A0A3Q0KG50_SCHMA Loading...

Putative chromatin regulatory protein sir2

AlphaFold DB , UniProt , Accession A0A3Q0KG50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low48.8Very low74 Ų7486.4 Ų86.437%0.36546%0.46SS..  0128.60-84.6176.5-87.100107.8K3 N79M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-N79 PolarHBondContact SD-ND2 3.26Å
2E35.7Very low49.7Very low168 Ų16885.8 Ų85.879%0.78545%0.451SS*.  trans-60.6114.9163.9-74.8177.1166.600106.4F4 R50E2-F4 PolarHBondContact O-N 3.4Å; E2-R50 IonicContact OE2-NH1 3.87Å
3K50.3Low50.5Low172 Ų17281.5 Ų81.575%0.74843%0.428SS*.  trans-52.8141.2170.4-74178179.3171.40107M1 S5M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-S5 VanDerWaalsContact C-N 3.28Å; K3-S5 PolarHBondContact O-N 3.19Å; K3-S5 PolarHBondContact O-OG 3.43Å
4F44.6Very low51.3Low98 Ų9876.4 Ų76.443%0.4341%0.406SS..  trans-52.9101.6165.3-84.7-100.9000107.9E2 V47 D81 L99E2-F4 PolarHBondContact O-N 3.4Å; F4-V47 HydrophobicContact CE1-CG2 3.34Å; F4-V47 HydrophobicContact CE2-CG2 4.27Å; F4-V47 HydrophobicContact CZ-CG2 3.07Å; F4-D81 HydrophobicContact CE2-CB 4.05Å; F4-D81 HydrophobicContact CZ-CB 4.03Å; F4-L99 HydrophobicContact CZ-CD1 4.2Å
5S41.5Very low51.5Low98 Ų9879.1 Ų79.169%0.68543%0.431SS*.  trans-103.8109.8170.536.50000104.9K3K3-S5 VanDerWaalsContact C-N 3.28Å; K3-S5 PolarHBondContact O-N 3.19Å; K3-S5 PolarHBondContact O-OG 3.43Å
6Y51.3Low52Low11 Ų1182.1 Ų82.14%0.04344%0.441CS..  trans-54152.2142.3-114.5-104.8000106.6G8 F10 F11 L20 F39 Y42 G126 P128Y6-G8 CarbonylContact C-O 3.57Å; Y6-G8 WeakPolarHBondContact CB-O 3.46Å; Y6-G8 PolarHBondContact O-N 2.87Å; Y6-G8 VanDerWaalsContact O-O 3.08Å; Y6-F10 WeakPolarHBondContact CD1-O 3.39Å; Y6-F11 AromaticContact CE1-CD2 3.92Å; Y6-F11 HydrophobicContact CE1-CD2 3.92Å; Y6-F11 AromaticContact CE2-CD2 3.79Å; Y6-F11 HydrophobicContact CE2-CD2 3.79Å; Y6-F11 HydrophobicContact CE2-CE2 4.45Å; Y6-F11 AromaticContact CZ-CD2 3.3Å; Y6-F11 AromaticContact CZ-CE2 3.83Å; Y6-F11 WeakPolarHBondContact OH-CD2 3.42Å; Y6-F11 WeakPolarHBondContact OH-CE2 3.45Å; Y6-L20 HydrophobicContact CD2-CD2 3.8Å; Y6-L20 HydrophobicContact CE2-CD2 4.22Å; Y6-L20 HydrophobicContact CG-CD2 4.32Å; Y6-F39 HydrophobicContact CE2-CD2 4.4Å; Y6-F39 HydrophobicContact CE2-CE2 4.43Å; Y6-Y42 HydrophobicContact CD2-CD1 4.01Å; Y6-Y42 AromaticContact CD2-CE1 3.44Å; Y6-Y42 HydrophobicContact CD2-CE1 3.44Å; Y6-Y42 VanDerWaalsContact CD2-CE1 3.44Å; Y6-Y42 HydrophobicContact CE1-CE1 4.42Å; Y6-Y42 AromaticContact CE2-CD1 3.06Å; Y6-Y42 HydrophobicContact CE2-CD1 3.06Å; Y6-Y42 AromaticContact CE2-CE1 2.91Å; Y6-Y42 HydrophobicContact CE2-CE1 2.91Å; Y6-Y42 AromaticContact CE2-CG 3.98Å; Y6-Y42 HydrophobicContact CE2-CG 3.98Å; Y6-Y42 AromaticContact CE2-CZ 3.76Å; Y6-Y42 HydrophobicContact CG-CE1 4.32Å; Y6-Y42 AromaticContact CZ-CD1 3.49Å; Y6-Y42 VanDerWaalsContact CZ-CD1 3.49Å; Y6-Y42 AromaticContact CZ-CE1 3.41Å; Y6-Y42 VanDerWaalsContact CZ-CE1 3.41Å; Y6-Y42 AromaticContact CZ-CG 3.95Å; Y6-Y42 AromaticContact CZ-CZ 3.83Å; Y6-Y42 VanDerWaalsContact OH-CD1 3.28Å; Y6-Y42 WeakPolarHBondContact OH-CD1 3.47Å; Y6-Y42 VanDerWaalsContact OH-CG 3.25Å; Y6-G126 PolarHBondContact OH-O 3.27Å; Y6-P128 HydrophobicContact CD1-CB 3.74Å; Y6-P128 HydrophobicContact CD1-CG 3.78Å; Y6-P128 HydrophobicContact CE1-CB 3.25Å; Y6-P128 HydrophobicContact CE1-CG 3.25Å; Y6-P128 VanDerWaalsContact OH-CD 3.3Å; Y6-P128 WeakPolarHBondContact OH-CD 3.45Å
7P49.6Very low52.7Low101 Ų10186.4 Ų86.466%0.65646%0.455SS*.SBendtrans-62.380.1162.124.3-29.1000108.6P128P7-P128 HydrophobicContact CG-CB 4.19Å; P7-P128 HydrophobicContact CG-CG 4.36Å
8G49.3Very low53.6Low40 Ų4083.2 Ų83.241%0.41244%0.44SS..SBendtrans112.3168.1-169.200000114.7Y6 F10Y6-G8 CarbonylContact C-O 3.57Å; Y6-G8 WeakPolarHBondContact CB-O 3.46Å; Y6-G8 PolarHBondContact O-N 2.87Å; Y6-G8 VanDerWaalsContact O-O 3.08Å; G8-F10 PolarHBondContact O-N 3.09Å
9D57.1Low54.5Low119 Ų11984.3 Ų84.364%0.63644%0.438SS*.SBendtrans-80.715.8174.2-66.7-39.2000113.3Y19 L20D9-Y19 HydrophobicContact CB-CD1 4.21Å; D9-Y19 WeakPolarHBondContact O-CA 3.27Å; D9-L20 PolarHBondContact O-N 3.49Å; D9-L20 VanDerWaalsContact O-N 3.13Å
10F58.7Low55.4Low69 Ų6982.2 Ų82.230%0.30343%0.427SS..EExtended strand (participates in β ladder)trans-128.2138.7-167-54.2-97.5000112.1Y6 G8 K17 T18 Y19Y6-F10 WeakPolarHBondContact CD1-O 3.39Å; G8-F10 PolarHBondContact O-N 3.09Å; F10-K17 HydrophobicContact CB-CB 4.47Å; F10-K17 HydrophobicContact CD1-CB 4.18Å; F10-T18 CarbonylContact C-O 3.51Å; F10-T18 VanDerWaalsContact CA-O 3.3Å; F10-T18 WeakPolarHBondContact CA-O 3.33Å; F10-Y19 AromaticContact CD1-CD1 3.8Å; F10-Y19 HydrophobicContact CD1-CD1 3.8Å; F10-Y19 HydrophobicContact CD1-CD2 4.23Å; F10-Y19 AromaticContact CD1-CE1 3.86Å; F10-Y19 HydrophobicContact CD1-CE1 3.86Å; F10-Y19 HydrophobicContact CD1-CE2 4.25Å; F10-Y19 HydrophobicContact CD1-CG 4.01Å; F10-Y19 AromaticContact CE1-CD1 3.53Å; F10-Y19 HydrophobicContact CE1-CD1 3.53Å; F10-Y19 AromaticContact CE1-CD2 3.91Å; F10-Y19 HydrophobicContact CE1-CD2 3.91Å; F10-Y19 AromaticContact CE1-CE1 3.09Å; F10-Y19 HydrophobicContact CE1-CE1 3.09Å; F10-Y19 AromaticContact CE1-CE2 3.49Å; F10-Y19 HydrophobicContact CE1-CE2 3.49Å; F10-Y19 VanDerWaalsContact CE1-CE2 3.49Å; F10-Y19 AromaticContact CE1-CG 3.93Å; F10-Y19 HydrophobicContact CE1-CG 3.93Å; F10-Y19 AromaticContact CE1-CZ 3.05Å; F10-Y19 WeakPolarHBondContact CE1-OH 3.3Å; F10-Y19 HydrophobicContact CE2-CD1 4.41Å; F10-Y19 AromaticContact CE2-CE1 3.89Å; F10-Y19 HydrophobicContact CE2-CE1 3.89Å; F10-Y19 HydrophobicContact CG-CD1 4.41Å; F10-Y19 AromaticContact CZ-CD1 3.85Å; F10-Y19 HydrophobicContact CZ-CD1 3.85Å; F10-Y19 AromaticContact CZ-CE1 3.09Å; F10-Y19 HydrophobicContact CZ-CE1 3.09Å; F10-Y19 HydrophobicContact CZ-CE2 4.2Å; F10-Y19 AromaticContact CZ-CZ 3.3Å; F10-Y19 VanDerWaalsContact CZ-OH 3.32Å; F10-Y19 WeakPolarHBondContact CZ-OH 3.46Å
11F64Low56.3Low0 Ų084.4 Ų84.40%043%0.433CS..EExtended strand (participates in β ladder)trans-89.7136.4162.7-175.6-100.9000109.5Y6 N13 K17 T18 L20 L23 L35 E38 F39 G126Y6-F11 AromaticContact CE1-CD2 3.92Å; Y6-F11 HydrophobicContact CE1-CD2 3.92Å; Y6-F11 AromaticContact CE2-CD2 3.79Å; Y6-F11 HydrophobicContact CE2-CD2 3.79Å; Y6-F11 HydrophobicContact CE2-CE2 4.45Å; Y6-F11 AromaticContact CZ-CD2 3.3Å; Y6-F11 AromaticContact CZ-CE2 3.83Å; Y6-F11 WeakPolarHBondContact OH-CD2 3.42Å; Y6-F11 WeakPolarHBondContact OH-CE2 3.45Å; F11-N13 HydrophobicContact CD1-CB 4.5Å; F11-N13 HydrophobicContact CE1-CB 3.97Å; F11-K17 WeakPolarHBondContact O-CA 3.37Å; F11-T18 PolarHBondContact N-O 3.42Å; F11-T18 PolarHBondContact O-N 2.72Å; F11-L20 HydrophobicContact CB-CD2 4.17Å; F11-L23 HydrophobicContact CB-CD1 3.4Å; F11-L23 VanDerWaalsContact CB-CD1 3.4Å; F11-L23 HydrophobicContact CD1-CD1 3.64Å; F11-L23 HydrophobicContact CG-CD1 3.62Å; F11-L35 HydrophobicContact CD1-CD1 4.01Å; F11-L35 HydrophobicContact CE1-CD1 3.67Å; F11-E38 HydrophobicContact CE1-CB 4.37Å; F11-E38 HydrophobicContact CZ-CB 3.9Å; F11-F39 HydrophobicContact CB-CD2 4.47Å; F11-F39 HydrophobicContact CD1-CB 4.34Å; F11-F39 HydrophobicContact CD2-CB 3.9Å; F11-F39 AromaticContact CD2-CD2 3.66Å; F11-F39 HydrophobicContact CD2-CD2 3.66Å; F11-F39 HydrophobicContact CD2-CG 4.24Å; F11-F39 HydrophobicContact CE1-CB 4.22Å; F11-F39 HydrophobicContact CE2-CB 3.83Å; F11-F39 HydrophobicContact CE2-CD2 4.19Å; F11-F39 HydrophobicContact CG-CB 4.18Å; F11-F39 HydrophobicContact CG-CD2 4.22Å; F11-F39 HydrophobicContact CZ-CB 3.98Å; F11-G126 VanDerWaalsContact CE2-O 3.32Å; F11-G126 WeakPolarHBondContact CE2-O 3.28Å
12K59.8Low58.7Low80 Ų8084.2 Ų84.235%0.34843%0.434SS..EExtended strand (participates in β ladder)trans-115.6121.8176.9-170179.8174-172.40109.6G14 E16 I133K12-G14 WeakPolarHBondContact CE-O 3.44Å; K12-E16 WeakPolarHBondContact CA-O 3.35Å; K12-I133 VanDerWaalsContact O-CD1 3.3Å; K12-I133 WeakPolarHBondContact O-CD1 3.5Å
13N58.9Low61.1Low29 Ų2976.3 Ų76.316%0.15540%0.397CS..EExtended strand (participates in β ladder)trans-116.590.9168.8-174.2-2.6000108.8F11 C15 E16 L35 E38 I133F11-N13 HydrophobicContact CD1-CB 4.5Å; F11-N13 HydrophobicContact CE1-CB 3.97Å; N13-C15 PolarHBondContact O-N 3.12Å; N13-E16 PolarHBondContact N-O 3.41Å; N13-L35 HydrophobicContact CB-CD1 3.36Å; N13-L35 VanDerWaalsContact ND2-CD1 3.29Å; N13-L35 WeakPolarHBondContact ND2-CD1 3.31Å; N13-E38 PolarHBondContact ND2-OE2 3.33Å; N13-E38 PolarHBondContact OD1-OE2 3.26Å; N13-I133 WeakPolarHBondContact OD1-CG2 3.37Å
14G61.6Low63.1Low11 Ų1168.8 Ų68.811%0.11337%0.367CS..THydrogen-bonded Turntrans63.7-109.2-17500000111.9K12K12-G14 WeakPolarHBondContact CE-O 3.44Å
15C54.6Low65.4Low117 Ų11765.4 Ų65.479%0.79135%0.354SS*.THydrogen-bonded Turntrans-84.1-15.7-171.8-60.10000114.8N13N13-C15 PolarHBondContact O-N 3.12Å
16E59.4Low67.9Low127 Ų12763 Ų6359%0.59334%0.336SS*.EExtended strand (participates in β ladder)trans-108.3141.8-172.4-67.6-177.9179.900112.5K12 N13K12-E16 WeakPolarHBondContact CA-O 3.35Å; N13-E16 PolarHBondContact N-O 3.41Å
17K64.9Low70Confident155 Ų15568.4 Ų68.467%0.67437%0.366SS*.EExtended strand (participates in β ladder)trans-110.3121.3171.5-67.7-178.5-179.7179.70108.2F10 F11F10-K17 HydrophobicContact CB-CB 4.47Å; F10-K17 HydrophobicContact CD1-CB 4.18Å; F11-K17 WeakPolarHBondContact O-CA 3.37Å
18T68.2Low72.1Confident29 Ų2964.6 Ų64.618%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-121.4135.1178.1-46.90000109.1F10 F11 D22 L23F10-T18 CarbonylContact C-O 3.51Å; F10-T18 VanDerWaalsContact CA-O 3.3Å; F10-T18 WeakPolarHBondContact CA-O 3.33Å; F11-T18 PolarHBondContact N-O 3.42Å; F11-T18 PolarHBondContact O-N 2.72Å; T18-D22 HydrophobicContact CG2-CB 3.95Å; T18-L23 HydrophobicContact CG2-CD1 4.41Å; T18-L23 HydrophobicContact CG2-CD2 3.74Å; T18-L23 HydrophobicContact CG2-CG 3.69Å
19Y71.2Confident74.3Confident104 Ų10463.2 Ų63.241%0.40833%0.325SS..EExtended strand (participates in β ladder)trans-66.7144.9175.8-65.6-91.4000110.3D9 F10 K21 D22 L23D9-Y19 HydrophobicContact CB-CD1 4.21Å; D9-Y19 WeakPolarHBondContact O-CA 3.27Å; F10-Y19 AromaticContact CD1-CD1 3.8Å; F10-Y19 HydrophobicContact CD1-CD1 3.8Å; F10-Y19 HydrophobicContact CD1-CD2 4.23Å; F10-Y19 AromaticContact CD1-CE1 3.86Å; F10-Y19 HydrophobicContact CD1-CE1 3.86Å; F10-Y19 HydrophobicContact CD1-CE2 4.25Å; F10-Y19 HydrophobicContact CD1-CG 4.01Å; F10-Y19 AromaticContact CE1-CD1 3.53Å; F10-Y19 HydrophobicContact CE1-CD1 3.53Å; F10-Y19 AromaticContact CE1-CD2 3.91Å; F10-Y19 HydrophobicContact CE1-CD2 3.91Å; F10-Y19 AromaticContact CE1-CE1 3.09Å; F10-Y19 HydrophobicContact CE1-CE1 3.09Å; F10-Y19 AromaticContact CE1-CE2 3.49Å; F10-Y19 HydrophobicContact CE1-CE2 3.49Å; F10-Y19 VanDerWaalsContact CE1-CE2 3.49Å; F10-Y19 AromaticContact CE1-CG 3.93Å; F10-Y19 HydrophobicContact CE1-CG 3.93Å; F10-Y19 AromaticContact CE1-CZ 3.05Å; F10-Y19 WeakPolarHBondContact CE1-OH 3.3Å; F10-Y19 HydrophobicContact CE2-CD1 4.41Å; F10-Y19 AromaticContact CE2-CE1 3.89Å; F10-Y19 HydrophobicContact CE2-CE1 3.89Å; F10-Y19 HydrophobicContact CG-CD1 4.41Å; F10-Y19 AromaticContact CZ-CD1 3.85Å; F10-Y19 HydrophobicContact CZ-CD1 3.85Å; F10-Y19 AromaticContact CZ-CE1 3.09Å; F10-Y19 HydrophobicContact CZ-CE1 3.09Å; F10-Y19 HydrophobicContact CZ-CE2 4.2Å; F10-Y19 AromaticContact CZ-CZ 3.3Å; F10-Y19 VanDerWaalsContact CZ-OH 3.32Å; F10-Y19 WeakPolarHBondContact CZ-OH 3.46Å; Y19-K21 PolarHBondContact O-N 3.29Å; Y19-D22 WeakPolarHBondContact CB-OD2 3.19Å; Y19-D22 WeakPolarHBondContact CD2-OD2 3.38Å; Y19-D22 WeakPolarHBondContact O-CB 3.37Å; Y19-D22 PolarHBondContact O-N 2.77Å; Y19-L23 PolarHBondContact O-N 2.9Å
20L72.4Confident76.1Confident41 Ų4165.3 Ų65.322%0.21533%0.331CS..Hα-helixtrans-55.8-40.1-178.8-61.6176.9000112.7Y6 D9 F11 D22 L23 A24 F39Y6-L20 HydrophobicContact CD2-CD2 3.8Å; Y6-L20 HydrophobicContact CE2-CD2 4.22Å; Y6-L20 HydrophobicContact CG-CD2 4.32Å; D9-L20 PolarHBondContact O-N 3.49Å; D9-L20 VanDerWaalsContact O-N 3.13Å; F11-L20 HydrophobicContact CB-CD2 4.17Å; L20-D22 PolarHBondContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 3.06Å; L20-A24 PolarHBondContact O-N 2.91Å; L20-F39 HydrophobicContact CD2-CD2 4Å; L20-F39 HydrophobicContact CD2-CE2 3.38Å; L20-F39 HydrophobicContact CD2-CZ 4Å
21K74.4Confident77.7Confident129 Ų12966.6 Ų66.656%0.56135%0.349SS*.Hα-helixtrans-63.3-29.2177.365.4178.2-176.5177.30113Y19 T25 F166Y19-K21 PolarHBondContact O-N 3.29Å; K21-T25 WeakPolarHBondContact O-CG2 3.42Å; K21-F166 HydrophobicContact CB-CD2 4.42Å; K21-F166 HydrophobicContact CB-CE2 4.06Å
22D84.2Confident79Confident70 Ų7069.2 Ų69.237%0.37436%0.363SS..Hα-helixtrans-78.7-28.9-178.4-57.3-21.3000110.4T18 Y19 L20 T25 A28T18-D22 HydrophobicContact CG2-CB 3.95Å; Y19-D22 WeakPolarHBondContact CB-OD2 3.19Å; Y19-D22 WeakPolarHBondContact CD2-OD2 3.38Å; Y19-D22 WeakPolarHBondContact O-CB 3.37Å; Y19-D22 PolarHBondContact O-N 2.77Å; L20-D22 PolarHBondContact O-N 3.1Å; D22-T25 PolarHBondContact O-OG1 3.34Å; D22-A28 WeakPolarHBondContact O-CB 3.37Å
23L87.6Confident80.6Confident3 Ų366 Ų662%0.01635%0.35CS..Hα-helixtrans-78.4-26.1176-68.6176000114.1F11 T18 Y19 L20 T25 L35 V36 F39F11-L23 HydrophobicContact CB-CD1 3.4Å; F11-L23 VanDerWaalsContact CB-CD1 3.4Å; F11-L23 HydrophobicContact CD1-CD1 3.64Å; F11-L23 HydrophobicContact CG-CD1 3.62Å; T18-L23 HydrophobicContact CG2-CD1 4.41Å; T18-L23 HydrophobicContact CG2-CD2 3.74Å; T18-L23 HydrophobicContact CG2-CG 3.69Å; Y19-L23 PolarHBondContact O-N 2.9Å; L20-L23 PolarHBondContact O-N 3.06Å; L23-T25 PolarHBondContact O-N 2.94Å; L23-L35 HydrophobicContact CD2-CD2 3.72Å; L23-L35 HydrophobicContact CD2-CG 3.83Å; L23-V36 HydrophobicContact CD2-CG2 4.39Å; L23-F39 HydrophobicContact CB-CD1 3.94Å; L23-F39 HydrophobicContact CB-CE1 4.4Å; L23-F39 HydrophobicContact CB-CG 4.36Å; L23-F39 HydrophobicContact CD1-CB 3.8Å; L23-F39 HydrophobicContact CD1-CD1 4.28Å; L23-F39 HydrophobicContact CD1-CD2 4.29Å; L23-F39 HydrophobicContact CD1-CG 3.85Å
24A91Very high82.3Confident13 Ų1364.9 Ų64.911%0.10735%0.345CS..SBendtrans-88.551.4178.200000111.3L20 W165 F166L20-A24 PolarHBondContact O-N 2.91Å; A24-W165 WeakPolarHBondContact O-CA 3.36Å; A24-W165 VanDerWaalsContact O-CB 3.22Å; A24-W165 WeakPolarHBondContact O-CB 3.41Å; A24-F166 HydrophobicContact CB-CD2 4.13Å; A24-F166 HydrophobicContact CB-CE2 4.38Å; A24-F166 PolarHBondContact O-N 3.28Å
25T93.6Very high83.6Confident28 Ų2865.2 Ų65.217%0.17234%0.344CS..SBendtrans-134.2150.6-179.764.70000111.4K21 D22 L23 D27 A28 F29 F166K21-T25 WeakPolarHBondContact O-CG2 3.42Å; D22-T25 PolarHBondContact O-OG1 3.34Å; L23-T25 PolarHBondContact O-N 2.94Å; T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 3.06Å; T25-A28 PolarHBondContact O-N 2.88Å; T25-A28 WeakPolarHBondContact OG1-CB 3.43Å; T25-A28 PolarHBondContact OG1-N 3.44Å; T25-F29 PolarHBondContact O-N 3.08Å; T25-F166 HydrophobicContact CG2-CB 4.3Å
26P94.8Very high85.4Confident47 Ų4759.7 Ų59.731%0.30531%0.306SS..Hα-helixtrans-56.8-40170.4-2434.1000112.8F29 H30 W165 F166 E168P26-F29 PolarHBondContact O-N 3.11Å; P26-H30 WeakPolarHBondContact O-CB 3.42Å; P26-H30 PolarHBondContact O-N 3.44Å; P26-W165 HydrophobicContact CB-CE3 4.25Å; P26-W165 HydrophobicContact CG-CB 4.46Å; P26-W165 HydrophobicContact CG-CE3 4.06Å; P26-F166 WeakPolarHBondContact CD-O 3.22Å; P26-E168 HydrophobicContact CG-CG 3.66Å
27D95.1Very high87.1Confident125 Ų12553.8 Ų53.867%0.66828%0.279SS*.Hα-helixtrans-65.3-41.2-178.1-67.5-21.2000112.4T25 F29 H30 S31T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 3.06Å; D27-F29 VanDerWaalsContact C-N 3.35Å; D27-H30 PolarHBondContact O-N 3.42Å; D27-S31 VanDerWaalsContact O-CB 3.3Å; D27-S31 WeakPolarHBondContact O-CB 3.42Å; D27-S31 PolarHBondContact O-N 3.02Å; D27-S31 PolarHBondContact O-OG 2.74Å
28A93.1Very high88.4Confident20 Ų2046.5 Ų46.517%0.16525%0.247CC..Hα-helixtrans-65.4-39.5174.500000111.8D22 T25 S31 N32 V36D22-A28 WeakPolarHBondContact O-CB 3.37Å; T25-A28 PolarHBondContact O-N 2.88Å; T25-A28 WeakPolarHBondContact OG1-CB 3.43Å; T25-A28 PolarHBondContact OG1-N 3.44Å; A28-S31 PolarHBondContact O-N 2.69Å; A28-N32 CarbonylContact O-C 3.55Å; A28-N32 PolarHBondContact O-N 3.1Å; A28-V36 HydrophobicContact CB-CG2 4.03Å
29F95.4Very high89.5Confident11 Ų1145.9 Ų45.95%0.04824%0.242CC..Hα-helixtrans-68.9-36.6176.7-168.3-93.5000112.3T25 P26 D27 P33 V36 W37 L105 L158 R160 W165T25-F29 PolarHBondContact O-N 3.08Å; P26-F29 PolarHBondContact O-N 3.11Å; D27-F29 VanDerWaalsContact C-N 3.35Å; F29-P33 HydrophobicContact CD1-CB 4.17Å; F29-P33 HydrophobicContact CD2-CB 4Å; F29-P33 HydrophobicContact CE1-CB 3.89Å; F29-P33 HydrophobicContact CE2-CB 3.75Å; F29-P33 HydrophobicContact CG-CB 4.22Å; F29-P33 HydrophobicContact CZ-CB 3.7Å; F29-P33 WeakPolarHBondContact O-CA 3.45Å; F29-P33 VanDerWaalsContact O-CB 3.25Å; F29-P33 WeakPolarHBondContact O-CB 3.36Å; F29-P33 WeakPolarHBondContact O-CD 3.5Å; F29-V36 HydrophobicContact CB-CG2 4.36Å; F29-V36 HydrophobicContact CD2-CB 3.83Å; F29-V36 HydrophobicContact CD2-CG1 3.72Å; F29-V36 HydrophobicContact CD2-CG2 4.4Å; F29-V36 HydrophobicContact CE2-CG1 4.49Å; F29-W37 AromaticContact CE2-CD1 3.77Å; F29-W37 AromaticContact CE2-NE1 3.69Å; F29-W37 AromaticContact CZ-NE1 3.84Å; F29-L105 HydrophobicContact CD1-CD1 4.39Å; F29-L105 HydrophobicContact CE1-CD1 3.66Å; F29-L158 HydrophobicContact CE1-CD2 3.72Å; F29-L158 HydrophobicContact CE1-CG 4.34Å; F29-L158 HydrophobicContact CZ-CD2 3.82Å; F29-L158 HydrophobicContact CZ-CG 4.12Å; F29-R160 HydrophobicContact CE1-CB 4.18Å; F29-R160 HydrophobicContact CE2-CB 4.09Å; F29-R160 HydrophobicContact CZ-CB 3.81Å; F29-W165 HydrophobicContact CB-CE3 4.42Å; F29-W165 HydrophobicContact CB-CH2 3.35Å; F29-W165 HydrophobicContact CB-CZ2 4.09Å; F29-W165 HydrophobicContact CB-CZ3 3.51Å; F29-W165 AromaticContact CD1-CH2 3.8Å; F29-W165 HydrophobicContact CD1-CH2 3.8Å; F29-W165 HydrophobicContact CD1-CZ3 4.22Å; F29-W165 AromaticContact CD2-CH2 3.45Å; F29-W165 HydrophobicContact CD2-CH2 3.45Å; F29-W165 VanDerWaalsContact CD2-CH2 3.45Å; F29-W165 AromaticContact CD2-CZ2 3.84Å; F29-W165 HydrophobicContact CD2-CZ2 3.84Å; F29-W165 HydrophobicContact CD2-CZ3 4.44Å; F29-W165 HydrophobicContact CE1-CH2 4.48Å; F29-W165 HydrophobicContact CE2-CH2 4.17Å; F29-W165 AromaticContact CG-CH2 3.22Å; F29-W165 HydrophobicContact CG-CH2 3.22Å; F29-W165 HydrophobicContact CG-CZ2 4.04Å; F29-W165 AromaticContact CG-CZ3 3.81Å; F29-W165 HydrophobicContact CG-CZ3 3.81Å
30H94.4Very high90.6Very high164 Ų16441.6 Ų41.676%0.75923%0.225SC*.Hα-helixtrans-64.7-44.5173.6-178.372.8000111.3P26 D27P26-H30 WeakPolarHBondContact O-CB 3.42Å; P26-H30 PolarHBondContact O-N 3.44Å; D27-H30 PolarHBondContact O-N 3.42Å
31S92.4Very high91.6Very high96 Ų9640.2 Ų40.267%0.67122%0.218SC*.Hα-helixtrans-71.8-43.9-176.5-57.10000112.8D27 A28D27-S31 VanDerWaalsContact O-CB 3.3Å; D27-S31 WeakPolarHBondContact O-CB 3.42Å; D27-S31 PolarHBondContact O-N 3.02Å; D27-S31 PolarHBondContact O-OG 2.74Å; A28-S31 PolarHBondContact O-N 2.69Å
32N91.8Very high92.3Very high55 Ų5536 Ų3629%0.29420%0.199SC..  trans-150.277.4-177.8-166.2-17.5000111.5A28 G34 L35 V36A28-N32 CarbonylContact O-C 3.55Å; A28-N32 PolarHBondContact O-N 3.1Å; N32-G34 PolarHBondContact O-N 2.56Å; N32-G34 PolarHBondContact OD1-N 3.29Å; N32-L35 HydrophobicContact CB-CB 4.03Å; N32-L35 VanDerWaalsContact CG-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.47Å; N32-L35 PolarHBondContact OD1-N 2.82Å; N32-V36 PolarHBondContact O-N 3.22Å
33P94.5Very high92.7Very high13 Ų1333.3 Ų33.38%0.08419%0.185CC..Hα-helixtrans-64.5-24.3-178.525.3-33.1000112.4F29 W37 L140 L143 L158F29-P33 HydrophobicContact CD1-CB 4.17Å; F29-P33 HydrophobicContact CD2-CB 4Å; F29-P33 HydrophobicContact CE1-CB 3.89Å; F29-P33 HydrophobicContact CE2-CB 3.75Å; F29-P33 HydrophobicContact CG-CB 4.22Å; F29-P33 HydrophobicContact CZ-CB 3.7Å; F29-P33 WeakPolarHBondContact O-CA 3.45Å; F29-P33 VanDerWaalsContact O-CB 3.25Å; F29-P33 WeakPolarHBondContact O-CB 3.36Å; F29-P33 WeakPolarHBondContact O-CD 3.5Å; P33-W37 WeakPolarHBondContact O-CB 3.24Å; P33-W37 VanDerWaalsContact O-CD1 3.3Å; P33-W37 PolarHBondContact O-N 2.81Å; P33-L140 HydrophobicContact CB-CD2 4.34Å; P33-L140 HydrophobicContact CG-CD2 3.16Å; P33-L143 HydrophobicContact CB-CD1 4Å; P33-L143 HydrophobicContact CG-CD1 4.06Å; P33-L158 HydrophobicContact CB-CD2 4.18Å; P33-L158 HydrophobicContact CG-CD2 4.44Å
34G92.9Very high93Very high4 Ų433.2 Ų33.24%0.04118%0.184CC..Hα-helixtrans-64.3-49.7174.600000111.7N32 V36 W37 E38N32-G34 PolarHBondContact O-N 2.56Å; N32-G34 PolarHBondContact OD1-N 3.29Å; G34-V36 VanDerWaalsContact C-N 3.35Å; G34-V36 PolarHBondContact O-N 3.07Å; G34-W37 PolarHBondContact O-N 2.87Å; G34-E38 WeakPolarHBondContact O-CG 3.49Å; G34-E38 PolarHBondContact O-N 3.12Å
35L89.5Confident93Very high18 Ų1834.4 Ų34.49%0.09419%0.188CC..Hα-helixtrans-59.1-44.9176.4179.566.3000112F11 N13 L23 N32 W37 E38 F39F11-L35 HydrophobicContact CD1-CD1 4.01Å; F11-L35 HydrophobicContact CE1-CD1 3.67Å; N13-L35 HydrophobicContact CB-CD1 3.36Å; N13-L35 VanDerWaalsContact ND2-CD1 3.29Å; N13-L35 WeakPolarHBondContact ND2-CD1 3.31Å; L23-L35 HydrophobicContact CD2-CD2 3.72Å; L23-L35 HydrophobicContact CD2-CG 3.83Å; N32-L35 HydrophobicContact CB-CB 4.03Å; N32-L35 VanDerWaalsContact CG-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.47Å; N32-L35 PolarHBondContact OD1-N 2.82Å; L35-W37 VanDerWaalsContact C-N 3.34Å; L35-W37 PolarHBondContact O-N 3.13Å; L35-E38 PolarHBondContact O-N 3.36Å; L35-F39 PolarHBondContact O-N 3.35Å
36V92.9Very high92.8Very high1 Ų134.3 Ų34.31%0.00619%0.187CC..Hα-helixtrans-63-41.9177.3178.40000110.8L23 A28 F29 N32 G34 E38 F39 Y40 W165L23-V36 HydrophobicContact CD2-CG2 4.39Å; A28-V36 HydrophobicContact CB-CG2 4.03Å; F29-V36 HydrophobicContact CB-CG2 4.36Å; F29-V36 HydrophobicContact CD2-CB 3.83Å; F29-V36 HydrophobicContact CD2-CG1 3.72Å; F29-V36 HydrophobicContact CD2-CG2 4.4Å; F29-V36 HydrophobicContact CE2-CG1 4.49Å; N32-V36 PolarHBondContact O-N 3.22Å; G34-V36 VanDerWaalsContact C-N 3.35Å; G34-V36 PolarHBondContact O-N 3.07Å; V36-E38 PolarHBondContact O-N 2.93Å; V36-F39 WeakPolarHBondContact O-CB 3.5Å; V36-F39 PolarHBondContact O-N 3.14Å; V36-Y40 HydrophobicContact CG1-CD2 3.59Å; V36-Y40 HydrophobicContact CG1-CE2 3.61Å; V36-Y40 VanDerWaalsContact O-CD2 3.27Å; V36-Y40 WeakPolarHBondContact O-CD2 3.16Å; V36-Y40 PolarHBondContact O-N 2.84Å; V36-W165 HydrophobicContact CG1-CZ2 4.29Å
37W95.2Very high92.7Very high3 Ų332.3 Ų32.31%0.01117%0.174CC..Hα-helixtrans-65.3-34.9175.1-92118.6000113.7F29 P33 G34 L35 F39 Y40 H41 T102 I118 L122 L143 P144 L159 R160 P161F29-W37 AromaticContact CE2-CD1 3.77Å; F29-W37 AromaticContact CE2-NE1 3.69Å; F29-W37 AromaticContact CZ-NE1 3.84Å; P33-W37 WeakPolarHBondContact O-CB 3.24Å; P33-W37 VanDerWaalsContact O-CD1 3.3Å; P33-W37 PolarHBondContact O-N 2.81Å; G34-W37 PolarHBondContact O-N 2.87Å; L35-W37 VanDerWaalsContact C-N 3.34Å; L35-W37 PolarHBondContact O-N 3.13Å; W37-F39 VanDerWaalsContact C-N 3.33Å; W37-Y40 PolarHBondContact O-N 2.85Å; W37-H41 WeakPolarHBondContact O-CB 3.3Å; W37-H41 PolarHBondContact O-N 2.91Å; W37-T102 HydrophobicContact CH2-CG2 3.97Å; W37-I118 HydrophobicContact CE3-CG2 4.4Å; W37-I118 HydrophobicContact CH2-CD1 3.91Å; W37-I118 HydrophobicContact CZ3-CD1 3.87Å; W37-I118 HydrophobicContact CZ3-CG2 4.31Å; W37-L122 HydrophobicContact CB-CD1 4.26Å; W37-L122 HydrophobicContact CB-CD2 4.27Å; W37-L143 HydrophobicContact CB-CD2 4.08Å; W37-L143 HydrophobicContact CG-CD2 4.36Å; W37-P144 HydrophobicContact CD2-CG 3.92Å; W37-P144 HydrophobicContact CE3-CG 4.16Å; W37-P144 HydrophobicContact CG-CG 4.46Å; W37-P144 HydrophobicContact CH2-CB 4.36Å; W37-P144 HydrophobicContact CH2-CG 4.22Å; W37-P144 HydrophobicContact CZ2-CB 3.95Å; W37-P144 HydrophobicContact CZ2-CG 3.95Å; W37-P144 HydrophobicContact CZ3-CG 4.31Å; W37-L159 VanDerWaalsContact CE2-O 3.29Å; W37-L159 HydrophobicContact CZ2-CB 3.98Å; W37-L159 VanDerWaalsContact CZ2-O 3.23Å; W37-L159 WeakPolarHBondContact CZ2-O 3.4Å; W37-L159 PolarHBondContact NE1-O 3.12Å; W37-R160 VanDerWaalsContact CZ2-C 3.47Å; W37-P161 HydrophobicContact CE3-CG 4.17Å; W37-P161 HydrophobicContact CH2-CG 3.86Å; W37-P161 HydrophobicContact CZ2-CG 4.24Å; W37-P161 HydrophobicContact CZ3-CG 3.81Å
38E91.6Very high92.6Very high2 Ų230.2 Ų30.21%0.00916%0.157CC..Hα-helixtrans-62.3-42.3171.7-67.9-165.8178.600111.4F11 N13 G34 L35 V36 H41 Y42 L122 R125 I138F11-E38 HydrophobicContact CE1-CB 4.37Å; F11-E38 HydrophobicContact CZ-CB 3.9Å; N13-E38 PolarHBondContact ND2-OE2 3.33Å; N13-E38 PolarHBondContact OD1-OE2 3.26Å; G34-E38 WeakPolarHBondContact O-CG 3.49Å; G34-E38 PolarHBondContact O-N 3.12Å; L35-E38 PolarHBondContact O-N 3.36Å; V36-E38 PolarHBondContact O-N 2.93Å; E38-H41 PolarHBondContact O-N 3.29Å; E38-Y42 PolarHBondContact O-N 2.97Å; E38-L122 HydrophobicContact CB-CD2 4.43Å; E38-L122 HydrophobicContact CG-CD2 3.83Å; E38-R125 HydrophobicContact CG-CB 3.82Å; E38-R125 WeakPolarHBondContact OE1-CD 2.8Å; E38-R125 IonicContact OE1-CZ 3.71Å; E38-R125 IonicContact OE1-NE 3.84Å; E38-R125 IonicContact OE1-NH1 3.87Å; E38-R125 PolarHBondContact OE1-NH1 2.98Å; E38-I138 HydrophobicContact CG-CD1 4.04Å
39F91Very high92.5Very high16 Ų1633.3 Ų33.37%0.0718%0.177CC..Hα-helixtrans-60.5-51.2174.7165.5-117.5000112.8Y6 F11 L20 L23 L35 V36 W37 H41 Y42 C43Y6-F39 HydrophobicContact CE2-CD2 4.4Å; Y6-F39 HydrophobicContact CE2-CE2 4.43Å; F11-F39 HydrophobicContact CB-CD2 4.47Å; F11-F39 HydrophobicContact CD1-CB 4.34Å; F11-F39 HydrophobicContact CD2-CB 3.9Å; F11-F39 AromaticContact CD2-CD2 3.66Å; F11-F39 HydrophobicContact CD2-CD2 3.66Å; F11-F39 HydrophobicContact CD2-CG 4.24Å; F11-F39 HydrophobicContact CE1-CB 4.22Å; F11-F39 HydrophobicContact CE2-CB 3.83Å; F11-F39 HydrophobicContact CE2-CD2 4.19Å; F11-F39 HydrophobicContact CG-CB 4.18Å; F11-F39 HydrophobicContact CG-CD2 4.22Å; F11-F39 HydrophobicContact CZ-CB 3.98Å; L20-F39 HydrophobicContact CD2-CD2 4Å; L20-F39 HydrophobicContact CD2-CE2 3.38Å; L20-F39 HydrophobicContact CD2-CZ 4Å; L23-F39 HydrophobicContact CB-CD1 3.94Å; L23-F39 HydrophobicContact CB-CE1 4.4Å; L23-F39 HydrophobicContact CB-CG 4.36Å; L23-F39 HydrophobicContact CD1-CB 3.8Å; L23-F39 HydrophobicContact CD1-CD1 4.28Å; L23-F39 HydrophobicContact CD1-CD2 4.29Å; L23-F39 HydrophobicContact CD1-CG 3.85Å; L35-F39 PolarHBondContact O-N 3.35Å; V36-F39 WeakPolarHBondContact O-CB 3.5Å; V36-F39 PolarHBondContact O-N 3.14Å; W37-F39 VanDerWaalsContact C-N 3.33Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 3.05Å; F39-Y42 PolarHBondContact O-N 3.31Å; F39-C43 WeakPolarHBondContact CE2-SG 3.3Å; F39-C43 PolarHBondContact O-N 3.3Å; F39-C43 PolarHBondContact O-SG 3.2Å
40Y94.1Very high92.4Very high14 Ų1438.6 Ų38.66%0.05520%0.197CC..Hα-helixtrans-67.9-31178-80.9-77.2000112.8V36 W37 C43 R44 L99 P161 V163 W165V36-Y40 HydrophobicContact CG1-CD2 3.59Å; V36-Y40 HydrophobicContact CG1-CE2 3.61Å; V36-Y40 VanDerWaalsContact O-CD2 3.27Å; V36-Y40 WeakPolarHBondContact O-CD2 3.16Å; V36-Y40 PolarHBondContact O-N 2.84Å; W37-Y40 PolarHBondContact O-N 2.85Å; Y40-C43 PolarHBondContact O-N 3.43Å; Y40-R44 WeakPolarHBondContact O-CB 3.43Å; Y40-R44 WeakPolarHBondContact O-CD 3.37Å; Y40-R44 WeakPolarHBondContact O-CG 3.4Å; Y40-R44 PolarHBondContact O-N 3.16Å; Y40-L99 HydrophobicContact CD1-CD2 3.46Å; Y40-L99 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L99 HydrophobicContact CE1-CD2 3.76Å; Y40-P161 HydrophobicContact CD1-CB 3.93Å; Y40-P161 HydrophobicContact CD1-CG 3.88Å; Y40-P161 HydrophobicContact CD2-CB 4.29Å; Y40-P161 HydrophobicContact CD2-CG 3.47Å; Y40-P161 VanDerWaalsContact CD2-CG 3.47Å; Y40-P161 HydrophobicContact CE1-CB 4.18Å; Y40-P161 HydrophobicContact CE1-CG 4.37Å; Y40-P161 HydrophobicContact CE2-CB 4.49Å; Y40-P161 HydrophobicContact CE2-CG 3.98Å; Y40-P161 HydrophobicContact CG-CB 3.99Å; Y40-P161 HydrophobicContact CG-CG 3.41Å; Y40-P161 VanDerWaalsContact CG-CG 3.41Å; Y40-V163 HydrophobicContact CE1-CG1 4.36Å; Y40-V163 HydrophobicContact CE1-CG2 3.71Å; Y40-V163 VanDerWaalsContact OH-CG2 3.27Å; Y40-V163 WeakPolarHBondContact OH-CG2 3.27Å; Y40-W165 AromaticContact CE2-NE1 3.57Å; Y40-W165 AromaticContact CZ-NE1 3.53Å; Y40-W165 PolarHBondContact OH-NE1 3.17Å
41H93.5Very high92.4Very high13 Ų1335.5 Ų35.56%0.0619%0.193CC..Hα-helixtrans-60.3-49.1171.9179.542.6000110.8W37 E38 F39 C43 R44 E45 L122 R125W37-H41 WeakPolarHBondContact O-CB 3.3Å; W37-H41 PolarHBondContact O-N 2.91Å; E38-H41 PolarHBondContact O-N 3.29Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 3.05Å; H41-C43 PolarHBondContact O-N 3.5Å; H41-R44 WeakPolarHBondContact O-CB 3.44Å; H41-R44 PolarHBondContact O-N 2.97Å; H41-E45 IonicContact CE1-OE1 3.72Å; H41-E45 WeakPolarHBondContact O-CG 3.43Å; H41-E45 PolarHBondContact O-N 2.99Å; H41-L122 HydrophobicContact CB-CB 4.5Å; H41-L122 HydrophobicContact CB-CD1 4.27Å; H41-L122 HydrophobicContact CB-CD2 4.23Å; H41-L122 PolarHBondContact CD2-O 2.9Å; H41-L122 VanDerWaalsContact CD2-O 3.23Å; H41-L122 PolarHBondContact NE2-O 3.3Å; H41-R125 PolarHBondContact CD2-O 2.98Å
42Y90.1Very high92.7Very high40 Ų4032.1 Ų32.116%0.15717%0.168CC..Hα-helixtrans-58.4-47.8174.9170.3-92.4000112.4Y6 E38 F39 R44 E45 V46 G126 P128Y6-Y42 HydrophobicContact CD2-CD1 4.01Å; Y6-Y42 AromaticContact CD2-CE1 3.44Å; Y6-Y42 HydrophobicContact CD2-CE1 3.44Å; Y6-Y42 VanDerWaalsContact CD2-CE1 3.44Å; Y6-Y42 HydrophobicContact CE1-CE1 4.42Å; Y6-Y42 AromaticContact CE2-CD1 3.06Å; Y6-Y42 HydrophobicContact CE2-CD1 3.06Å; Y6-Y42 AromaticContact CE2-CE1 2.91Å; Y6-Y42 HydrophobicContact CE2-CE1 2.91Å; Y6-Y42 AromaticContact CE2-CG 3.98Å; Y6-Y42 HydrophobicContact CE2-CG 3.98Å; Y6-Y42 AromaticContact CE2-CZ 3.76Å; Y6-Y42 HydrophobicContact CG-CE1 4.32Å; Y6-Y42 AromaticContact CZ-CD1 3.49Å; Y6-Y42 VanDerWaalsContact CZ-CD1 3.49Å; Y6-Y42 AromaticContact CZ-CE1 3.41Å; Y6-Y42 VanDerWaalsContact CZ-CE1 3.41Å; Y6-Y42 AromaticContact CZ-CG 3.95Å; Y6-Y42 AromaticContact CZ-CZ 3.83Å; Y6-Y42 VanDerWaalsContact OH-CD1 3.28Å; Y6-Y42 WeakPolarHBondContact OH-CD1 3.47Å; Y6-Y42 VanDerWaalsContact OH-CG 3.25Å; E38-Y42 PolarHBondContact O-N 2.97Å; F39-Y42 PolarHBondContact O-N 3.31Å; Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 3.44Å; Y42-E45 PolarHBondContact O-N 2.89Å; Y42-V46 HydrophobicContact CD1-CG2 4Å; Y42-V46 HydrophobicContact CD2-CG2 4.11Å; Y42-V46 HydrophobicContact CE1-CG2 3.48Å; Y42-V46 VanDerWaalsContact CE1-CG2 3.48Å; Y42-V46 HydrophobicContact CE2-CG2 3.58Å; Y42-V46 HydrophobicContact CG-CG2 4.34Å; Y42-V46 WeakPolarHBondContact O-CG2 3.45Å; Y42-V46 PolarHBondContact O-N 2.87Å; Y42-G126 WeakPolarHBondContact CB-O 3.21Å; Y42-G126 WeakPolarHBondContact CD2-O 3.11Å; Y42-P128 HydrophobicContact CD2-CG 4.27Å; Y42-P128 HydrophobicContact CE1-CG 4.47Å; Y42-P128 HydrophobicContact CE2-CG 3.53Å
43C91.6Very high92.9Very high13 Ų1332 Ų329%0.08817%0.168CC..Hα-helixtrans-56.7-44.3178.4-720000111.6F39 Y40 H41 E45 V46 V47 L99F39-C43 WeakPolarHBondContact CE2-SG 3.3Å; F39-C43 PolarHBondContact O-N 3.3Å; F39-C43 PolarHBondContact O-SG 3.2Å; Y40-C43 PolarHBondContact O-N 3.43Å; H41-C43 PolarHBondContact O-N 3.5Å; C43-E45 VanDerWaalsContact C-N 3.32Å; C43-E45 PolarHBondContact O-N 3.03Å; C43-V46 PolarHBondContact O-N 3.39Å; C43-V47 VanDerWaalsContact O-CG2 3.32Å; C43-V47 WeakPolarHBondContact O-CG2 3.44Å; C43-V47 PolarHBondContact O-N 3.47Å; C43-L99 HydrophobicContact CB-CD1 4.27Å; C43-L99 HydrophobicContact CB-CD2 4.18Å
44R94Very high93.1Very high1 Ų133.8 Ų33.80%0.00418%0.183CC..Hα-helixtrans-59.9-40.3175.6-73.3165.457.885.8-1112.6Y40 H41 Y42 R48 L99 Y100 N113 D115Y40-R44 WeakPolarHBondContact O-CB 3.43Å; Y40-R44 WeakPolarHBondContact O-CD 3.37Å; Y40-R44 WeakPolarHBondContact O-CG 3.4Å; Y40-R44 PolarHBondContact O-N 3.16Å; H41-R44 WeakPolarHBondContact O-CB 3.44Å; H41-R44 PolarHBondContact O-N 2.97Å; Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 3.44Å; R44-R48 VanDerWaalsContact O-CB 3.28Å; R44-R48 WeakPolarHBondContact O-CB 3.29Å; R44-R48 PolarHBondContact O-N 3.25Å; R44-L99 HydrophobicContact CG-CB 4.23Å; R44-L99 WeakPolarHBondContact CG-O 3.36Å; R44-L99 PolarHBondContact NH1-O 3.15Å; R44-Y100 HydrophobicContact CB-CE1 4.28Å; R44-Y100 HydrophobicContact CG-CE1 4.38Å; R44-Y100 PolarHBondContact O-OH 3.26Å; R44-N113 PolarHBondContact NH1-O 3.49Å; R44-N113 PolarHBondContact NH2-O 2.9Å; R44-N113 PolarHBondContact NH2-OD1 3.16Å; R44-N113 VanDerWaalsContact NH2-OD1 3.12Å; R44-D115 PolarHBondContact NH2-O 3.12Å
45E90.8Very high93.3Very high38 Ų3833.7 Ų33.718%0.17818%0.182CC..Hα-helixtrans-70.3-41.5178.7-69.7-54.2121.300112.3H41 Y42 C43 R48 S49 K116H41-E45 IonicContact CE1-OE1 3.72Å; H41-E45 WeakPolarHBondContact O-CG 3.43Å; H41-E45 PolarHBondContact O-N 2.99Å; Y42-E45 PolarHBondContact O-N 2.89Å; C43-E45 VanDerWaalsContact C-N 3.32Å; C43-E45 PolarHBondContact O-N 3.03Å; E45-R48 PolarHBondContact O-N 3.4Å; E45-R48 IonicContact OE1-NE 2.68Å; E45-S49 PolarHBondContact O-N 3.46Å; E45-K116 WeakPolarHBondContact OE1-CG 3.42Å; E45-K116 WeakPolarHBondContact OE2-CD 3.21Å; E45-K116 WeakPolarHBondContact OE2-CE 3.41Å; E45-K116 IonicContact OE2-NZ 3.82Å; E45-K116 PolarHBondContact OE2-NZ 2.92Å
46V89.4Confident93.7Very high26 Ų2633 Ų3316%0.15818%0.179CC..Hα-helixtrans-60.4-52.7174.2173.30000110.4Y42 C43 R48 S49 R50Y42-V46 HydrophobicContact CD1-CG2 4Å; Y42-V46 HydrophobicContact CD2-CG2 4.11Å; Y42-V46 HydrophobicContact CE1-CG2 3.48Å; Y42-V46 VanDerWaalsContact CE1-CG2 3.48Å; Y42-V46 HydrophobicContact CE2-CG2 3.58Å; Y42-V46 HydrophobicContact CG-CG2 4.34Å; Y42-V46 WeakPolarHBondContact O-CG2 3.45Å; Y42-V46 PolarHBondContact O-N 2.87Å; C43-V46 PolarHBondContact O-N 3.39Å; V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.93Å; V46-S49 PolarHBondContact O-N 2.9Å; V46-S49 VanDerWaalsContact O-N 3.13Å; V46-S49 PolarHBondContact O-OG 3.38Å; V46-R50 WeakPolarHBondContact O-CG 3.43Å
47V92.6Very high94Very high5 Ų537.4 Ų37.43%0.0320%0.202CC..Hα-helixtrans-59.4-38.9179.9175.80000112.2F4 C43 S49 R50 D81 L99 Y100F4-V47 HydrophobicContact CE1-CG2 3.34Å; F4-V47 HydrophobicContact CE2-CG2 4.27Å; F4-V47 HydrophobicContact CZ-CG2 3.07Å; C43-V47 VanDerWaalsContact O-CG2 3.32Å; C43-V47 WeakPolarHBondContact O-CG2 3.44Å; C43-V47 PolarHBondContact O-N 3.47Å; V47-S49 PolarHBondContact O-N 3.42Å; V47-R50 WeakPolarHBondContact O-CB 3.43Å; V47-R50 PolarHBondContact O-N 3.1Å; V47-D81 HydrophobicContact CG1-CB 3.89Å; V47-D81 VanDerWaalsContact CG1-O 3.26Å; V47-D81 WeakPolarHBondContact CG1-O 3.28Å; V47-D81 HydrophobicContact CG2-CB 4Å; V47-L99 HydrophobicContact CG2-CD1 3.78Å; V47-Y100 HydrophobicContact CB-CE2 4.41Å; V47-Y100 WeakPolarHBondContact CB-OH 3.48Å; V47-Y100 HydrophobicContact CG1-CE2 3.76Å; V47-Y100 WeakPolarHBondContact CG1-OH 3.38Å
48R93Very high94.1Very high81 Ų8137.9 Ų37.931%0.30621%0.206SC..Hα-helixtrans-57.8-36.2-179.4-172.2-176.9-61.2-962111.4R44 E45 V46 R50 Y100 F114 D115R44-R48 VanDerWaalsContact O-CB 3.28Å; R44-R48 WeakPolarHBondContact O-CB 3.29Å; R44-R48 PolarHBondContact O-N 3.25Å; E45-R48 PolarHBondContact O-N 3.4Å; E45-R48 IonicContact OE1-NE 2.68Å; V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.93Å; R48-R50 VanDerWaalsContact C-N 3.25Å; R48-R50 PolarHBondContact O-N 3.16Å; R48-Y100 WeakPolarHBondContact CA-OH 3.3Å; R48-Y100 PolarHBondContact N-OH 3.26Å; R48-Y100 VanDerWaalsContact N-OH 3.07Å; R48-F114 PolarHBondContact NH1-O 3.18Å; R48-F114 PolarHBondContact NH2-O 3.37Å; R48-D115 PolarHBondContact NH2-O 2.92Å
49S91Very high94.4Very high86 Ų8638.5 Ų38.560%0.60121%0.21SC*.THydrogen-bonded Turntrans-75.2-7.2176.475.30000114.5E45 V46 V47E45-S49 PolarHBondContact O-N 3.46Å; V46-S49 PolarHBondContact O-N 2.9Å; V46-S49 VanDerWaalsContact O-N 3.13Å; V46-S49 PolarHBondContact O-OG 3.38Å; V47-S49 PolarHBondContact O-N 3.42Å
50R93.6Very high94.7Very high122 Ų12238.4 Ų38.446%0.4621%0.212SC..  trans-96.4148.8-178.5-54-51.4178.7154.1-0.6112.2E2 V46 V47 R48 K86E2-R50 IonicContact OE2-NH1 3.87Å; V46-R50 WeakPolarHBondContact O-CG 3.43Å; V47-R50 WeakPolarHBondContact O-CB 3.43Å; V47-R50 PolarHBondContact O-N 3.1Å; R48-R50 VanDerWaalsContact C-N 3.25Å; R48-R50 PolarHBondContact O-N 3.16Å; R50-K86 PolarHBondContact O-NZ 3.04Å
51C95.4Very high94.9Very high99 Ų9942.4 Ų42.467%0.66923%0.231SC*.  trans-111.8152.3171.2-67.60000110.1N53C51-N53 PolarHBondContact O-N 2.92Å
52P97.5Very high95Very high24 Ų2441.8 Ų41.816%0.15623%0.228CC..  trans-56.2129.5169.5-2031.6000110.6H56 L57 K86 A87P52-H56 HydrophobicContact CB-CB 3.74Å; P52-L57 HydrophobicContact CB-CD2 4.46Å; P52-K86 HydrophobicContact CG-CB 3.97Å; P52-K86 HydrophobicContact CG-CD 4.3Å; P52-K86 HydrophobicContact CG-CG 3.88Å; P52-A87 HydrophobicContact CB-CB 3.69Å; P52-A87 HydrophobicContact CG-CB 3.94Å
53N96.8Very high95.4Very high54 Ų5440.2 Ų40.229%0.28922%0.222SC..  trans-78.4173.7172.96648.5000112.1C51 G55 H56 L57C51-N53 PolarHBondContact O-N 2.92Å; N53-G55 PolarHBondContact O-N 2.67Å; N53-G55 WeakPolarHBondContact OD1-CA 3.29Å; N53-G55 PolarHBondContact OD1-N 3.43Å; N53-H56 VanDerWaalsContact CG-ND1 3.28Å; N53-H56 PolarHBondContact N-ND1 2.96Å; N53-H56 PolarHBondContact ND2-CE1 2.89Å; N53-H56 VanDerWaalsContact ND2-CE1 3.29Å; N53-H56 PolarHBondContact ND2-ND1 3.12Å; N53-H56 WeakPolarHBondContact O-CB 3.39Å; N53-H56 PolarHBondContact O-N 3.04Å; N53-H56 PolarHBondContact OD1-N 2.66Å; N53-H56 PolarHBondContact OD1-ND1 3.21Å; N53-H56 VanDerWaalsContact OD1-ND1 3.12Å; N53-L57 PolarHBondContact O-N 3.24Å
54A98Very high95.6Very high49 Ų4945.2 Ų45.241%0.40524%0.242SC..Hα-helixtrans-51.7-31.2179.800000114.5L57 A58 G237 P241A54-L57 PolarHBondContact O-N 2.97Å; A54-A58 VanDerWaalsContact O-CB 3.3Å; A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.46Å; A54-G237 WeakPolarHBondContact CB-O 3.37Å; A54-P241 HydrophobicContact CB-CG 4.3Å
55G97.9Very high95.6Very high2 Ų248.3 Ų48.32%0.02126%0.257CS..Hα-helixtrans-70.8-38.1178.100000112.4N53 L59N53-G55 PolarHBondContact O-N 2.67Å; N53-G55 WeakPolarHBondContact OD1-CA 3.29Å; N53-G55 PolarHBondContact OD1-N 3.43Å; G55-L59 WeakPolarHBondContact O-CG 3.29Å; G55-L59 PolarHBondContact O-N 2.94Å; G55-L59 VanDerWaalsContact O-N 3.14Å
56H98.5Very high95.8Very high4 Ų448.7 Ų48.72%0.01926%0.257CS..Hα-helixtrans-67.5-41.4173.7-57.698000111.3P52 N53 A58 L59 A60 H84 A87P52-H56 HydrophobicContact CB-CB 3.74Å; N53-H56 VanDerWaalsContact CG-ND1 3.28Å; N53-H56 PolarHBondContact N-ND1 2.96Å; N53-H56 PolarHBondContact ND2-CE1 2.89Å; N53-H56 VanDerWaalsContact ND2-CE1 3.29Å; N53-H56 PolarHBondContact ND2-ND1 3.12Å; N53-H56 WeakPolarHBondContact O-CB 3.39Å; N53-H56 PolarHBondContact O-N 3.04Å; N53-H56 PolarHBondContact OD1-N 2.66Å; N53-H56 PolarHBondContact OD1-ND1 3.21Å; N53-H56 VanDerWaalsContact OD1-ND1 3.12Å; H56-A58 VanDerWaalsContact C-N 3.35Å; H56-L59 PolarHBondContact O-N 3.31Å; H56-A60 PolarHBondContact O-N 3.14Å; H56-H84 AromaticContact CD2-CE1 3.78Å; H56-H84 AromaticContact CD2-ND1 3.74Å; H56-A87 HydrophobicContact CB-CB 3.68Å
57L98.3Very high96.1Very high94 Ų9450.2 Ų50.249%0.49227%0.266SS..Hα-helixtrans-64.8-40.1178.3-62.2175.4000111.4P52 N53 A54 A60 H61 A87P52-L57 HydrophobicContact CB-CD2 4.46Å; N53-L57 PolarHBondContact O-N 3.24Å; A54-L57 PolarHBondContact O-N 2.97Å; L57-A60 PolarHBondContact O-N 3.15Å; L57-H61 WeakPolarHBondContact O-CB 3.36Å; L57-H61 PolarHBondContact O-N 3.4Å; L57-A87 HydrophobicContact CD2-CB 4.3Å
58A97.9Very high96.2Very high13 Ų1356.3 Ų56.311%0.10730%0.295CS..Hα-helixtrans-61.8-42.1174.700000112A54 H56 H61 A62 L240 P241 F244A54-A58 VanDerWaalsContact O-CB 3.3Å; A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.46Å; H56-A58 VanDerWaalsContact C-N 3.35Å; A58-H61 PolarHBondContact O-N 2.75Å; A58-A62 VanDerWaalsContact O-CB 3.31Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å; A58-A62 PolarHBondContact O-N 2.86Å; A58-L240 HydrophobicContact CB-CB 3.99Å; A58-P241 HydrophobicContact CB-CB 4.49Å; A58-P241 HydrophobicContact CB-CG 4.04Å; A58-F244 HydrophobicContact CB-CD2 4.15Å
59L98Very high96.2Very high15 Ų1556.2 Ų56.28%0.07931%0.305CS..Hα-helixtrans-64.6-42174.6-69.4170.3000112.5G55 H56 H61 A62 E63 F73 I75 L240 F244G55-L59 WeakPolarHBondContact O-CG 3.29Å; G55-L59 PolarHBondContact O-N 2.94Å; G55-L59 VanDerWaalsContact O-N 3.14Å; H56-L59 PolarHBondContact O-N 3.31Å; L59-H61 VanDerWaalsContact C-N 3.34Å; L59-A62 PolarHBondContact O-N 2.64Å; L59-E63 WeakPolarHBondContact O-CB 3.35Å; L59-E63 PolarHBondContact O-N 3.46Å; L59-F73 HydrophobicContact CD2-CE1 4.37Å; L59-F73 HydrophobicContact CD2-CZ 4Å; L59-I75 HydrophobicContact CB-CD1 3.94Å; L59-I75 HydrophobicContact CD1-CD1 4.38Å; L59-L240 HydrophobicContact CD1-CD1 4.23Å; L59-L240 HydrophobicContact CD2-CD1 4.31Å; L59-L240 HydrophobicContact CG-CD1 4.03Å; L59-F244 HydrophobicContact CD2-CE2 4.01Å; L59-F244 HydrophobicContact CD2-CZ 4.11Å
60A97.9Very high96.4Very high14 Ų1455.6 Ų55.612%0.11631%0.313CS..Hα-helixtrans-63.7-41.417700000111.7H56 L57 K64 A87H56-A60 PolarHBondContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.15Å; A60-K64 PolarHBondContact O-N 3.21Å; A60-K64 VanDerWaalsContact O-N 3.16Å; A60-A87 HydrophobicContact CB-CB 4.28Å; A60-A87 VanDerWaalsContact CB-O 3.24Å; A60-A87 WeakPolarHBondContact CB-O 3.29Å
61H96.8Very high96.5Very high98 Ų9855 Ų5545%0.45431%0.31SS..Hα-helixtrans-65.4-46.7176.2-172.363.5000111.9L57 A58 L59 E63 K64 Q65L57-H61 WeakPolarHBondContact O-CB 3.36Å; L57-H61 PolarHBondContact O-N 3.4Å; A58-H61 PolarHBondContact O-N 2.75Å; L59-H61 VanDerWaalsContact C-N 3.34Å; H61-E63 PolarHBondContact O-N 3.3Å; H61-K64 WeakPolarHBondContact O-CB 3.35Å; H61-K64 PolarHBondContact O-N 3.43Å; H61-Q65 VanDerWaalsContact NE2-CD 3.32Å; H61-Q65 PolarHBondContact NE2-NE2 3.42Å; H61-Q65 WeakPolarHBondContact O-CG 3.39Å; H61-Q65 PolarHBondContact O-N 3.27Å
62A96.7Very high96.5Very high0 Ų054.7 Ų54.70%031%0.309CS..Hα-helixtrans-59.4-47175.600000111.2A58 L59 K64 Q65 Y66 F73 F244A58-A62 VanDerWaalsContact O-CB 3.31Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å; A58-A62 PolarHBondContact O-N 2.86Å; L59-A62 PolarHBondContact O-N 2.64Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.13Å; A62-Q65 PolarHBondContact O-N 3.36Å; A62-Q65 VanDerWaalsContact O-N 3.16Å; A62-Y66 HydrophobicContact CB-CD2 4.39Å; A62-Y66 HydrophobicContact CB-CE2 4.39Å; A62-Y66 WeakPolarHBondContact O-CD2 3.44Å; A62-Y66 PolarHBondContact O-N 3.2Å; A62-F73 HydrophobicContact CB-CE2 4Å; A62-F73 HydrophobicContact CB-CZ 4.15Å; A62-F244 HydrophobicContact CB-CD1 3.69Å; A62-F244 HydrophobicContact CB-CD2 4Å; A62-F244 HydrophobicContact CB-CE1 3.59Å; A62-F244 HydrophobicContact CB-CE2 3.9Å; A62-F244 HydrophobicContact CB-CG 3.91Å; A62-F244 HydrophobicContact CB-CZ 3.7Å
63E97.4Very high96.5Very high6 Ų654.9 Ų54.93%0.02831%0.308CS..Hα-helixtrans-52.9-48176.3179.5-179.5-174.500111.6L59 H61 T67 F73 C89 V90 N91L59-E63 WeakPolarHBondContact O-CB 3.35Å; L59-E63 PolarHBondContact O-N 3.46Å; H61-E63 PolarHBondContact O-N 3.3Å; E63-T67 HydrophobicContact CG-CG2 4.34Å; E63-T67 WeakPolarHBondContact O-CB 3.07Å; E63-T67 VanDerWaalsContact O-CG2 3.26Å; E63-T67 WeakPolarHBondContact O-CG2 3.26Å; E63-T67 PolarHBondContact O-N 2.79Å; E63-T67 PolarHBondContact O-OG1 2.73Å; E63-F73 HydrophobicContact CB-CB 4.33Å; E63-F73 HydrophobicContact CB-CD1 3.68Å; E63-F73 HydrophobicContact CB-CE1 4.26Å; E63-F73 HydrophobicContact CB-CG 4.14Å; E63-F73 HydrophobicContact CG-CB 4.2Å; E63-F73 HydrophobicContact CG-CD1 4.12Å; E63-F73 HydrophobicContact CG-CG 4.48Å; E63-C89 WeakPolarHBondContact OE2-CA 3.18Å; E63-C89 WeakPolarHBondContact OE2-CB 2.96Å; E63-V90 PolarHBondContact OE1-N 3.44Å; E63-V90 PolarHBondContact OE2-N 3.09Å; E63-N91 WeakPolarHBondContact OE1-CB 3.32Å; E63-N91 VanDerWaalsContact OE1-CG 3.27Å; E63-N91 PolarHBondContact OE1-N 2.91Å; E63-N91 PolarHBondContact OE1-ND2 3.27Å
64K96.1Very high96.6Very high118 Ų11856.4 Ų56.451%0.51331%0.312SS..Hα-helixtrans-59.2-50.9177.5-177.4178.6173.5-178.30111.8A60 H61 A62 Y66 T67 E68A60-K64 PolarHBondContact O-N 3.21Å; A60-K64 VanDerWaalsContact O-N 3.16Å; H61-K64 WeakPolarHBondContact O-CB 3.35Å; H61-K64 PolarHBondContact O-N 3.43Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.13Å; K64-Y66 PolarHBondContact O-N 3.08Å; K64-T67 PolarHBondContact O-N 3.44Å; K64-T67 PolarHBondContact O-OG1 3.4Å; K64-E68 WeakPolarHBondContact CE-OE1 3.01Å; K64-E68 HydrophobicContact CG-CG 4.41Å; K64-E68 IonicContact NZ-OE1 2.82Å; K64-E68 WeakPolarHBondContact O-CB 3.41Å; K64-E68 VanDerWaalsContact O-CG 3.3Å; K64-E68 WeakPolarHBondContact O-CG 3.33Å; K64-E68 PolarHBondContact O-N 3Å
65Q94.9Very high96.6Very high67 Ų6754.7 Ų54.731%0.31330%0.296SS..Hα-helixtrans-61.1-46.3-179-70.3179.3-43.300112.5H61 A62 E68 C69 L249H61-Q65 VanDerWaalsContact NE2-CD 3.32Å; H61-Q65 PolarHBondContact NE2-NE2 3.42Å; H61-Q65 WeakPolarHBondContact O-CG 3.39Å; H61-Q65 PolarHBondContact O-N 3.27Å; A62-Q65 PolarHBondContact O-N 3.36Å; A62-Q65 VanDerWaalsContact O-N 3.16Å; Q65-E68 PolarHBondContact O-N 3.25Å; Q65-C69 PolarHBondContact O-N 2.97Å; Q65-C69 PolarHBondContact O-SG 3.16Å; Q65-C69 VanDerWaalsContact O-SG 3.4Å; Q65-L249 HydrophobicContact CB-CD1 3.64Å
66Y94.9Very high96.6Very high45 Ų4557.1 Ų57.118%0.17631%0.308CS..Hα-helixtrans-65.8-40.9-179.7-81.7-106.2000111.5A62 K64 C69 G70 R71 F73 F244 L249A62-Y66 HydrophobicContact CB-CD2 4.39Å; A62-Y66 HydrophobicContact CB-CE2 4.39Å; A62-Y66 WeakPolarHBondContact O-CD2 3.44Å; A62-Y66 PolarHBondContact O-N 3.2Å; K64-Y66 PolarHBondContact O-N 3.08Å; Y66-C69 CarbonylContact O-C 3.57Å; Y66-C69 PolarHBondContact O-N 3.03Å; Y66-G70 PolarHBondContact O-N 2.84Å; Y66-R71 CarbonylContact C-O 3.58Å; Y66-R71 HydrophobicContact CD1-CB 4.27Å; Y66-R71 WeakPolarHBondContact O-CA 3.48Å; Y66-R71 WeakPolarHBondContact O-CB 3.5Å; Y66-R71 PolarHBondContact O-N 2.71Å; Y66-F73 HydrophobicContact CD2-CD2 4.15Å; Y66-F73 HydrophobicContact CG-CD2 4.09Å; Y66-F244 HydrophobicContact CE2-CD1 4.48Å; Y66-F244 HydrophobicContact CE2-CE1 4.48Å; Y66-L249 HydrophobicContact CD1-CD2 3.85Å; Y66-L249 HydrophobicContact CD2-CD1 4.02Å; Y66-L249 HydrophobicContact CD2-CD2 3.99Å; Y66-L249 HydrophobicContact CE1-CD2 3.55Å; Y66-L249 HydrophobicContact CE2-CD1 4.26Å; Y66-L249 HydrophobicContact CE2-CD2 3.75Å; Y66-L249 HydrophobicContact CE2-CG 4.38Å; Y66-L249 HydrophobicContact CG-CD1 4.43Å; Y66-L249 HydrophobicContact CG-CD2 4.08Å
67T95.2Very high96.5Very high59 Ų5957.4 Ų57.436%0.36231%0.31SS..Hα-helixtrans-69.2-36.7178.253.30000113E63 K64 C69 G70 R71E63-T67 HydrophobicContact CG-CG2 4.34Å; E63-T67 WeakPolarHBondContact O-CB 3.07Å; E63-T67 VanDerWaalsContact O-CG2 3.26Å; E63-T67 WeakPolarHBondContact O-CG2 3.26Å; E63-T67 PolarHBondContact O-N 2.79Å; E63-T67 PolarHBondContact O-OG1 2.73Å; K64-T67 PolarHBondContact O-N 3.44Å; K64-T67 PolarHBondContact O-OG1 3.4Å; T67-C69 PolarHBondContact O-N 3.44Å; T67-G70 PolarHBondContact O-N 2.82Å; T67-R71 VanDerWaalsContact CA-O 3.31Å; T67-R71 WeakPolarHBondContact CA-O 3.45Å
68E94.4Very high96.3Very high133 Ų13355.7 Ų55.762%0.62130%0.299SS*.Hα-helixtrans-62.3-30.9172-76174.4169.400112.3K64 Q65 G70K64-E68 WeakPolarHBondContact CE-OE1 3.01Å; K64-E68 HydrophobicContact CG-CG 4.41Å; K64-E68 IonicContact NZ-OE1 2.82Å; K64-E68 WeakPolarHBondContact O-CB 3.41Å; K64-E68 VanDerWaalsContact O-CG 3.3Å; K64-E68 WeakPolarHBondContact O-CG 3.33Å; K64-E68 PolarHBondContact O-N 3Å; Q65-E68 PolarHBondContact O-N 3.25Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 3.3Å
69C93.2Very high96.2Very high78 Ų7857.3 Ų57.353%0.52731%0.306SS..THydrogen-bonded Turntrans-85.411.7173.1-63.90000114.2Q65 Y66 T67 R71Q65-C69 PolarHBondContact O-N 2.97Å; Q65-C69 PolarHBondContact O-SG 3.16Å; Q65-C69 VanDerWaalsContact O-SG 3.4Å; Y66-C69 CarbonylContact O-C 3.57Å; Y66-C69 PolarHBondContact O-N 3.03Å; T67-C69 PolarHBondContact O-N 3.44Å; C69-R71 VanDerWaalsContact C-N 3.29Å; C69-R71 PolarHBondContact O-N 3.5Å
70G95.2Very high96.1Very high74 Ų7458.1 Ų58.176%0.76331%0.312SS*.THydrogen-bonded Turntrans74.614.4178.100000114.8Y66 T67 E68Y66-G70 PolarHBondContact O-N 2.84Å; T67-G70 PolarHBondContact O-N 2.82Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 3.3Å
71R95.3Very high96Very high108 Ų10858 Ų5841%0.40831%0.309SS..  trans-97.8152.5175-55.1-178.6-179.1-165.41.5110.6Y66 T67 C69 T250Y66-R71 CarbonylContact C-O 3.58Å; Y66-R71 HydrophobicContact CD1-CB 4.27Å; Y66-R71 WeakPolarHBondContact O-CA 3.48Å; Y66-R71 WeakPolarHBondContact O-CB 3.5Å; Y66-R71 PolarHBondContact O-N 2.71Å; T67-R71 VanDerWaalsContact CA-O 3.31Å; T67-R71 WeakPolarHBondContact CA-O 3.45Å; C69-R71 VanDerWaalsContact C-N 3.29Å; C69-R71 PolarHBondContact O-N 3.5Å; R71-T250 PolarHBondContact NH2-O 3.04Å
72S96.4Very high96Very high93 Ų9354 Ų5465%0.6530%0.295SS*.  trans-86.5140.217357.80000111.6
73F97.5Very high96.1Very high29 Ų2954.8 Ų54.813%0.12730%0.299CS..  trans-136.9122.9171.6-168.6-75.4000108.7L59 A62 E63 Y66 I75 N91 F244L59-F73 HydrophobicContact CD2-CE1 4.37Å; L59-F73 HydrophobicContact CD2-CZ 4Å; A62-F73 HydrophobicContact CB-CE2 4Å; A62-F73 HydrophobicContact CB-CZ 4.15Å; E63-F73 HydrophobicContact CB-CB 4.33Å; E63-F73 HydrophobicContact CB-CD1 3.68Å; E63-F73 HydrophobicContact CB-CE1 4.26Å; E63-F73 HydrophobicContact CB-CG 4.14Å; E63-F73 HydrophobicContact CG-CB 4.2Å; E63-F73 HydrophobicContact CG-CD1 4.12Å; E63-F73 HydrophobicContact CG-CG 4.48Å; Y66-F73 HydrophobicContact CD2-CD2 4.15Å; Y66-F73 HydrophobicContact CG-CD2 4.09Å; F73-I75 HydrophobicContact CD1-CG1 4.45Å; F73-I75 HydrophobicContact CE1-CG1 4Å; F73-N91 VanDerWaalsContact O-CB 3.29Å; F73-N91 WeakPolarHBondContact O-CB 3.42Å; F73-N91 PolarHBondContact O-ND2 2.85Å; F73-F244 HydrophobicContact CE2-CE1 4.25Å; F73-F244 HydrophobicContact CE2-CZ 4.24Å; F73-F244 HydrophobicContact CZ-CZ 4.15Å
74F98.2Very high96.1Very high85 Ų8555.1 Ų55.137%0.37330%0.3SS..  trans-124.5141.6-177.1-71.4-84.4000110.8N91 I181F74-N91 HydrophobicContact CD1-CB 3.7Å; F74-N91 HydrophobicContact CE1-CB 4.01Å; F74-N91 HydrophobicContact CG-CB 4.4Å; F74-I181 HydrophobicContact CB-CD1 4.3Å; F74-I181 HydrophobicContact CB-CG2 3.81Å; F74-I181 HydrophobicContact CD1-CD1 3.66Å; F74-I181 HydrophobicContact CD1-CG1 4.22Å; F74-I181 HydrophobicContact CD2-CG1 4.25Å; F74-I181 HydrophobicContact CD2-CG2 3.91Å; F74-I181 HydrophobicContact CE1-CD1 4.08Å; F74-I181 HydrophobicContact CE1-CG1 4.41Å; F74-I181 HydrophobicContact CE2-CG1 4.41Å; F74-I181 HydrophobicContact CG-CD1 3.91Å; F74-I181 HydrophobicContact CG-CG1 4.15Å; F74-I181 HydrophobicContact CG-CG2 3.92Å
75I98.1Very high96.2Very high13 Ų1352.2 Ų52.27%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-109.5113.2171.5-60179.6000108.3L59 F73 C89 N91 V92 L93L59-I75 HydrophobicContact CB-CD1 3.94Å; L59-I75 HydrophobicContact CD1-CD1 4.38Å; F73-I75 HydrophobicContact CD1-CG1 4.45Å; F73-I75 HydrophobicContact CE1-CG1 4Å; I75-C89 HydrophobicContact CD1-CB 3.62Å; I75-C89 WeakPolarHBondContact CD1-SG 3.2Å; I75-N91 PolarHBondContact N-O 3.47Å; I75-V92 HydrophobicContact CB-CG2 4.4Å; I75-V92 CarbonylContact O-C 3.56Å; I75-V92 WeakPolarHBondContact O-CA 3.31Å; I75-L93 PolarHBondContact O-N 3.23Å
76I97.4Very high96.3Very high54 Ų5454.4 Ų54.428%0.27731%0.307SS..EExtended strand (participates in β ladder)trans-99.9114.3170.4-57.1177.8000107.5L93 L95 A178 I181 V182I76-L93 HydrophobicContact CG1-CB 4.36Å; I76-L93 HydrophobicContact CG1-CD2 4.42Å; I76-L95 HydrophobicContact CG2-CD1 3.46Å; I76-L95 VanDerWaalsContact CG2-CD1 3.46Å; I76-L95 HydrophobicContact CG2-CD2 3.75Å; I76-L95 HydrophobicContact CG2-CG 3.55Å; I76-A178 HydrophobicContact CD1-CB 4.26Å; I76-I181 HydrophobicContact CD1-CB 4.31Å; I76-I181 HydrophobicContact CD1-CG2 4.03Å; I76-V182 HydrophobicContact CD1-CG2 3.99Å
77T96.7Very high96.4Very high10 Ų1053 Ų536%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-119.6139.8-173.4-168.60000112.6N79 V92 L93 E94 L95T77-N79 VanDerWaalsContact C-N 3.34Å; T77-N79 WeakPolarHBondContact OG1-CB 3.44Å; T77-N79 PolarHBondContact OG1-N 3.44Å; T77-N79 VanDerWaalsContact OG1-N 3.15Å; T77-V92 HydrophobicContact CG2-CG1 3.97Å; T77-L93 PolarHBondContact N-O 3.4Å; T77-E94 HydrophobicContact CG2-CG 4.3Å; T77-L95 WeakPolarHBondContact O-CB 3.43Å; T77-L95 PolarHBondContact O-N 3.46Å
78Q94.8Very high96.5Very high57 Ų5752.5 Ų52.527%0.26631%0.311SS..  trans-86-12.8169.4-67.8176.673.800111.8H96 V200Q78-H96 PolarHBondContact O-ND1 3.18Å; Q78-V200 HydrophobicContact CG-CB 4.27Å; Q78-V200 HydrophobicContact CG-CG1 3.84Å; Q78-V200 HydrophobicContact CG-CG2 4.1Å
79N95Very high96.7Very high47 Ų4746.5 Ų46.525%0.25128%0.284SS..  trans-75.7147.6-177.5-61.2-10.8000110.2M1 T77M1-N79 PolarHBondContact SD-ND2 3.26Å; T77-N79 VanDerWaalsContact C-N 3.34Å; T77-N79 WeakPolarHBondContact OG1-CB 3.44Å; T77-N79 PolarHBondContact OG1-N 3.44Å; T77-N79 VanDerWaalsContact OG1-N 3.15Å
80V96Very high96.9Very high33 Ų3348.4 Ų48.420%0.229%0.293CS..  trans-110.59.3179.6-64.60000112.4H96 L99 V163V80-H96 HydrophobicContact CG1-CB 3.82Å; V80-H96 VanDerWaalsContact CG1-O 3.27Å; V80-H96 WeakPolarHBondContact CG1-O 3.39Å; V80-L99 HydrophobicContact CB-CG 4.03Å; V80-L99 HydrophobicContact CG2-CD1 3.89Å; V80-L99 HydrophobicContact CG2-CD2 4.07Å; V80-L99 HydrophobicContact CG2-CG 3.6Å; V80-L99 WeakPolarHBondContact O-CB 3.26Å; V80-L99 VanDerWaalsContact O-CG 3.29Å; V80-L99 WeakPolarHBondContact O-CG 3.24Å; V80-L99 PolarHBondContact O-N 2.82Å; V80-V163 HydrophobicContact CB-CG1 4.17Å; V80-V163 HydrophobicContact CG1-CB 4.42Å; V80-V163 HydrophobicContact CG1-CG1 4.01Å
81D96.7Very high97Very high11 Ų1147.7 Ų47.76%0.05927%0.271CS..SBendtrans-84.1-15.6-171.656.340.2000114.7F4 V47 L83F4-D81 HydrophobicContact CE2-CB 4.05Å; F4-D81 HydrophobicContact CZ-CB 4.03Å; V47-D81 HydrophobicContact CG1-CB 3.89Å; V47-D81 VanDerWaalsContact CG1-O 3.26Å; V47-D81 WeakPolarHBondContact CG1-O 3.28Å; V47-D81 HydrophobicContact CG2-CB 4Å; D81-L83 HydrophobicContact CB-CD1 4.36Å; D81-L83 HydrophobicContact CB-CG 4.04Å; D81-L83 PolarHBondContact O-N 2.95Å; D81-L83 VanDerWaalsContact OD1-CB 3.31Å; D81-L83 WeakPolarHBondContact OD1-CB 3.32Å; D81-L83 WeakPolarHBondContact OD1-CG 3.41Å; D81-L83 PolarHBondContact OD1-N 3.35Å
82G96.7Very high97.2Very high14 Ų1444.2 Ų44.214%0.14426%0.262CS..  trans68.512.5-176.900000114.7H84 A85 K86G82-H84 VanDerWaalsContact C-N 3.32Å; G82-H84 PolarHBondContact O-N 3.5Å; G82-A85 PolarHBondContact O-N 3.46Å; G82-K86 WeakPolarHBondContact O-CB 3.41Å; G82-K86 PolarHBondContact O-N 3.06Å
83L97.8Very high97.2Very high17 Ų1740.3 Ų40.39%0.08923%0.234CC..Hα-helixtrans-68.4-28.4-176.3-68.5179.1000113.2D81 K86 A87D81-L83 HydrophobicContact CB-CD1 4.36Å; D81-L83 HydrophobicContact CB-CG 4.04Å; D81-L83 PolarHBondContact O-N 2.95Å; D81-L83 VanDerWaalsContact OD1-CB 3.31Å; D81-L83 WeakPolarHBondContact OD1-CB 3.32Å; D81-L83 WeakPolarHBondContact OD1-CG 3.41Å; D81-L83 PolarHBondContact OD1-N 3.35Å; L83-K86 HydrophobicContact CD2-CD 4.18Å; L83-K86 PolarHBondContact O-N 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 3.4Å
84H98.2Very high97.2Very high13 Ų1340.4 Ų40.46%0.0624%0.235CC..Hα-helixtrans-62.9-50172.4-70.9-75.3000111.6H56 G82 K86 A87 G88 C89 V92H56-H84 AromaticContact CD2-CE1 3.78Å; H56-H84 AromaticContact CD2-ND1 3.74Å; G82-H84 VanDerWaalsContact C-N 3.32Å; G82-H84 PolarHBondContact O-N 3.5Å; H84-K86 VanDerWaalsContact C-N 3.32Å; H84-K86 PolarHBondContact O-N 3.44Å; H84-A87 WeakPolarHBondContact O-CB 3.5Å; H84-A87 PolarHBondContact O-N 3.02Å; H84-A87 VanDerWaalsContact O-N 3.08Å; H84-G88 PolarHBondContact O-N 3.21Å; H84-C89 HydrophobicContact CB-CB 4.3Å; H84-C89 VanDerWaalsContact O-CB 3.29Å; H84-C89 WeakPolarHBondContact O-CB 3.26Å; H84-C89 PolarHBondContact O-N 3.36Å; H84-C89 VanDerWaalsContact O-N 3.09Å; H84-C89 PolarHBondContact O-SG 2.84Å; H84-V92 HydrophobicContact CB-CG1 4.17Å; H84-V92 HydrophobicContact CB-CG2 3.99Å
85A97Very high97.1Very high57 Ų5736.5 Ų36.547%0.47122%0.218SC..Hα-helixtrans-62.2-41.3175.800000111.2G82 A87 G88G82-A85 PolarHBondContact O-N 3.46Å; A85-A87 PolarHBondContact O-N 3.03Å; A85-G88 PolarHBondContact O-N 2.76Å
86K96.7Very high97Very high112 Ų11237.6 Ų37.649%0.48722%0.222SC..Hα-helixtrans-62.6-26.5174.6-171175.3178.7-179.70113.1R50 P52 G82 L83 H84 G88R50-K86 PolarHBondContact O-NZ 3.04Å; P52-K86 HydrophobicContact CG-CB 3.97Å; P52-K86 HydrophobicContact CG-CD 4.3Å; P52-K86 HydrophobicContact CG-CG 3.88Å; G82-K86 WeakPolarHBondContact O-CB 3.41Å; G82-K86 PolarHBondContact O-N 3.06Å; L83-K86 HydrophobicContact CD2-CD 4.18Å; L83-K86 PolarHBondContact O-N 3.29Å; H84-K86 VanDerWaalsContact C-N 3.32Å; H84-K86 PolarHBondContact O-N 3.44Å; K86-G88 VanDerWaalsContact C-N 3.26Å
87A98.1Very high97Very high16 Ų1635.4 Ų35.413%0.13221%0.213CC..THydrogen-bonded Turntrans-77.2-10.3174.500000113.6P52 H56 L57 A60 L83 H84 A85P52-A87 HydrophobicContact CB-CB 3.69Å; P52-A87 HydrophobicContact CG-CB 3.94Å; H56-A87 HydrophobicContact CB-CB 3.68Å; L57-A87 HydrophobicContact CD2-CB 4.3Å; A60-A87 HydrophobicContact CB-CB 4.28Å; A60-A87 VanDerWaalsContact CB-O 3.24Å; A60-A87 WeakPolarHBondContact CB-O 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 3.4Å; H84-A87 WeakPolarHBondContact O-CB 3.5Å; H84-A87 PolarHBondContact O-N 3.02Å; H84-A87 VanDerWaalsContact O-N 3.08Å; A85-A87 PolarHBondContact O-N 3.03Å
88G98Very high97Very high48 Ų4835.6 Ų35.650%0.49521%0.214SC..THydrogen-bonded Turntrans99.27.9-17600000114.5H84 A85 K86H84-G88 PolarHBondContact O-N 3.21Å; A85-G88 PolarHBondContact O-N 2.76Å; K86-G88 VanDerWaalsContact C-N 3.26Å
89C98.2Very high97.1Very high7 Ų733.2 Ų33.25%0.04720%0.203CC..  trans-69.4135.4173.6-51.60000110E63 I75 H84 V92E63-C89 WeakPolarHBondContact OE2-CA 3.18Å; E63-C89 WeakPolarHBondContact OE2-CB 2.96Å; I75-C89 HydrophobicContact CD1-CB 3.62Å; I75-C89 WeakPolarHBondContact CD1-SG 3.2Å; H84-C89 HydrophobicContact CB-CB 4.3Å; H84-C89 VanDerWaalsContact O-CB 3.29Å; H84-C89 WeakPolarHBondContact O-CB 3.26Å; H84-C89 PolarHBondContact O-N 3.36Å; H84-C89 VanDerWaalsContact O-N 3.09Å; H84-C89 PolarHBondContact O-SG 2.84Å; C89-V92 HydrophobicContact CB-CG2 3.48Å; C89-V92 VanDerWaalsContact CB-CG2 3.48Å
90V97.6Very high97.2Very high119 Ų11931.8 Ų31.872%0.72119%0.194SC*.  trans-103.1-47.5-174.6179.30000111E63 V92E63-V90 PolarHBondContact OE1-N 3.44Å; E63-V90 PolarHBondContact OE2-N 3.09Å; V90-V92 PolarHBondContact O-N 3.49Å
91N97.4Very high97.3Very high58 Ų5833 Ų3331%0.3120%0.197SC..SBendtrans-86.358-176.5-65.7-55.2000111.7E63 F73 F74 I75E63-N91 WeakPolarHBondContact OE1-CB 3.32Å; E63-N91 VanDerWaalsContact OE1-CG 3.27Å; E63-N91 PolarHBondContact OE1-N 2.91Å; E63-N91 PolarHBondContact OE1-ND2 3.27Å; F73-N91 VanDerWaalsContact O-CB 3.29Å; F73-N91 WeakPolarHBondContact O-CB 3.42Å; F73-N91 PolarHBondContact O-ND2 2.85Å; F74-N91 HydrophobicContact CD1-CB 3.7Å; F74-N91 HydrophobicContact CE1-CB 4.01Å; F74-N91 HydrophobicContact CG-CB 4.4Å; I75-N91 PolarHBondContact N-O 3.47Å
92V98Very high97.4Very high36 Ų3632.7 Ų32.722%0.21820%0.196CC..EExtended strand (participates in β ladder)trans-98.6127.8-179.1-172.40000111.1I75 T77 H84 C89 V90 E94I75-V92 HydrophobicContact CB-CG2 4.4Å; I75-V92 CarbonylContact O-C 3.56Å; I75-V92 WeakPolarHBondContact O-CA 3.31Å; T77-V92 HydrophobicContact CG2-CG1 3.97Å; H84-V92 HydrophobicContact CB-CG1 4.17Å; H84-V92 HydrophobicContact CB-CG2 3.99Å; C89-V92 HydrophobicContact CB-CG2 3.48Å; C89-V92 VanDerWaalsContact CB-CG2 3.48Å; V90-V92 PolarHBondContact O-N 3.49Å; V92-E94 HydrophobicContact CG1-CG 4.1Å
93L97.5Very high97.5Very high11 Ų1134 Ų346%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-110.6104.9171.7-166.767.1000109.9I75 I76 T77 L95 I174 K177 A178 I181I75-L93 PolarHBondContact O-N 3.23Å; I76-L93 HydrophobicContact CG1-CB 4.36Å; I76-L93 HydrophobicContact CG1-CD2 4.42Å; T77-L93 PolarHBondContact N-O 3.4Å; L93-L95 HydrophobicContact CD2-CD2 4.15Å; L93-L95 HydrophobicContact CG-CD2 4.27Å; L93-L95 PolarHBondContact O-N 3.24Å; L93-I174 HydrophobicContact CD1-CD1 3.82Å; L93-I174 HydrophobicContact CD1-CG2 3.92Å; L93-I174 HydrophobicContact CD2-CG2 4.29Å; L93-I174 HydrophobicContact CG-CG2 3.93Å; L93-K177 HydrophobicContact CD1-CD 3.95Å; L93-K177 HydrophobicContact CD1-CG 4.36Å; L93-K177 HydrophobicContact CD2-CB 4.41Å; L93-K177 HydrophobicContact CD2-CG 4.36Å; L93-A178 HydrophobicContact CD2-CB 3.56Å; L93-I181 HydrophobicContact CD2-CD1 4.31Å
94E97.4Very high97.5Very high31 Ų3133.1 Ų33.115%0.14519%0.192CC..EExtended strand (participates in β ladder)trans-85.493-178.4-56.3179129.400110.3T77 V92 H96 G97 N98 K101T77-E94 HydrophobicContact CG2-CG 4.3Å; V92-E94 HydrophobicContact CG1-CG 4.1Å; E94-H96 VanDerWaalsContact C-N 3.35Å; E94-H96 PolarHBondContact O-N 3.38Å; E94-G97 PolarHBondContact O-N 3.33Å; E94-N98 PolarHBondContact OE1-ND2 2.89Å; E94-N98 PolarHBondContact OE2-ND2 3.07Å; E94-K101 IonicContact OE2-NZ 3Å; E94-K101 PolarHBondContact OE2-NZ 3.04Å
95L96.3Very high97.5Very high3 Ų336.1 Ų36.12%0.01621%0.207CC..THydrogen-bonded Turntrans-61.9-41.6-173.3-66.4-173.3000112.5I76 T77 L93 L170 I174 A178 V200 F203I76-L95 HydrophobicContact CG2-CD1 3.46Å; I76-L95 VanDerWaalsContact CG2-CD1 3.46Å; I76-L95 HydrophobicContact CG2-CD2 3.75Å; I76-L95 HydrophobicContact CG2-CG 3.55Å; T77-L95 WeakPolarHBondContact O-CB 3.43Å; T77-L95 PolarHBondContact O-N 3.46Å; L93-L95 HydrophobicContact CD2-CD2 4.15Å; L93-L95 HydrophobicContact CG-CD2 4.27Å; L93-L95 PolarHBondContact O-N 3.24Å; L95-L170 HydrophobicContact CB-CD2 3.68Å; L95-L170 HydrophobicContact CD2-CD2 4.38Å; L95-L170 HydrophobicContact CG-CD2 4.47Å; L95-L170 WeakPolarHBondContact O-CD2 3.42Å; L95-I174 HydrophobicContact CD2-CG2 3.75Å; L95-A178 HydrophobicContact CD2-CB 4Å; L95-V200 HydrophobicContact CD1-CB 4.17Å; L95-V200 HydrophobicContact CD1-CG1 3.65Å; L95-V200 HydrophobicContact CD1-CG2 3.45Å; L95-V200 VanDerWaalsContact CD1-CG2 3.45Å; L95-F203 HydrophobicContact CD1-CE2 4.16Å
96H95.5Very high97.5Very high35 Ų3539.9 Ų39.916%0.16222%0.216CC..THydrogen-bonded Turntrans-97.918.3-176.4-58.1150.3000113.4Q78 V80 E94 V163 V164Q78-H96 PolarHBondContact O-ND1 3.18Å; V80-H96 HydrophobicContact CG1-CB 3.82Å; V80-H96 VanDerWaalsContact CG1-O 3.27Å; V80-H96 WeakPolarHBondContact CG1-O 3.39Å; E94-H96 VanDerWaalsContact C-N 3.35Å; E94-H96 PolarHBondContact O-N 3.38Å; H96-V163 CarbonylContact O-C 3.58Å; H96-V163 WeakPolarHBondContact O-CA 3.17Å; H96-V163 WeakPolarHBondContact O-CB 3.29Å; H96-V164 HydrophobicContact CB-CB 4.39Å; H96-V164 PolarHBondContact O-N 3.35Å
97G96.9Very high97.5Very high8 Ų836.1 Ų36.18%0.08220%0.203CC..EExtended strand (participates in β ladder)trans79.3-154-177.900000113.4E94 H162E94-G97 PolarHBondContact O-N 3.33Å; G97-H162 CarbonylContact C-O 3.4Å; G97-H162 WeakPolarHBondContact CA-O 3.44Å
98N97.5Very high97.5Very high15 Ų1540.2 Ų40.28%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-149.7132.8-172.7-173.5-53.8000111.6E94 Y100 K101 H162E94-N98 PolarHBondContact OE1-ND2 2.89Å; E94-N98 PolarHBondContact OE2-ND2 3.07Å; N98-Y100 PolarHBondContact O-N 2.93Å; N98-Y100 VanDerWaalsContact O-N 3.14Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.39Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.44Å; N98-Y100 PolarHBondContact OD1-N 2.78Å; N98-K101 HydrophobicContact CB-CB 4.32Å; N98-K101 HydrophobicContact CB-CD 3.9Å; N98-K101 HydrophobicContact CB-CG 4.03Å; N98-K101 PolarHBondContact O-N 2.92Å; N98-H162 PolarHBondContact N-O 3.25Å
99L97Very high97.5Very high7 Ų739.7 Ų39.74%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-59.6-23.7179.1-73.5171.2000113.8F4 Y40 C43 R44 V47 V80 V163F4-L99 HydrophobicContact CZ-CD1 4.2Å; Y40-L99 HydrophobicContact CD1-CD2 3.46Å; Y40-L99 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L99 HydrophobicContact CE1-CD2 3.76Å; C43-L99 HydrophobicContact CB-CD1 4.27Å; C43-L99 HydrophobicContact CB-CD2 4.18Å; R44-L99 HydrophobicContact CG-CB 4.23Å; R44-L99 WeakPolarHBondContact CG-O 3.36Å; R44-L99 PolarHBondContact NH1-O 3.15Å; V47-L99 HydrophobicContact CG2-CD1 3.78Å; V80-L99 HydrophobicContact CB-CG 4.03Å; V80-L99 HydrophobicContact CG2-CD1 3.89Å; V80-L99 HydrophobicContact CG2-CD2 4.07Å; V80-L99 HydrophobicContact CG2-CG 3.6Å; V80-L99 WeakPolarHBondContact O-CB 3.26Å; V80-L99 VanDerWaalsContact O-CG 3.29Å; V80-L99 WeakPolarHBondContact O-CG 3.24Å; V80-L99 PolarHBondContact O-N 2.82Å; L99-V163 HydrophobicContact CD2-CG1 4.49Å
100Y97.3Very high97.4Very high17 Ų1742.8 Ų42.87%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-96.916176.3-57-72.7000113.2R44 V47 R48 N98 V112 N113 F114R44-Y100 HydrophobicContact CB-CE1 4.28Å; R44-Y100 HydrophobicContact CG-CE1 4.38Å; R44-Y100 PolarHBondContact O-OH 3.26Å; V47-Y100 HydrophobicContact CB-CE2 4.41Å; V47-Y100 WeakPolarHBondContact CB-OH 3.48Å; V47-Y100 HydrophobicContact CG1-CE2 3.76Å; V47-Y100 WeakPolarHBondContact CG1-OH 3.38Å; R48-Y100 WeakPolarHBondContact CA-OH 3.3Å; R48-Y100 PolarHBondContact N-OH 3.26Å; R48-Y100 VanDerWaalsContact N-OH 3.07Å; N98-Y100 PolarHBondContact O-N 2.93Å; N98-Y100 VanDerWaalsContact O-N 3.14Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.39Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.44Å; N98-Y100 PolarHBondContact OD1-N 2.78Å; Y100-V112 CarbonylContact O-C 3.56Å; Y100-V112 VanDerWaalsContact O-CA 3.25Å; Y100-V112 WeakPolarHBondContact O-CA 2.9Å; Y100-N113 PolarHBondContact O-N 3.01Å; Y100-F114 VanDerWaalsContact CB-CE1 3.42Å; Y100-F114 AromaticContact CD1-CD1 3.42Å; Y100-F114 HydrophobicContact CD1-CD1 3.42Å; Y100-F114 VanDerWaalsContact CD1-CD1 3.42Å; Y100-F114 AromaticContact CD1-CE1 3.74Å; Y100-F114 HydrophobicContact CD1-CE1 3.74Å; Y100-F114 HydrophobicContact CD1-CG 4.47Å; Y100-F114 HydrophobicContact CD2-CD1 4.32Å; Y100-F114 AromaticContact CD2-CE1 3.79Å; Y100-F114 HydrophobicContact CD2-CE1 3.79Å; Y100-F114 HydrophobicContact CE1-CD1 4.06Å; Y100-F114 HydrophobicContact CE1-CE1 4.45Å; Y100-F114 HydrophobicContact CE2-CE1 4.46Å; Y100-F114 AromaticContact CG-CD1 3.58Å; Y100-F114 HydrophobicContact CG-CD1 3.58Å; Y100-F114 AromaticContact CG-CE1 3.36Å; Y100-F114 HydrophobicContact CG-CE1 3.36Å; Y100-F114 HydrophobicContact CG-CZ 4.41Å
101K98.3Very high97.4Very high57 Ų5742.3 Ų42.325%0.24821%0.209CC..EExtended strand (participates in β ladder)trans-117.7147.8167.4-67.6174.4-171.1156.50110.6E94 N98 I110 R111 V112 H162E94-K101 IonicContact OE2-NZ 3Å; E94-K101 PolarHBondContact OE2-NZ 3.04Å; N98-K101 HydrophobicContact CB-CB 4.32Å; N98-K101 HydrophobicContact CB-CD 3.9Å; N98-K101 HydrophobicContact CB-CG 4.03Å; N98-K101 PolarHBondContact O-N 2.92Å; K101-I110 HydrophobicContact CB-CG2 4.42Å; K101-R111 CarbonylContact C-O 3.59Å; K101-R111 WeakPolarHBondContact CA-O 2.96Å; K101-V112 HydrophobicContact CG-CG2 4.07Å; K101-H162 HydrophobicContact CB-CB 3.7Å; K101-H162 WeakPolarHBondContact O-CB 3.48Å; K101-H162 PolarHBondContact O-N 3.38Å
102T98.5Very high97.4Very high6 Ų643.7 Ų43.74%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-123.2143.5174.457.90000110.6W37 I110 R111 N113 I118 L159 R160W37-T102 HydrophobicContact CH2-CG2 3.97Å; T102-I110 VanDerWaalsContact O-CA 3.26Å; T102-I110 WeakPolarHBondContact O-CA 3.3Å; T102-R111 PolarHBondContact N-O 3.04Å; T102-R111 PolarHBondContact O-N 3.34Å; T102-N113 HydrophobicContact CG2-CB 4.3Å; T102-I118 HydrophobicContact CG2-CD1 3.7Å; T102-L159 HydrophobicContact CG2-CD1 4.34Å; T102-R160 CarbonylContact C-O 3.51Å; T102-R160 WeakPolarHBondContact CA-O 3.46Å
103R98.3Very high97.4Very high40 Ų4043.2 Ų43.215%0.15122%0.216CC..EExtended strand (participates in β ladder)trans-112.7130172.8177.3-174.3-70-71.11.2109.3D109 I110 L159 R160 H162 E171R103-D109 CarbonylContact C-O 3.55Å; R103-D109 WeakPolarHBondContact CA-O 3.3Å; R103-I110 HydrophobicContact CB-CG1 4.48Å; R103-I110 HydrophobicContact CG-CG1 4.46Å; R103-I110 VanDerWaalsContact NH2-CD1 3.34Å; R103-L159 WeakPolarHBondContact O-CA 3.34Å; R103-R160 HydrophobicContact CB-CG 4.14Å; R103-R160 PolarHBondContact N-O 3.12Å; R103-R160 WeakPolarHBondContact O-CG 3.22Å; R103-R160 PolarHBondContact O-N 2.74Å; R103-H162 HydrophobicContact CB-CB 4.18Å; R103-H162 PolarHBondContact NH2-CE1 3.28Å; R103-E171 IonicContact CZ-OE1 3.6Å; R103-E171 IonicContact NH2-OE1 2.58Å; R103-E171 PolarHBondContact NH2-OE1 2.87Å; R103-E171 IonicContact NH2-OE2 3.9Å
104C98.5Very high97.4Very high0 Ų048.5 Ų48.50%024%0.238CC..EExtended strand (participates in β ladder)trans-74.9131.5170.1-176.20000111.1E106 C107 N108 D109 C146 L159C104-E106 VanDerWaalsContact C-N 3.3Å; C104-E106 PolarHBondContact O-N 2.97Å; C104-E106 PolarHBondContact SG-N 3.42Å; C104-E106 VanDerWaalsContact SG-N 3.37Å; C104-C107 PolarHBondContact SG-N 3.05Å; C104-N108 VanDerWaalsContact O-CA 3.26Å; C104-N108 WeakPolarHBondContact O-CA 2.99Å; C104-N108 PolarHBondContact O-N 3.37Å; C104-N108 VanDerWaalsContact O-N 3.1Å; C104-D109 HydrophobicContact CB-CB 4.33Å; C104-D109 PolarHBondContact N-O 3.07Å; C104-C146 HydrophobicContact CB-CB 3.86Å; C104-C146 WeakPolarHBondContact SG-CB 3.22Å; C104-C146 VanDerWaalsContact SG-SG 3.69Å; C104-L159 HydrophobicContact CB-CD2 3.95Å
105L97.3Very high97.3Very high75 Ų7551.4 Ų51.439%0.39326%0.255SS..THydrogen-bonded Turntrans-74.1-18.5176.4-67.1-176.3000114.2F29 L158 R160F29-L105 HydrophobicContact CD1-CD1 4.39Å; F29-L105 HydrophobicContact CE1-CD1 3.66Å; L105-L158 HydrophobicContact CD1-CB 4.4Å; L105-L158 HydrophobicContact CD1-CD2 4.3Å; L105-L158 HydrophobicContact CD1-CG 4.43Å; L105-L158 PolarHBondContact N-O 2.82Å; L105-R160 HydrophobicContact CD2-CB 4.48Å; L105-R160 HydrophobicContact CD2-CG 3.82Å; L105-R160 HydrophobicContact CG-CG 4.36Å
106E97.2Very high97.1Very high137 Ų13757.8 Ų57.864%0.6428%0.283SS*.THydrogen-bonded Turntrans-95-47.4-178.2-57.1-61156.200112C104 G157C104-E106 VanDerWaalsContact C-N 3.3Å; C104-E106 PolarHBondContact O-N 2.97Å; C104-E106 PolarHBondContact SG-N 3.42Å; C104-E106 VanDerWaalsContact SG-N 3.37Å; E106-G157 VanDerWaalsContact CG-CA 3.41Å
107C97.3Very high97.1Very high32 Ų3257.7 Ų57.722%0.21629%0.285CS..THydrogen-bonded Turntrans-113.73.3-172.971.50000115.1C104 D109 C146 I150C104-C107 PolarHBondContact SG-N 3.05Å; C107-D109 PolarHBondContact O-N 3.31Å; C107-D109 VanDerWaalsContact SG-CB 3.57Å; C107-C146 VanDerWaalsContact SG-SG 3.66Å; C107-I150 HydrophobicContact CB-CD1 3.28Å
108N97.1Very high97Very high103 Ų10358 Ų5855%0.55128%0.284SS*.  trans59.98.2-179.8-65.2-58.2000116.3C104 I110C104-N108 VanDerWaalsContact O-CA 3.26Å; C104-N108 WeakPolarHBondContact O-CA 2.99Å; C104-N108 PolarHBondContact O-N 3.37Å; C104-N108 VanDerWaalsContact O-N 3.1Å; N108-I110 PolarHBondContact O-N 2.93Å
109D97.7Very high97Very high37 Ų3758.4 Ų58.420%0.19829%0.288CS..  trans-57.6128.7175.2-17658.6000110.8R103 C104 C107 R111 N148R103-D109 CarbonylContact C-O 3.55Å; R103-D109 WeakPolarHBondContact CA-O 3.3Å; C104-D109 HydrophobicContact CB-CB 4.33Å; C104-D109 PolarHBondContact N-O 3.07Å; C107-D109 PolarHBondContact O-N 3.31Å; C107-D109 VanDerWaalsContact SG-CB 3.57Å; D109-R111 IonicContact OD1-NE 3.68Å; D109-R111 WeakPolarHBondContact OD2-CD 2.96Å; D109-R111 WeakPolarHBondContact OD2-CG 3.32Å; D109-R111 IonicContact OD2-CZ 3.46Å; D109-R111 IonicContact OD2-NE 2.69Å; D109-R111 PolarHBondContact OD2-NE 2.98Å; D109-R111 IonicContact OD2-NH2 3.63Å; D109-N148 HydrophobicContact CB-CB 3.96Å; D109-N148 WeakPolarHBondContact OD2-CB 3.28Å
110I98Very high96.9Very high72 Ų7262.3 Ų62.337%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-112.4123.1178.4-56.4167.4000108K101 T102 R103 N108 H162K101-I110 HydrophobicContact CB-CG2 4.42Å; T102-I110 VanDerWaalsContact O-CA 3.26Å; T102-I110 WeakPolarHBondContact O-CA 3.3Å; R103-I110 HydrophobicContact CB-CG1 4.48Å; R103-I110 HydrophobicContact CG-CG1 4.46Å; R103-I110 VanDerWaalsContact NH2-CD1 3.34Å; N108-I110 PolarHBondContact O-N 2.93Å; I110-H162 HydrophobicContact CG2-CB 4.39Å
111R97.3Very high96.7Very high108 Ų10862.7 Ų62.741%0.40833%0.328SS..EExtended strand (participates in β ladder)trans-134.1147.6178.4-67.6-172.6-172.8-166-2.8112.3K101 T102 D109 N148K101-R111 CarbonylContact C-O 3.59Å; K101-R111 WeakPolarHBondContact CA-O 2.96Å; T102-R111 PolarHBondContact N-O 3.04Å; T102-R111 PolarHBondContact O-N 3.34Å; D109-R111 IonicContact OD1-NE 3.68Å; D109-R111 WeakPolarHBondContact OD2-CD 2.96Å; D109-R111 WeakPolarHBondContact OD2-CG 3.32Å; D109-R111 IonicContact OD2-CZ 3.46Å; D109-R111 IonicContact OD2-NE 2.69Å; D109-R111 PolarHBondContact OD2-NE 2.98Å; D109-R111 IonicContact OD2-NH2 3.63Å; R111-N148 PolarHBondContact NH2-OD1 3.48Å
112V97.6Very high96.5Very high88 Ų8860 Ų6053%0.53332%0.317SS..EExtended strand (participates in β ladder)trans-70.5134.1165.4179.40000108.7Y100 K101 F114Y100-V112 CarbonylContact O-C 3.56Å; Y100-V112 VanDerWaalsContact O-CA 3.25Å; Y100-V112 WeakPolarHBondContact O-CA 2.9Å; K101-V112 HydrophobicContact CG-CG2 4.07Å; V112-F114 HydrophobicContact CG1-CD2 3.59Å; V112-F114 HydrophobicContact CG1-CE2 3.15Å; V112-F114 HydrophobicContact CG1-CZ 3.75Å
113N97.7Very high96.1Very high26 Ų2666 Ų6614%0.13935%0.348CS..  trans-139.2115.6175.9-177-62.3000110.1R44 Y100 T102 D115 I118R44-N113 PolarHBondContact NH1-O 3.49Å; R44-N113 PolarHBondContact NH2-O 2.9Å; R44-N113 PolarHBondContact NH2-OD1 3.16Å; R44-N113 VanDerWaalsContact NH2-OD1 3.12Å; Y100-N113 PolarHBondContact O-N 3.01Å; T102-N113 HydrophobicContact CG2-CB 4.3Å; N113-D115 PolarHBondContact ND2-OD2 2.68Å; N113-D115 WeakPolarHBondContact OD1-CB 3.26Å; N113-D115 PolarHBondContact OD1-N 3.05Å; N113-I118 HydrophobicContact CB-CD1 4.34Å
114F96.2Very high95.4Very high121 Ų12166.4 Ų66.453%0.53137%0.365SS..  trans-107.913.5175.3-66.9-70.8000113.2R48 Y100 V112R48-F114 PolarHBondContact NH1-O 3.18Å; R48-F114 PolarHBondContact NH2-O 3.37Å; Y100-F114 VanDerWaalsContact CB-CE1 3.42Å; Y100-F114 AromaticContact CD1-CD1 3.42Å; Y100-F114 HydrophobicContact CD1-CD1 3.42Å; Y100-F114 VanDerWaalsContact CD1-CD1 3.42Å; Y100-F114 AromaticContact CD1-CE1 3.74Å; Y100-F114 HydrophobicContact CD1-CE1 3.74Å; Y100-F114 HydrophobicContact CD1-CG 4.47Å; Y100-F114 HydrophobicContact CD2-CD1 4.32Å; Y100-F114 AromaticContact CD2-CE1 3.79Å; Y100-F114 HydrophobicContact CD2-CE1 3.79Å; Y100-F114 HydrophobicContact CE1-CD1 4.06Å; Y100-F114 HydrophobicContact CE1-CE1 4.45Å; Y100-F114 HydrophobicContact CE2-CE1 4.46Å; Y100-F114 AromaticContact CG-CD1 3.58Å; Y100-F114 HydrophobicContact CG-CD1 3.58Å; Y100-F114 AromaticContact CG-CE1 3.36Å; Y100-F114 HydrophobicContact CG-CE1 3.36Å; Y100-F114 HydrophobicContact CG-CZ 4.41Å; V112-F114 HydrophobicContact CG1-CD2 3.59Å; V112-F114 HydrophobicContact CG1-CE2 3.15Å; V112-F114 HydrophobicContact CG1-CZ 3.75Å
115D96.5Very high94.8Very high93 Ų9368.4 Ų68.450%0.49737%0.372SS..  trans-61.9147.6-179.4-60.2-26.4000111.1R44 R48 N113 P117R44-D115 PolarHBondContact NH2-O 3.12Å; R48-D115 PolarHBondContact NH2-O 2.92Å; N113-D115 PolarHBondContact ND2-OD2 2.68Å; N113-D115 WeakPolarHBondContact OD1-CB 3.26Å; N113-D115 PolarHBondContact OD1-N 3.05Å; D115-P117 CarbonylContact C-O 3.5Å
116K92.3Very high93.9Very high137 Ų13764.8 Ų64.860%0.59635%0.354SS*.SBendtrans-138109.5-179.4173.5170.3172153.40110.1E45E45-K116 WeakPolarHBondContact OE1-CG 3.42Å; E45-K116 WeakPolarHBondContact OE2-CD 3.21Å; E45-K116 WeakPolarHBondContact OE2-CE 3.41Å; E45-K116 IonicContact OE2-NZ 3.82Å; E45-K116 PolarHBondContact OE2-NZ 2.92Å
117P94Very high92.9Very high32 Ų3259.7 Ų59.721%0.20833%0.333CS..SBendcis-64.7166.2-14.533.2-37.9000111.1D115 C119 L122 L123D115-P117 CarbonylContact C-O 3.5Å; P117-C119 WeakPolarHBondContact CB-O 3.49Å; P117-C119 WeakPolarHBondContact CG-O 3.42Å; P117-C119 PolarHBondContact O-N 2.78Å; P117-L122 HydrophobicContact CB-CB 4.3Å; P117-L123 HydrophobicContact CG-CB 4.11Å; P117-L123 HydrophobicContact CG-CD1 4.26Å
118I95.6Very high91.4Very high14 Ų1459.2 Ų59.27%0.07233%0.329CS..SBendtrans-67.5-24.8177.8-172165.8000112.9W37 T102 N113 L122 P144W37-I118 HydrophobicContact CE3-CG2 4.4Å; W37-I118 HydrophobicContact CH2-CD1 3.91Å; W37-I118 HydrophobicContact CZ3-CD1 3.87Å; W37-I118 HydrophobicContact CZ3-CG2 4.31Å; T102-I118 HydrophobicContact CG2-CD1 3.7Å; N113-I118 HydrophobicContact CB-CD1 4.34Å; I118-L122 HydrophobicContact CG2-CD1 3.4Å; I118-P144 HydrophobicContact CD1-CG 4.47Å; I118-P144 HydrophobicContact CG1-CB 4.38Å; I118-P144 HydrophobicContact CG1-CG 4.19Å; I118-P144 HydrophobicContact CG2-CG 3.76Å
119C96.4Very high89.9Confident24 Ų2460.6 Ų60.616%0.16234%0.335CS..SBendtrans-148158.6163.471.10000109.6P117 A121 L122 Q142 P144P117-C119 WeakPolarHBondContact CB-O 3.49Å; P117-C119 WeakPolarHBondContact CG-O 3.42Å; P117-C119 PolarHBondContact O-N 2.78Å; C119-A121 PolarHBondContact O-N 3.13Å; C119-L122 PolarHBondContact O-N 3.21Å; C119-L122 VanDerWaalsContact O-N 3.13Å; C119-Q142 PolarHBondContact SG-O 3.01Å; C119-P144 HydrophobicContact CB-CG 4.22Å
120A95.6Very high88.1Confident90 Ų9062.6 Ų62.674%0.74435%0.345SS*.G310 helixtrans-57.1-35.4-176.200000113.4L122 L123A120-L122 PolarHBondContact O-N 2.91Å; A120-L123 VanDerWaalsContact O-CB 3.27Å; A120-L123 WeakPolarHBondContact O-CB 3.3Å; A120-L123 PolarHBondContact O-N 3.25Å; A120-L123 VanDerWaalsContact O-N 3.12Å
121A94Very high86.2Confident25 Ų2567.1 Ų67.121%0.20737%0.365CS..G310 helixtrans-68.5-17.8-177.700000114.4C119 R125 I138 Q142C119-A121 PolarHBondContact O-N 3.13Å; A121-R125 WeakPolarHBondContact O-CG 3.32Å; A121-I138 HydrophobicContact CB-CG2 3.73Å; A121-Q142 HydrophobicContact CB-CB 3.8Å
122L92.9Very high84.3Confident0 Ų069 Ų690%038%0.383CS..G310 helixtrans-87.9-4.3175.8-73.4165.7000113.1W37 E38 H41 P117 I118 C119 A120 G124 R125 I138 P144W37-L122 HydrophobicContact CB-CD1 4.26Å; W37-L122 HydrophobicContact CB-CD2 4.27Å; E38-L122 HydrophobicContact CB-CD2 4.43Å; E38-L122 HydrophobicContact CG-CD2 3.83Å; H41-L122 HydrophobicContact CB-CB 4.5Å; H41-L122 HydrophobicContact CB-CD1 4.27Å; H41-L122 HydrophobicContact CB-CD2 4.23Å; H41-L122 PolarHBondContact CD2-O 2.9Å; H41-L122 VanDerWaalsContact CD2-O 3.23Å; H41-L122 PolarHBondContact NE2-O 3.3Å; P117-L122 HydrophobicContact CB-CB 4.3Å; I118-L122 HydrophobicContact CG2-CD1 3.4Å; C119-L122 PolarHBondContact O-N 3.21Å; C119-L122 VanDerWaalsContact O-N 3.13Å; A120-L122 PolarHBondContact O-N 2.91Å; L122-G124 PolarHBondContact O-N 3.27Å; L122-R125 HydrophobicContact CD2-CB 4.33Å; L122-R125 WeakPolarHBondContact O-CB 3.1Å; L122-R125 PolarHBondContact O-N 3.13Å; L122-I138 HydrophobicContact CD2-CD1 3.71Å; L122-I138 HydrophobicContact CG-CD1 4.32Å; L122-P144 HydrophobicContact CD1-CG 4.19Å
123L90.6Very high82.6Confident131 Ų13165.1 Ų65.169%0.68636%0.359SS*.THydrogen-bonded Turntrans-57.7123.9176.4-173.964.1000110.7P117 A120 R125P117-L123 HydrophobicContact CG-CB 4.11Å; P117-L123 HydrophobicContact CG-CD1 4.26Å; A120-L123 VanDerWaalsContact O-CB 3.27Å; A120-L123 WeakPolarHBondContact O-CB 3.3Å; A120-L123 PolarHBondContact O-N 3.25Å; A120-L123 VanDerWaalsContact O-N 3.12Å; L123-R125 PolarHBondContact O-N 2.61Å
124G84Confident80.9Confident50 Ų5066.8 Ų66.852%0.51537%0.372SS..THydrogen-bonded Turntrans73.19.4-179.700000114.8L122L122-G124 PolarHBondContact O-N 3.27Å
125R85.5Confident79.4Confident41 Ų4165.1 Ų65.116%0.15537%0.374CS..  trans-96.8161.4179-58.5-62.3-161.3135.8-7.3112.5E38 H41 A121 L122 L123 S127 P134 K136 I138E38-R125 HydrophobicContact CG-CB 3.82Å; E38-R125 WeakPolarHBondContact OE1-CD 2.8Å; E38-R125 IonicContact OE1-CZ 3.71Å; E38-R125 IonicContact OE1-NE 3.84Å; E38-R125 IonicContact OE1-NH1 3.87Å; E38-R125 PolarHBondContact OE1-NH1 2.98Å; H41-R125 PolarHBondContact CD2-O 2.98Å; A121-R125 WeakPolarHBondContact O-CG 3.32Å; L122-R125 HydrophobicContact CD2-CB 4.33Å; L122-R125 WeakPolarHBondContact O-CB 3.1Å; L122-R125 PolarHBondContact O-N 3.13Å; L123-R125 PolarHBondContact O-N 2.61Å; R125-S127 VanDerWaalsContact C-N 3.34Å; R125-S127 PolarHBondContact O-N 3.31Å; R125-P134 PolarHBondContact NH1-O 3.37Å; R125-K136 PolarHBondContact NH1-O 3.48Å; R125-K136 PolarHBondContact NH2-O 3.37Å; R125-I138 HydrophobicContact CG-CD1 4.22Å
126G79.3Confident78.6Confident0 Ų068.8 Ų68.80%039%0.385CS..SBendtrans76.40.1169.600000118Y6 F11 Y42Y6-G126 PolarHBondContact OH-O 3.27Å; F11-G126 VanDerWaalsContact CE2-O 3.32Å; F11-G126 WeakPolarHBondContact CE2-O 3.28Å; Y42-G126 WeakPolarHBondContact CB-O 3.21Å; Y42-G126 WeakPolarHBondContact CD2-O 3.11Å
127S75Confident78.2Confident29 Ų2967 Ų6720%0.20339%0.388CS..  trans-71.5128176.2-1800000111.7R125 I129 I133R125-S127 VanDerWaalsContact C-N 3.34Å; R125-S127 PolarHBondContact O-N 3.31Å; S127-I129 PolarHBondContact O-N 2.91Å; S127-I129 PolarHBondContact OG-N 2.82Å; S127-I133 WeakPolarHBondContact O-CD1 3.27Å
128P66.1Low78Confident22 Ų2266.1 Ų66.114%0.14338%0.381CS..THydrogen-bonded Turntrans-59.7-28.3174.21.3-3000113.5Y6 P7 Y42Y6-P128 HydrophobicContact CD1-CB 3.74Å; Y6-P128 HydrophobicContact CD1-CG 3.78Å; Y6-P128 HydrophobicContact CE1-CB 3.25Å; Y6-P128 HydrophobicContact CE1-CG 3.25Å; Y6-P128 VanDerWaalsContact OH-CD 3.3Å; Y6-P128 WeakPolarHBondContact OH-CD 3.45Å; P7-P128 HydrophobicContact CG-CB 4.19Å; P7-P128 HydrophobicContact CG-CG 4.36Å; Y42-P128 HydrophobicContact CD2-CG 4.27Å; Y42-P128 HydrophobicContact CE1-CG 4.47Å; Y42-P128 HydrophobicContact CE2-CG 3.53Å
129I65.4Low77.9Confident132 Ų13268.4 Ų68.468%0.67740%0.397SS*.THydrogen-bonded Turntrans-94.8-21-161.7-53.6172.9000110.2S127 E131S127-I129 PolarHBondContact O-N 2.91Å; S127-I129 PolarHBondContact OG-N 2.82Å; I129-E131 PolarHBondContact O-N 3.43Å
130I59.9Low77.8Confident79 Ų7971.8 Ų71.841%0.40541%0.413SS..  trans-77.4112.7179.6-62.7175.4000107.7N132 I133I130-N132 PolarHBondContact O-N 3.38Å; I130-I133 HydrophobicContact CB-CG1 4.11Å; I130-I133 HydrophobicContact CG2-CG1 4.23Å; I130-I133 WeakPolarHBondContact O-CG1 3.29Å
131E58.1Low77.8Confident168 Ų16872 Ų7279%0.78541%0.409SS*.THydrogen-bonded Turntrans-71.2-20.3179.3-64.1-173.7159.600112.7I129I129-E131 PolarHBondContact O-N 3.43Å
132N56.8Low77.9Confident148 Ų14876 Ų7679%0.79142%0.423SS*.THydrogen-bonded Turntrans-107.742.5-178.3-69-26.1000113.1I130I130-N132 PolarHBondContact O-N 3.38Å
133I61.8Low78.2Confident6 Ų676.1 Ų76.13%0.03142%0.424CS..  trans-63.6129.3170.9-58.2160.2000107.4K12 N13 S127 I130 C135K12-I133 VanDerWaalsContact O-CD1 3.3Å; K12-I133 WeakPolarHBondContact O-CD1 3.5Å; N13-I133 WeakPolarHBondContact OD1-CG2 3.37Å; S127-I133 WeakPolarHBondContact O-CD1 3.27Å; I130-I133 HydrophobicContact CB-CG1 4.11Å; I130-I133 HydrophobicContact CG2-CG1 4.23Å; I130-I133 WeakPolarHBondContact O-CG1 3.29Å; I133-C135 PolarHBondContact O-N 3.22Å
134P62.8Low78.5Confident61 Ų6170 Ų7040%0.39639%0.392SS..  trans-61.8114-179.2-16.226.5000110.1R125 K136R125-P134 PolarHBondContact NH1-O 3.37Å; P134-K136 PolarHBondContact O-N 3.2Å
135C64.8Low79.2Confident85 Ų8571.5 Ų71.557%0.57438%0.382SS*.  trans-64.1-1.4-179.7-620000114.3I133 P137I133-C135 PolarHBondContact O-N 3.22Å; C135-P137 WeakPolarHBondContact O-CD 3.32Å
136K79.5Confident79.8Confident171 Ų17169.7 Ų69.774%0.74338%0.376SS*.SBendtrans-78.6122.2178.8-67.9-172.5179.7-178.30110.1R125 P134R125-K136 PolarHBondContact NH1-O 3.48Å; R125-K136 PolarHBondContact NH2-O 3.37Å; P134-K136 PolarHBondContact O-N 3.2Å
137P84.6Confident80.6Confident100 Ų10075.3 Ų75.365%0.64940%0.402SS*.PPolyproline II helixtrans-55.2141174-24.533.9000111.6C135 P139C135-P137 WeakPolarHBondContact O-CD 3.32Å; P137-P139 WeakPolarHBondContact O-CD 3.42Å
138I90.4Very high81.6Confident12 Ų1275.6 Ų75.66%0.06240%0.401CS..PPolyproline II helixtrans-74.2125.3174.4-58.5171.5000108.4E38 A121 L122 R125 Q142 L143E38-I138 HydrophobicContact CG-CD1 4.04Å; A121-I138 HydrophobicContact CB-CG2 3.73Å; L122-I138 HydrophobicContact CD2-CD1 3.71Å; L122-I138 HydrophobicContact CG-CD1 4.32Å; R125-I138 HydrophobicContact CG-CD1 4.22Å; I138-Q142 HydrophobicContact CG2-CB 3.98Å; I138-L143 HydrophobicContact CB-CD2 3.95Å; I138-L143 HydrophobicContact CD1-CD2 4.29Å; I138-L143 HydrophobicContact CG2-CD2 3.64Å; I138-L143 HydrophobicContact CG2-CG 4.07Å
139P92.7Very high83.1Confident62 Ų6282.4 Ų82.440%0.40342%0.424SS..PPolyproline II helixtrans-57.4141.6175.5-24.133.6000112.1P137 S141 Q142 L143P137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-S141 PolarHBondContact O-N 3.31Å; P139-Q142 HydrophobicContact CB-CG 4.3Å; P139-Q142 HydrophobicContact CG-CG 4.47Å; P139-Q142 WeakPolarHBondContact O-CB 3.46Å; P139-Q142 PolarHBondContact O-N 3.27Å; P139-L143 PolarHBondContact O-N 3.01Å
140L94.8Very high84.5Confident96 Ų9679.6 Ų79.650%0.50341%0.41SS..THydrogen-bonded Turntrans-54.8-31.6-179.2-63.4-177.5000114P33 Q142 L143 R145P33-L140 HydrophobicContact CB-CD2 4.34Å; P33-L140 HydrophobicContact CG-CD2 3.16Å; L140-Q142 PolarHBondContact O-N 3.43Å; L140-L143 HydrophobicContact CD2-CD1 3.97Å; L140-L143 PolarHBondContact O-N 3.4Å; L140-R145 PolarHBondContact O-NH1 3.43Å
141S95.4Very high86.1Confident94 Ų9482.8 Ų82.866%0.65743%0.428SS*.THydrogen-bonded Turntrans-69.1-19.4177.754.30000113.5P139P139-S141 PolarHBondContact O-N 3.31Å
142Q96.5Very high87.7Confident108 Ų10881.7 Ų81.751%0.50543%0.427SS..THydrogen-bonded Turntrans-101-9.8-179.4-61.3-175.60.300113.2C119 A121 I138 P139 L140C119-Q142 PolarHBondContact SG-O 3.01Å; A121-Q142 HydrophobicContact CB-CB 3.8Å; I138-Q142 HydrophobicContact CG2-CB 3.98Å; P139-Q142 HydrophobicContact CB-CG 4.3Å; P139-Q142 HydrophobicContact CG-CG 4.47Å; P139-Q142 WeakPolarHBondContact O-CB 3.46Å; P139-Q142 PolarHBondContact O-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.43Å
143L97.6Very high89.6Confident3 Ų380.1 Ų80.12%0.01642%0.419CS..SBendtrans-71.4164.4172-66.5177.1000111.4P33 W37 I138 P139 L140 R145 L158P33-L143 HydrophobicContact CB-CD1 4Å; P33-L143 HydrophobicContact CG-CD1 4.06Å; W37-L143 HydrophobicContact CB-CD2 4.08Å; W37-L143 HydrophobicContact CG-CD2 4.36Å; I138-L143 HydrophobicContact CB-CD2 3.95Å; I138-L143 HydrophobicContact CD1-CD2 4.29Å; I138-L143 HydrophobicContact CG2-CD2 3.64Å; I138-L143 HydrophobicContact CG2-CG 4.07Å; P139-L143 PolarHBondContact O-N 3.01Å; L140-L143 HydrophobicContact CD2-CD1 3.97Å; L140-L143 PolarHBondContact O-N 3.4Å; L143-R145 WeakPolarHBondContact O-CD 3.48Å; L143-R145 WeakPolarHBondContact O-CG 3.47Å; L143-R145 PolarHBondContact O-N 3.46Å; L143-L158 HydrophobicContact CB-CD1 3.73Å; L143-L158 HydrophobicContact CD1-CD1 4.24Å
144P98.3Very high91.2Very high4 Ų483.9 Ų83.93%0.02644%0.438CS..  trans-53.2126.7-178.6-29.639.1000112.9W37 I118 C119 L122 L159W37-P144 HydrophobicContact CD2-CG 3.92Å; W37-P144 HydrophobicContact CE3-CG 4.16Å; W37-P144 HydrophobicContact CG-CG 4.46Å; W37-P144 HydrophobicContact CH2-CB 4.36Å; W37-P144 HydrophobicContact CH2-CG 4.22Å; W37-P144 HydrophobicContact CZ2-CB 3.95Å; W37-P144 HydrophobicContact CZ2-CG 3.95Å; W37-P144 HydrophobicContact CZ3-CG 4.31Å; I118-P144 HydrophobicContact CD1-CG 4.47Å; I118-P144 HydrophobicContact CG1-CB 4.38Å; I118-P144 HydrophobicContact CG1-CG 4.19Å; I118-P144 HydrophobicContact CG2-CG 3.76Å; C119-P144 HydrophobicContact CB-CG 4.22Å; L122-P144 HydrophobicContact CD1-CG 4.19Å; P144-L159 HydrophobicContact CB-CB 4.04Å; P144-L159 HydrophobicContact CB-CD1 3.99Å; P144-L159 HydrophobicContact CB-CG 4.48Å; P144-L159 WeakPolarHBondContact O-CB 3.44Å; P144-L159 PolarHBondContact O-N 3.27Å
145R98.1Very high92.9Very high81 Ų8182.6 Ų82.631%0.30643%0.43SS..BIsolated β-bridgetrans-118.2143.3-175.6-52-54.5-67.4-166.70.5111.9L140 L143 Q147 G156 G157L140-R145 PolarHBondContact O-NH1 3.43Å; L143-R145 WeakPolarHBondContact O-CD 3.48Å; L143-R145 WeakPolarHBondContact O-CG 3.47Å; L143-R145 PolarHBondContact O-N 3.46Å; R145-Q147 PolarHBondContact O-N 3.39Å; R145-Q147 PolarHBondContact O-NE2 2.9Å; R145-Q147 VanDerWaalsContact O-NE2 3.11Å; R145-G156 PolarHBondContact NE-O 2.84Å; R145-G156 PolarHBondContact NH2-O 3.3Å; R145-G157 CarbonylContact C-O 3.49Å; R145-G157 WeakPolarHBondContact CA-O 3.42Å
146C98.2Very high94.4Very high2 Ų279.7 Ų79.71%0.01442%0.415CS..  trans-64.8128.2-179-176.30000112C104 C107 N148 I154 C155 G156 G157 L159C104-C146 HydrophobicContact CB-CB 3.86Å; C104-C146 WeakPolarHBondContact SG-CB 3.22Å; C104-C146 VanDerWaalsContact SG-SG 3.69Å; C107-C146 VanDerWaalsContact SG-SG 3.66Å; C146-N148 WeakPolarHBondContact SG-CB 3.46Å; C146-N148 PolarHBondContact SG-N 3.09Å; C146-I154 WeakPolarHBondContact O-CG2 3.45Å; C146-C155 HydrophobicContact CB-CB 4.28Å; C146-G156 WeakPolarHBondContact O-CA 3.34Å; C146-G156 PolarHBondContact O-N 3.14Å; C146-G157 PolarHBondContact N-O 2.69Å; C146-L159 HydrophobicContact CB-CD2 3.84Å; C146-L159 HydrophobicContact CB-CG 4.45Å
147Q96.1Very high95.3Very high118 Ų11871.7 Ų71.755%0.55138%0.38SS*.  trans-99.87.1176.7-56.9-55.9-46.500112.7R145R145-Q147 PolarHBondContact O-N 3.39Å; R145-Q147 PolarHBondContact O-NE2 2.9Å; R145-Q147 VanDerWaalsContact O-NE2 3.11Å
148N96.8Very high95.9Very high36 Ų3667.9 Ų67.919%0.19335%0.354CS..  trans-65.5140.2176.5-16624.9000110.9D109 R111 C146 C155D109-N148 HydrophobicContact CB-CB 3.96Å; D109-N148 WeakPolarHBondContact OD2-CB 3.28Å; R111-N148 PolarHBondContact NH2-OD1 3.48Å; C146-N148 WeakPolarHBondContact SG-CB 3.46Å; C146-N148 PolarHBondContact SG-N 3.09Å; N148-C155 WeakPolarHBondContact O-CB 3.34Å; N148-C155 PolarHBondContact O-N 3.27Å
149R96.7Very high96.3Very high164 Ų16468 Ų6862%0.61936%0.355SS*.EExtended strand (participates in β ladder)trans-99.4124.5177.1-72.2-175.9176.9-962.4110N152 N153 I154R149-N152 PolarHBondContact NH1-O 3.03Å; R149-N153 CarbonylContact C-O 3.53Å; R149-N153 VanDerWaalsContact CA-O 3.29Å; R149-N153 WeakPolarHBondContact CA-O 3.36Å; R149-I154 HydrophobicContact CG-CG1 4.45Å
150I94.6Very high96.6Very high73 Ų7366 Ų6637%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-125.2119.9176.3-60.3169.1000106.4C107 N152 N153 C155C107-I150 HydrophobicContact CB-CD1 3.28Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.35Å; I150-N153 PolarHBondContact N-O 3.23Å; I150-N153 PolarHBondContact O-N 3.2Å; I150-C155 HydrophobicContact CD1-CB 4.17Å
151N93.2Very high96.7Very high147 Ų14761.6 Ų61.679%0.78632%0.316SS*.THydrogen-bonded Turntrans51.249.4-177.1-56-30000112.7N153N151-N153 PolarHBondContact O-N 3.25Å
152N92.5Very high96.9Very high144 Ų14458.3 Ų58.377%0.7729%0.291SS*.THydrogen-bonded Turntrans64.1-4-176.4-64.7-24.5000117R149 I150R149-N152 PolarHBondContact NH1-O 3.03Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.35Å
153N95.4Very high96.9Very high115 Ų11553.6 Ų53.662%0.61527%0.269SS*.EExtended strand (participates in β ladder)trans-98.2143.5176.7-66.2-47.4000111.5R149 I150 N151 C155R149-N153 CarbonylContact C-O 3.53Å; R149-N153 VanDerWaalsContact CA-O 3.29Å; R149-N153 WeakPolarHBondContact CA-O 3.36Å; I150-N153 PolarHBondContact N-O 3.23Å; I150-N153 PolarHBondContact O-N 3.2Å; N151-N153 PolarHBondContact O-N 3.25Å; N153-C155 PolarHBondContact O-N 2.94Å
154I96.4Very high96.7Very high85 Ų8555 Ų5544%0.43628%0.278SS..EExtended strand (participates in β ladder)trans-70.9126.7171-62.5174.9000107.5C146 R149 G156C146-I154 WeakPolarHBondContact O-CG2 3.45Å; R149-I154 HydrophobicContact CG-CG1 4.45Å; I154-G156 VanDerWaalsContact C-N 3.28Å; I154-G156 PolarHBondContact O-N 2.75Å
155C97.6Very high96.6Very high35 Ų3555.2 Ų55.224%0.23628%0.278CS..  trans-55.3-45.8178.7169.50000111.2C146 N148 I150 N153 G157C146-C155 HydrophobicContact CB-CB 4.28Å; N148-C155 WeakPolarHBondContact O-CB 3.34Å; N148-C155 PolarHBondContact O-N 3.27Å; I150-C155 HydrophobicContact CD1-CB 4.17Å; N153-C155 PolarHBondContact O-N 2.94Å; C155-G157 PolarHBondContact O-N 3.44Å
156G97Very high96.2Very high24 Ų2457.4 Ų57.425%0.24729%0.29CS..  trans66.44.417500000114.3R145 C146 I154R145-G156 PolarHBondContact NE-O 2.84Å; R145-G156 PolarHBondContact NH2-O 3.3Å; C146-G156 WeakPolarHBondContact O-CA 3.34Å; C146-G156 PolarHBondContact O-N 3.14Å; I154-G156 VanDerWaalsContact C-N 3.28Å; I154-G156 PolarHBondContact O-N 2.75Å
157G97.8Very high95.8Very high2 Ų261.4 Ų61.42%0.02133%0.332CS..PPolyproline II helixtrans-60.1155.6178.900000113.5E106 R145 C146 C155 L159E106-G157 VanDerWaalsContact CG-CA 3.41Å; R145-G157 CarbonylContact C-O 3.49Å; R145-G157 WeakPolarHBondContact CA-O 3.42Å; C146-G157 PolarHBondContact N-O 2.69Å; C155-G157 PolarHBondContact O-N 3.44Å; G157-L159 PolarHBondContact O-N 2.97Å
158L98.3Very high95.6Very high20 Ų2058.8 Ų58.811%0.10532%0.32CS..BIsolated β-bridgetrans-64.7128.9175.2-17961000109F29 P33 L105 L143F29-L158 HydrophobicContact CE1-CD2 3.72Å; F29-L158 HydrophobicContact CE1-CG 4.34Å; F29-L158 HydrophobicContact CZ-CD2 3.82Å; F29-L158 HydrophobicContact CZ-CG 4.12Å; P33-L158 HydrophobicContact CB-CD2 4.18Å; P33-L158 HydrophobicContact CG-CD2 4.44Å; L105-L158 HydrophobicContact CD1-CB 4.4Å; L105-L158 HydrophobicContact CD1-CD2 4.3Å; L105-L158 HydrophobicContact CD1-CG 4.43Å; L105-L158 PolarHBondContact N-O 2.82Å; L143-L158 HydrophobicContact CB-CD1 3.73Å; L143-L158 HydrophobicContact CD1-CD1 4.24Å
159L98.6Very high95.5Very high14 Ų1464.3 Ų64.37%0.07335%0.349CS..EExtended strand (participates in β ladder)trans-82.8148.1169.5-62.8174.9000109W37 T102 R103 C104 P144 C146 G157W37-L159 VanDerWaalsContact CE2-O 3.29Å; W37-L159 HydrophobicContact CZ2-CB 3.98Å; W37-L159 VanDerWaalsContact CZ2-O 3.23Å; W37-L159 WeakPolarHBondContact CZ2-O 3.4Å; W37-L159 PolarHBondContact NE1-O 3.12Å; T102-L159 HydrophobicContact CG2-CD1 4.34Å; R103-L159 WeakPolarHBondContact O-CA 3.34Å; C104-L159 HydrophobicContact CB-CD2 3.95Å; P144-L159 HydrophobicContact CB-CB 4.04Å; P144-L159 HydrophobicContact CB-CD1 3.99Å; P144-L159 HydrophobicContact CB-CG 4.48Å; P144-L159 WeakPolarHBondContact O-CB 3.44Å; P144-L159 PolarHBondContact O-N 3.27Å; C146-L159 HydrophobicContact CB-CD2 3.84Å; C146-L159 HydrophobicContact CB-CG 4.45Å; G157-L159 PolarHBondContact O-N 2.97Å
160R98.3Very high95.4Very high22 Ų2257.4 Ų57.48%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-117.2159.115960.8171.1-78.4-178-5.7110F29 W37 T102 R103 L105 H162 V163 W165 E168F29-R160 HydrophobicContact CE1-CB 4.18Å; F29-R160 HydrophobicContact CE2-CB 4.09Å; F29-R160 HydrophobicContact CZ-CB 3.81Å; W37-R160 VanDerWaalsContact CZ2-C 3.47Å; T102-R160 CarbonylContact C-O 3.51Å; T102-R160 WeakPolarHBondContact CA-O 3.46Å; R103-R160 HydrophobicContact CB-CG 4.14Å; R103-R160 PolarHBondContact N-O 3.12Å; R103-R160 WeakPolarHBondContact O-CG 3.22Å; R103-R160 PolarHBondContact O-N 2.74Å; L105-R160 HydrophobicContact CD2-CB 4.48Å; L105-R160 HydrophobicContact CD2-CG 3.82Å; L105-R160 HydrophobicContact CG-CG 4.36Å; R160-H162 PolarHBondContact O-N 3.07Å; R160-V163 PolarHBondContact NH2-O 2.93Å; R160-W165 HydrophobicContact CB-CH2 3.84Å; R160-W165 HydrophobicContact CB-CZ2 4.27Å; R160-W165 HydrophobicContact CG-CH2 4.45Å; R160-W165 VanDerWaalsContact NE-CH2 3.27Å; R160-W165 VanDerWaalsContact NH1-CE3 3.27Å; R160-E168 IonicContact CZ-OE1 3.38Å; R160-E168 IonicContact CZ-OE2 3.64Å; R160-E168 IonicContact NH1-OE1 2.65Å; R160-E168 PolarHBondContact NH1-OE1 2.95Å; R160-E168 IonicContact NH1-OE2 3.69Å; R160-E168 VanDerWaalsContact NH2-CD 3.35Å; R160-E168 IonicContact NH2-OE1 3.22Å; R160-E168 PolarHBondContact NH2-OE1 2.92Å; R160-E168 IonicContact NH2-OE2 2.72Å; R160-E168 PolarHBondContact NH2-OE2 2.91Å
161P98.1Very high95.4Very high2 Ų256.4 Ų56.41%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-54.3134.3164.4-19.930.9000109.9W37 Y40 V163W37-P161 HydrophobicContact CE3-CG 4.17Å; W37-P161 HydrophobicContact CH2-CG 3.86Å; W37-P161 HydrophobicContact CZ2-CG 4.24Å; W37-P161 HydrophobicContact CZ3-CG 3.81Å; Y40-P161 HydrophobicContact CD1-CB 3.93Å; Y40-P161 HydrophobicContact CD1-CG 3.88Å; Y40-P161 HydrophobicContact CD2-CB 4.29Å; Y40-P161 HydrophobicContact CD2-CG 3.47Å; Y40-P161 VanDerWaalsContact CD2-CG 3.47Å; Y40-P161 HydrophobicContact CE1-CB 4.18Å; Y40-P161 HydrophobicContact CE1-CG 4.37Å; Y40-P161 HydrophobicContact CE2-CB 4.49Å; Y40-P161 HydrophobicContact CE2-CG 3.98Å; Y40-P161 HydrophobicContact CG-CB 3.99Å; Y40-P161 HydrophobicContact CG-CG 3.41Å; Y40-P161 VanDerWaalsContact CG-CG 3.41Å; P161-V163 HydrophobicContact CB-CG1 4.49Å; P161-V163 HydrophobicContact CB-CG2 4.05Å; P161-V163 PolarHBondContact O-N 3.33Å
162H98Very high95.4Very high26 Ų2654.2 Ų54.212%0.1231%0.312CS..EExtended strand (participates in β ladder)trans-84.470175.2-178.953.2000109.3G97 N98 K101 R103 I110 R160 E171G97-H162 CarbonylContact C-O 3.4Å; G97-H162 WeakPolarHBondContact CA-O 3.44Å; N98-H162 PolarHBondContact N-O 3.25Å; K101-H162 HydrophobicContact CB-CB 3.7Å; K101-H162 WeakPolarHBondContact O-CB 3.48Å; K101-H162 PolarHBondContact O-N 3.38Å; R103-H162 HydrophobicContact CB-CB 4.18Å; R103-H162 PolarHBondContact NH2-CE1 3.28Å; I110-H162 HydrophobicContact CG2-CB 4.39Å; R160-H162 PolarHBondContact O-N 3.07Å; H162-E171 IonicContact CE1-OE1 3.98Å
163V97Very high95.5Very high8 Ų853.1 Ų53.15%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-129.2150173.6-58.60000108.9Y40 V80 H96 L99 R160 P161 W165Y40-V163 HydrophobicContact CE1-CG1 4.36Å; Y40-V163 HydrophobicContact CE1-CG2 3.71Å; Y40-V163 VanDerWaalsContact OH-CG2 3.27Å; Y40-V163 WeakPolarHBondContact OH-CG2 3.27Å; V80-V163 HydrophobicContact CB-CG1 4.17Å; V80-V163 HydrophobicContact CG1-CB 4.42Å; V80-V163 HydrophobicContact CG1-CG1 4.01Å; H96-V163 CarbonylContact O-C 3.58Å; H96-V163 WeakPolarHBondContact O-CA 3.17Å; H96-V163 WeakPolarHBondContact O-CB 3.29Å; L99-V163 HydrophobicContact CD2-CG1 4.49Å; R160-V163 PolarHBondContact NH2-O 2.93Å; P161-V163 HydrophobicContact CB-CG1 4.49Å; P161-V163 HydrophobicContact CB-CG2 4.05Å; P161-V163 PolarHBondContact O-N 3.33Å; V163-W165 PolarHBondContact O-N 2.93Å
164V94.8Very high95.6Very high34 Ų3449.1 Ų49.121%0.20628%0.28CS..PPolyproline II helixtrans-78.7117.5174.6-178.70000108H96 E168H96-V164 HydrophobicContact CB-CB 4.39Å; H96-V164 PolarHBondContact O-N 3.35Å; V164-E168 HydrophobicContact CG1-CB 4.03Å
165W94.3Very high95.5Very high7 Ų748.1 Ų48.13%0.02728%0.275CS..PPolyproline II helixtrans-82.6160.2175.6-73-29.8000112A24 P26 F29 V36 Y40 R160 V163 G167 E168A24-W165 WeakPolarHBondContact O-CA 3.36Å; A24-W165 VanDerWaalsContact O-CB 3.22Å; A24-W165 WeakPolarHBondContact O-CB 3.41Å; P26-W165 HydrophobicContact CB-CE3 4.25Å; P26-W165 HydrophobicContact CG-CB 4.46Å; P26-W165 HydrophobicContact CG-CE3 4.06Å; F29-W165 HydrophobicContact CB-CE3 4.42Å; F29-W165 HydrophobicContact CB-CH2 3.35Å; F29-W165 HydrophobicContact CB-CZ2 4.09Å; F29-W165 HydrophobicContact CB-CZ3 3.51Å; F29-W165 AromaticContact CD1-CH2 3.8Å; F29-W165 HydrophobicContact CD1-CH2 3.8Å; F29-W165 HydrophobicContact CD1-CZ3 4.22Å; F29-W165 AromaticContact CD2-CH2 3.45Å; F29-W165 HydrophobicContact CD2-CH2 3.45Å; F29-W165 VanDerWaalsContact CD2-CH2 3.45Å; F29-W165 AromaticContact CD2-CZ2 3.84Å; F29-W165 HydrophobicContact CD2-CZ2 3.84Å; F29-W165 HydrophobicContact CD2-CZ3 4.44Å; F29-W165 HydrophobicContact CE1-CH2 4.48Å; F29-W165 HydrophobicContact CE2-CH2 4.17Å; F29-W165 AromaticContact CG-CH2 3.22Å; F29-W165 HydrophobicContact CG-CH2 3.22Å; F29-W165 HydrophobicContact CG-CZ2 4.04Å; F29-W165 AromaticContact CG-CZ3 3.81Å; F29-W165 HydrophobicContact CG-CZ3 3.81Å; V36-W165 HydrophobicContact CG1-CZ2 4.29Å; Y40-W165 AromaticContact CE2-NE1 3.57Å; Y40-W165 AromaticContact CZ-NE1 3.53Å; Y40-W165 PolarHBondContact OH-NE1 3.17Å; R160-W165 HydrophobicContact CB-CH2 3.84Å; R160-W165 HydrophobicContact CB-CZ2 4.27Å; R160-W165 HydrophobicContact CG-CH2 4.45Å; R160-W165 VanDerWaalsContact NE-CH2 3.27Å; R160-W165 VanDerWaalsContact NH1-CE3 3.27Å; V163-W165 PolarHBondContact O-N 2.93Å; W165-G167 PolarHBondContact O-N 2.86Å; W165-E168 HydrophobicContact CB-CG 4.07Å; W165-E168 WeakPolarHBondContact CB-OE2 3.42Å; W165-E168 PolarHBondContact N-OE2 3.13Å; W165-E168 WeakPolarHBondContact O-CB 3.27Å; W165-E168 PolarHBondContact O-N 3.33Å
166F89.8Confident95.4Very high127 Ų12749.7 Ų49.756%0.55729%0.287SS*.THydrogen-bonded Turntrans-60.2132.3170-68.2-76.6000109.5K21 A24 T25 P26K21-F166 HydrophobicContact CB-CD2 4.42Å; K21-F166 HydrophobicContact CB-CE2 4.06Å; A24-F166 HydrophobicContact CB-CD2 4.13Å; A24-F166 HydrophobicContact CB-CE2 4.38Å; A24-F166 PolarHBondContact O-N 3.28Å; T25-F166 HydrophobicContact CG2-CB 4.3Å; P26-F166 WeakPolarHBondContact CD-O 3.22Å
167G89.6Confident95.4Very high86 Ų8653.7 Ų53.789%0.88730%0.297SS*.THydrogen-bonded Turntrans89.9-8-173.300000114.4W165W165-G167 PolarHBondContact O-N 2.86Å
168E93.7Very high95.3Very high63 Ų6353.6 Ų53.629%0.29430%0.296SS..PPolyproline II helixtrans-93.4152.3173.2-62.1-171.9139.900112.5P26 R160 V164 W165P26-E168 HydrophobicContact CG-CG 3.66Å; R160-E168 IonicContact CZ-OE1 3.38Å; R160-E168 IonicContact CZ-OE2 3.64Å; R160-E168 IonicContact NH1-OE1 2.65Å; R160-E168 PolarHBondContact NH1-OE1 2.95Å; R160-E168 IonicContact NH1-OE2 3.69Å; R160-E168 VanDerWaalsContact NH2-CD 3.35Å; R160-E168 IonicContact NH2-OE1 3.22Å; R160-E168 PolarHBondContact NH2-OE1 2.92Å; R160-E168 IonicContact NH2-OE2 2.72Å; R160-E168 PolarHBondContact NH2-OE2 2.91Å; V164-E168 HydrophobicContact CG1-CB 4.03Å; W165-E168 HydrophobicContact CB-CG 4.07Å; W165-E168 WeakPolarHBondContact CB-OE2 3.42Å; W165-E168 PolarHBondContact N-OE2 3.13Å; W165-E168 WeakPolarHBondContact O-CB 3.27Å; W165-E168 PolarHBondContact O-N 3.33Å
169N93.6Very high95.2Very high152 Ų15254 Ų5481%0.81331%0.306SS*.PPolyproline II helixtrans-77146.1169.5-68.2-52.4000110.3
170L94.1Very high95.1Very high19 Ų1958 Ų5810%0.09932%0.324CS..PPolyproline II helixtrans-60.1148.7162.5-74.4113.8000110.5L95 P172 L175 P199L95-L170 HydrophobicContact CB-CD2 3.68Å; L95-L170 HydrophobicContact CD2-CD2 4.38Å; L95-L170 HydrophobicContact CG-CD2 4.47Å; L95-L170 WeakPolarHBondContact O-CD2 3.42Å; L170-P172 WeakPolarHBondContact O-CD 3.42Å; L170-L175 HydrophobicContact CB-CB 4.47Å; L170-P199 HydrophobicContact CD1-CG 3.48Å; L170-P199 VanDerWaalsContact CD1-CG 3.48Å
171E94.4Very high95.1Very high53 Ų5358.1 Ų58.125%0.24833%0.326CS..PPolyproline II helixtrans-53.6121173-69.7-67.816000110.4R103 H162 H173 I174 L175R103-E171 IonicContact CZ-OE1 3.6Å; R103-E171 IonicContact NH2-OE1 2.58Å; R103-E171 PolarHBondContact NH2-OE1 2.87Å; R103-E171 IonicContact NH2-OE2 3.9Å; H162-E171 IonicContact CE1-OE1 3.98Å; E171-H173 VanDerWaalsContact C-N 3.27Å; E171-H173 PolarHBondContact O-N 3.5Å; E171-H173 IonicContact OE2-CE1 3.58Å; E171-H173 IonicContact OE2-ND1 3.84Å; E171-I174 HydrophobicContact CB-CB 3.94Å; E171-I174 HydrophobicContact CB-CG1 3.65Å; E171-I174 HydrophobicContact CG-CG1 4.39Å; E171-I174 WeakPolarHBondContact O-CB 3.17Å; E171-I174 PolarHBondContact O-N 3.35Å; E171-L175 PolarHBondContact O-N 2.99Å
172P94.3Very high95Very high100 Ų10058.7 Ų58.765%0.64933%0.329SS*.Hα-helixtrans-56.8-38.9-172.4-29.535.3000113.7L170 L175 S176L170-P172 WeakPolarHBondContact O-CD 3.42Å; P172-L175 PolarHBondContact O-N 2.74Å; P172-S176 WeakPolarHBondContact O-CB 3.27Å; P172-S176 PolarHBondContact O-N 3.44Å
173H95.5Very high94.9Very high121 Ų12164 Ų6456%0.5635%0.354SS*.Hα-helixtrans-68.3-35.1178.468.2-85.6000112.5E171 K177E171-H173 VanDerWaalsContact C-N 3.27Å; E171-H173 PolarHBondContact O-N 3.5Å; E171-H173 IonicContact OE2-CE1 3.58Å; E171-H173 IonicContact OE2-ND1 3.84Å; H173-K177 WeakPolarHBondContact O-CB 3.13Å; H173-K177 PolarHBondContact O-N 3.21Å
174I95.6Very high94.9Very high32 Ų3271.6 Ų71.616%0.16439%0.387CS..Hα-helixtrans-68.9-45.3174.5-61.9-60.7000109.9L93 L95 E171 S176 K177 A178L93-I174 HydrophobicContact CD1-CD1 3.82Å; L93-I174 HydrophobicContact CD1-CG2 3.92Å; L93-I174 HydrophobicContact CD2-CG2 4.29Å; L93-I174 HydrophobicContact CG-CG2 3.93Å; L95-I174 HydrophobicContact CD2-CG2 3.75Å; E171-I174 HydrophobicContact CB-CB 3.94Å; E171-I174 HydrophobicContact CB-CG1 3.65Å; E171-I174 HydrophobicContact CG-CG1 4.39Å; E171-I174 WeakPolarHBondContact O-CB 3.17Å; E171-I174 PolarHBondContact O-N 3.35Å; I174-S176 PolarHBondContact O-N 3Å; I174-K177 PolarHBondContact O-N 2.94Å; I174-A178 WeakPolarHBondContact O-CB 3.35Å; I174-A178 PolarHBondContact O-N 3.4Å
175L94.4Very high95Very high63 Ų6371.2 Ų71.233%0.3339%0.387SS..Hα-helixtrans-64.1-41.8179.1-173.364.9000111.7L170 E171 P172 A178 G179 P199 F203L170-L175 HydrophobicContact CB-CB 4.47Å; E171-L175 PolarHBondContact O-N 2.99Å; P172-L175 PolarHBondContact O-N 2.74Å; L175-A178 WeakPolarHBondContact O-CB 3.46Å; L175-A178 PolarHBondContact O-N 2.88Å; L175-G179 PolarHBondContact O-N 2.8Å; L175-P199 HydrophobicContact CD1-CG 3.84Å; L175-F203 HydrophobicContact CD1-CE1 4.47Å; L175-F203 HydrophobicContact CD1-CZ 3.88Å
176S95.6Very high95.1Very high69 Ų6976.6 Ų76.648%0.48342%0.416SS..Hα-helixtrans-61.9-47174.9-172.10000111.5P172 I174 A178 G179 E180P172-S176 WeakPolarHBondContact O-CB 3.27Å; P172-S176 PolarHBondContact O-N 3.44Å; I174-S176 PolarHBondContact O-N 3Å; S176-A178 VanDerWaalsContact C-N 3.32Å; S176-A178 PolarHBondContact O-N 3.37Å; S176-G179 PolarHBondContact O-N 3.5Å; S176-G179 VanDerWaalsContact O-N 3.13Å; S176-E180 WeakPolarHBondContact O-CG 3.44Å; S176-E180 PolarHBondContact O-N 2.94Å
177K96.9Very high95.4Very high107 Ų10774.7 Ų74.747%0.46542%0.415SS..Hα-helixtrans-61.3-40.6176.5-175.8172179.3-178.80112L93 H173 I174 G179 E180 I181L93-K177 HydrophobicContact CD1-CD 3.95Å; L93-K177 HydrophobicContact CD1-CG 4.36Å; L93-K177 HydrophobicContact CD2-CB 4.41Å; L93-K177 HydrophobicContact CD2-CG 4.36Å; H173-K177 WeakPolarHBondContact O-CB 3.13Å; H173-K177 PolarHBondContact O-N 3.21Å; I174-K177 PolarHBondContact O-N 2.94Å; K177-G179 VanDerWaalsContact C-N 3.34Å; K177-E180 PolarHBondContact O-N 3.47Å; K177-I181 HydrophobicContact CG-CD1 4.16Å; K177-I181 VanDerWaalsContact O-CG1 3.32Å; K177-I181 WeakPolarHBondContact O-CG1 3.5Å; K177-I181 PolarHBondContact O-N 3.04Å; K177-I181 VanDerWaalsContact O-N 3.09Å
178A96.9Very high95.8Very high0 Ų071.8 Ų71.80%038%0.38CS..Hα-helixtrans-60.6-45.417400000111I76 L93 L95 I174 L175 S176 E180 I181 V182 F203I76-A178 HydrophobicContact CD1-CB 4.26Å; L93-A178 HydrophobicContact CD2-CB 3.56Å; L95-A178 HydrophobicContact CD2-CB 4Å; I174-A178 WeakPolarHBondContact O-CB 3.35Å; I174-A178 PolarHBondContact O-N 3.4Å; L175-A178 WeakPolarHBondContact O-CB 3.46Å; L175-A178 PolarHBondContact O-N 2.88Å; S176-A178 VanDerWaalsContact C-N 3.32Å; S176-A178 PolarHBondContact O-N 3.37Å; A178-E180 PolarHBondContact O-N 3.48Å; A178-I181 PolarHBondContact O-N 3.24Å; A178-V182 WeakPolarHBondContact O-CB 3.44Å; A178-V182 WeakPolarHBondContact O-CG2 3.34Å; A178-V182 PolarHBondContact O-N 2.9Å; A178-F203 HydrophobicContact CB-CE2 3.81Å; A178-F203 HydrophobicContact CB-CZ 3.71Å
179G95.9Very high95.9Very high29 Ų2971.3 Ų71.330%0.29938%0.38SS..Hα-helixtrans-58.4-45176.300000112.9L175 S176 K177 V182 Q183L175-G179 PolarHBondContact O-N 2.8Å; S176-G179 PolarHBondContact O-N 3.5Å; S176-G179 VanDerWaalsContact O-N 3.13Å; K177-G179 VanDerWaalsContact C-N 3.34Å; G179-V182 PolarHBondContact O-N 2.95Å; G179-Q183 VanDerWaalsContact O-CB 3.3Å; G179-Q183 WeakPolarHBondContact O-CB 3.48Å; G179-Q183 PolarHBondContact O-N 2.9Å
180E96.8Very high96Very high98 Ų9864.7 Ų64.746%0.45835%0.345SS..Hα-helixtrans-62.2-43176.7-71.2173.5-159.300112.7S176 K177 A178 Q183 K184S176-E180 WeakPolarHBondContact O-CG 3.44Å; S176-E180 PolarHBondContact O-N 2.94Å; K177-E180 PolarHBondContact O-N 3.47Å; A178-E180 PolarHBondContact O-N 3.48Å; E180-Q183 PolarHBondContact O-N 3.34Å; E180-K184 WeakPolarHBondContact O-CG 3.33Å; E180-K184 PolarHBondContact O-N 3.41Å
181I97.2Very high96.1Very high25 Ų2565.3 Ų65.313%0.12835%0.349CS..Hα-helixtrans-62.7-49.5176.4-68.2163.8000109.8F74 I76 L93 K177 A178 Q183 K184 A185F74-I181 HydrophobicContact CB-CD1 4.3Å; F74-I181 HydrophobicContact CB-CG2 3.81Å; F74-I181 HydrophobicContact CD1-CD1 3.66Å; F74-I181 HydrophobicContact CD1-CG1 4.22Å; F74-I181 HydrophobicContact CD2-CG1 4.25Å; F74-I181 HydrophobicContact CD2-CG2 3.91Å; F74-I181 HydrophobicContact CE1-CD1 4.08Å; F74-I181 HydrophobicContact CE1-CG1 4.41Å; F74-I181 HydrophobicContact CE2-CG1 4.41Å; F74-I181 HydrophobicContact CG-CD1 3.91Å; F74-I181 HydrophobicContact CG-CG1 4.15Å; F74-I181 HydrophobicContact CG-CG2 3.92Å; I76-I181 HydrophobicContact CD1-CB 4.31Å; I76-I181 HydrophobicContact CD1-CG2 4.03Å; L93-I181 HydrophobicContact CD2-CD1 4.31Å; K177-I181 HydrophobicContact CG-CD1 4.16Å; K177-I181 VanDerWaalsContact O-CG1 3.32Å; K177-I181 WeakPolarHBondContact O-CG1 3.5Å; K177-I181 PolarHBondContact O-N 3.04Å; K177-I181 VanDerWaalsContact O-N 3.09Å; A178-I181 PolarHBondContact O-N 3.24Å; I181-Q183 VanDerWaalsContact C-N 3.29Å; I181-Q183 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact O-N 2.87Å; I181-A185 PolarHBondContact O-N 3.34Å
182V96.7Very high96Very high13 Ų1364.8 Ų64.88%0.07936%0.358CS..Hα-helixtrans-61.8-38.1179.41700000111.1I76 A178 G179 K184 A185 F203 L207 R210I76-V182 HydrophobicContact CD1-CG2 3.99Å; A178-V182 WeakPolarHBondContact O-CB 3.44Å; A178-V182 WeakPolarHBondContact O-CG2 3.34Å; A178-V182 PolarHBondContact O-N 2.9Å; G179-V182 PolarHBondContact O-N 2.95Å; V182-K184 VanDerWaalsContact C-N 3.34Å; V182-K184 PolarHBondContact O-N 2.99Å; V182-A185 PolarHBondContact O-N 2.98Å; V182-F203 HydrophobicContact CG1-CB 4.15Å; V182-F203 HydrophobicContact CG1-CD1 4.47Å; V182-F203 HydrophobicContact CG2-CB 3.84Å; V182-F203 HydrophobicContact CG2-CD1 4.16Å; V182-F203 HydrophobicContact CG2-CD2 4.08Å; V182-F203 HydrophobicContact CG2-CG 3.79Å; V182-L207 HydrophobicContact CG1-CD1 3.94Å; V182-L207 HydrophobicContact CG1-CG 3.98Å; V182-R210 PolarHBondContact O-NH2 2.89Å
183Q95.9Very high95.7Very high137 Ų13760.9 Ų60.964%0.6433%0.334SS*.Hα-helixtrans-63.3-40178.2-173.2179.219.400112G179 E180 I181 R210G179-Q183 VanDerWaalsContact O-CB 3.3Å; G179-Q183 WeakPolarHBondContact O-CB 3.48Å; G179-Q183 PolarHBondContact O-N 2.9Å; E180-Q183 PolarHBondContact O-N 3.34Å; I181-Q183 VanDerWaalsContact C-N 3.29Å; I181-Q183 PolarHBondContact O-N 2.95Å; Q183-R210 PolarHBondContact O-NH1 3.24Å
184K97Very high95.2Very high169 Ų16958.4 Ų58.474%0.73533%0.33SS*.Hα-helixtrans-84.5-15.1-177.5-67.6174.3-176.9172.50114.4E180 I181 V182E180-K184 WeakPolarHBondContact O-CG 3.33Å; E180-K184 PolarHBondContact O-N 3.41Å; I181-K184 PolarHBondContact O-N 2.87Å; V182-K184 VanDerWaalsContact C-N 3.34Å; V182-K184 PolarHBondContact O-N 2.99Å
185A97.4Very high94.5Very high25 Ų2557.7 Ų57.721%0.20733%0.328CS..  trans-66.1135.1-176.400000112.5I181 V182 L207I181-A185 PolarHBondContact O-N 3.34Å; V182-A185 PolarHBondContact O-N 2.98Å; A185-L207 HydrophobicContact CB-CD2 3.99Å
186D96.5Very high93.8Very high121 Ų12157.7 Ų57.765%0.64734%0.338SS*.SBendtrans-106.2-12.1175.560.6-6.9000113I212 P213D186-I212 VanDerWaalsContact C-CG2 3.45Å; D186-I212 WeakPolarHBondContact O-CG2 3.39Å; D186-P213 WeakPolarHBondContact O-CD 3.41Å
187V95.8Very high93.1Very high86 Ų8657.2 Ų57.252%0.52133%0.331SS..  trans-144.8144.8170.9179.20000109.1
188C96.8Very high92.4Very high25 Ų2559.6 Ų59.617%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-135.1134.1175.1-178.20000112.7L207 P213 V214 A215C188-L207 HydrophobicContact CB-CD1 3.66Å; C188-P213 PolarHBondContact N-O 3.22Å; C188-V214 HydrophobicContact CB-CG1 4.24Å; C188-V214 HydrophobicContact CB-CG2 4.17Å; C188-V214 WeakPolarHBondContact O-CA 3.48Å; C188-A215 PolarHBondContact O-N 3.39Å
189L96.5Very high91.9Very high54 Ų5461.6 Ų61.628%0.28335%0.352SS..EExtended strand (participates in β ladder)trans-107.7125.6169.3-55.2-177.4000109.5V191 A215 I217 L240 L243 F244L189-V191 HydrophobicContact CB-CG2 4.25Å; L189-A215 CarbonylContact C-O 3.57Å; L189-A215 WeakPolarHBondContact CA-O 3.35Å; L189-A215 HydrophobicContact CD2-CB 3.81Å; L189-I217 HydrophobicContact CB-CD1 4.33Å; L189-I217 HydrophobicContact CD2-CD1 4.26Å; L189-L240 HydrophobicContact CD1-CD2 4.5Å; L189-L243 HydrophobicContact CD1-CD2 4.42Å; L189-L243 HydrophobicContact CD2-CD2 4.34Å; L189-F244 HydrophobicContact CD1-CE1 4.16Å; L189-F244 HydrophobicContact CD1-CZ 3.66Å
190V95.8Very high91.3Very high12 Ų1261 Ų617%0.07334%0.342CS..EExtended strand (participates in β ladder)trans-106.1107.6173.6-176.80000108.6A193 T204 V214 A215 E216 I217V190-A193 HydrophobicContact CG1-CB 4.18Å; V190-T204 HydrophobicContact CG2-CG2 3.65Å; V190-T204 VanDerWaalsContact CG2-OG1 3.29Å; V190-T204 WeakPolarHBondContact CG2-OG1 3.2Å; V190-V214 HydrophobicContact CG2-CG1 3.89Å; V190-A215 PolarHBondContact N-O 3.2Å; V190-E216 CarbonylContact O-C 3.46Å; V190-E216 WeakPolarHBondContact O-CA 3.47Å; V190-I217 PolarHBondContact O-N 2.96Å
191V96.6Very high90.7Very high33 Ų3357 Ų5720%0.233%0.325CS..EExtended strand (participates in β ladder)trans-111.6113.7-169.1-174.80000111L189 A193 I217 L240L189-V191 HydrophobicContact CB-CG2 4.25Å; V191-A193 VanDerWaalsContact C-N 3.32Å; V191-A193 PolarHBondContact O-N 3.41Å; V191-I217 HydrophobicContact CG2-CB 4.48Å; V191-I217 HydrophobicContact CG2-CD1 4.32Å; V191-L240 HydrophobicContact CG1-CD1 3.9Å; V191-L240 HydrophobicContact CG2-CD1 4.33Å; V191-L240 HydrophobicContact CG2-CD2 4.15Å
192G92.6Very high90.4Very high41 Ų4157.9 Ų57.942%0.42333%0.334SS..SBendtrans6330.5169.300000115.3I217G192-I217 PolarHBondContact N-O 2.58Å
193A87.2Confident90.2Very high19 Ų1958.6 Ų58.616%0.15734%0.336CS..  trans-108.1142.3177.200000110.7V190 V191 S195 N218 T222V190-A193 HydrophobicContact CG1-CB 4.18Å; V191-A193 VanDerWaalsContact C-N 3.32Å; V191-A193 PolarHBondContact O-N 3.41Å; A193-S195 PolarHBondContact O-N 3.03Å; A193-N218 PolarHBondContact O-ND2 3.17Å; A193-T222 WeakPolarHBondContact O-CG2 3.39Å
194S85.8Confident90Very high68 Ų6852.8 Ų52.848%0.47631%0.31SS..  trans-74.5-5.5175.557.50000114A196S194-A196 PolarHBondContact O-N 2.87Å; S194-A196 VanDerWaalsContact O-N 3.16Å
195S80.9Confident89.6Confident18 Ų1850.4 Ų50.413%0.12630%0.296CS..SBendtrans54.729.2-177.1-58.40000114.3A193 A201A193-S195 PolarHBondContact O-N 3.03Å; S195-A201 WeakPolarHBondContact O-CB 3.27Å
196A79.7Confident89.4Confident63 Ų6351.9 Ų51.952%0.52131%0.305SS..  trans-110.7-17.5-175.100000114.7S194S194-A196 PolarHBondContact O-N 2.87Å; S194-A196 VanDerWaalsContact O-N 3.16Å
197V79.7Confident89.4Confident58 Ų5846.2 Ų46.235%0.35228%0.275SS..SBendtrans-94.8116.9-173.9-177.20000110.5V200 A201V197-V200 PolarHBondContact O-N 2.93Å; V197-A201 WeakPolarHBondContact O-CB 3.33Å; V197-A201 PolarHBondContact O-N 2.86Å
198Y83.3Confident89.3Confident158 Ų15843.1 Ų43.162%0.6226%0.259SS*.THydrogen-bonded Turntrans-87.7147.7175.4-79.5-95.2000111.4A201Y198-A201 HydrophobicContact CD2-CB 4.43Å; Y198-A201 HydrophobicContact CE2-CB 4.3Å
199P85.7Confident89.1Confident42 Ų4247.9 Ų47.927%0.27328%0.282SS..THydrogen-bonded Turncis-82.8-6.14.434.1-35.9000114.8L170 L175 A201 S202L170-P199 HydrophobicContact CD1-CG 3.48Å; L170-P199 VanDerWaalsContact CD1-CG 3.48Å; L175-P199 HydrophobicContact CD1-CG 3.84Å; P199-A201 VanDerWaalsContact C-N 3.33Å; P199-A201 PolarHBondContact O-N 3.13Å; P199-S202 VanDerWaalsContact O-CB 3.24Å; P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 3.19Å; P199-S202 PolarHBondContact O-OG 3.12Å
200V83.3Confident89Confident16 Ų1650.5 Ų50.510%0.09729%0.288CS..Hα-helixtrans-59.7-39.9-170.9-168.60000113.1Q78 L95 V197 S202 F203Q78-V200 HydrophobicContact CG-CB 4.27Å; Q78-V200 HydrophobicContact CG-CG1 3.84Å; Q78-V200 HydrophobicContact CG-CG2 4.1Å; L95-V200 HydrophobicContact CD1-CB 4.17Å; L95-V200 HydrophobicContact CD1-CG1 3.65Å; L95-V200 HydrophobicContact CD1-CG2 3.45Å; L95-V200 VanDerWaalsContact CD1-CG2 3.45Å; V197-V200 PolarHBondContact O-N 2.93Å; V200-S202 PolarHBondContact O-N 3.36Å; V200-S202 VanDerWaalsContact O-N 3.12Å; V200-F203 HydrophobicContact CG1-CD2 4.22Å; V200-F203 HydrophobicContact CG1-CE2 4.47Å; V200-F203 WeakPolarHBondContact O-CB 3.21Å; V200-F203 PolarHBondContact O-N 3.24Å; V200-F203 VanDerWaalsContact O-N 3.13Å
201A85.2Confident89Confident13 Ų1352.8 Ų52.811%0.10731%0.314CS..Hα-helixtrans-58.2-23.9175.300000113.5S195 V197 Y198 P199 F203S195-A201 WeakPolarHBondContact O-CB 3.27Å; V197-A201 WeakPolarHBondContact O-CB 3.33Å; V197-A201 PolarHBondContact O-N 2.86Å; Y198-A201 HydrophobicContact CD2-CB 4.43Å; Y198-A201 HydrophobicContact CE2-CB 4.3Å; P199-A201 VanDerWaalsContact C-N 3.33Å; P199-A201 PolarHBondContact O-N 3.13Å; A201-F203 VanDerWaalsContact C-N 3.35Å
202S90Very high89Confident45 Ų4553 Ų5332%0.31531%0.314SS..Hα-helixtrans-72.2-25.7179760000113.4P199 V200 R205 S206P199-S202 VanDerWaalsContact O-CB 3.24Å; P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 3.19Å; P199-S202 PolarHBondContact O-OG 3.12Å; V200-S202 PolarHBondContact O-N 3.36Å; V200-S202 VanDerWaalsContact O-N 3.12Å; S202-R205 PolarHBondContact O-N 2.84Å; S202-S206 VanDerWaalsContact O-CB 3.26Å; S202-S206 WeakPolarHBondContact O-CB 3.25Å; S202-S206 PolarHBondContact O-N 3.44Å
203F92.6Very high89.2Confident27 Ų2753.2 Ų53.212%0.11831%0.308CS..Hα-helixtrans-62.9-50.1-179.4-62.4-24000111.7L95 L175 A178 V182 V200 A201 R205 S206 L207L95-F203 HydrophobicContact CD1-CE2 4.16Å; L175-F203 HydrophobicContact CD1-CE1 4.47Å; L175-F203 HydrophobicContact CD1-CZ 3.88Å; A178-F203 HydrophobicContact CB-CE2 3.81Å; A178-F203 HydrophobicContact CB-CZ 3.71Å; V182-F203 HydrophobicContact CG1-CB 4.15Å; V182-F203 HydrophobicContact CG1-CD1 4.47Å; V182-F203 HydrophobicContact CG2-CB 3.84Å; V182-F203 HydrophobicContact CG2-CD1 4.16Å; V182-F203 HydrophobicContact CG2-CD2 4.08Å; V182-F203 HydrophobicContact CG2-CG 3.79Å; V200-F203 HydrophobicContact CG1-CD2 4.22Å; V200-F203 HydrophobicContact CG1-CE2 4.47Å; V200-F203 WeakPolarHBondContact O-CB 3.21Å; V200-F203 PolarHBondContact O-N 3.24Å; V200-F203 VanDerWaalsContact O-N 3.13Å; A201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 2.76Å; F203-S206 PolarHBondContact O-N 2.96Å; F203-L207 PolarHBondContact O-N 2.91Å
204T91.5Very high89.6Confident15 Ų1552.3 Ų52.39%0.09230%0.3CS..Hα-helixtrans-56-49.2176.2-60.70000111.4V190 S206 L207 A208 V214 L228V190-T204 HydrophobicContact CG2-CG2 3.65Å; V190-T204 VanDerWaalsContact CG2-OG1 3.29Å; V190-T204 WeakPolarHBondContact CG2-OG1 3.2Å; T204-S206 PolarHBondContact O-N 3.17Å; T204-L207 PolarHBondContact O-N 2.83Å; T204-A208 PolarHBondContact O-N 3.06Å; T204-V214 HydrophobicContact CG2-CG1 4.06Å; T204-L228 HydrophobicContact CG2-CD1 4.24Å; T204-L228 HydrophobicContact CG2-CD2 3.54Å
205R89.6Confident90.1Very high119 Ų11949.5 Ų49.545%0.44928%0.281SS..Hα-helixtrans-65.1-38.6179.4-176.8174.6-111.4-153.9-5.2112.1S202 F203 L207 A208 N209 L227S202-R205 PolarHBondContact O-N 2.84Å; F203-R205 PolarHBondContact O-N 2.76Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.06Å; R205-A208 PolarHBondContact O-N 3.49Å; R205-N209 WeakPolarHBondContact O-CB 3.15Å; R205-N209 PolarHBondContact O-N 3.18Å; R205-N209 PolarHBondContact O-OD1 2.86Å; R205-L227 HydrophobicContact CG-CD1 4.46Å
206S93.2Very high90.9Very high56 Ų5648.6 Ų48.639%0.39228%0.275SS..Hα-helixtrans-63.7-38.5177.6178.20000112.5S202 F203 T204 R210S202-S206 VanDerWaalsContact O-CB 3.26Å; S202-S206 WeakPolarHBondContact O-CB 3.25Å; S202-S206 PolarHBondContact O-N 3.44Å; F203-S206 PolarHBondContact O-N 2.96Å; T204-S206 PolarHBondContact O-N 3.17Å; S206-R210 WeakPolarHBondContact O-CG 3.2Å; S206-R210 PolarHBondContact O-N 3.01Å; S206-R210 PolarHBondContact O-NE 3.36Å
207L95.6Very high91.7Very high3 Ų345.6 Ų45.62%0.01625%0.25CS..Hα-helixtrans-66.9-51174.5-76.6155.1000111.6V182 A185 C188 F203 T204 R205 N209 R210 G211 I212 V214V182-L207 HydrophobicContact CG1-CD1 3.94Å; V182-L207 HydrophobicContact CG1-CG 3.98Å; A185-L207 HydrophobicContact CB-CD2 3.99Å; C188-L207 HydrophobicContact CB-CD1 3.66Å; F203-L207 PolarHBondContact O-N 2.91Å; T204-L207 PolarHBondContact O-N 2.83Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.06Å; L207-N209 VanDerWaalsContact C-N 3.32Å; L207-N209 PolarHBondContact O-N 3.18Å; L207-R210 PolarHBondContact O-N 3.42Å; L207-G211 PolarHBondContact O-N 2.72Å; L207-I212 HydrophobicContact CB-CB 4.26Å; L207-I212 HydrophobicContact CB-CG2 4.5Å; L207-I212 HydrophobicContact CD2-CB 3.94Å; L207-I212 HydrophobicContact CD2-CG1 4.09Å; L207-I212 HydrophobicContact CD2-CG2 3.7Å; L207-I212 WeakPolarHBondContact O-CB 3.33Å; L207-I212 PolarHBondContact O-N 2.65Å; L207-I212 VanDerWaalsContact O-N 3.15Å; L207-V214 HydrophobicContact CB-CG2 3.76Å
208A93.8Very high92.5Very high21 Ų2144 Ų4417%0.17424%0.239CC..Hα-helixtrans-57.9-43.2178.900000112.2T204 R205 R210 G211 V214 L228T204-A208 PolarHBondContact O-N 3.06Å; R205-A208 PolarHBondContact O-N 3.49Å; A208-R210 PolarHBondContact O-N 3.22Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-V214 HydrophobicContact CB-CG2 4.23Å; A208-L228 HydrophobicContact CB-CD2 4.17Å
209N92.8Very high93.1Very high124 Ų12440 Ų4066%0.66323%0.231SC*.Hα-helixtrans-64.8-21.4177.7-73.5-5.9000113.9R205 L207 G211R205-N209 WeakPolarHBondContact O-CB 3.15Å; R205-N209 PolarHBondContact O-N 3.18Å; R205-N209 PolarHBondContact O-OD1 2.86Å; L207-N209 VanDerWaalsContact C-N 3.32Å; L207-N209 PolarHBondContact O-N 3.18Å; N209-G211 VanDerWaalsContact C-N 3.31Å
210R95Very high93.4Very high109 Ų10944.2 Ų44.241%0.41125%0.247SC..THydrogen-bonded Turntrans-88.12.3174-71.8-176.4-65.7154.2-1.4112.9V182 Q183 S206 L207 A208 I212V182-R210 PolarHBondContact O-NH2 2.89Å; Q183-R210 PolarHBondContact O-NH1 3.24Å; S206-R210 WeakPolarHBondContact O-CG 3.2Å; S206-R210 PolarHBondContact O-N 3.01Å; S206-R210 PolarHBondContact O-NE 3.36Å; L207-R210 PolarHBondContact O-N 3.42Å; A208-R210 PolarHBondContact O-N 3.22Å; R210-I212 HydrophobicContact CB-CG1 4.13Å; R210-I212 PolarHBondContact O-N 3.21Å
211G95.4Very high93.9Very high60 Ų6048.3 Ų48.362%0.61927%0.272SS*.THydrogen-bonded Turntrans73.713.4-17500000113.9L207 A208 N209L207-G211 PolarHBondContact O-N 2.72Å; A208-G211 PolarHBondContact O-N 3.44Å; N209-G211 VanDerWaalsContact C-N 3.31Å
212I97.1Very high94.2Very high39 Ų3948.3 Ų48.320%0.227%0.271CS..  trans-72.8131.6175-61.1-56.1000108.9D186 L207 R210 V214D186-I212 VanDerWaalsContact C-CG2 3.45Å; D186-I212 WeakPolarHBondContact O-CG2 3.39Å; L207-I212 HydrophobicContact CB-CB 4.26Å; L207-I212 HydrophobicContact CB-CG2 4.5Å; L207-I212 HydrophobicContact CD2-CB 3.94Å; L207-I212 HydrophobicContact CD2-CG1 4.09Å; L207-I212 HydrophobicContact CD2-CG2 3.7Å; L207-I212 WeakPolarHBondContact O-CB 3.33Å; L207-I212 PolarHBondContact O-N 2.65Å; L207-I212 VanDerWaalsContact O-N 3.15Å; R210-I212 HydrophobicContact CB-CG1 4.13Å; R210-I212 PolarHBondContact O-N 3.21Å; I212-V214 WeakPolarHBondContact O-CG2 3.41Å; I212-V214 PolarHBondContact O-N 3.47Å; I212-V214 VanDerWaalsContact O-N 3.14Å
213P96.1Very high94.1Very high44 Ų4450.9 Ų50.929%0.28629%0.286SS..  trans-57.3117.6176-27.234.8000112.5D186 C188 Y230D186-P213 WeakPolarHBondContact O-CD 3.41Å; C188-P213 PolarHBondContact N-O 3.22Å; P213-Y230 HydrophobicContact CB-CE2 4.48Å
214V96.4Very high94Very high1 Ų150.3 Ų50.31%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-117.9124.6174.1-171.60000109.7C188 V190 T204 L207 A208 I212 L228 Q229 Y230C188-V214 HydrophobicContact CB-CG1 4.24Å; C188-V214 HydrophobicContact CB-CG2 4.17Å; C188-V214 WeakPolarHBondContact O-CA 3.48Å; V190-V214 HydrophobicContact CG2-CG1 3.89Å; T204-V214 HydrophobicContact CG2-CG1 4.06Å; L207-V214 HydrophobicContact CB-CG2 3.76Å; A208-V214 HydrophobicContact CB-CG2 4.23Å; I212-V214 WeakPolarHBondContact O-CG2 3.41Å; I212-V214 PolarHBondContact O-N 3.47Å; I212-V214 VanDerWaalsContact O-N 3.14Å; V214-L228 HydrophobicContact CB-CD2 4.16Å; V214-L228 HydrophobicContact CG1-CD1 4.37Å; V214-L228 HydrophobicContact CG1-CD2 3.94Å; V214-Q229 PolarHBondContact O-N 3.48Å; V214-Y230 PolarHBondContact O-N 3.04Å; V214-Y230 VanDerWaalsContact O-N 3.13Å
215A95.7Very high94.1Very high8 Ų850.5 Ų50.57%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-112.1125.1173.300000111.1C188 L189 V190 I217 Y230 F232C188-A215 PolarHBondContact O-N 3.39Å; L189-A215 CarbonylContact C-O 3.57Å; L189-A215 WeakPolarHBondContact CA-O 3.35Å; L189-A215 HydrophobicContact CD2-CB 3.81Å; V190-A215 PolarHBondContact N-O 3.2Å; A215-I217 HydrophobicContact CB-CD1 4.49Å; A215-Y230 WeakPolarHBondContact CA-O 3.49Å; A215-Y230 HydrophobicContact CB-CD2 4.28Å; A215-Y230 HydrophobicContact CB-CG 4.48Å; A215-F232 HydrophobicContact CB-CD2 4.26Å; A215-F232 HydrophobicContact CB-CE2 3.89Å
216E96.7Very high94.2Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-92.6132.7171.9-176.4179.7-123.600110.7V190 N218 T222 T225 L228 Y230 H231 F232V190-E216 CarbonylContact O-C 3.46Å; V190-E216 WeakPolarHBondContact O-CA 3.47Å; E216-N218 HydrophobicContact CG-CB 4.02Å; E216-T222 WeakPolarHBondContact OE1-CB 3.23Å; E216-T222 WeakPolarHBondContact OE1-CG2 3.26Å; E216-T222 PolarHBondContact OE1-OG1 2.9Å; E216-T225 PolarHBondContact OE1-OG1 3.02Å; E216-T225 WeakPolarHBondContact OE2-CB 3.14Å; E216-T225 WeakPolarHBondContact OE2-CG2 3.25Å; E216-T225 PolarHBondContact OE2-OG1 2.76Å; E216-L228 HydrophobicContact CB-CD1 3.63Å; E216-L228 HydrophobicContact CG-CD1 4.37Å; E216-Y230 PolarHBondContact N-O 2.93Å; E216-H231 CarbonylContact O-C 3.49Å; E216-H231 WeakPolarHBondContact O-CA 3.5Å; E216-H231 IonicContact OE2-CE1 3.44Å; E216-H231 PolarHBondContact OE2-CE1 2.89Å; E216-H231 IonicContact OE2-CG 3.85Å; E216-H231 IonicContact OE2-ND1 2.74Å; E216-H231 PolarHBondContact OE2-ND1 3.4Å; E216-F232 PolarHBondContact O-N 3.36Å
217I97.4Very high94.1Very high0 Ų051.9 Ų51.90%029%0.294CS..EExtended strand (participates in β ladder)trans-117.3102.3171.2-62.179.8000106.7L189 V190 V191 G192 A215 F232 V239 L240 L243L189-I217 HydrophobicContact CB-CD1 4.33Å; L189-I217 HydrophobicContact CD2-CD1 4.26Å; V190-I217 PolarHBondContact O-N 2.96Å; V191-I217 HydrophobicContact CG2-CB 4.48Å; V191-I217 HydrophobicContact CG2-CD1 4.32Å; G192-I217 PolarHBondContact N-O 2.58Å; A215-I217 HydrophobicContact CB-CD1 4.49Å; I217-F232 WeakPolarHBondContact CA-O 3.45Å; I217-F232 HydrophobicContact CD1-CD2 4.43Å; I217-F232 HydrophobicContact CG1-CB 4.28Å; I217-F232 HydrophobicContact CG1-CD2 4.29Å; I217-V239 HydrophobicContact CG1-CG1 3.98Å; I217-V239 HydrophobicContact CG2-CB 3.74Å; I217-V239 HydrophobicContact CG2-CG1 3.74Å; I217-V239 HydrophobicContact CG2-CG2 4.24Å; I217-L240 HydrophobicContact CD1-CD2 4.33Å; I217-L240 HydrophobicContact CG1-CD2 4.2Å; I217-L243 HydrophobicContact CD1-CD2 4.44Å
218N96.4Very high94Very high23 Ų2352.7 Ų52.712%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-149.6154.4-177.1-155.3-9.8000111.9A193 E216 E220 T222 F232 Q233 G234A193-N218 PolarHBondContact O-ND2 3.17Å; E216-N218 HydrophobicContact CG-CB 4.02Å; N218-E220 VanDerWaalsContact C-N 3.32Å; N218-E220 WeakPolarHBondContact CB-O 3.37Å; N218-T222 VanDerWaalsContact ND2-CG2 3.27Å; N218-T222 WeakPolarHBondContact ND2-CG2 3.3Å; N218-F232 PolarHBondContact N-O 3.02Å; N218-Q233 CarbonylContact O-C 3.57Å; N218-Q233 VanDerWaalsContact O-CA 3.28Å; N218-Q233 WeakPolarHBondContact O-CA 3.26Å; N218-G234 CarbonylContact C-O 3.31Å; N218-G234 VanDerWaalsContact C-O 3.31Å; N218-G234 PolarHBondContact O-N 3.35Å
219V95.6Very high94.1Very high74 Ų7456.8 Ų56.845%0.44832%0.315SS..SBendtrans-72.7-33.8177.7179.10000110.7Q233 G234 K235V219-Q233 WeakPolarHBondContact O-CG 3.35Å; V219-Q233 PolarHBondContact O-NE2 2.91Å; V219-Q233 VanDerWaalsContact O-NE2 3.12Å; V219-G234 PolarHBondContact N-O 3.49Å; V219-K235 HydrophobicContact CG2-CG 4.13Å
220E93.1Very high94.2Very high131 Ų13156.3 Ų56.361%0.61230%0.304SS*.SBendtrans-118.8153-177.4-64.8171.717900110.2N218N218-E220 VanDerWaalsContact C-N 3.32Å; N218-E220 WeakPolarHBondContact CB-O 3.37Å
221V93.6Very high94.3Very high103 Ų10353.8 Ų53.862%0.62430%0.297SS*.  trans-69139.4168.2175.50000108.9T225V221-T225 HydrophobicContact CG1-CG2 4.04Å
222T91.4Very high94.3Very high12 Ų1254.6 Ų54.67%0.07428%0.284CS..  trans-109.3165178.576.20000111.1A193 E216 N218 A224 T225A193-T222 WeakPolarHBondContact O-CG2 3.39Å; E216-T222 WeakPolarHBondContact OE1-CB 3.23Å; E216-T222 WeakPolarHBondContact OE1-CG2 3.26Å; E216-T222 PolarHBondContact OE1-OG1 2.9Å; N218-T222 VanDerWaalsContact ND2-CG2 3.27Å; N218-T222 WeakPolarHBondContact ND2-CG2 3.3Å; T222-A224 PolarHBondContact O-N 2.82Å; T222-A224 PolarHBondContact OG1-N 3.14Å; T222-T225 PolarHBondContact N-OG1 3.39Å; T222-T225 WeakPolarHBondContact O-CB 3.34Å; T222-T225 PolarHBondContact O-N 3.4Å; T222-T225 VanDerWaalsContact O-N 3.1Å; T222-T225 PolarHBondContact O-OG1 2.89Å; T222-T225 PolarHBondContact OG1-N 2.85Å; T222-T225 PolarHBondContact OG1-OG1 2.91Å
223P88.3Confident94.3Very high99 Ų9959.5 Ų59.564%0.64331%0.306SS*.THydrogen-bonded Turntrans-57.1-19.4171.8-26.236.1000113.9H226P223-H226 PolarHBondContact O-CE1 2.87Å; P223-H226 PolarHBondContact O-ND1 2.84Å
224A89.5Confident94.3Very high15 Ų1558.4 Ų58.412%0.12430%0.302CS..THydrogen-bonded Turntrans-90.6-20.1178.700000113.6T222 H226 L227 L228T222-A224 PolarHBondContact O-N 2.82Å; T222-A224 PolarHBondContact OG1-N 3.14Å; A224-H226 VanDerWaalsContact C-N 3.27Å; A224-H226 PolarHBondContact O-N 3.4Å; A224-H226 VanDerWaalsContact O-N 3.11Å; A224-L227 VanDerWaalsContact O-CB 3.3Å; A224-L227 WeakPolarHBondContact O-CB 3.37Å; A224-L227 PolarHBondContact O-N 3.07Å; A224-L228 WeakPolarHBondContact O-CG 3.46Å
225T93.3Very high94.3Very high20 Ų2064.9 Ų64.912%0.12333%0.33CS..G310 helixtrans-51.4-41.9-169.9-55.70000113.6E216 V221 T222 L227 L228 H231E216-T225 PolarHBondContact OE1-OG1 3.02Å; E216-T225 WeakPolarHBondContact OE2-CB 3.14Å; E216-T225 WeakPolarHBondContact OE2-CG2 3.25Å; E216-T225 PolarHBondContact OE2-OG1 2.76Å; V221-T225 HydrophobicContact CG1-CG2 4.04Å; T222-T225 PolarHBondContact N-OG1 3.39Å; T222-T225 WeakPolarHBondContact O-CB 3.34Å; T222-T225 PolarHBondContact O-N 3.4Å; T222-T225 VanDerWaalsContact O-N 3.1Å; T222-T225 PolarHBondContact O-OG1 2.89Å; T222-T225 PolarHBondContact OG1-N 2.85Å; T222-T225 PolarHBondContact OG1-OG1 2.91Å; T225-L227 PolarHBondContact O-N 3.42Å; T225-L227 VanDerWaalsContact O-N 3.12Å; T225-L228 PolarHBondContact O-N 3.24Å; T225-L228 VanDerWaalsContact O-N 3.07Å; T225-H231 HydrophobicContact CG2-CB 3.82Å
226H92.7Very high94.4Very high148 Ų14864.9 Ų64.969%0.68533%0.33SS*.G310 helixtrans-66-12.6-179.269.7-85.9000114.5P223 A224P223-H226 PolarHBondContact O-CE1 2.87Å; P223-H226 PolarHBondContact O-ND1 2.84Å; A224-H226 VanDerWaalsContact C-N 3.27Å; A224-H226 PolarHBondContact O-N 3.4Å; A224-H226 VanDerWaalsContact O-N 3.11Å
227L91.1Very high94.4Very high55 Ų5565.6 Ų65.629%0.28834%0.337SS..G310 helixtrans-94.3-9.9177.4-54.8172.1000112.4R205 A224 T225R205-L227 HydrophobicContact CG-CD1 4.46Å; A224-L227 VanDerWaalsContact O-CB 3.3Å; A224-L227 WeakPolarHBondContact O-CB 3.37Å; A224-L227 PolarHBondContact O-N 3.07Å; T225-L227 PolarHBondContact O-N 3.42Å; T225-L227 VanDerWaalsContact O-N 3.12Å
228L93.9Very high94.4Very high21 Ų2170.1 Ų70.111%0.1136%0.361CS..SBendtrans-100.6152.1-169.5-47-178.8000110.7T204 A208 V214 E216 A224 T225T204-L228 HydrophobicContact CG2-CD1 4.24Å; T204-L228 HydrophobicContact CG2-CD2 3.54Å; A208-L228 HydrophobicContact CB-CD2 4.17Å; V214-L228 HydrophobicContact CB-CD2 4.16Å; V214-L228 HydrophobicContact CG1-CD1 4.37Å; V214-L228 HydrophobicContact CG1-CD2 3.94Å; E216-L228 HydrophobicContact CB-CD1 3.63Å; E216-L228 HydrophobicContact CG-CD1 4.37Å; A224-L228 WeakPolarHBondContact O-CG 3.46Å; T225-L228 PolarHBondContact O-N 3.24Å; T225-L228 VanDerWaalsContact O-N 3.07Å
229Q94.4Very high94.5Very high107 Ų10770.1 Ų70.150%0.536%0.362SS..SBendtrans-72.9-33.8-177.9-171.2174-10.900112.1V214V214-Q229 PolarHBondContact O-N 3.48Å
230Y95.7Very high94.6Very high113 Ų11366.7 Ų66.744%0.44334%0.341SS..EExtended strand (participates in β ladder)trans-135.4144.2-178.6-51.4-78.8000111.7P213 V214 A215 E216P213-Y230 HydrophobicContact CB-CE2 4.48Å; V214-Y230 PolarHBondContact O-N 3.04Å; V214-Y230 VanDerWaalsContact O-N 3.13Å; A215-Y230 WeakPolarHBondContact CA-O 3.49Å; A215-Y230 HydrophobicContact CB-CD2 4.28Å; A215-Y230 HydrophobicContact CB-CG 4.48Å; E216-Y230 PolarHBondContact N-O 2.93Å
231H96.3Very high94.7Very high57 Ų5762.1 Ų62.126%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-133.9120.9169.4175.881.8000109.1E216 T225E216-H231 CarbonylContact O-C 3.49Å; E216-H231 WeakPolarHBondContact O-CA 3.5Å; E216-H231 IonicContact OE2-CE1 3.44Å; E216-H231 PolarHBondContact OE2-CE1 2.89Å; E216-H231 IonicContact OE2-CG 3.85Å; E216-H231 IonicContact OE2-ND1 2.74Å; E216-H231 PolarHBondContact OE2-ND1 3.4Å; T225-H231 HydrophobicContact CG2-CB 3.82Å
232F96.5Very high94.9Very high77 Ų7764.4 Ų64.434%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-108.8103.8174.6-60.3-78.5000108.9A215 E216 I217 N218 G234 V239 L243A215-F232 HydrophobicContact CB-CD2 4.26Å; A215-F232 HydrophobicContact CB-CE2 3.89Å; E216-F232 PolarHBondContact O-N 3.36Å; I217-F232 WeakPolarHBondContact CA-O 3.45Å; I217-F232 HydrophobicContact CD1-CD2 4.43Å; I217-F232 HydrophobicContact CG1-CB 4.28Å; I217-F232 HydrophobicContact CG1-CD2 4.29Å; N218-F232 PolarHBondContact N-O 3.02Å; F232-G234 PolarHBondContact O-N 3.1Å; F232-V239 HydrophobicContact CB-CG1 3.75Å; F232-V239 HydrophobicContact CG-CG1 4.36Å; F232-L243 HydrophobicContact CE2-CD1 4.3Å; F232-L243 HydrophobicContact CZ-CD1 4.18Å
233Q96.6Very high95Very high141 Ų14165.2 Ų65.266%0.65933%0.328SS*.EExtended strand (participates in β ladder)trans-74124.3-179-165.1176.62.300111N218 V219N218-Q233 CarbonylContact O-C 3.57Å; N218-Q233 VanDerWaalsContact O-CA 3.28Å; N218-Q233 WeakPolarHBondContact O-CA 3.26Å; V219-Q233 WeakPolarHBondContact O-CG 3.35Å; V219-Q233 PolarHBondContact O-NE2 2.91Å; V219-Q233 VanDerWaalsContact O-NE2 3.12Å
234G96.3Very high95.3Very high21 Ų2161.2 Ų61.222%0.21630%0.3CS..SBendtrans152.5178.1174.700000114.6N218 V219 F232N218-G234 CarbonylContact C-O 3.31Å; N218-G234 VanDerWaalsContact C-O 3.31Å; N218-G234 PolarHBondContact O-N 3.35Å; V219-G234 PolarHBondContact N-O 3.49Å; F232-G234 PolarHBondContact O-N 3.1Å
235K96.3Very high95.4Very high138 Ų13866.9 Ų66.960%0.633%0.329SS*.  trans-71.2135.3173.5-63.6177.2-179.4176.30108.9V219 G237 D238 V239V219-K235 HydrophobicContact CG2-CG 4.13Å; K235-G237 PolarHBondContact O-N 3.26Å; K235-D238 WeakPolarHBondContact CB-OD2 3.45Å; K235-D238 PolarHBondContact O-N 2.81Å; K235-V239 PolarHBondContact O-N 3.43Å; K235-V239 VanDerWaalsContact O-N 3.1Å
236S96.8Very high95.1Very high8 Ų870 Ų706%0.05635%0.351CS..Hα-helixtrans-53.8-31.9177.561.40000113.9D238 L240S236-D238 VanDerWaalsContact C-N 3.28Å; S236-D238 PolarHBondContact O-N 3.11Å; S236-L240 VanDerWaalsContact O-CB 3.27Å; S236-L240 WeakPolarHBondContact O-CB 3.17Å; S236-L240 WeakPolarHBondContact O-CG 3.21Å; S236-L240 PolarHBondContact O-N 2.99Å
237G97.4Very high94.7Very high14 Ų1466.8 Ų66.814%0.14434%0.339CS..Hα-helixtrans-67.7-23.2176.600000115A54 K235 P241A54-G237 WeakPolarHBondContact CB-O 3.37Å; K235-G237 PolarHBondContact O-N 3.26Å; G237-P241 WeakPolarHBondContact O-CD 3.34Å; G237-P241 WeakPolarHBondContact O-CG 3.48Å
238D97.4Very high93.9Very high95 Ų9570.1 Ų70.151%0.50836%0.362SS..Hα-helixtrans-97.7-33.4179.9-55.4-38.2000111.4K235 S236 K242K235-D238 WeakPolarHBondContact CB-OD2 3.45Å; K235-D238 PolarHBondContact O-N 2.81Å; S236-D238 VanDerWaalsContact C-N 3.28Å; S236-D238 PolarHBondContact O-N 3.11Å; D238-K242 WeakPolarHBondContact O-CD 3.34Å
239V97.5Very high92.9Very high24 Ų2471.3 Ų71.315%0.14537%0.368CS..Hα-helixtrans-83.7-47.1-174.9177.30000112I217 F232 K235 K242 L243I217-V239 HydrophobicContact CG1-CG1 3.98Å; I217-V239 HydrophobicContact CG2-CB 3.74Å; I217-V239 HydrophobicContact CG2-CG1 3.74Å; I217-V239 HydrophobicContact CG2-CG2 4.24Å; F232-V239 HydrophobicContact CB-CG1 3.75Å; F232-V239 HydrophobicContact CG-CG1 4.36Å; K235-V239 PolarHBondContact O-N 3.43Å; K235-V239 VanDerWaalsContact O-N 3.1Å; V239-K242 PolarHBondContact O-N 3.35Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 PolarHBondContact O-N 2.69Å
240L97.8Very high91.3Very high1 Ų174.2 Ų74.21%0.00539%0.393CS..Hα-helixtrans-63.1-44.2-172.4-70.1171.7000113.9A58 L59 L189 V191 I217 S236 K242 L243 F244A58-L240 HydrophobicContact CB-CB 3.99Å; L59-L240 HydrophobicContact CD1-CD1 4.23Å; L59-L240 HydrophobicContact CD2-CD1 4.31Å; L59-L240 HydrophobicContact CG-CD1 4.03Å; L189-L240 HydrophobicContact CD1-CD2 4.5Å; V191-L240 HydrophobicContact CG1-CD1 3.9Å; V191-L240 HydrophobicContact CG2-CD1 4.33Å; V191-L240 HydrophobicContact CG2-CD2 4.15Å; I217-L240 HydrophobicContact CD1-CD2 4.33Å; I217-L240 HydrophobicContact CG1-CD2 4.2Å; S236-L240 VanDerWaalsContact O-CB 3.27Å; S236-L240 WeakPolarHBondContact O-CB 3.17Å; S236-L240 WeakPolarHBondContact O-CG 3.21Å; S236-L240 PolarHBondContact O-N 2.99Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.48Å; L240-L243 PolarHBondContact O-N 3.36Å; L240-F244 HydrophobicContact CB-CD2 4.44Å; L240-F244 HydrophobicContact CB-CE2 4.33Å; L240-F244 HydrophobicContact CD2-CE2 4.07Å; L240-F244 WeakPolarHBondContact O-CD2 3.29Å; L240-F244 PolarHBondContact O-N 2.96Å
241P97.1Very high91.1Very high35 Ų3572.3 Ų72.323%0.22739%0.391CS..Hα-helixtrans-55.9-49.9176.1-24.233.3000111.8A54 A58 G237 L243 F244 D245A54-P241 HydrophobicContact CB-CG 4.3Å; A58-P241 HydrophobicContact CB-CB 4.49Å; A58-P241 HydrophobicContact CB-CG 4.04Å; G237-P241 WeakPolarHBondContact O-CD 3.34Å; G237-P241 WeakPolarHBondContact O-CG 3.48Å; P241-L243 VanDerWaalsContact C-N 3.31Å; P241-L243 PolarHBondContact O-N 3.02Å; P241-F244 PolarHBondContact O-N 2.71Å; P241-D245 WeakPolarHBondContact O-CB 3.39Å; P241-D245 PolarHBondContact O-N 3.37Å
242K96.2Very high90.8Very high152 Ų15273.1 Ų73.166%0.66140%0.397SS*.Hα-helixtrans-61.6-39.2179.5-62.7178.3-175.91770112.6D238 V239 L240 S246D238-K242 WeakPolarHBondContact O-CD 3.34Å; V239-K242 PolarHBondContact O-N 3.35Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.48Å; K242-S246 WeakPolarHBondContact O-CB 3.36Å; K242-S246 PolarHBondContact O-N 2.98Å; K242-S246 PolarHBondContact O-OG 2.75Å
243L94.8Very high90.5Very high29 Ų2972.8 Ų72.815%0.15240%0.4CS..Hα-helixtrans-61.6-52177.8-17865000110.2L189 I217 F232 V239 L240 P241 S246 L247L189-L243 HydrophobicContact CD1-CD2 4.42Å; L189-L243 HydrophobicContact CD2-CD2 4.34Å; I217-L243 HydrophobicContact CD1-CD2 4.44Å; F232-L243 HydrophobicContact CE2-CD1 4.3Å; F232-L243 HydrophobicContact CZ-CD1 4.18Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 PolarHBondContact O-N 2.69Å; L240-L243 PolarHBondContact O-N 3.36Å; P241-L243 VanDerWaalsContact C-N 3.31Å; P241-L243 PolarHBondContact O-N 3.02Å; L243-S246 PolarHBondContact O-N 3.43Å; L243-S246 PolarHBondContact O-OG 2.87Å; L243-L247 WeakPolarHBondContact O-CG 3.43Å; L243-L247 PolarHBondContact O-N 3.23Å
244F94.6Very high90.2Very high14 Ų1468.8 Ų68.86%0.06139%0.385CS..Hα-helixtrans-69.8-36-179.2-68.6-61000113.3A58 L59 A62 Y66 F73 L189 L240 P241 S246 L247A58-F244 HydrophobicContact CB-CD2 4.15Å; L59-F244 HydrophobicContact CD2-CE2 4.01Å; L59-F244 HydrophobicContact CD2-CZ 4.11Å; A62-F244 HydrophobicContact CB-CD1 3.69Å; A62-F244 HydrophobicContact CB-CD2 4Å; A62-F244 HydrophobicContact CB-CE1 3.59Å; A62-F244 HydrophobicContact CB-CE2 3.9Å; A62-F244 HydrophobicContact CB-CG 3.91Å; A62-F244 HydrophobicContact CB-CZ 3.7Å; Y66-F244 HydrophobicContact CE2-CD1 4.48Å; Y66-F244 HydrophobicContact CE2-CE1 4.48Å; F73-F244 HydrophobicContact CE2-CE1 4.25Å; F73-F244 HydrophobicContact CE2-CZ 4.24Å; F73-F244 HydrophobicContact CZ-CZ 4.15Å; L189-F244 HydrophobicContact CD1-CE1 4.16Å; L189-F244 HydrophobicContact CD1-CZ 3.66Å; L240-F244 HydrophobicContact CB-CD2 4.44Å; L240-F244 HydrophobicContact CB-CE2 4.33Å; L240-F244 HydrophobicContact CD2-CE2 4.07Å; L240-F244 WeakPolarHBondContact O-CD2 3.29Å; L240-F244 PolarHBondContact O-N 2.96Å; P241-F244 PolarHBondContact O-N 2.71Å; F244-S246 PolarHBondContact O-N 2.84Å; F244-L247 HydrophobicContact CD1-CD1 4.09Å; F244-L247 PolarHBondContact O-N 3.34Å; F244-L247 VanDerWaalsContact O-N 3.09Å
245D90.1Very high89.8Confident135 Ų13571.8 Ų71.872%0.72240%0.396SS*.Hα-helixtrans-62.5-28.7175.7-68.3-18.5000112.3P241P241-D245 WeakPolarHBondContact O-CB 3.39Å; P241-D245 PolarHBondContact O-N 3.37Å
246S86.6Confident89.3Confident85 Ų8567.4 Ų67.459%0.59438%0.382SS*.THydrogen-bonded Turntrans-81.7-13.6177.573.80000114.2K242 L243 F244K242-S246 WeakPolarHBondContact O-CB 3.36Å; K242-S246 PolarHBondContact O-N 2.98Å; K242-S246 PolarHBondContact O-OG 2.75Å; L243-S246 PolarHBondContact O-N 3.43Å; L243-S246 PolarHBondContact O-OG 2.87Å; F244-S246 PolarHBondContact O-N 2.84Å
247L85Confident88.8Confident81 Ų8171.6 Ų71.642%0.42441%0.406SS..  trans-90.7117.5-177.6-69.2170.9000110L243 F244L243-L247 WeakPolarHBondContact O-CG 3.43Å; L243-L247 PolarHBondContact O-N 3.23Å; F244-L247 HydrophobicContact CD1-CD1 4.09Å; F244-L247 PolarHBondContact O-N 3.34Å; F244-L247 VanDerWaalsContact O-N 3.09Å
248T73.9Confident88.2Confident124 Ų12476.1 Ų76.176%0.76143%0.426SS*.  trans-85.5116.1167.9-48.80000108.8T250T248-T250 PolarHBondContact O-N 3.06Å; T248-T250 VanDerWaalsContact O-N 3.1Å
249L74.1Confident87.4Confident46 Ų4674.5 Ų74.524%0.24142%0.419CS..  trans-72.799.1169.4-72.4173.4000108.5Q65 Y66Q65-L249 HydrophobicContact CB-CD1 3.64Å; Y66-L249 HydrophobicContact CD1-CD2 3.85Å; Y66-L249 HydrophobicContact CD2-CD1 4.02Å; Y66-L249 HydrophobicContact CD2-CD2 3.99Å; Y66-L249 HydrophobicContact CE1-CD2 3.55Å; Y66-L249 HydrophobicContact CE2-CD1 4.26Å; Y66-L249 HydrophobicContact CE2-CD2 3.75Å; Y66-L249 HydrophobicContact CE2-CG 4.38Å; Y66-L249 HydrophobicContact CG-CD1 4.43Å; Y66-L249 HydrophobicContact CG-CD2 4.08Å
250T60.9Low86.5Confident168 Ų16879.1 Ų79.1100%1.03144%0.444SS*.  trans-78.30170.459.90000111.8R71 T248R71-T250 PolarHBondContact NH2-O 3.04Å; T248-T250 PolarHBondContact O-N 3.06Å; T248-T250 VanDerWaalsContact O-N 3.1Å

Retrieved 250 of 250 residues in 176.9 ms (Link to these results)

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