410-F437 HydrophobicContact CB-CB 4.07Å; A410-F439 HydrophobicContact CB-CD2 4.09Å; A410-F439 HydrophobicContact CB-CE2 3.86Å
411V98.9Very high98.6Very high1 Ų126.7 Ų26.71%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-107.4127.8164-176.50000107.9A332 L334 C405 I413 I428 M432 F437 I438 F439A332-V411 HydrophobicContact CB-CG2 4.36Å; L334-V411 HydrophobicContact CD1-CG1 3.46Å; L334-V411 VanDerWaalsContact CD1-CG1 3.46Å; L334-V411 HydrophobicContact CG-CG1 3.8Å; C405-V411 HydrophobicContact CB-CG2 4.42Å; V411-I413 HydrophobicContact CG1-CG1 4.44Å; V411-I428 HydrophobicContact CG2-CG2 4.45Å; V411-M432 HydrophobicContact CG2-CE 3.8Å; V411-M432 HydrophobicContact CG2-SD 3.6Å; V411-F437 PolarHBondContact N-O 2.91Å; V411-I438 HydrophobicContact CB-CG1 4.33Å; V411-I438 CarbonylContact O-C 3.48Å; V411-I438 WeakPolarHBondContact O-CA 3.28Å; V411-F439 PolarHBondContact O-N 2.97Å
412V98.9Very high98.5Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-118.6115.6178.7-1740000108.4F314 I318 I331 A332 I333 L334 I353 F439F314-V412 HydrophobicContact CE1-CG1 3.76Å; F314-V412 HydrophobicContact CZ-CG1 4.24Å; I318-V412 HydrophobicContact CD1-CG1 3.74Å; I318-V412 HydrophobicContact CD1-CG2 3.89Å; I318-V412 HydrophobicContact CG1-CG2 4.48Å; I331-V412 HydrophobicContact CG2-CG2 3.65Å; A332-V412 PolarHBondContact O-N 3Å; I333-V412 HydrophobicContact CD1-CB 3.9Å; I333-V412 HydrophobicContact CD1-CG1 4.47Å; I333-V412 HydrophobicContact CD1-CG2 4.23Å; L334-V412 PolarHBondContact N-O 3.2Å; I353-V412 HydrophobicContact CG2-CG1 4.36Å; V412-F439 WeakPolarHBondContact CA-O 3.16Å; V412-F439 HydrophobicContact CG1-CB 4.42Å; V412-F439 HydrophobicContact CG2-CB 4.37Å; V412-F439 HydrophobicContact CG2-CD2 4.22Å
413I98.9Very high98.5Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-94.4112.7178.9-57.3177.6000108.9L334 V411 F420 F439 G441 V444 L445L334-I413 HydrophobicContact CB-CG1 4.32Å; L334-I413 HydrophobicContact CD1-CG1 4.47Å; V411-I413 HydrophobicContact CG1-CG1 4.44Å; I413-F420 HydrophobicContact CG2-CD2 4.04Å; I413-F439 PolarHBondContact N-O 3.19Å; I413-G441 WeakPolarHBondContact O-CA 3.23Å; I413-G441 PolarHBondContact O-N 3.08Å; I413-V444 HydrophobicContact CD1-CG1 3.86Å; I413-V444 HydrophobicContact CG2-CG1 3.93Å; I413-L445 HydrophobicContact CD1-CD1 3.59Å; I413-L445 HydrophobicContact CD1-CD2 4.29Å; I413-L445 HydrophobicContact CD1-CG 3.9Å
414C98.7Very high98.5Very high0 Ų032.3 Ų32.30%016%0.164CC..  trans-107-14.5-178-65.30000113.8L334 S350 R442L334-C414 PolarHBondContact O-N 3.13Å; S350-C414 WeakPolarHBondContact OG-CB 3.47Å; C414-R442 VanDerWaalsContact O-CZ 3.26Å; C414-R442 PolarHBondContact O-NE 2.84Å; C414-R442 PolarHBondContact O-NH2 2.99Å
415T98.8Very high98.5Very high0 Ų032.8 Ų32.80%017%0.166CC..SBendtrans-135.6137.6178.7-43.50000110.9G335 F336 A337 K339 W417 F420G335-T415 WeakPolarHBondContact CA-OG1 3.22Å; G335-T415 PolarHBondContact O-OG1 3.15Å; F336-T415 PolarHBondContact N-OG1 3.02Å; A337-T415 HydrophobicContact CB-CG2 4.45Å; A337-T415 VanDerWaalsContact O-CG2 3.25Å; A337-T415 WeakPolarHBondContact O-CG2 3.34Å; A337-T415 PolarHBondContact O-OG1 3.48Å; K339-T415 WeakPolarHBondContact O-CG2 3.37Å; T415-W417 PolarHBondContact O-N 2.99Å; T415-F420 VanDerWaalsContact O-CD2 3.31Å; T415-F420 WeakPolarHBondContact O-CD2 3.22Å; T415-F420 VanDerWaalsContact O-CE2 3.31Å; T415-F420 WeakPolarHBondContact O-CE2 3.44Å
416E97.8Very high98.5Very high44 Ų4437.6 Ų37.621%0.20619%0.188CC..  trans-80.841.4-172.169.4-70.916800115K339 K340 D418 R442 V444K339-E416 WeakPolarHBondContact CA-OE1 2.99Å; K339-E416 WeakPolarHBondContact CB-OE1 3.27Å; K340-E416 HydrophobicContact CB-CG 4.28Å; K340-E416 HydrophobicContact CD-CG 4.23Å; K340-E416 WeakPolarHBondContact CD-O 3.46Å; K340-E416 HydrophobicContact CG-CG 4.15Å; K340-E416 PolarHBondContact N-OE1 2.76Å; E416-D418 PolarHBondContact O-N 2.83Å; E416-R442 HydrophobicContact CB-CB 4.01Å; E416-R442 HydrophobicContact CB-CG 4.2Å; E416-R442 IonicContact OE1-NH1 2.65Å; E416-R442 VanDerWaalsContact OE2-CD 3.32Å; E416-R442 WeakPolarHBondContact OE2-CD 3.45Å; E416-R442 IonicContact OE2-CZ 3.72Å; E416-R442 IonicContact OE2-NE 3.73Å; E416-R442 PolarHBondContact OE2-NE 2.68Å; E416-R442 IonicContact OE2-NH1 3.99Å; E416-R442 PolarHBondContact OE2-NH1 3.27Å; E416-R442 IonicContact OE2-NH2 2.77Å; E416-V444 HydrophobicContact CB-CG2 4.49Å
417W98.3Very high98.5Very high14 Ų1440.2 Ų40.25%0.05319%0.193CC..  trans-59.6129.7174.9-70.6108.5000110.9A337 K340 D341 T342 D368 P369 K370 T415 M419 F420A337-W417 HydrophobicContact CB-CZ2 4.36Å; K340-W417 HydrophobicContact CB-CD2 4.08Å; K340-W417 HydrophobicContact CB-CE3 3.96Å; K340-W417 HydrophobicContact CB-CZ3 4.42Å; D341-W417 VanDerWaalsContact CA-CH2 3.44Å; D341-W417 VanDerWaalsContact CA-CZ3 3.47Å; D341-W417 WeakPolarHBondContact OD1-CZ3 3.36Å; T342-W417 WeakPolarHBondContact O-CZ2 3.2Å; D368-W417 PolarHBondContact OD2-NE1 2.75Å; P369-W417 HydrophobicContact CG-CD2 3.51Å; P369-W417 VanDerWaalsContact CG-CE2 3.48Å; P369-W417 HydrophobicContact CG-CE3 3.9Å; P369-W417 HydrophobicContact CG-CG 3.87Å; P369-W417 HydrophobicContact CG-CH2 4.21Å; P369-W417 HydrophobicContact CG-CZ2 3.86Å; P369-W417 HydrophobicContact CG-CZ3 4.22Å; K370-W417 HydrophobicContact CB-CH2 4.02Å; K370-W417 HydrophobicContact CB-CZ2 4.07Å; K370-W417 HydrophobicContact CG-CH2 3.52Å; K370-W417 HydrophobicContact CG-CZ2 4.03Å; K370-W417 HydrophobicContact CG-CZ3 4.28Å; T415-W417 PolarHBondContact O-N 2.99Å; W417-M419 HydrophobicContact CB-CG 4.12Å; W417-M419 PolarHBondContact O-N 2.9Å; W417-F420 HydrophobicContact CB-CD2 3.82Å; W417-F420 HydrophobicContact CB-CE1 4.49Å; W417-F420 HydrophobicContact CB-CE2 3.71Å; W417-F420 HydrophobicContact CB-CG 4.27Å; W417-F420 HydrophobicContact CB-CZ 4.06Å; W417-F420 AromaticContact CD1-CE2 3.67Å; W417-F420 AromaticContact CD1-CZ 3.85Å; W417-F420 HydrophobicContact CG-CE2 4.09Å; W417-F420 HydrophobicContact CG-CZ 4.29Å; W417-F420 WeakPolarHBondContact O-CB 3.48Å; W417-F420 PolarHBondContact O-N 3.49Å
418D97.6Very high98.5Very high65 Ų6539.2 Ų39.235%0.34818%0.182SC..G310 helixtrans-61.2-32.7-174.3-67-50.7000112K340 E416 F420 K421K340-D418 VanDerWaalsContact NZ-CG 3.27Å; K340-D418 IonicContact NZ-OD1 2.84Å; K340-D418 PolarHBondContact NZ-OD1 2.86Å; K340-D418 VanDerWaalsContact NZ-OD1 3.12Å; K340-D418 IonicContact NZ-OD2 2.72Å; K340-D418 PolarHBondContact NZ-OD2 2.88Å; E416-D418 PolarHBondContact O-N 2.83Å; D418-F420 PolarHBondContact O-N 2.76Å; D418-F420 VanDerWaalsContact O-N 3.08Å; D418-K421 WeakPolarHBondContact O-CB 3.36Å; D418-K421 PolarHBondContact O-N 3.26Å; D418-K421 IonicContact OD1-NZ 3.57Å
419M98.1Very high98.5Very high62 Ų6240.7 Ų40.731%0.30519%0.188SC..G310 helixtrans-57.5-24.3177.171178.2-67.100114.1Y367 P369 P401 W417 K421 E422Y367-M419 HydrophobicContact CE1-CE 3.84Å; Y367-M419 HydrophobicContact CE1-SD 4.08Å; Y367-M419 WeakPolarHBondContact OH-CE 3.17Å; P369-M419 HydrophobicContact CB-SD 3.9Å; P369-M419 HydrophobicContact CG-SD 4Å; P401-M419 HydrophobicContact CG-CE 4.4Å; W417-M419 HydrophobicContact CB-CG 4.12Å; W417-M419 PolarHBondContact O-N 2.9Å; M419-K421 PolarHBondContact O-N 3.39Å; M419-E422 PolarHBondContact O-N 3.24Å; M419-E422 VanDerWaalsContact O-N 3.15Å
420F98.6Very high98.5Very high0 Ų045.2 Ų45.20%021%0.207CC..G310 helixtrans-70.7-18.9-179.9-62-27.4000112.9L334 Y367 I413 T415 W417 D418 E422 L423 Y425L334-F420 HydrophobicContact CB-CD1 4.48Å; L334-F420 HydrophobicContact CB-CD2 4.31Å; L334-F420 HydrophobicContact CB-CE1 4.12Å; L334-F420 HydrophobicContact CB-CE2 3.91Å; L334-F420 HydrophobicContact CB-CZ 3.82Å; L334-F420 HydrophobicContact CD1-CD1 4.48Å; Y367-F420 AromaticContact CD1-CE1 3.92Å; Y367-F420 HydrophobicContact CD1-CE1 3.92Å; Y367-F420 HydrophobicContact CD1-CZ 4.32Å; Y367-F420 AromaticContact CE1-CE1 3.96Å; Y367-F420 HydrophobicContact CE1-CE1 3.96Å; I413-F420 HydrophobicContact CG2-CD2 4.04Å; T415-F420 VanDerWaalsContact O-CD2 3.31Å; T415-F420 WeakPolarHBondContact O-CD2 3.22Å; T415-F420 VanDerWaalsContact O-CE2 3.31Å; T415-F420 WeakPolarHBondContact O-CE2 3.44Å; W417-F420 HydrophobicContact CB-CD2 3.82Å; W417-F420 HydrophobicContact CB-CE1 4.49Å; W417-F420 HydrophobicContact CB-CE2 3.71Å; W417-F420 HydrophobicContact CB-CG 4.27Å; W417-F420 HydrophobicContact CB-CZ 4.06Å; W417-F420 AromaticContact CD1-CE2 3.67Å; W417-F420 AromaticContact CD1-CZ 3.85Å; W417-F420 HydrophobicContact CG-CE2 4.09Å; W417-F420 HydrophobicContact CG-CZ 4.29Å; W417-F420 WeakPolarHBondContact O-CB 3.48Å; W417-F420 PolarHBondContact O-N 3.49Å; D418-F420 PolarHBondContact O-N 2.76Å; D418-F420 VanDerWaalsContact O-N 3.08Å; F420-E422 VanDerWaalsContact C-N 3.32Å; F420-L423 HydrophobicContact CD1-CD1 4.17Å; F420-Y425 WeakPolarHBondContact O-CE2 3.32Å; F420-Y425 PolarHBondContact O-OH 2.89Å
421K97.4Very high98.5Very high97 Ų9750.5 Ų50.542%0.42223%0.23SC..G310 helixtrans-75.2-24.7172.5-59.2179.7-176.5163.50112.6D418 M419 V444D418-K421 WeakPolarHBondContact O-CB 3.36Å; D418-K421 PolarHBondContact O-N 3.26Å; D418-K421 IonicContact OD1-NZ 3.57Å; M419-K421 PolarHBondContact O-N 3.39Å; K421-V444 HydrophobicContact CD-CG2 4.15Å; K421-V444 WeakPolarHBondContact CE-O 3.44Å; K421-V444 HydrophobicContact CG-CG2 3.74Å; K421-V444 WeakPolarHBondContact CG-O 3.2Å
422E97.8Very high98.4Very high164 Ų16450.7 Ų50.777%0.76623%0.231SC*.SBendtrans-101.75.6-169.6-59.3178.8-179.600112.5M419 F420M419-E422 PolarHBondContact O-N 3.24Å; M419-E422 VanDerWaalsContact O-N 3.15Å; F420-E422 VanDerWaalsContact C-N 3.32Å
423L98.6Very high98.4Very high16 Ų1654.7 Ų54.78%0.08425%0.252CS..SBendtrans-67.3148.9178.2-62.2178.6000111.4L334 P401 F420 Y425 I428L334-L423 HydrophobicContact CD1-CD1 4.09Å; P401-L423 HydrophobicContact CB-CD1 4.14Å; P401-L423 HydrophobicContact CB-CD2 4.26Å; P401-L423 HydrophobicContact CG-CD1 4.4Å; P401-L423 HydrophobicContact CG-CD2 3.62Å; F420-L423 HydrophobicContact CD1-CD1 4.17Å; L423-Y425 VanDerWaalsContact C-N 3.34Å; L423-Y425 HydrophobicContact CB-CD2 4.29Å; L423-Y425 HydrophobicContact CB-CE2 3.97Å; L423-Y425 VanDerWaalsContact O-CD2 3.23Å; L423-Y425 WeakPolarHBondContact O-CD2 3.35Å; L423-Y425 PolarHBondContact O-N 3.07Å; L423-I428 HydrophobicContact CB-CD1 4.03Å; L423-I428 HydrophobicContact CD1-CD1 4.16Å
424D98.6Very high98.4Very high75 Ų7560 Ų6040%0.40128%0.275SS..  trans-76.886.6171.2-179.6-10000109.3Y402 E426 R427 I428Y402-D424 HydrophobicContact CE1-CB 4.08Å; D424-E426 VanDerWaalsContact C-N 3.27Å; D424-E426 PolarHBondContact O-N 3.42Å; D424-E426 PolarHBondContact OD1-N 3.44Å; D424-R427 HydrophobicContact CB-CB 4.07Å; D424-R427 PolarHBondContact O-N 2.96Å; D424-R427 WeakPolarHBondContact OD1-CB 3.48Å; D424-R427 PolarHBondContact OD1-N 2.91Å; D424-R427 VanDerWaalsContact OD2-CB 3.28Å; D424-R427 WeakPolarHBondContact OD2-CB 3.43Å; D424-I428 WeakPolarHBondContact O-CG1 3.45Å; D424-I428 PolarHBondContact O-N 3.01Å; D424-I428 VanDerWaalsContact O-N 3.08Å
425Y98.8Very high98.4Very high11 Ų1162.6 Ų62.64%0.04329%0.292CS..Hα-helixtrans-68.7-23.9-178.9-79-79.6000113.3F420 L423 I428 H429 I438 L445 L452 F457F420-Y425 WeakPolarHBondContact O-CE2 3.32Å; F420-Y425 PolarHBondContact O-OH 2.89Å; L423-Y425 VanDerWaalsContact C-N 3.34Å; L423-Y425 HydrophobicContact CB-CD2 4.29Å; L423-Y425 HydrophobicContact CB-CE2 3.97Å; L423-Y425 VanDerWaalsContact O-CD2 3.23Å; L423-Y425 WeakPolarHBondContact O-CD2 3.35Å; L423-Y425 PolarHBondContact O-N 3.07Å; Y425-I428 HydrophobicContact CD1-CD1 4.23Å; Y425-I428 HydrophobicContact CE1-CD1 4.45Å; Y425-I428 PolarHBondContact O-N 2.91Å; Y425-H429 VanDerWaalsContact O-CB 3.29Å; Y425-H429 WeakPolarHBondContact O-CB 3.46Å; Y425-H429 PolarHBondContact O-N 3.3Å; Y425-I438 HydrophobicContact CD1-CD1 3.88Å; Y425-I438 HydrophobicContact CE1-CD1 3.86Å; Y425-L445 HydrophobicContact CE1-CD1 4.33Å; Y425-L445 HydrophobicContact CE2-CD2 4.15Å; Y425-L445 WeakPolarHBondContact OH-CD2 3.31Å; Y425-L452 VanDerWaalsContact CB-CD2 3.44Å; Y425-L452 HydrophobicContact CD1-CD2 3.65Å; Y425-L452 HydrophobicContact CD2-CD2 3.89Å; Y425-L452 HydrophobicContact CE1-CD2 4.38Å; Y425-L452 HydrophobicContact CG-CD2 3.38Å; Y425-F457 HydrophobicContact CD1-CE2 4.24Å; Y425-F457 HydrophobicContact CD1-CZ 4.43Å; Y425-F457 WeakPolarHBondContact O-CE2 3.42Å
426E98.6Very high98.3Very high103 Ų10362.6 Ų62.648%0.48129%0.292SS..Hα-helixtrans-68.5-44.6174.3-163.7-167153.500110.5D424 H429 K430 I455D424-E426 VanDerWaalsContact C-N 3.27Å; D424-E426 PolarHBondContact O-N 3.42Å; D424-E426 PolarHBondContact OD1-N 3.44Å; E426-H429 PolarHBondContact O-N 3.5Å; E426-K430 WeakPolarHBondContact O-CG 3.47Å; E426-K430 PolarHBondContact O-N 3.46Å; E426-K430 VanDerWaalsContact OE1-CE 3.24Å; E426-K430 WeakPolarHBondContact OE1-CE 3.35Å; E426-K430 IonicContact OE1-NZ 2.69Å; E426-K430 PolarHBondContact OE1-NZ 3.2Å; E426-I455 HydrophobicContact CB-CD1 4.46Å
427R98.6Very high98.4Very high120 Ų12060.8 Ų60.845%0.45328%0.284SS..Hα-helixtrans-60.1-44.6172.1173.8-178.1171.5-175.1-4.3111.8D424 K430D424-R427 HydrophobicContact CB-CB 4.07Å; D424-R427 PolarHBondContact O-N 2.96Å; D424-R427 WeakPolarHBondContact OD1-CB 3.48Å; D424-R427 PolarHBondContact OD1-N 2.91Å; D424-R427 VanDerWaalsContact OD2-CB 3.28Å; D424-R427 WeakPolarHBondContact OD2-CB 3.43Å; R427-K430 PolarHBondContact O-N 3.19Å
428I98.8Very high98.4Very high6 Ų660.1 Ų60.13%0.03128%0.281CS..Hα-helixtrans-60.1-50.3177.4-70.2168.4000109.9Y402 C405 V411 L423 D424 Y425 K430 K431 M432 F457Y402-I428 HydrophobicContact CD1-CD1 4.29Å; Y402-I428 HydrophobicContact CD1-CG1 3.89Å; Y402-I428 HydrophobicContact CE1-CD1 4.39Å; Y402-I428 HydrophobicContact CE1-CG1 4.3Å; C405-I428 HydrophobicContact CB-CG1 4.36Å; C405-I428 HydrophobicContact CB-CG2 3.72Å; V411-I428 HydrophobicContact CG2-CG2 4.45Å; L423-I428 HydrophobicContact CB-CD1 4.03Å; L423-I428 HydrophobicContact CD1-CD1 4.16Å; D424-I428 WeakPolarHBondContact O-CG1 3.45Å; D424-I428 PolarHBondContact O-N 3.01Å; D424-I428 VanDerWaalsContact O-N 3.08Å; Y425-I428 HydrophobicContact CD1-CD1 4.23Å; Y425-I428 HydrophobicContact CE1-CD1 4.45Å; Y425-I428 PolarHBondContact O-N 2.91Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.46Å; I428-K431 PolarHBondContact O-N 3.42Å; I428-K431 VanDerWaalsContact O-N 3.17Å; I428-M432 HydrophobicContact CG2-CG 4.13Å; I428-M432 HydrophobicContact CG2-SD 3.59Å; I428-M432 VanDerWaalsContact CG2-SD 3.59Å; I428-M432 WeakPolarHBondContact O-CG 3.35Å; I428-M432 PolarHBondContact O-N 3.15Å; I428-M432 VanDerWaalsContact O-N 3.12Å; I428-F457 HydrophobicContact CG2-CZ 4.07Å
429H98.8Very high98.5Very high30 Ų3057 Ų5714%0.13927%0.265CS..Hα-helixtrans-57.7-43.5-178.9-176.4-109.3000112.6Y425 E426 K431 M432 K434 I455 F457Y425-H429 VanDerWaalsContact O-CB 3.29Å; Y425-H429 WeakPolarHBondContact O-CB 3.46Å; Y425-H429 PolarHBondContact O-N 3.3Å; E426-H429 PolarHBondContact O-N 3.5Å; H429-K431 PolarHBondContact O-N 3.48Å; H429-K431 VanDerWaalsContact O-N 3.16Å; H429-M432 PolarHBondContact O-N 3.35Å; H429-K434 WeakPolarHBondContact CE1-CE 3.11Å; H429-K434 WeakPolarHBondContact NE2-CE 3.46Å; H429-K434 WeakPolarHBondContact O-CE 3.28Å; H429-K434 PolarHBondContact O-NZ 2.8Å; H429-I455 HydrophobicContact CB-CG2 3.43Å; H429-I455 VanDerWaalsContact CB-CG2 3.43Å; H429-I455 PolarHBondContact CE1-O 2.86Å; H429-I455 VanDerWaalsContact CG-CG2 3.5Å; H429-I455 PolarHBondContact ND1-O 3.09Å; H429-F457 HydrophobicContact CB-CD2 4.4Å; H429-F457 HydrophobicContact CB-CE1 4.29Å; H429-F457 HydrophobicContact CB-CE2 3.57Å; H429-F457 HydrophobicContact CB-CZ 3.51Å; H429-F457 AromaticContact CD2-CE1 3.96Å; H429-F457 AromaticContact CD2-CZ 3.97Å
430K98.6Very high98.5Very high142 Ų14254.1 Ų54.162%0.61725%0.25SS*.Hα-helixtrans-55.5-34.7-179.2-78.7170.2-176.5163.50112.7E426 R427 I428E426-K430 WeakPolarHBondContact O-CG 3.47Å; E426-K430 PolarHBondContact O-N 3.46Å; E426-K430 VanDerWaalsContact OE1-CE 3.24Å; E426-K430 WeakPolarHBondContact OE1-CE 3.35Å; E426-K430 IonicContact OE1-NZ 2.69Å; E426-K430 PolarHBondContact OE1-NZ 3.2Å; R427-K430 PolarHBondContact O-N 3.19Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.46Å
431K98.6Very high98.5Very high110 Ų11054.1 Ų54.148%0.47825%0.25SS..Hα-helixtrans-98.5-15.1-175.5-73.8-176.1151.5-145.30115D406 G407 I428 H429D406-K431 IonicContact OD1-NZ 3.98Å; D406-K431 IonicContact OD2-NZ 2.76Å; D406-K431 PolarHBondContact OD2-NZ 3.5Å; G407-K431 WeakPolarHBondContact CA-O 3.44Å; G407-K431 PolarHBondContact N-O 2.94Å; I428-K431 PolarHBondContact O-N 3.42Å; I428-K431 VanDerWaalsContact O-N 3.17Å; H429-K431 PolarHBondContact O-N 3.48Å; H429-K431 VanDerWaalsContact O-N 3.16Å
432M98.9Very high98.5Very high6 Ų650.7 Ų50.73%0.0324%0.235CC..SBendtrans-72.3154.9175.2-78.1-176.670.600112.5C405 A408 V411 I428 H429 K434 A436 F457C405-M432 WeakPolarHBondContact O-CG 3.45Å; A408-M432 HydrophobicContact CB-CE 4.32Å; A408-M432 HydrophobicContact CB-CG 4.43Å; A408-M432 WeakPolarHBondContact O-CA 3.38Å; A408-M432 WeakPolarHBondContact O-CB 3.38Å; A408-M432 WeakPolarHBondContact O-CE 3.47Å; V411-M432 HydrophobicContact CG2-CE 3.8Å; V411-M432 HydrophobicContact CG2-SD 3.6Å; I428-M432 HydrophobicContact CG2-CG 4.13Å; I428-M432 HydrophobicContact CG2-SD 3.59Å; I428-M432 VanDerWaalsContact CG2-SD 3.59Å; I428-M432 WeakPolarHBondContact O-CG 3.35Å; I428-M432 PolarHBondContact O-N 3.15Å; I428-M432 VanDerWaalsContact O-N 3.12Å; H429-M432 PolarHBondContact O-N 3.35Å; M432-K434 PolarHBondContact O-NZ 2.8Å; M432-A436 HydrophobicContact CB-CB 4.03Å; M432-A436 HydrophobicContact CE-CB 4.05Å; M432-A436 HydrophobicContact SD-CB 4.4Å; M432-F457 HydrophobicContact CE-CE1 4.44Å; M432-F457 HydrophobicContact SD-CE1 3.66Å; M432-F457 HydrophobicContact SD-CZ 4.27Å
433L98.4Very high98.5Very high83 Ų8343.3 Ų43.344%0.43520%0.2SC..  trans-70.6156.2169.7-68.5172.3000110.7A408 H409 P435 A436A408-L433 PolarHBondContact O-N 2.94Å; H409-L433 WeakPolarHBondContact CE1-CD1 3.46Å; H409-L433 VanDerWaalsContact NE2-CD1 3.29Å; H409-L433 WeakPolarHBondContact NE2-CD1 3.31Å; L433-P435 CarbonylContact O-C 3.43Å; L433-A436 WeakPolarHBondContact O-CA 3.47Å; L433-A436 WeakPolarHBondContact O-CB 3.43Å; L433-A436 PolarHBondContact O-N 2.87Å
434K98.3Very high98.4Very high111 Ų11143.1 Ų43.148%0.48320%0.199SC..SBendtrans-112.4138.5-176.7-56.3-57.5-179.5-620110.9H429 M432 A436H429-K434 WeakPolarHBondContact CE1-CE 3.11Å; H429-K434 WeakPolarHBondContact NE2-CE 3.46Å; H429-K434 WeakPolarHBondContact O-CE 3.28Å; H429-K434 PolarHBondContact O-NZ 2.8Å; M432-K434 PolarHBondContact O-NZ 2.8Å; K434-A436 HydrophobicContact CD-CB 4.08Å
435P97.9Very high98.4Very high55 Ų5539.6 Ų39.636%0.35718%0.181SC..SBendcis-65.6138.8-4.827.3-34.5000113F323 L433 F437 Q458F323-P435 HydrophobicContact CE2-CG 4.36Å; F323-P435 HydrophobicContact CZ-CG 4.2Å; L433-P435 CarbonylContact O-C 3.43Å; P435-F437 HydrophobicContact CB-CE2 4.08Å; P435-F437 HydrophobicContact CG-CE2 3.81Å; P435-F437 HydrophobicContact CG-CZ 4.45Å; P435-Q458 VanDerWaalsContact CB-NE2 3.28Å
436A98.4Very high98.1Very high1 Ų141.5 Ų41.51%0.00819%0.191CC..PPolyproline II helixtrans-94.5121.8-179.300000110.2M432 L433 K434 F457 Q458M432-A436 HydrophobicContact CB-CB 4.03Å; M432-A436 HydrophobicContact CE-CB 4.05Å; M432-A436 HydrophobicContact SD-CB 4.4Å; L433-A436 WeakPolarHBondContact O-CA 3.47Å; L433-A436 WeakPolarHBondContact O-CB 3.43Å; L433-A436 PolarHBondContact O-N 2.87Å; K434-A436 HydrophobicContact CD-CB 4.08Å; A436-F457 HydrophobicContact CB-CD1 3.77Å; A436-F457 HydrophobicContact CB-CE1 3.87Å; A436-Q458 PolarHBondContact O-N 3.13Å
437F98.7Very high97.8Very high5 Ų540.4 Ų40.42%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-102.7146.2-179.3-72.2-93.1000112.9S321 L322 H409 A410 V411 P435 F439 Q458S321-F437 VanDerWaalsContact O-CZ 3.27Å; S321-F437 WeakPolarHBondContact O-CZ 3.33Å; L322-F437 HydrophobicContact CD2-CD2 3.63Å; L322-F437 HydrophobicContact CD2-CE2 3.96Å; L322-F437 HydrophobicContact CD2-CG 4.31Å; H409-F437 PolarHBondContact O-N 3.33Å; H409-F437 VanDerWaalsContact O-N 3.12Å; A410-F437 CarbonylContact C-O 3.46Å; A410-F437 WeakPolarHBondContact CA-O 3.39Å; A410-F437 HydrophobicContact CB-CB 4.07Å; V411-F437 PolarHBondContact N-O 2.91Å; P435-F437 HydrophobicContact CB-CE2 4.08Å; P435-F437 HydrophobicContact CG-CE2 3.81Å; P435-F437 HydrophobicContact CG-CZ 4.45Å; F437-F439 HydrophobicContact CB-CD2 4.19Å; F437-F439 HydrophobicContact CB-CE2 3.51Å; F437-F439 HydrophobicContact CB-CZ 3.99Å; F437-F439 HydrophobicContact CD1-CE2 4.28Å; F437-F439 AromaticContact CD1-CZ 3.87Å; F437-F439 HydrophobicContact CD1-CZ 3.87Å; F437-F439 HydrophobicContact CG-CE2 4.09Å; F437-F439 HydrophobicContact CG-CZ 4.11Å; F437-Q458 WeakPolarHBondContact CA-O 3.32Å; F437-Q458 HydrophobicContact CD1-CB 3.52Å; F437-Q458 HydrophobicContact CE1-CB 3.6Å; F437-Q458 HydrophobicContact CE1-CG 4.2Å; F437-Q458 HydrophobicContact CG-CB 4.17Å; F437-Q458 HydrophobicContact CZ-CB 4.3Å; F437-Q458 HydrophobicContact CZ-CG 4.48Å
438I98.8Very high97.7Very high0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-123.8123.4163.9-61.7175000108V411 Y425 L445 L452 F457 Q458 I459 E460V411-I438 HydrophobicContact CB-CG1 4.33Å; V411-I438 CarbonylContact O-C 3.48Å; V411-I438 WeakPolarHBondContact O-CA 3.28Å; Y425-I438 HydrophobicContact CD1-CD1 3.88Å; Y425-I438 HydrophobicContact CE1-CD1 3.86Å; I438-L445 HydrophobicContact CG2-CD1 3.85Å; I438-L452 HydrophobicContact CD1-CD1 4.32Å; I438-L452 HydrophobicContact CD1-CD2 4.21Å; I438-F457 HydrophobicContact CD1-CB 4.16Å; I438-F457 HydrophobicContact CD1-CD1 3.61Å; I438-F457 HydrophobicContact CD1-CD2 3.8Å; I438-F457 HydrophobicContact CD1-CE1 3.81Å; I438-F457 HydrophobicContact CD1-CE2 3.98Å; I438-F457 HydrophobicContact CD1-CG 3.59Å; I438-F457 HydrophobicContact CD1-CZ 3.98Å; I438-F457 HydrophobicContact CG1-CB 4.45Å; I438-F457 HydrophobicContact CG1-CD1 3.59Å; I438-F457 HydrophobicContact CG1-CE1 3.88Å; I438-F457 HydrophobicContact CG1-CG 4.02Å; I438-Q458 PolarHBondContact N-O 3.49Å; I438-I459 HydrophobicContact CB-CD1 4.29Å; I438-I459 HydrophobicContact CB-CG1 4.27Å; I438-I459 HydrophobicContact CG2-CD1 4.12Å; I438-I459 HydrophobicContact CG2-CG1 4.37Å; I438-I459 WeakPolarHBondContact O-CA 3.32Å; I438-E460 PolarHBondContact O-N 2.82Å
439F98.8Very high97.5Very high1 Ų137 Ų370%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-108.3102.3172.3-61-86.5000109.3F314 I318 A410 V411 V412 I413 F437 G441 E460F314-F439 HydrophobicContact CE2-CB 4.35Å; F314-F439 HydrophobicContact CZ-CB 3.84Å; I318-F439 HydrophobicContact CB-CD2 4.47Å; I318-F439 HydrophobicContact CB-CE1 4.49Å; I318-F439 HydrophobicContact CB-CE2 4.37Å; I318-F439 HydrophobicContact CB-CZ 4.39Å; I318-F439 HydrophobicContact CD1-CB 4.48Å; I318-F439 HydrophobicContact CG1-CB 4.07Å; I318-F439 HydrophobicContact CG1-CD1 3.78Å; I318-F439 HydrophobicContact CG1-CD2 3.88Å; I318-F439 HydrophobicContact CG1-CE1 4.17Å; I318-F439 HydrophobicContact CG1-CE2 4.24Å; I318-F439 HydrophobicContact CG1-CG 3.63Å; I318-F439 HydrophobicContact CG1-CZ 4.39Å; I318-F439 HydrophobicContact CG2-CD2 4.21Å; I318-F439 HydrophobicContact CG2-CE2 3.99Å; I318-F439 HydrophobicContact CG2-CZ 4.39Å; A410-F439 HydrophobicContact CB-CD2 4.09Å; A410-F439 HydrophobicContact CB-CE2 3.86Å; V411-F439 PolarHBondContact O-N 2.97Å; V412-F439 WeakPolarHBondContact CA-O 3.16Å; V412-F439 HydrophobicContact CG1-CB 4.42Å; V412-F439 HydrophobicContact CG2-CB 4.37Å; V412-F439 HydrophobicContact CG2-CD2 4.22Å; I413-F439 PolarHBondContact N-O 3.19Å; F437-F439 HydrophobicContact CB-CD2 4.19Å; F437-F439 HydrophobicContact CB-CE2 3.51Å; F437-F439 HydrophobicContact CB-CZ 3.99Å; F437-F439 HydrophobicContact CD1-CE2 4.28Å; F437-F439 AromaticContact CD1-CZ 3.87Å; F437-F439 HydrophobicContact CD1-CZ 3.87Å; F437-F439 HydrophobicContact CG-CE2 4.09Å; F437-F439 HydrophobicContact CG-CZ 4.11Å; F439-G441 PolarHBondContact O-N 2.9Å; F439-E460 CarbonylContact C-O 3.54Å; F439-E460 WeakPolarHBondContact CA-O 3.31Å; F439-E460 HydrophobicContact CD1-CB 3.74Å; F439-E460 HydrophobicContact CD1-CG 4.5Å; F439-E460 HydrophobicContact CE1-CB 3.97Å; F439-E460 HydrophobicContact CE1-CG 4.23Å
440D98.6Very high97.3Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-88.2100.9178.1-176.6-1.6000110.5R442 R443 V444 L445 E460 T461 I462D440-R442 PolarHBondContact O-N 3.2Å; D440-R442 WeakPolarHBondContact OD1-CA 3.36Å; D440-R442 PolarHBondContact OD1-N 3.01Å; D440-R443 PolarHBondContact OD1-N 2.85Å; D440-R443 VanDerWaalsContact OD2-C 3.29Å; D440-R443 VanDerWaalsContact OD2-CA 3.3Å; D440-R443 WeakPolarHBondContact OD2-CA 3.48Å; D440-R443 PolarHBondContact OD2-N 2.94Å; D440-V444 PolarHBondContact OD1-N 3.25Å; D440-V444 PolarHBondContact OD2-N 3.46Å; D440-L445 PolarHBondContact OD2-N 3.01Å; D440-E460 PolarHBondContact N-O 3.03Å; D440-T461 WeakPolarHBondContact O-CA 3.43Å; D440-T461 PolarHBondContact O-OG1 3.2Å; D440-I462 PolarHBondContact O-N 3.18Å
441G98.6Very high97.2Very high0 Ų040.4 Ų40.40%022%0.22CC..SBendtrans-812.4176.800000114.2S269 V270 I413 F439S269-G441 CarbonylContact C-O 3.5Å; S269-G441 WeakPolarHBondContact CA-O 3.19Å; V270-G441 PolarHBondContact N-O 2.95Å; I413-G441 WeakPolarHBondContact O-CA 3.23Å; I413-G441 PolarHBondContact O-N 3.08Å; F439-G441 PolarHBondContact O-N 2.9Å
442R98.4Very high97.1Very high25 Ų2535.2 Ų35.29%0.09420%0.198CC..SBendtrans-133.4-0.6-170.2-69.7-65.7-177.2148.40.4114.8F338 C414 E416 D440 V444F338-R442 PolarHBondContact O-NH2 2.95Å; C414-R442 VanDerWaalsContact O-CZ 3.26Å; C414-R442 PolarHBondContact O-NE 2.84Å; C414-R442 PolarHBondContact O-NH2 2.99Å; E416-R442 HydrophobicContact CB-CB 4.01Å; E416-R442 HydrophobicContact CB-CG 4.2Å; E416-R442 IonicContact OE1-NH1 2.65Å; E416-R442 VanDerWaalsContact OE2-CD 3.32Å; E416-R442 WeakPolarHBondContact OE2-CD 3.45Å; E416-R442 IonicContact OE2-CZ 3.72Å; E416-R442 IonicContact OE2-NE 3.73Å; E416-R442 PolarHBondContact OE2-NE 2.68Å; E416-R442 IonicContact OE2-NH1 3.99Å; E416-R442 PolarHBondContact OE2-NH1 3.27Å; E416-R442 IonicContact OE2-NH2 2.77Å; D440-R442 PolarHBondContact O-N 3.2Å; D440-R442 WeakPolarHBondContact OD1-CA 3.36Å; D440-R442 PolarHBondContact OD1-N 3.01Å; R442-V444 HydrophobicContact CB-CB 4.39Å; R442-V444 PolarHBondContact O-N 2.83Å
443R96.5Very high97Very high9 Ų938.1 Ų38.13%0.03421%0.211CC..SBendtrans5633.8-175.3-51.5-59.9-51.4-126.6-21.7111.6D247 D440 D446 T461 I462 K464D247-R443 IonicContact OD1-CZ 3.81Å; D247-R443 IonicContact OD1-NH1 3.08Å; D247-R443 IonicContact OD1-NH2 3.29Å; D247-R443 PolarHBondContact OD1-NH2 2.79Å; D247-R443 VanDerWaalsContact OD1-NH2 3.08Å; D247-R443 IonicContact OD2-NH2 2.83Å; D247-R443 PolarHBondContact OD2-NH2 3.24Å; D440-R443 PolarHBondContact OD1-N 2.85Å; D440-R443 VanDerWaalsContact OD2-C 3.29Å; D440-R443 VanDerWaalsContact OD2-CA 3.3Å; D440-R443 WeakPolarHBondContact OD2-CA 3.48Å; D440-R443 PolarHBondContact OD2-N 2.94Å; R443-D446 VanDerWaalsContact CA-OD1 3.26Å; R443-D446 WeakPolarHBondContact CA-OD1 3.25Å; R443-D446 WeakPolarHBondContact CB-OD1 3.45Å; R443-D446 IonicContact CZ-OD1 2.73Å; R443-D446 IonicContact CZ-OD2 3.19Å; R443-D446 IonicContact NE-OD1 2.75Å; R443-D446 PolarHBondContact NE-OD1 3.28Å; R443-D446 IonicContact NE-OD2 3.91Å; R443-D446 PolarHBondContact NE-OD2 3.31Å; R443-D446 IonicContact NH2-OD1 3.8Å; R443-D446 PolarHBondContact NH2-OD1 3.24Å; R443-D446 IonicContact NH2-OD2 3.85Å; R443-D446 PolarHBondContact NH2-OD2 3.22Å; R443-T461 WeakPolarHBondContact CD-OG1 3.28Å; R443-T461 PolarHBondContact NE-OG1 3.41Å; R443-I462 WeakPolarHBondContact CD-O 3.27Å; R443-I462 PolarHBondContact NH1-O 2.91Å; R443-K464 VanDerWaalsContact NH1-CB 3.3Å
444V97.4Very high96.9Very high13 Ų1340.1 Ų40.18%0.07923%0.227CC..  trans-80.6-24-176.179.40000110.8I413 E416 K421 D440 R442I413-V444 HydrophobicContact CD1-CG1 3.86Å; I413-V444 HydrophobicContact CG2-CG1 3.93Å; E416-V444 HydrophobicContact CB-CG2 4.49Å; K421-V444 HydrophobicContact CD-CG2 4.15Å; K421-V444 WeakPolarHBondContact CE-O 3.44Å; K421-V444 HydrophobicContact CG-CG2 3.74Å; K421-V444 WeakPolarHBondContact CG-O 3.2Å; D440-V444 PolarHBondContact OD1-N 3.25Å; D440-V444 PolarHBondContact OD2-N 3.46Å; R442-V444 HydrophobicContact CB-CB 4.39Å; R442-V444 PolarHBondContact O-N 2.83Å
445L97.7Very high96.9Very high1 Ų136.7 Ų36.71%0.00521%0.214CC..SBendtrans-104.111.5-175.6-54.4-176.6000114.3I413 Y425 I438 D440 G447 L448 H449 L452 I459I413-L445 HydrophobicContact CD1-CD1 3.59Å; I413-L445 HydrophobicContact CD1-CD2 4.29Å; I413-L445 HydrophobicContact CD1-CG 3.9Å; Y425-L445 HydrophobicContact CE1-CD1 4.33Å; Y425-L445 HydrophobicContact CE2-CD2 4.15Å; Y425-L445 WeakPolarHBondContact OH-CD2 3.31Å; I438-L445 HydrophobicContact CG2-CD1 3.85Å; D440-L445 PolarHBondContact OD2-N 3.01Å; L445-G447 PolarHBondContact O-N 3.12Å; L445-L448 HydrophobicContact CD2-CD1 4.14Å; L445-L448 WeakPolarHBondContact O-CA 3.45Å; L445-L448 PolarHBondContact O-N 3.07Å; L445-H449 PolarHBondContact O-CD2 2.9Å; L445-L452 HydrophobicContact CB-CD1 4.3Å; L445-L452 HydrophobicContact CD1-CD1 3.94Å; L445-I459 HydrophobicContact CB-CD1 4.4Å; L445-I459 HydrophobicContact CD1-CD1 4.16Å
446D93.9Very high96.8Very high50 Ų5035.5 Ų35.527%0.26721%0.211SC..G310 helixtrans-50.1-39.1-171.9-79.818.8000114.3R443 L448R443-D446 VanDerWaalsContact CA-OD1 3.26Å; R443-D446 WeakPolarHBondContact CA-OD1 3.25Å; R443-D446 WeakPolarHBondContact CB-OD1 3.45Å; R443-D446 IonicContact CZ-OD1 2.73Å; R443-D446 IonicContact CZ-OD2 3.19Å; R443-D446 IonicContact NE-OD1 2.75Å; R443-D446 PolarHBondContact NE-OD1 3.28Å; R443-D446 IonicContact NE-OD2 3.91Å; R443-D446 PolarHBondContact NE-OD2 3.31Å; R443-D446 IonicContact NH2-OD1 3.8Å; R443-D446 PolarHBondContact NH2-OD1 3.24Å; R443-D446 IonicContact NH2-OD2 3.85Å; R443-D446 PolarHBondContact NH2-OD2 3.22Å; D446-L448 VanDerWaalsContact C-N 3.3Å; D446-L448 PolarHBondContact O-N 2.78Å
447G91.6Very high96.8Very high80 Ų8035.7 Ų35.783%0.82521%0.212SC*.G310 helixtrans-75.6-12.6178.500000115.2L445L445-G447 PolarHBondContact O-N 3.12Å
448L96.1Very high96.8Very high44 Ų4439.8 Ų39.823%0.2323%0.231CC..G310 helixtrans-105-1.4-173-60.1177000113.3L445 D446 N450 E451 L452L445-L448 HydrophobicContact CD2-CD1 4.14Å; L445-L448 WeakPolarHBondContact O-CA 3.45Å; L445-L448 PolarHBondContact O-N 3.07Å; D446-L448 VanDerWaalsContact C-N 3.3Å; D446-L448 PolarHBondContact O-N 2.78Å; L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.27Å; L448-E451 PolarHBondContact O-N 2.79Å; L448-E451 VanDerWaalsContact O-N 3.15Å; L448-L452 HydrophobicContact CB-CD1 3.87Å; L448-L452 HydrophobicContact CB-CG 4.14Å; L448-L452 WeakPolarHBondContact O-CB 3.4Å; L448-L452 VanDerWaalsContact O-CG 3.28Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 3.34Å
449H94.9Very high96.7Very high12 Ų1240 Ų406%0.05623%0.232CC..Hα-helixtrans-54.5-45.2-174-77.1-162.3000113.7L445 L452 Q453L445-H449 PolarHBondContact O-CD2 2.9Å; H449-L452 PolarHBondContact O-N 2.77Å; H449-Q453 WeakPolarHBondContact O-CB 3.22Å; H449-Q453 WeakPolarHBondContact O-CG 3.12Å; H449-Q453 PolarHBondContact O-N 3.42Å
450N93.9Very high96.6Very high128 Ų12841.6 Ų41.668%0.68424%0.24SC*.Hα-helixtrans-65.9-40.3-179.1-70.2-21.7000112L448 T454L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.27Å; N450-T454 WeakPolarHBondContact O-CB 3.22Å; N450-T454 PolarHBondContact O-N 3.45Å; N450-T454 PolarHBondContact O-OG1 3.07Å
451E96.5Very high96.5Very high115 Ų11541.6 Ų41.654%0.53724%0.24SC..Hα-helixtrans-66.4-47.9177.6-177.1-177.9167.100110.7L448 Q453 T454 I455L448-E451 PolarHBondContact O-N 2.79Å; L448-E451 VanDerWaalsContact O-N 3.15Å; E451-Q453 VanDerWaalsContact C-N 3.32Å; E451-Q453 PolarHBondContact O-N 2.62Å; E451-T454 CarbonylContact O-C 3.34Å; E451-T454 WeakPolarHBondContact O-CA 3.34Å; E451-T454 WeakPolarHBondContact O-CB 3.4Å; E451-T454 PolarHBondContact O-N 2.71Å; E451-I455 HydrophobicContact CG-CD1 4.22Å; E451-I455 WeakPolarHBondContact O-CG1 3.49Å; E451-I455 PolarHBondContact O-N 3.32Å
452L97.4Very high96.5Very high1 Ų141.6 Ų41.61%0.00524%0.24CC..Hα-helixtrans-62.1-39178.6-66.1170.7000112.2Y425 I438 L445 L448 H449 T454 I455 G456 F457 I459Y425-L452 VanDerWaalsContact CB-CD2 3.44Å; Y425-L452 HydrophobicContact CD1-CD2 3.65Å; Y425-L452 HydrophobicContact CD2-CD2 3.89Å; Y425-L452 HydrophobicContact CE1-CD2 4.38Å; Y425-L452 HydrophobicContact CG-CD2 3.38Å; I438-L452 HydrophobicContact CD1-CD1 4.32Å; I438-L452 HydrophobicContact CD1-CD2 4.21Å; L445-L452 HydrophobicContact CB-CD1 4.3Å; L445-L452 HydrophobicContact CD1-CD1 3.94Å; L448-L452 HydrophobicContact CB-CD1 3.87Å; L448-L452 HydrophobicContact CB-CG 4.14Å; L448-L452 WeakPolarHBondContact O-CB 3.4Å; L448-L452 VanDerWaalsContact O-CG 3.28Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 3.34Å; H449-L452 PolarHBondContact O-N 2.77Å; L452-T454 VanDerWaalsContact C-N 3.34Å; L452-I455 HydrophobicContact CD2-CD1 4.43Å; L452-I455 PolarHBondContact O-N 3.33Å; L452-G456 PolarHBondContact O-N 3.17Å; L452-G456 VanDerWaalsContact O-N 3.09Å; L452-F457 HydrophobicContact CB-CB 4.44Å; L452-F457 HydrophobicContact CB-CD2 4.27Å; L452-F457 HydrophobicContact CD2-CD2 3.96Å; L452-F457 HydrophobicContact CD2-CE2 4.17Å; L452-F457 WeakPolarHBondContact O-CB 3.5Å; L452-F457 PolarHBondContact O-N 2.98Å; L452-I459 HydrophobicContact CB-CD1 4.49Å; L452-I459 HydrophobicContact CD1-CD1 3.45Å; L452-I459 VanDerWaalsContact CD1-CD1 3.45Å
453Q95.7Very high96.5Very high67 Ų6740.4 Ų40.431%0.31324%0.235SC..Hα-helixtrans-65.9-36.3172.8-74.7175.9-7.400112.3H449 E451 G456 I459H449-Q453 WeakPolarHBondContact O-CB 3.22Å; H449-Q453 WeakPolarHBondContact O-CG 3.12Å; H449-Q453 PolarHBondContact O-N 3.42Å; E451-Q453 VanDerWaalsContact C-N 3.32Å; E451-Q453 PolarHBondContact O-N 2.62Å; Q453-G456 PolarHBondContact O-N 3.43Å; Q453-I459 HydrophobicContact CG-CG2 4.09Å
454T96.6Very high96.4Very high125 Ų12543.1 Ų43.177%0.76725%0.247SC*.Hα-helixtrans-67.3-39.1175.5-58.10000111.4N450 E451 L452 G456N450-T454 WeakPolarHBondContact O-CB 3.22Å; N450-T454 PolarHBondContact O-N 3.45Å; N450-T454 PolarHBondContact O-OG1 3.07Å; E451-T454 CarbonylContact O-C 3.34Å; E451-T454 WeakPolarHBondContact O-CA 3.34Å; E451-T454 WeakPolarHBondContact O-CB 3.4Å; E451-T454 PolarHBondContact O-N 2.71Å; L452-T454 VanDerWaalsContact C-N 3.34Å; T454-G456 PolarHBondContact O-N 2.98Å
455I97.9Very high96Very high39 Ų3948.9 Ų48.920%0.227%0.271CS..Hα-helixtrans-61.5-34.8172.8-69.4167.7000111E426 H429 E451 L452 F457E426-I455 HydrophobicContact CB-CD1 4.46Å; H429-I455 HydrophobicContact CB-CG2 3.43Å; H429-I455 VanDerWaalsContact CB-CG2 3.43Å; H429-I455 PolarHBondContact CE1-O 2.86Å; H429-I455 VanDerWaalsContact CG-CG2 3.5Å; H429-I455 PolarHBondContact ND1-O 3.09Å; E451-I455 HydrophobicContact CG-CD1 4.22Å; E451-I455 WeakPolarHBondContact O-CG1 3.49Å; E451-I455 PolarHBondContact O-N 3.32Å; L452-I455 HydrophobicContact CD2-CD1 4.43Å; L452-I455 PolarHBondContact O-N 3.33Å; I455-F457 HydrophobicContact CB-CD2 4.37Å; I455-F457 HydrophobicContact CG2-CD2 4Å; I455-F457 HydrophobicContact CG2-CE2 3.91Å
456G97.2Very high94.5Very high30 Ų3050.4 Ų50.431%0.30928%0.281SS..THydrogen-bonded Turntrans124.58.9174.800000115.2L452 Q453 T454L452-G456 PolarHBondContact O-N 3.17Å; L452-G456 VanDerWaalsContact O-N 3.09Å; Q453-G456 PolarHBondContact O-N 3.43Å; T454-G456 PolarHBondContact O-N 2.98Å
457F98.3Very high92.7Very high4 Ų452.3 Ų52.32%0.01830%0.298CS..  trans-72.3144.6177.4-74.1-74.5000112.9Y425 I428 H429 M432 A436 I438 L452 I455 I459Y425-F457 HydrophobicContact CD1-CE2 4.24Å; Y425-F457 HydrophobicContact CD1-CZ 4.43Å; Y425-F457 WeakPolarHBondContact O-CE2 3.42Å; I428-F457 HydrophobicContact CG2-CZ 4.07Å; H429-F457 HydrophobicContact CB-CD2 4.4Å; H429-F457 HydrophobicContact CB-CE1 4.29Å; H429-F457 HydrophobicContact CB-CE2 3.57Å; H429-F457 HydrophobicContact CB-CZ 3.51Å; H429-F457 AromaticContact CD2-CE1 3.96Å; H429-F457 AromaticContact CD2-CZ 3.97Å; M432-F457 HydrophobicContact CE-CE1 4.44Å; M432-F457 HydrophobicContact SD-CE1 3.66Å; M432-F457 HydrophobicContact SD-CZ 4.27Å; A436-F457 HydrophobicContact CB-CD1 3.77Å; A436-F457 HydrophobicContact CB-CE1 3.87Å; I438-F457 HydrophobicContact CD1-CB 4.16Å; I438-F457 HydrophobicContact CD1-CD1 3.61Å; I438-F457 HydrophobicContact CD1-CD2 3.8Å; I438-F457 HydrophobicContact CD1-CE1 3.81Å; I438-F457 HydrophobicContact CD1-CE2 3.98Å; I438-F457 HydrophobicContact CD1-CG 3.59Å; I438-F457 HydrophobicContact CD1-CZ 3.98Å; I438-F457 HydrophobicContact CG1-CB 4.45Å; I438-F457 HydrophobicContact CG1-CD1 3.59Å; I438-F457 HydrophobicContact CG1-CE1 3.88Å; I438-F457 HydrophobicContact CG1-CG 4.02Å; L452-F457 HydrophobicContact CB-CB 4.44Å; L452-F457 HydrophobicContact CB-CD2 4.27Å; L452-F457 HydrophobicContact CD2-CD2 3.96Å; L452-F457 HydrophobicContact CD2-CE2 4.17Å; L452-F457 WeakPolarHBondContact O-CB 3.5Å; L452-F457 PolarHBondContact O-N 2.98Å; I455-F457 HydrophobicContact CB-CD2 4.37Å; I455-F457 HydrophobicContact CG2-CD2 4Å; I455-F457 HydrophobicContact CG2-CE2 3.91Å; F457-I459 PolarHBondContact O-N 3.41Å
458Q97.4Very high90.8Very high92 Ų9253.3 Ų53.343%0.4329%0.292SS..EExtended strand (participates in β ladder)trans-87.699.5158-63.6-166.437.300108.4P435 A436 F437 I438P435-Q458 VanDerWaalsContact CB-NE2 3.28Å; A436-Q458 PolarHBondContact O-N 3.13Å; F437-Q458 WeakPolarHBondContact CA-O 3.32Å; F437-Q458 HydrophobicContact CD1-CB 3.52Å; F437-Q458 HydrophobicContact CE1-CB 3.6Å; F437-Q458 HydrophobicContact CE1-CG 4.2Å; F437-Q458 HydrophobicContact CG-CB 4.17Å; F437-Q458 HydrophobicContact CZ-CB 4.3Å; F437-Q458 HydrophobicContact CZ-CG 4.48Å; I438-Q458 PolarHBondContact N-O 3.49Å
459I96.8Very high88.5Confident4 Ų459.9 Ų59.92%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-92.7132.2179.1-167.1146.2000111.3I438 L445 L452 Q453 F457 V466I438-I459 HydrophobicContact CB-CD1 4.29Å; I438-I459 HydrophobicContact CB-CG1 4.27Å; I438-I459 HydrophobicContact CG2-CD1 4.12Å; I438-I459 HydrophobicContact CG2-CG1 4.37Å; I438-I459 WeakPolarHBondContact O-CA 3.32Å; L445-I459 HydrophobicContact CB-CD1 4.4Å; L445-I459 HydrophobicContact CD1-CD1 4.16Å; L452-I459 HydrophobicContact CB-CD1 4.49Å; L452-I459 HydrophobicContact CD1-CD1 3.45Å; L452-I459 VanDerWaalsContact CD1-CD1 3.45Å; Q453-I459 HydrophobicContact CG-CG2 4.09Å; F457-I459 PolarHBondContact O-N 3.41Å; I459-V466 HydrophobicContact CG2-CG1 4.32Å; I459-V466 WeakPolarHBondContact O-CB 3.21Å; I459-V466 VanDerWaalsContact O-CG1 3.3Å; I459-V466 WeakPolarHBondContact O-CG1 3.5Å; I459-V466 WeakPolarHBondContact O-CG2 3.38Å
460E96.9Very high86.1Confident35 Ų3570.3 Ų70.316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-130.4138.9176.2-67.6-150.6-135.500109.1R317 S321 I438 F439 D440R317-E460 IonicContact CZ-OE2 2.79Å; R317-E460 IonicContact NE-OE2 2.78Å; R317-E460 PolarHBondContact NE-OE2 2.64Å; R317-E460 IonicContact NH2-OE2 3.22Å; R317-E460 PolarHBondContact NH2-OE2 2.85Å; S321-E460 WeakPolarHBondContact CB-OE1 3.38Å; S321-E460 PolarHBondContact OG-OE1 3.39Å; I438-E460 PolarHBondContact O-N 2.82Å; F439-E460 CarbonylContact C-O 3.54Å; F439-E460 WeakPolarHBondContact CA-O 3.31Å; F439-E460 HydrophobicContact CD1-CB 3.74Å; F439-E460 HydrophobicContact CD1-CG 4.5Å; F439-E460 HydrophobicContact CE1-CB 3.97Å; F439-E460 HydrophobicContact CE1-CG 4.23Å; D440-E460 PolarHBondContact N-O 3.03Å
461T98.1Very high83.8Confident0 Ų070 Ų700%036%0.355CS..EExtended strand (participates in β ladder)trans-144.5154.5-176.8-165.30000110.8R317 D440 R443 K464 V466R317-T461 PolarHBondContact NH1-O 2.81Å; D440-T461 WeakPolarHBondContact O-CA 3.43Å; D440-T461 PolarHBondContact O-OG1 3.2Å; R443-T461 WeakPolarHBondContact CD-OG1 3.28Å; R443-T461 PolarHBondContact NE-OG1 3.41Å; T461-K464 HydrophobicContact CG2-CB 3.8Å; T461-K464 HydrophobicContact CG2-CD 4.28Å; T461-V466 HydrophobicContact CG2-CG2 4.49Å
462I98.3Very high81Confident0 Ų069.7 Ų69.70%036%0.363CS..THydrogen-bonded Turntrans-62.3137.5178.5-73.8177.7000110.3A268 S269 V270 F314 D440 R443 K464A268-I462 HydrophobicContact CB-CG2 4.14Å; S269-I462 WeakPolarHBondContact O-CD1 3.21Å; V270-I462 HydrophobicContact CB-CD1 3.96Å; F314-I462 HydrophobicContact CD2-CD1 3.8Å; F314-I462 HydrophobicContact CD2-CG1 3.62Å; F314-I462 HydrophobicContact CE2-CD1 4.1Å; F314-I462 HydrophobicContact CE2-CG1 3.84Å; F314-I462 HydrophobicContact CG-CD1 4.36Å; D440-I462 PolarHBondContact O-N 3.18Å; R443-I462 WeakPolarHBondContact CD-O 3.27Å; R443-I462 PolarHBondContact NH1-O 2.91Å; I462-K464 VanDerWaalsContact C-N 3.3Å; I462-K464 PolarHBondContact O-N 3.21Å
463G97.6Very high78.3Confident0 Ų079 Ų790%040%0.399CS..THydrogen-bonded Turntrans73.813.8172.400000116.1S238 C241 E242 V248S238-G463 WeakPolarHBondContact O-CA 3.32Å; C241-G463 WeakPolarHBondContact CB-O 3.27Å; E242-G463 PolarHBondContact OE1-N 3.41Å; V248-G463 PolarHBondContact N-O 3.01Å
464K95.2Very high75.5Confident65 Ų6579.5 Ų79.528%0.28342%0.415SS..BIsolated β-bridgetrans-141.9130174.7-174.1178.1-162.4135.40110.8D247 R443 T461 I462 V466D247-K464 VanDerWaalsContact OD2-CD 3.31Å; D247-K464 WeakPolarHBondContact OD2-CD 3.35Å; D247-K464 WeakPolarHBondContact OD2-CE 3.29Å; D247-K464 IonicContact OD2-NZ 2.68Å; D247-K464 PolarHBondContact OD2-NZ 3.27Å; R443-K464 VanDerWaalsContact NH1-CB 3.3Å; T461-K464 HydrophobicContact CG2-CB 3.8Å; T461-K464 HydrophobicContact CG2-CD 4.28Å; I462-K464 VanDerWaalsContact C-N 3.3Å; I462-K464 PolarHBondContact O-N 3.21Å; K464-V466 PolarHBondContact O-N 3.44Å; K464-V466 VanDerWaalsContact O-N 3.17Å
465K87.8Confident72.7Confident135 Ų13578.1 Ų78.159%0.58741%0.408SS*.  trans-76.398.3166.9-170172.7-174170.60108.3S467K465-S467 PolarHBondContact O-N 3.47Å; K465-S467 VanDerWaalsContact O-N 3.15Å
466V66.6Low70Confident33 Ų3381.9 Ų81.920%0.244%0.438CS..  trans-73.3111.5174.6-174.40000107.4I459 T461 K464 S468I459-V466 HydrophobicContact CG2-CG1 4.32Å; I459-V466 WeakPolarHBondContact O-CB 3.21Å; I459-V466 VanDerWaalsContact O-CG1 3.3Å; I459-V466 WeakPolarHBondContact O-CG1 3.5Å; I459-V466 WeakPolarHBondContact O-CG2 3.38Å; T461-V466 HydrophobicContact CG2-CG2 4.49Å; K464-V466 PolarHBondContact O-N 3.44Å; K464-V466 VanDerWaalsContact O-N 3.17Å; V466-S468 PolarHBondContact O-N 2.96Å; V466-S468 VanDerWaalsContact O-N 3.08Å
467S57.1Low67.3Low89 Ų8983.6 Ų83.662%0.62246%0.456SS*.  trans-64.9114178760000108.7K465 K469K465-S467 PolarHBondContact O-N 3.47Å; K465-S467 VanDerWaalsContact O-N 3.15Å; S467-K469 PolarHBondContact O-N 3.38Å
468S51.2Low64.5Low101 Ų10192.7 Ų92.771%0.70650%0.498SS*.  trans-69.490163.562.70000106.7V466 R470V466-S468 PolarHBondContact O-N 2.96Å; V466-S468 VanDerWaalsContact O-N 3.08Å; S468-R470 PolarHBondContact O-N 2.88Å
469K48.3Very low61.7Low182 Ų18294.7 Ų94.779%0.79151%0.511SS*.  trans-58.9103.8144.4-81.1-175.3178.8178.20103.3S467 I471S467-K469 PolarHBondContact O-N 3.38Å; K469-I471 VanDerWaalsContact C-N 3.29Å; K469-I471 PolarHBondContact O-N 3.27Å
470R43.4Very low58.9Low231 Ų23199.2 Ų99.287%0.87254%0.54SS*.  trans-49.8105.2168.8-80.1-177.8179.8179.7-0.3104.8S468 P472S468-R470 PolarHBondContact O-N 2.88Å; R470-P472 WeakPolarHBondContact O-CD 3.36Å
471I46.4Very low56Low123 Ų123107.5 Ų107.563%0.63158%0.576SS**  trans-64.3112.8170.4-59.6176.3000102.8K469 Y473K469-I471 VanDerWaalsContact C-N 3.29Å; K469-I471 PolarHBondContact O-N 3.27Å; I471-Y473 PolarHBondContact O-N 3.16Å; I471-Y473 VanDerWaalsContact O-N 3.12Å
472P37.3Very low53.1Low108 Ų108116.5 Ų116.570%0.70162%0.615SS**  trans-58.5126.2176.823.3-28.9000106.4R470 A474R470-P472 WeakPolarHBondContact O-CD 3.36Å; P472-A474 PolarHBondContact O-N 2.66Å
473Y40.6Very low50.2Low195 Ų195121.1 Ų121.177%0.76565%0.647SS**  trans-48.3107.8172.4176-95.8000108.6I471 P475I471-Y473 PolarHBondContact O-N 3.16Å; I471-Y473 VanDerWaalsContact O-N 3.12Å; Y473-P475 HydrophobicContact CD1-CB 4.5Å; Y473-P475 HydrophobicContact CE1-CB 3.79Å; Y473-P475 HydrophobicContact CE1-CG 4.23Å
474A37.1Very low47.7Very low79 Ų79129.4 Ų129.465%0.65369%0.691SS**  trans-96110.6168.800000106.3P472 S476P472-A474 PolarHBondContact O-N 2.66Å; A474-S476 PolarHBondContact O-N 2.99Å
475P36.8Very low45.3Very low95 Ų95134 Ų13462%0.61771%0.714SS**  trans-70.4100.8173.927.2-28000107.8Y473Y473-P475 HydrophobicContact CD1-CB 4.5Å; Y473-P475 HydrophobicContact CE1-CB 3.79Å; Y473-P475 HydrophobicContact CE1-CG 4.23Å
476S42.2Very low42.9Very low118 Ų118135.2 Ų135.283%0.82573%0.726SS**  trans-98.1109163.750.20000108.9A474A474-S476 PolarHBondContact O-N 2.99Å
477G40.6Very low41.8Very low67 Ų67139 Ų13969%0.69175%0.751SS**SBendtrans105.2137167.600000114.4I479G477-I479 PolarHBondContact O-N 3.22Å
478E38.2Very low41.2Very low194 Ų194140.7 Ų140.791%0.90776%0.761SS**PPolyproline II helixtrans-46.9125-176.5-67.1176.7149.400113.2P480E478-P480 WeakPolarHBondContact O-CD 3.36Å
479I39Very low40.6Very low134 Ų134143.7 Ų143.769%0.68777%0.769SS**PPolyproline II helixtrans-67121.4166.5-61.2161.5000107G477 K481G477-I479 PolarHBondContact O-N 3.22Å; I479-K481 PolarHBondContact O-N 3.13Å; I479-K481 VanDerWaalsContact O-N 3.08Å
480P38.9Very low40.2Very low99 Ų99144.6 Ų144.664%0.64377%0.773SS**PPolyproline II helixtrans-61.8117163.9-11.125.1000106.9E478 F482E478-P480 WeakPolarHBondContact O-CD 3.36Å; P480-F482 PolarHBondContact O-N 3.18Å
481K36Very low40.2Very low209 Ų209142.9 Ų142.991%0.90977%0.771SS**  trans-59.998.3173.6-74.6-177.6178.8177.10108.7I479 S483I479-K481 PolarHBondContact O-N 3.13Å; I479-K481 VanDerWaalsContact O-N 3.08Å; K481-S483 PolarHBondContact O-N 2.9Å
482F37.4Very low40Very low189 Ų189142.9 Ų142.983%0.82978%0.779SS**  trans-73.4111.3161.2-95-86.3000107.9P480 L484P480-F482 PolarHBondContact O-N 3.18Å; F482-L484 PolarHBondContact O-N 2.91Å
483S36.6Very low40.4Very low97 Ų97147.6 Ų147.668%0.67879%0.789SS**  trans-66.1109.5170.8173.80000109.4K481 Q485K481-S483 PolarHBondContact O-N 2.9Å; S483-Q485 VanDerWaalsContact C-N 3.31Å; S483-Q485 PolarHBondContact O-N 2.84Å
484L45.2Very low40.6Very low174 Ų174148.6 Ų148.691%0.91182%0.815SS**  trans-88.768.4163.9-83.4164.7000109.2F482F482-L484 PolarHBondContact O-N 2.91Å
485Q45.2Very low40.8Very low163 Ų163152.1 Ų152.176%0.76282%0.823SS**  trans-145.799.6162.3-72.9-169.4-12.100108.7S483S483-Q485 VanDerWaalsContact C-N 3.31Å; S483-Q485 PolarHBondContact O-N 2.84Å
486D36.4Very low41Very low159 Ų159155.1 Ų155.185%0.8583%0.834SS**  trans-164.8128.4130.7-87.6-30.3000109
487P43.8Very low40.9Very low112 Ų112157.2 Ų157.273%0.72783%0.834SS**PPolyproline II helixtrans-71.4154.6173.629.9-31.4000110.5N489P487-N489 PolarHBondContact O-N 3.08Å
488P43.6Very low40.9Very low126 Ų126162.5 Ų162.582%0.81884%0.843SS**PPolyproline II helixtrans-61.9130.8-178.123.6-31.3000111.3K490P488-K490 PolarHBondContact O-N 3.34Å
489N39.5Very low41.1Very low164 Ų164160.5 Ų160.588%0.87784%0.839SS**PPolyproline II helixtrans-49.8128.6174.8-99.9-30.7000111.1P487 K491P487-N489 PolarHBondContact O-N 3.08Å; N489-K491 PolarHBondContact O-N 3.36Å
490K40.4Very low41.2Very low201 Ų201162.3 Ų162.387%0.87485%0.849SS**PPolyproline II helixtrans-53.2129.9169.6-79.1174.7174.3173.10109.6P488P488-K490 PolarHBondContact O-N 3.34Å
491K43.2Very low41.4Very low194 Ų194166.8 Ų166.884%0.84386%0.864SS**PPolyproline II helixtrans-52.9138.4167.7-73.1-178.6174.9-178.70110.2N489N489-K491 PolarHBondContact O-N 3.36Å
492P42.6Very low41.8Very low123 Ų123163.5 Ų163.580%0.79986%0.86SS**PPolyproline II helixtrans-68.3134.2167.328.3-29.8000108.9V494P492-V494 PolarHBondContact O-N 3.18Å
493K44.6Very low42.2Very low208 Ų208161.4 Ų161.490%0.90486%0.863SS**PPolyproline II helixtrans-62.3119.9168-76.8-179.4172.8-177.90109
494V45Very low42.7Very low216 Ų216167.3 Ų167.3100%1.30988%0.88SS**  trans-136.50136.5-179.60000106.5P492P492-V494 PolarHBondContact O-N 3.18Å

Retrieved 494 of 494 residues in 145.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).