A0A077Z4E9_TRITR Loading...

Serine

AlphaFold DB , UniProt , Accession A0A077Z4E9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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
1M45.3Very low68.5Low63 Ų6392.6 Ų92.631%0.3143%0.433SS..  01300-171.8-156.5-4500107.2L3 F8 Q74 F79M1-L3 HydrophobicContact CG-CG 4.45Å; M1-L3 HydrophobicContact SD-CD1 3.59Å; M1-L3 VanDerWaalsContact SD-CD1 3.59Å; M1-L3 HydrophobicContact SD-CD2 4.43Å; M1-L3 HydrophobicContact SD-CG 3.67Å; M1-F8 HydrophobicContact CB-CE1 4.21Å; M1-F8 HydrophobicContact CE-CE1 3.82Å; M1-F8 HydrophobicContact CE-CE2 4.37Å; M1-F8 HydrophobicContact CE-CZ 3.38Å; M1-F8 PolarHBondContact N-O 3.22Å; M1-F8 VanDerWaalsContact N-O 3.08Å; M1-F8 HydrophobicContact SD-CE1 4.25Å; M1-F8 HydrophobicContact SD-CZ 4.38Å; M1-Q74 PolarHBondContact SD-OE1 3.5Å; M1-F79 HydrophobicContact CE-CD1 3.86Å; M1-F79 HydrophobicContact CE-CD2 4.43Å; M1-F79 HydrophobicContact CE-CE1 3.29Å; M1-F79 HydrophobicContact CE-CE2 3.96Å; M1-F79 HydrophobicContact CE-CG 4.38Å; M1-F79 HydrophobicContact CE-CZ 3.34Å
2Q49.5Very low69.4Low184 Ų18490.9 Ų90.986%0.8643%0.429SS*.EExtended strand (participates in β ladder)trans-101.485.5171-78.7177.9-21.600107.5
3L61.3Low69.8Low38 Ų3890.5 Ų90.520%0.19945%0.45CS..EExtended strand (participates in β ladder)trans-68.8137150.9-70.1158.2000104.3M1 N5 L6 F72M1-L3 HydrophobicContact CG-CG 4.45Å; M1-L3 HydrophobicContact SD-CD1 3.59Å; M1-L3 VanDerWaalsContact SD-CD1 3.59Å; M1-L3 HydrophobicContact SD-CD2 4.43Å; M1-L3 HydrophobicContact SD-CG 3.67Å; L3-N5 PolarHBondContact O-N 3.14Å; L3-L6 HydrophobicContact CB-CB 4.12Å; L3-L6 HydrophobicContact CD1-CD2 3.98Å; L3-L6 PolarHBondContact O-N 3.43Å; L3-F72 HydrophobicContact CD1-CB 4.12Å; L3-F72 HydrophobicContact CD1-CD1 4.46Å; L3-F72 HydrophobicContact CD1-CD2 3.73Å; L3-F72 HydrophobicContact CD1-CE2 4.21Å; L3-F72 HydrophobicContact CD1-CG 3.85Å; L3-F72 HydrophobicContact CD2-CB 4.21Å; L3-F72 HydrophobicContact CD2-CD1 3.94Å; L3-F72 HydrophobicContact CD2-CE1 4.48Å; L3-F72 HydrophobicContact CD2-CG 4.02Å
4E64.1Low70.5Confident191 Ų19191.1 Ų91.189%0.89347%0.468SS*.THydrogen-bonded Turntrans-48-13.6-157.8-71.2-179.5156.700117.4
5N76.6Confident71.4Confident91 Ų9185.9 Ų85.949%0.48744%0.443SS..THydrogen-bonded Turntrans-138.118176-66-63.5000114.8L3 R30 T31L3-N5 PolarHBondContact O-N 3.14Å; N5-R30 CarbonylContact O-C 3.53Å; N5-R30 VanDerWaalsContact O-CA 3.24Å; N5-R30 WeakPolarHBondContact O-CA 3.3Å; N5-T31 WeakPolarHBondContact CB-O 3.47Å; N5-T31 PolarHBondContact O-N 2.95Å
6L80.2Confident72.3Confident7 Ų786.3 Ų86.34%0.03744%0.44CS..EExtended strand (participates in β ladder)trans-126.4119.9-175.7-168.272.8000110.6L3 F8 A28 K29 R30 V39 V41 V81L3-L6 HydrophobicContact CB-CB 4.12Å; L3-L6 HydrophobicContact CD1-CD2 3.98Å; L3-L6 PolarHBondContact O-N 3.43Å; L6-F8 HydrophobicContact CD2-CD1 3.87Å; L6-F8 HydrophobicContact CD2-CE1 3.73Å; L6-F8 HydrophobicContact CG-CD1 4Å; L6-F8 HydrophobicContact CG-CE1 4.35Å; L6-A28 HydrophobicContact CD1-CB 3.84Å; L6-A28 HydrophobicContact CG-CB 4.28Å; L6-K29 WeakPolarHBondContact CA-O 3.36Å; L6-R30 HydrophobicContact CD1-CB 4.14Å; L6-V39 HydrophobicContact CD1-CG2 3.65Å; L6-V41 HydrophobicContact CD1-CG2 4.1Å; L6-V41 HydrophobicContact CD2-CG2 3.78Å; L6-V41 HydrophobicContact CG-CG2 4.34Å; L6-V81 HydrophobicContact CD1-CG1 4.38Å; L6-V81 HydrophobicContact CD1-CG2 4.45Å; L6-V81 HydrophobicContact CD2-CG2 3.87Å
7I76.9Confident73.2Confident93 Ų9386.6 Ų86.648%0.47744%0.443SS..EExtended strand (participates in β ladder)trans-109.3109.9179-56.5171.3000108K29I7-K29 PolarHBondContact N-O 3.31Å; I7-K29 PolarHBondContact O-N 3.35Å
8F77Confident73.6Confident13 Ų1383.4 Ų83.46%0.05744%0.435CS..  trans-150.6144.7164.574.2-69.9000111.1M1 L6 E10 F26 A28 V41 F79M1-F8 HydrophobicContact CB-CE1 4.21Å; M1-F8 HydrophobicContact CE-CE1 3.82Å; M1-F8 HydrophobicContact CE-CE2 4.37Å; M1-F8 HydrophobicContact CE-CZ 3.38Å; M1-F8 PolarHBondContact N-O 3.22Å; M1-F8 VanDerWaalsContact N-O 3.08Å; M1-F8 HydrophobicContact SD-CE1 4.25Å; M1-F8 HydrophobicContact SD-CZ 4.38Å; L6-F8 HydrophobicContact CD2-CD1 3.87Å; L6-F8 HydrophobicContact CD2-CE1 3.73Å; L6-F8 HydrophobicContact CG-CD1 4Å; L6-F8 HydrophobicContact CG-CE1 4.35Å; F8-E10 HydrophobicContact CD2-CG 4.04Å; F8-E10 HydrophobicContact CE2-CG 3.5Å; F8-E10 HydrophobicContact CZ-CG 4.38Å; F8-F26 HydrophobicContact CD2-CB 4.13Å; F8-F26 HydrophobicContact CD2-CG 4.35Å; F8-F26 HydrophobicContact CE2-CD2 4.35Å; F8-A28 HydrophobicContact CB-CB 3.61Å; F8-A28 HydrophobicContact CD1-CB 4.36Å; F8-A28 HydrophobicContact CG-CB 4.16Å; F8-V41 HydrophobicContact CE1-CG1 4.16Å; F8-V41 HydrophobicContact CE2-CG1 4.19Å; F8-V41 HydrophobicContact CZ-CG1 3.83Å; F8-F79 HydrophobicContact CZ-CD1 4.03Å; F8-F79 HydrophobicContact CZ-CE1 4.05Å
9D72.6Confident74Confident65 Ų6589.8 Ų89.835%0.34845%0.453SS..  trans-107112.3170.6-165.4-16.9000108.8R11 D12D9-R11 PolarHBondContact O-N 3.29Å; D9-R11 VanDerWaalsContact O-N 3.16Å; D9-R11 VanDerWaalsContact OD1-CB 3.25Å; D9-R11 WeakPolarHBondContact OD1-CB 3.42Å; D9-R11 IonicContact OD1-CZ 2.65Å; D9-R11 PolarHBondContact OD1-N 3.36Å; D9-R11 IonicContact OD1-NE 3.53Å; D9-R11 PolarHBondContact OD1-NE 3.49Å; D9-R11 VanDerWaalsContact OD1-NE 3.11Å; D9-R11 IonicContact OD1-NH2 2.78Å; D9-R11 IonicContact OD2-CZ 3.5Å; D9-R11 IonicContact OD2-NE 2.63Å; D9-R11 IonicContact OD2-NH2 3.35Å; D9-R11 PolarHBondContact OD2-NH2 3.07Å; D9-D12 HydrophobicContact CB-CB 4.06Å; D9-D12 WeakPolarHBondContact O-CB 3.4Å; D9-D12 PolarHBondContact O-N 3.43Å
10E75.4Confident73.8Confident66 Ų6687.4 Ų87.431%0.30845%0.452SS..THydrogen-bonded Turntrans-60.3-21174.7-68.3-171.5-132.100112.7F8 F26 K43F8-E10 HydrophobicContact CD2-CG 4.04Å; F8-E10 HydrophobicContact CE2-CG 3.5Å; F8-E10 HydrophobicContact CZ-CG 4.38Å; E10-F26 HydrophobicContact CB-CE1 4.33Å; E10-F26 HydrophobicContact CB-CZ 4.33Å; E10-F26 HydrophobicContact CG-CE2 4.43Å; E10-F26 HydrophobicContact CG-CZ 4.29Å; E10-K43 IonicContact OE1-NZ 3.48Å; E10-K43 PolarHBondContact OE1-NZ 2.9Å; E10-K43 VanDerWaalsContact OE2-CD 3.28Å; E10-K43 WeakPolarHBondContact OE2-CD 3.44Å; E10-K43 IonicContact OE2-NZ 3.87Å; E10-K43 PolarHBondContact OE2-NZ 3.46Å
11R74.8Confident73.5Confident208 Ų20887.8 Ų87.879%0.78547%0.468SS*.THydrogen-bonded Turntrans-85.2-14.6178.5-57.4170.9-64.9177.47112.5D9 A13D9-R11 PolarHBondContact O-N 3.29Å; D9-R11 VanDerWaalsContact O-N 3.16Å; D9-R11 VanDerWaalsContact OD1-CB 3.25Å; D9-R11 WeakPolarHBondContact OD1-CB 3.42Å; D9-R11 IonicContact OD1-CZ 2.65Å; D9-R11 PolarHBondContact OD1-N 3.36Å; D9-R11 IonicContact OD1-NE 3.53Å; D9-R11 PolarHBondContact OD1-NE 3.49Å; D9-R11 VanDerWaalsContact OD1-NE 3.11Å; D9-R11 IonicContact OD1-NH2 2.78Å; D9-R11 IonicContact OD2-CZ 3.5Å; D9-R11 IonicContact OD2-NE 2.63Å; D9-R11 IonicContact OD2-NH2 3.35Å; D9-R11 PolarHBondContact OD2-NH2 3.07Å; R11-A13 PolarHBondContact O-N 2.95Å; R11-A13 VanDerWaalsContact O-N 3.16Å
12D79.2Confident74.6Confident72 Ų7286.9 Ų86.939%0.38546%0.462SS..  trans-76.5102.7174.2-176.70.4000109.4D9 S14 A15D9-D12 HydrophobicContact CB-CB 4.06Å; D9-D12 WeakPolarHBondContact O-CB 3.4Å; D9-D12 PolarHBondContact O-N 3.43Å; D12-S14 PolarHBondContact O-N 3.4Å; D12-S14 VanDerWaalsContact OD1-CB 3.28Å; D12-S14 WeakPolarHBondContact OD1-CB 3.37Å; D12-S14 PolarHBondContact OD1-N 3.48Å; D12-S14 PolarHBondContact OD1-OG 2.89Å; D12-S14 PolarHBondContact OD2-OG 3.44Å; D12-S14 VanDerWaalsContact OD2-OG 3.05Å; D12-A15 HydrophobicContact CB-CB 4.08Å; D12-A15 WeakPolarHBondContact O-CB 3.37Å; D12-A15 PolarHBondContact O-N 2.93Å
13A74.7Confident76.1Confident85 Ų8579.1 Ų79.170%0.70243%0.431SS*.G310 helixtrans-60.2-27.5177.800000112.4R11 A15 K16R11-A13 PolarHBondContact O-N 2.95Å; R11-A13 VanDerWaalsContact O-N 3.16Å; A13-A15 VanDerWaalsContact C-N 3.27Å; A13-A15 PolarHBondContact O-N 3.25Å; A13-K16 PolarHBondContact O-N 2.94Å
14S79.9Confident77.3Confident100 Ų10078.4 Ų78.470%0.69943%0.43SS*.G310 helixtrans-71.8-23.6177.478.80000112.6D12 K16D12-S14 PolarHBondContact O-N 3.4Å; D12-S14 VanDerWaalsContact OD1-CB 3.28Å; D12-S14 WeakPolarHBondContact OD1-CB 3.37Å; D12-S14 PolarHBondContact OD1-N 3.48Å; D12-S14 PolarHBondContact OD1-OG 2.89Å; D12-S14 PolarHBondContact OD2-OG 3.44Å; D12-S14 VanDerWaalsContact OD2-OG 3.05Å; S14-K16 VanDerWaalsContact C-N 3.33Å
15A83.8Confident78.6Confident12 Ų1271 Ų7110%0.09940%0.397CS..G310 helixtrans-78.6-16.817400000112.4D12 A13 L17 F26 R27D12-A15 HydrophobicContact CB-CB 4.08Å; D12-A15 WeakPolarHBondContact O-CB 3.37Å; D12-A15 PolarHBondContact O-N 2.93Å; A13-A15 VanDerWaalsContact C-N 3.27Å; A13-A15 PolarHBondContact O-N 3.25Å; A15-L17 PolarHBondContact O-N 3.49Å; A15-F26 CarbonylContact O-C 3.57Å; A15-F26 VanDerWaalsContact O-CA 3.24Å; A15-F26 WeakPolarHBondContact O-CA 3.32Å; A15-R27 PolarHBondContact O-N 2.95Å
16K86.3Confident79.3Confident92 Ų9267.1 Ų67.140%0.438%0.376SS..EExtended strand (participates in β ladder)trans-76110.8-176.1-168.7174.8-174170.70111.2A13 S14 F26A13-K16 PolarHBondContact O-N 2.94Å; S14-K16 VanDerWaalsContact C-N 3.33Å; K16-F26 HydrophobicContact CB-CD1 4.26Å; K16-F26 HydrophobicContact CB-CE1 4.35Å; K16-F26 HydrophobicContact CG-CD1 4.43Å; K16-F26 HydrophobicContact CG-CE1 4.26Å
17L86.6Confident79.9Confident92 Ų9272.5 Ų72.548%0.48240%0.396SS..EExtended strand (participates in β ladder)trans-81.3-29.9178.4-63.4174.1000112.4A15 V25 R27 A40 L84A15-L17 PolarHBondContact O-N 3.49Å; L17-V25 HydrophobicContact CB-CB 4.44Å; L17-V25 HydrophobicContact CB-CG1 4.31Å; L17-V25 HydrophobicContact CD1-CG1 4.2Å; L17-V25 PolarHBondContact N-O 3.5Å; L17-R27 HydrophobicContact CD1-CB 4.05Å; L17-R27 HydrophobicContact CD2-CB 4.12Å; L17-R27 HydrophobicContact CG-CB 4.07Å; L17-A40 HydrophobicContact CD1-CB 4.27Å; L17-L84 HydrophobicContact CD1-CD1 3.44Å; L17-L84 VanDerWaalsContact CD1-CD1 3.44Å
18G81.2Confident80.6Confident30 Ų3068.3 Ų68.331%0.30938%0.375SS..EExtended strand (participates in β ladder)trans179.6170179.700000114.4S24 V25G18-S24 WeakPolarHBondContact O-CA 3.31Å; G18-V25 PolarHBondContact N-O 3.47Å; G18-V25 PolarHBondContact O-N 2.97Å
19R80.6Confident81.2Confident205 Ų20572 Ų7277%0.77439%0.391SS*.EExtended strand (participates in β ladder)trans-134.3125.7171.7-175.1-177.5-177.4179.31108.4
20G69.9Low81.9Confident41 Ų4171.8 Ų71.842%0.42339%0.386SS..EExtended strand (participates in β ladder)trans-120.9-177.3175.600000111.9F22 G23G20-F22 PolarHBondContact O-N 3.29Å; G20-G23 PolarHBondContact N-O 3.5Å; G20-G23 PolarHBondContact O-N 3.27Å
21A66.9Low82.4Confident96 Ų9671.4 Ų71.479%0.79339%0.388SS*.THydrogen-bonded Turntrans-57.9-30.817600000112.5
22F70Confident82.7Confident43 Ų4364.9 Ų64.919%0.18937%0.368CS..THydrogen-bonded Turntrans-97.78.5-175.6-52.9-68000114.1G20 L44 C158G20-F22 PolarHBondContact O-N 3.29Å; F22-L44 WeakPolarHBondContact O-CB 3.2Å; F22-C158 WeakPolarHBondContact CE2-SG 3.28Å; F22-C158 WeakPolarHBondContact CZ-SG 3.42Å
23G80.1Confident82.8Confident21 Ų2171.6 Ų71.622%0.21639%0.394CS..EExtended strand (participates in β ladder)trans131.6-159.7176.500000114.5G20 K43G20-G23 PolarHBondContact N-O 3.5Å; G20-G23 PolarHBondContact O-N 3.27Å; G23-K43 WeakPolarHBondContact CA-O 3.36Å
24S87.7Confident82.9Confident23 Ų2374.7 Ų74.716%0.16140%0.398CS..EExtended strand (participates in β ladder)trans-116.6145.4-177.5-60.40000111G18 K42 K43G18-S24 WeakPolarHBondContact O-CA 3.31Å; S24-K42 WeakPolarHBondContact O-CA 3.32Å; S24-K43 PolarHBondContact N-O 3Å; S24-K43 PolarHBondContact O-N 2.94Å
25V91Very high83Confident35 Ų3571.6 Ų71.621%0.21238%0.382CS..EExtended strand (participates in β ladder)trans-114.6133177.9-1720000108.9L17 G18 A40 V41 K42L17-V25 HydrophobicContact CB-CB 4.44Å; L17-V25 HydrophobicContact CB-CG1 4.31Å; L17-V25 HydrophobicContact CD1-CG1 4.2Å; L17-V25 PolarHBondContact N-O 3.5Å; G18-V25 PolarHBondContact N-O 3.47Å; G18-V25 PolarHBondContact O-N 2.97Å; V25-A40 HydrophobicContact CG1-CB 4.06Å; V25-V41 CarbonylContact C-O 3.45Å; V25-V41 WeakPolarHBondContact CA-O 3.44Å; V25-K42 HydrophobicContact CG2-CB 4.11Å; V25-K42 HydrophobicContact CG2-CD 4.28Å; V25-K42 HydrophobicContact CG2-CG 3.99Å
26F91.6Very high83.1Confident11 Ų1175.9 Ų75.95%0.04840%0.4CS..EExtended strand (participates in β ladder)trans-124.3144.6-178.3-55-92.8000110.2F8 E10 A15 K16 A40 V41 K43F8-F26 HydrophobicContact CD2-CB 4.13Å; F8-F26 HydrophobicContact CD2-CG 4.35Å; F8-F26 HydrophobicContact CE2-CD2 4.35Å; E10-F26 HydrophobicContact CB-CE1 4.33Å; E10-F26 HydrophobicContact CB-CZ 4.33Å; E10-F26 HydrophobicContact CG-CE2 4.43Å; E10-F26 HydrophobicContact CG-CZ 4.29Å; A15-F26 CarbonylContact O-C 3.57Å; A15-F26 VanDerWaalsContact O-CA 3.24Å; A15-F26 WeakPolarHBondContact O-CA 3.32Å; K16-F26 HydrophobicContact CB-CD1 4.26Å; K16-F26 HydrophobicContact CB-CE1 4.35Å; K16-F26 HydrophobicContact CG-CD1 4.43Å; K16-F26 HydrophobicContact CG-CE1 4.26Å; F26-A40 CarbonylContact O-C 3.57Å; F26-A40 WeakPolarHBondContact O-CA 3.39Å; F26-V41 PolarHBondContact N-O 2.98Å; F26-V41 PolarHBondContact O-N 2.63Å; F26-K43 HydrophobicContact CE2-CB 4.36Å
27R92.3Very high83.2Confident120 Ų12075.9 Ų75.945%0.45340%0.401SS..EExtended strand (participates in β ladder)trans-72.8134.5162.9-173.3174.7-178.8167.43.1107.7A15 L17 D38 L84A15-R27 PolarHBondContact O-N 2.95Å; L17-R27 HydrophobicContact CD1-CB 4.05Å; L17-R27 HydrophobicContact CD2-CB 4.12Å; L17-R27 HydrophobicContact CG-CB 4.07Å; R27-D38 IonicContact CZ-OD1 3.49Å; R27-D38 IonicContact CZ-OD2 3.47Å; R27-D38 IonicContact NE-OD1 2.81Å; R27-D38 PolarHBondContact NE-OD1 3.34Å; R27-D38 IonicContact NE-OD2 3.15Å; R27-D38 VanDerWaalsContact NH2-CG 3.27Å; R27-D38 IonicContact NH2-OD1 3.5Å; R27-D38 PolarHBondContact NH2-OD1 2.9Å; R27-D38 IonicContact NH2-OD2 2.74Å; R27-D38 PolarHBondContact NH2-OD2 3.17Å; R27-L84 HydrophobicContact CG-CD2 4.14Å
28A91.1Very high83.4Confident4 Ų474.7 Ų74.73%0.03340%0.396CS..EExtended strand (participates in β ladder)trans-137162.317700000109.7L6 F8 V39 V41L6-A28 HydrophobicContact CD1-CB 3.84Å; L6-A28 HydrophobicContact CG-CB 4.28Å; F8-A28 HydrophobicContact CB-CB 3.61Å; F8-A28 HydrophobicContact CD1-CB 4.36Å; F8-A28 HydrophobicContact CG-CB 4.16Å; A28-V39 HydrophobicContact CB-CG2 3.82Å; A28-V39 PolarHBondContact N-O 3.42Å; A28-V39 PolarHBondContact O-N 2.95Å; A28-V41 HydrophobicContact CB-CG2 3.41Å; A28-V41 VanDerWaalsContact CB-CG2 3.41Å
29K89.9Confident84Confident92 Ų9273.4 Ų73.440%0.438%0.382SS..EExtended strand (participates in β ladder)trans-107.7129.4168.4-67.3-171.3169.9-169.70109.6L6 I7 E36L6-K29 WeakPolarHBondContact CA-O 3.36Å; I7-K29 PolarHBondContact N-O 3.31Å; I7-K29 PolarHBondContact O-N 3.35Å; K29-E36 HydrophobicContact CD-CB 4.4Å; K29-E36 WeakPolarHBondContact CD-OE2 3.38Å; K29-E36 IonicContact NZ-OE2 3.57Å; K29-E36 PolarHBondContact NZ-OE2 3.47Å
30R87.9Confident84.6Confident60 Ų6064 Ų6423%0.22635%0.348CS..EExtended strand (participates in β ladder)trans-103.8121.8172.5-168.4-176.6-170.8177.810.4109.5N5 L6 I32 H37 V39 D70N5-R30 CarbonylContact O-C 3.53Å; N5-R30 VanDerWaalsContact O-CA 3.24Å; N5-R30 WeakPolarHBondContact O-CA 3.3Å; L6-R30 HydrophobicContact CD1-CB 4.14Å; R30-I32 HydrophobicContact CG-CG2 4.15Å; R30-I32 PolarHBondContact O-N 3.45Å; R30-H37 PolarHBondContact N-O 3.34Å; R30-H37 PolarHBondContact O-N 2.89Å; R30-V39 HydrophobicContact CB-CG1 3.92Å; R30-V39 HydrophobicContact CB-CG2 4.15Å; R30-D70 IonicContact CZ-OD2 3.99Å; R30-D70 IonicContact NH2-OD2 2.67Å; R30-D70 PolarHBondContact NH2-OD2 2.89Å
31T84.9Confident85.7Confident57 Ų5762 Ų6235%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-76.1121.5170.7-52.70000108.8N5N5-T31 WeakPolarHBondContact CB-O 3.47Å; N5-T31 PolarHBondContact O-N 2.95Å
32I81.9Confident86.8Confident71 Ų7158 Ų5836%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-124.1174.2169.970.3177.2000109.1R30 N34 G35 H37R30-I32 HydrophobicContact CG-CG2 4.15Å; R30-I32 PolarHBondContact O-N 3.45Å; I32-N34 PolarHBondContact O-N 3.43Å; I32-G35 PolarHBondContact N-O 2.88Å; I32-G35 PolarHBondContact O-N 2.85Å; I32-G35 VanDerWaalsContact O-N 3.07Å; I32-H37 WeakPolarHBondContact CD1-CD2 3.38Å; I32-H37 WeakPolarHBondContact CD1-NE2 3.33Å; I32-H37 WeakPolarHBondContact CG1-CD2 3.4Å
33K79.8Confident87.7Confident214 Ų21458 Ų5893%0.9329%0.292SS*.THydrogen-bonded Turntrans-51.3-26.6-176-67.8-175.6178-1790114.4
34N76.9Confident88Confident149 Ų14957.1 Ų57.180%0.79728%0.283SS*.THydrogen-bonded Turntrans-108.715.8-174.1-62-9.1000114.2I32I32-N34 PolarHBondContact O-N 3.43Å
35G83.3Confident88Confident36 Ų3658.5 Ų58.537%0.37129%0.291SS..EExtended strand (participates in β ladder)trans124.1-162.9177.500000113.7I32I32-G35 PolarHBondContact N-O 2.88Å; I32-G35 PolarHBondContact O-N 2.85Å; I32-G35 VanDerWaalsContact O-N 3.07Å
36E84.3Confident87.6Confident101 Ų10163.4 Ų63.447%0.47231%0.306SS..EExtended strand (participates in β ladder)trans-92.3132.9176.8-62.8-175.6152.600110.5K29K29-E36 HydrophobicContact CD-CB 4.4Å; K29-E36 WeakPolarHBondContact CD-OE2 3.38Å; K29-E36 IonicContact NZ-OE2 3.57Å; K29-E36 PolarHBondContact NZ-OE2 3.47Å
37H88.3Confident87.2Confident92 Ų9267.6 Ų67.643%0.42634%0.342SS..EExtended strand (participates in β ladder)trans-119132.8175-70.7-107.5000109.8R30 I32R30-H37 PolarHBondContact N-O 3.34Å; R30-H37 PolarHBondContact O-N 2.89Å; I32-H37 WeakPolarHBondContact CD1-CD2 3.38Å; I32-H37 WeakPolarHBondContact CD1-NE2 3.33Å; I32-H37 WeakPolarHBondContact CG1-CD2 3.4Å
38D92Very high86.3Confident68 Ų6865.7 Ų65.736%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-67.7132.5172.6-81.2-55.6000110.9R27 L84R27-D38 IonicContact CZ-OD1 3.49Å; R27-D38 IonicContact CZ-OD2 3.47Å; R27-D38 IonicContact NE-OD1 2.81Å; R27-D38 PolarHBondContact NE-OD1 3.34Å; R27-D38 IonicContact NE-OD2 3.15Å; R27-D38 VanDerWaalsContact NH2-CG 3.27Å; R27-D38 IonicContact NH2-OD1 3.5Å; R27-D38 PolarHBondContact NH2-OD1 2.9Å; R27-D38 IonicContact NH2-OD2 2.74Å; R27-D38 PolarHBondContact NH2-OD2 3.17Å; D38-L84 HydrophobicContact CB-CD2 3.74Å
39V93.8Very high85.6Confident3 Ų366.9 Ų66.92%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-136.8162.8178.6-58.60000110.3L6 A28 R30 V41 Y69 V81 M82L6-V39 HydrophobicContact CD1-CG2 3.65Å; A28-V39 HydrophobicContact CB-CG2 3.82Å; A28-V39 PolarHBondContact N-O 3.42Å; A28-V39 PolarHBondContact O-N 2.95Å; R30-V39 HydrophobicContact CB-CG1 3.92Å; R30-V39 HydrophobicContact CB-CG2 4.15Å; V39-V41 HydrophobicContact CG2-CG2 4.35Å; V39-Y69 HydrophobicContact CG1-CD2 3.97Å; V39-Y69 HydrophobicContact CG1-CE2 3.93Å; V39-V81 HydrophobicContact CB-CG1 4.02Å; V39-V81 HydrophobicContact CG1-CG1 4.31Å; V39-V81 HydrophobicContact CG2-CG1 3.81Å; V39-M82 WeakPolarHBondContact CB-O 3.47Å
40A93.3Very high85.1Confident7 Ų765.9 Ų65.96%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-102.5136.4169.600000109.8L17 V25 F26 M82 L84L17-A40 HydrophobicContact CD1-CB 4.27Å; V25-A40 HydrophobicContact CG1-CB 4.06Å; F26-A40 CarbonylContact O-C 3.57Å; F26-A40 WeakPolarHBondContact O-CA 3.39Å; A40-M82 HydrophobicContact CB-CB 4.45Å; A40-M82 HydrophobicContact CB-CE 4.31Å; A40-M82 PolarHBondContact N-O 3.31Å; A40-M82 PolarHBondContact O-N 3.16Å; A40-L84 HydrophobicContact CB-CD1 4.1Å
41V91.9Very high84.8Confident0 Ų066.4 Ų66.40%035%0.348CS..EExtended strand (participates in β ladder)trans-118.5114.3178.4-177.20000108.8L6 F8 V25 F26 A28 V39 F79 L80 V81L6-V41 HydrophobicContact CD1-CG2 4.1Å; L6-V41 HydrophobicContact CD2-CG2 3.78Å; L6-V41 HydrophobicContact CG-CG2 4.34Å; F8-V41 HydrophobicContact CE1-CG1 4.16Å; F8-V41 HydrophobicContact CE2-CG1 4.19Å; F8-V41 HydrophobicContact CZ-CG1 3.83Å; V25-V41 CarbonylContact C-O 3.45Å; V25-V41 WeakPolarHBondContact CA-O 3.44Å; F26-V41 PolarHBondContact N-O 2.98Å; F26-V41 PolarHBondContact O-N 2.63Å; A28-V41 HydrophobicContact CB-CG2 3.41Å; A28-V41 VanDerWaalsContact CB-CG2 3.41Å; V39-V41 HydrophobicContact CG2-CG2 4.35Å; V41-F79 HydrophobicContact CG1-CB 4.31Å; V41-F79 HydrophobicContact CG1-CD1 4.02Å; V41-L80 CarbonylContact C-O 3.54Å; V41-L80 VanDerWaalsContact CA-O 3.29Å; V41-L80 WeakPolarHBondContact CA-O 3.34Å; V41-V81 HydrophobicContact CG2-CG2 4.42Å
42K90.4Very high84.7Confident12 Ų1270.7 Ų70.75%0.05236%0.364CS..EExtended strand (participates in β ladder)trans-97.4118.4174.3-175.2173.7-179.7167.30110S24 V25 L44 F79 L80 M82 D155S24-K42 WeakPolarHBondContact O-CA 3.32Å; V25-K42 HydrophobicContact CG2-CB 4.11Å; V25-K42 HydrophobicContact CG2-CD 4.28Å; V25-K42 HydrophobicContact CG2-CG 3.99Å; K42-L44 HydrophobicContact CG-CD2 4.16Å; K42-L44 WeakPolarHBondContact O-CD2 3.26Å; K42-F79 WeakPolarHBondContact O-CA 3.48Å; K42-L80 HydrophobicContact CB-CB 4.29Å; K42-L80 PolarHBondContact N-O 2.7Å; K42-L80 PolarHBondContact O-N 3.25Å; K42-M82 HydrophobicContact CB-CE 3.63Å; K42-M82 HydrophobicContact CB-SD 4.46Å; K42-D155 IonicContact NZ-OD1 2.63Å; K42-D155 PolarHBondContact NZ-OD1 3.5Å; K42-D155 IonicContact NZ-OD2 2.65Å; K42-D155 PolarHBondContact NZ-OD2 2.85Å
43K88.7Confident84.8Confident42 Ų4267.6 Ų67.618%0.18335%0.348CS..EExtended strand (participates in β ladder)trans-93.5124.5172-178.9178.9-170.2163.20109.5E10 G23 S24 F26 F77 C78 F79E10-K43 IonicContact OE1-NZ 3.48Å; E10-K43 PolarHBondContact OE1-NZ 2.9Å; E10-K43 VanDerWaalsContact OE2-CD 3.28Å; E10-K43 WeakPolarHBondContact OE2-CD 3.44Å; E10-K43 IonicContact OE2-NZ 3.87Å; E10-K43 PolarHBondContact OE2-NZ 3.46Å; G23-K43 WeakPolarHBondContact CA-O 3.36Å; S24-K43 PolarHBondContact N-O 3Å; S24-K43 PolarHBondContact O-N 2.94Å; F26-K43 HydrophobicContact CE2-CB 4.36Å; K43-F77 HydrophobicContact CD-CD1 4.35Å; K43-F77 HydrophobicContact CG-CB 4.34Å; K43-F77 HydrophobicContact CG-CD1 3.95Å; K43-F77 HydrophobicContact CG-CG 4.28Å; K43-C78 WeakPolarHBondContact CA-O 3.24Å; K43-F79 HydrophobicContact CB-CD1 3.92Å; K43-F79 HydrophobicContact CB-CE1 3.67Å; K43-F79 HydrophobicContact CB-CZ 4.44Å; K43-F79 HydrophobicContact CD-CE1 3.56Å; K43-F79 HydrophobicContact CD-CZ 3.74Å; K43-F79 HydrophobicContact CG-CD1 4.1Å; K43-F79 HydrophobicContact CG-CE1 3.47Å; K43-F79 VanDerWaalsContact CG-CE1 3.47Å; K43-F79 HydrophobicContact CG-CZ 3.74Å
44L87.8Confident85Confident3 Ų357.7 Ų57.72%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-144.3154.8179.964.3165.9000112.9F22 K42 R46 M49 F77 C78 L80F22-L44 WeakPolarHBondContact O-CB 3.2Å; K42-L44 HydrophobicContact CG-CD2 4.16Å; K42-L44 WeakPolarHBondContact O-CD2 3.26Å; L44-R46 PolarHBondContact O-N 2.88Å; L44-M49 HydrophobicContact CD1-CE 4.13Å; L44-M49 HydrophobicContact CD1-CG 4.1Å; L44-M49 HydrophobicContact CD1-SD 3.18Å; L44-M49 WeakPolarHBondContact CD1-SD 3.33Å; L44-M49 HydrophobicContact CD2-CE 4.04Å; L44-M49 HydrophobicContact CD2-SD 4.11Å; L44-M49 HydrophobicContact CG-CE 4.31Å; L44-M49 HydrophobicContact CG-CG 4.18Å; L44-M49 HydrophobicContact CG-SD 3.74Å; L44-F77 CarbonylContact O-C 3.47Å; L44-F77 WeakPolarHBondContact O-CA 3.41Å; L44-C78 HydrophobicContact CD2-CB 4.21Å; L44-C78 WeakPolarHBondContact CD2-O 3.46Å; L44-C78 HydrophobicContact CG-CB 4.31Å; L44-C78 PolarHBondContact N-O 3.04Å; L44-C78 PolarHBondContact O-N 3.25Å; L44-L80 HydrophobicContact CD2-CD1 4.01Å; L44-L80 HydrophobicContact CD2-CG 3.99Å
45P86.3Confident85.5Confident51 Ų5153 Ų5333%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-60133.4176.2-22.533.8000111.5A47 N48P45-A47 PolarHBondContact O-N 3.49Å; P45-N48 PolarHBondContact O-N 2.87Å
46R84.5Confident85.6Confident139 Ų13952.7 Ų52.753%0.52527%0.272SS..G310 helixtrans-58.2-35.2179.8-178176-179.8176.2-0112.3L44 N48 M49 F73 D76L44-R46 PolarHBondContact O-N 2.88Å; R46-N48 PolarHBondContact O-N 3.21Å; R46-N48 VanDerWaalsContact O-N 3.17Å; R46-M49 WeakPolarHBondContact O-CB 3.21Å; R46-M49 PolarHBondContact O-N 2.75Å; R46-F73 HydrophobicContact CG-CD1 3.91Å; R46-F73 HydrophobicContact CG-CE1 4.08Å; R46-D76 WeakPolarHBondContact CB-O 3.19Å; R46-D76 PolarHBondContact N-O 2.77Å
47A81.5Confident85.7Confident99 Ų9948 Ų4882%0.81825%0.25SS*.G310 helixtrans-60.7-23.217800000113.9P45 M49P45-A47 PolarHBondContact O-N 3.49Å; A47-M49 VanDerWaalsContact C-N 3.33Å
48N74.1Confident85.8Confident79 Ų7948.3 Ų48.342%0.42225%0.248SC..G310 helixtrans-88.9-4.3179.5-65.4-12.9000112.6P45 R46P45-N48 PolarHBondContact O-N 2.87Å; R46-N48 PolarHBondContact O-N 3.21Å; R46-N48 VanDerWaalsContact O-N 3.17Å
49M75.7Confident85.6Confident29 Ų2950.4 Ų50.414%0.14326%0.263CS..  trans-88.6134.1-175-70-61-101.100112.1L44 R46 A47 L54 C78 L80L44-M49 HydrophobicContact CD1-CE 4.13Å; L44-M49 HydrophobicContact CD1-CG 4.1Å; L44-M49 HydrophobicContact CD1-SD 3.18Å; L44-M49 WeakPolarHBondContact CD1-SD 3.33Å; L44-M49 HydrophobicContact CD2-CE 4.04Å; L44-M49 HydrophobicContact CD2-SD 4.11Å; L44-M49 HydrophobicContact CG-CE 4.31Å; L44-M49 HydrophobicContact CG-CG 4.18Å; L44-M49 HydrophobicContact CG-SD 3.74Å; R46-M49 WeakPolarHBondContact O-CB 3.21Å; R46-M49 PolarHBondContact O-N 2.75Å; A47-M49 VanDerWaalsContact C-N 3.33Å; M49-L54 HydrophobicContact CE-CD1 3.03Å; M49-L54 HydrophobicContact CE-CD2 4.47Å; M49-L54 HydrophobicContact CE-CG 4.34Å; M49-L54 HydrophobicContact SD-CD1 3.64Å; M49-C78 HydrophobicContact CE-CB 3.97Å; M49-C78 WeakPolarHBondContact CE-SG 3.31Å; M49-C78 HydrophobicContact CG-CB 3.59Å; M49-C78 HydrophobicContact SD-CB 4.43Å; M49-L80 HydrophobicContact CE-CD1 3.8Å; M49-L80 HydrophobicContact CE-CD2 3.56Å; M49-L80 HydrophobicContact CE-CG 3.7Å
50K79.3Confident85.2Confident71 Ų7152 Ų5231%0.30928%0.277SS..  trans-115.5102.9167.7-52.7-168.6154.3-154.90109.4E52 E53 L54 R160K50-E52 VanDerWaalsContact C-N 3.29Å; K50-E52 PolarHBondContact O-N 3.36Å; K50-E53 WeakPolarHBondContact CB-OE2 3.44Å; K50-E53 WeakPolarHBondContact CD-OE1 3.46Å; K50-E53 IonicContact NZ-OE1 2.64Å; K50-E53 PolarHBondContact O-N 2.96Å; K50-L54 WeakPolarHBondContact O-CD1 3.5Å; K50-L54 WeakPolarHBondContact O-CG 3.26Å; K50-L54 PolarHBondContact O-N 3.05Å; K50-R160 VanDerWaalsContact CE-CD 3.45Å; K50-R160 VanDerWaalsContact NZ-NE 3.19Å
51M82.1Confident84.9Confident72 Ų7257.5 Ų57.536%0.35531%0.305SS..Hα-helixtrans-65.2-35.5-169.9-165.864.1-177.200112L54 E55 I71 F73M51-L54 PolarHBondContact O-N 3.27Å; M51-E55 HydrophobicContact CE-CG 3.84Å; M51-E55 WeakPolarHBondContact CE-OE1 3.44Å; M51-E55 HydrophobicContact CG-CG 4.26Å; M51-E55 WeakPolarHBondContact O-CB 3.42Å; M51-E55 WeakPolarHBondContact O-CG 3.27Å; M51-E55 PolarHBondContact O-N 2.75Å; M51-E55 HydrophobicContact SD-CG 4.47Å; M51-I71 HydrophobicContact CE-CB 4.33Å; M51-I71 HydrophobicContact CE-CD1 3.94Å; M51-I71 HydrophobicContact CE-CG2 4.23Å; M51-I71 HydrophobicContact SD-CD1 4.14Å; M51-I71 HydrophobicContact SD-CG2 4.16Å; M51-F73 HydrophobicContact CE-CE2 4.43Å; M51-F73 HydrophobicContact SD-CE2 4.2Å; M51-F73 HydrophobicContact SD-CZ 3.86Å
52E83.3Confident84.9Confident147 Ų14759.2 Ų59.269%0.68731%0.314SS*.Hα-helixtrans-61-49.9179.4-66.6169.4-168.300111.8K50 L54 E55 A56K50-E52 VanDerWaalsContact C-N 3.29Å; K50-E52 PolarHBondContact O-N 3.36Å; E52-L54 PolarHBondContact O-N 2.97Å; E52-E55 PolarHBondContact O-N 3.42Å; E52-A56 WeakPolarHBondContact O-CB 3.32Å; E52-A56 PolarHBondContact O-N 2.96Å
53E83.1Confident85.2Confident5 Ų562.2 Ų62.22%0.02334%0.335CS..Hα-helixtrans-60.6-44.6176.6-73.888.1155.600112.1K50 A56 I57 I123 L161K50-E53 WeakPolarHBondContact CB-OE2 3.44Å; K50-E53 WeakPolarHBondContact CD-OE1 3.46Å; K50-E53 IonicContact NZ-OE1 2.64Å; K50-E53 PolarHBondContact O-N 2.96Å; E53-A56 PolarHBondContact O-N 2.97Å; E53-I57 WeakPolarHBondContact O-CD1 3.39Å; E53-I57 WeakPolarHBondContact O-CG1 3.5Å; E53-I57 PolarHBondContact O-N 3.41Å; E53-I123 HydrophobicContact CB-CD1 3.76Å; E53-I123 HydrophobicContact CG-CD1 3.61Å; E53-L161 HydrophobicContact CG-CG 4.06Å; E53-L161 PolarHBondContact OE1-N 3.13Å
54L84.6Confident85.6Confident6 Ų661.3 Ų61.33%0.03133%0.332CS..Hα-helixtrans-67.6-38.6-178.1-69.9161.7000112.4M49 K50 M51 E52 I57 R58 I68 I71 L80 F156M49-L54 HydrophobicContact CE-CD1 3.03Å; M49-L54 HydrophobicContact CE-CD2 4.47Å; M49-L54 HydrophobicContact CE-CG 4.34Å; M49-L54 HydrophobicContact SD-CD1 3.64Å; K50-L54 WeakPolarHBondContact O-CD1 3.5Å; K50-L54 WeakPolarHBondContact O-CG 3.26Å; K50-L54 PolarHBondContact O-N 3.05Å; M51-L54 PolarHBondContact O-N 3.27Å; E52-L54 PolarHBondContact O-N 2.97Å; L54-I57 PolarHBondContact O-N 3.09Å; L54-R58 VanDerWaalsContact O-CB 3.27Å; L54-R58 WeakPolarHBondContact O-CB 3.36Å; L54-R58 PolarHBondContact O-N 3.45Å; L54-I68 HydrophobicContact CD2-CD1 3.98Å; L54-I71 HydrophobicContact CB-CD1 3.98Å; L54-L80 HydrophobicContact CD1-CD2 4.48Å; L54-L80 HydrophobicContact CD2-CD1 4.25Å; L54-L80 HydrophobicContact CD2-CD2 4.48Å; L54-F156 HydrophobicContact CD2-CB 4.44Å
55E86.3Confident86Confident50 Ų5061.3 Ų61.323%0.23433%0.332CS..Hα-helixtrans-69.9-36.4175.5-74.4-64.2179.400112.1M51 E52 R58 T59M51-E55 HydrophobicContact CE-CG 3.84Å; M51-E55 WeakPolarHBondContact CE-OE1 3.44Å; M51-E55 HydrophobicContact CG-CG 4.26Å; M51-E55 WeakPolarHBondContact O-CB 3.42Å; M51-E55 WeakPolarHBondContact O-CG 3.27Å; M51-E55 PolarHBondContact O-N 2.75Å; M51-E55 HydrophobicContact SD-CG 4.47Å; E52-E55 PolarHBondContact O-N 3.42Å; E55-R58 VanDerWaalsContact CD-NH2 3.29Å; E55-R58 PolarHBondContact O-N 2.62Å; E55-R58 IonicContact OE1-CZ 3.55Å; E55-R58 IonicContact OE1-NE 3.61Å; E55-R58 IonicContact OE1-NH2 3.05Å; E55-R58 PolarHBondContact OE1-NH2 2.88Å; E55-R58 IonicContact OE2-CZ 3.15Å; E55-R58 IonicContact OE2-NE 2.73Å; E55-R58 PolarHBondContact OE2-NE 3.34Å; E55-R58 IonicContact OE2-NH2 2.75Å; E55-R58 PolarHBondContact OE2-NH2 3.07Å; E55-T59 VanDerWaalsContact O-CB 3.26Å; E55-T59 WeakPolarHBondContact O-CB 3.37Å; E55-T59 PolarHBondContact O-N 2.91Å; E55-T59 PolarHBondContact O-OG1 3.5Å
56A86.1Confident86.5Confident30 Ų3059.1 Ų59.125%0.24832%0.318CS..Hα-helixtrans-61.3-45.3171.900000111.4E52 E53 T59 A60 I121E52-A56 WeakPolarHBondContact O-CB 3.32Å; E52-A56 PolarHBondContact O-N 2.96Å; E53-A56 PolarHBondContact O-N 2.97Å; A56-T59 PolarHBondContact O-N 3.45Å; A56-A60 WeakPolarHBondContact O-CB 3.15Å; A56-A60 PolarHBondContact O-N 2.81Å; A56-I121 HydrophobicContact CB-CD1 4.22Å
57I87.1Confident87Confident3 Ų353.4 Ų53.42%0.01530%0.3CS..Hα-helixtrans-65-45.4177.3-67.2159.7000111.1E53 L54 T59 A60 N61 I65 I68 L118 I121 I123 F156E53-I57 WeakPolarHBondContact O-CD1 3.39Å; E53-I57 WeakPolarHBondContact O-CG1 3.5Å; E53-I57 PolarHBondContact O-N 3.41Å; L54-I57 PolarHBondContact O-N 3.09Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 2.91Å; I57-A60 PolarHBondContact O-N 2.98Å; I57-N61 PolarHBondContact O-N 3.43Å; I57-I65 HydrophobicContact CG2-CG2 3.88Å; I57-I68 HydrophobicContact CG2-CD1 4.09Å; I57-L118 HydrophobicContact CG1-CD2 4.1Å; I57-I121 HydrophobicContact CG1-CD1 4.24Å; I57-I123 HydrophobicContact CD1-CD1 4.44Å; I57-I123 HydrophobicContact CD1-CG1 4.49Å; I57-I123 HydrophobicContact CD1-CG2 4.31Å; I57-I123 HydrophobicContact CG1-CD1 4.42Å; I57-I123 HydrophobicContact CG1-CG1 4.1Å; I57-F156 HydrophobicContact CD1-CB 3.77Å; I57-F156 HydrophobicContact CD1-CD1 3.57Å; I57-F156 HydrophobicContact CD1-CD2 4Å; I57-F156 HydrophobicContact CD1-CE1 4.16Å; I57-F156 HydrophobicContact CD1-CG 3.49Å; I57-F156 VanDerWaalsContact CD1-CG 3.49Å; I57-F156 HydrophobicContact CG2-CD2 4.1Å; I57-F156 HydrophobicContact CG2-CE2 3.82Å; I57-F156 HydrophobicContact CG2-CZ 4.12Å
58R89.8Confident87.5Confident99 Ų9949.4 Ų49.437%0.37427%0.265SS..Hα-helixtrans-58.6-45.2177.1-176.6171.277.2133.3-0.2111.3L54 E55 N61 I68L54-R58 VanDerWaalsContact O-CB 3.27Å; L54-R58 WeakPolarHBondContact O-CB 3.36Å; L54-R58 PolarHBondContact O-N 3.45Å; E55-R58 VanDerWaalsContact CD-NH2 3.29Å; E55-R58 PolarHBondContact O-N 2.62Å; E55-R58 IonicContact OE1-CZ 3.55Å; E55-R58 IonicContact OE1-NE 3.61Å; E55-R58 IonicContact OE1-NH2 3.05Å; E55-R58 PolarHBondContact OE1-NH2 2.88Å; E55-R58 IonicContact OE2-CZ 3.15Å; E55-R58 IonicContact OE2-NE 2.73Å; E55-R58 PolarHBondContact OE2-NE 3.34Å; E55-R58 IonicContact OE2-NH2 2.75Å; E55-R58 PolarHBondContact OE2-NH2 3.07Å; R58-N61 PolarHBondContact O-N 2.73Å; R58-I68 HydrophobicContact CB-CB 4.22Å; R58-I68 WeakPolarHBondContact CD-O 3.46Å; R58-I68 HydrophobicContact CG-CB 4.26Å; R58-I68 VanDerWaalsContact CG-O 3.32Å; R58-I68 WeakPolarHBondContact CG-O 3.48Å
59T88.8Confident88.3Confident112 Ų11250 Ų5069%0.68726%0.262SS*.Hα-helixtrans-67.7-35-180-57.30000112.2E55 A56 I57 N61E55-T59 VanDerWaalsContact O-CB 3.26Å; E55-T59 WeakPolarHBondContact O-CB 3.37Å; E55-T59 PolarHBondContact O-N 2.91Å; E55-T59 PolarHBondContact O-OG1 3.5Å; A56-T59 PolarHBondContact O-N 3.45Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 2.91Å; T59-N61 PolarHBondContact O-N 3.3Å
60A84.2Confident88.9Confident36 Ų3650.5 Ų50.530%0.29827%0.265SS..Hα-helixtrans-64.2-27.1-18000000113.7A56 I57 N62 I121A56-A60 WeakPolarHBondContact O-CB 3.15Å; A56-A60 PolarHBondContact O-N 2.81Å; I57-A60 PolarHBondContact O-N 2.98Å; A60-N62 PolarHBondContact O-N 3.28Å; A60-I121 HydrophobicContact CB-CD1 3.98Å; A60-I121 HydrophobicContact CB-CG2 4.23Å
61N86.5Confident89.3Confident123 Ų12348 Ų4866%0.65826%0.255SS*.  trans35.265.3171.4-172.130.1000114.2I57 R58 T59I57-N61 PolarHBondContact O-N 3.43Å; R58-N61 PolarHBondContact O-N 2.73Å; T59-N61 PolarHBondContact O-N 3.3Å
62N93.4Very high89.5Confident35 Ų3547.2 Ų47.219%0.18725%0.25CC..  trans-101.8139.9-177.4-173.9-82.2000110.9A60 N64 I65 A117A60-N62 PolarHBondContact O-N 3.28Å; N62-N64 PolarHBondContact O-N 3.44Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 WeakPolarHBondContact OD1-CB 3.28Å; N62-N64 PolarHBondContact OD1-N 2.88Å; N62-I65 HydrophobicContact CB-CB 4.3Å; N62-I65 HydrophobicContact CB-CD1 3.87Å; N62-I65 HydrophobicContact CB-CG1 4.13Å; N62-I65 PolarHBondContact O-N 3.26Å; N62-I65 VanDerWaalsContact O-O 3.04Å; N62-A117 HydrophobicContact CB-CB 3.92Å; N62-A117 WeakPolarHBondContact ND2-CB 3.34Å
63P95.9Very high89.6Confident75 Ų7544.3 Ų44.349%0.48724%0.235SC..THydrogen-bonded Turntrans-59.2-24.9-179.623.3-35.3000114.2K152P63-K152 WeakPolarHBondContact O-CE 3.44Å; P63-K152 WeakPolarHBondContact O-CG 3.31Å; P63-K152 PolarHBondContact O-NZ 3.43Å
64N97.7Very high89.8Confident23 Ų2348 Ų4812%0.12325%0.252CS..THydrogen-bonded Turntrans-98.614.8179-61110000114.2N62 G110 S113 V151 K152 I153N62-N64 PolarHBondContact O-N 3.44Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 WeakPolarHBondContact OD1-CB 3.28Å; N62-N64 PolarHBondContact OD1-N 2.88Å; N64-G110 VanDerWaalsContact CB-O 3.3Å; N64-G110 WeakPolarHBondContact CB-O 3.01Å; N64-G110 WeakPolarHBondContact ND2-CA 3.4Å; N64-S113 WeakPolarHBondContact OD1-CB 3.34Å; N64-S113 PolarHBondContact OD1-OG 3.43Å; N64-V151 VanDerWaalsContact CA-O 3.23Å; N64-V151 WeakPolarHBondContact CA-O 3.2Å; N64-V151 WeakPolarHBondContact CB-O 3.24Å; N64-V151 PolarHBondContact ND2-O 2.94Å; N64-K152 WeakPolarHBondContact O-CA 3.11Å; N64-I153 PolarHBondContact O-N 2.73Å
65I96.6Very high89.8Confident4 Ų454.7 Ų54.72%0.02128%0.283CS..BIsolated β-bridgetrans-120.7139.5168.9-65.3170.7000107.3I57 N62 A67 A117 L118 F156I57-I65 HydrophobicContact CG2-CG2 3.88Å; N62-I65 HydrophobicContact CB-CB 4.3Å; N62-I65 HydrophobicContact CB-CD1 3.87Å; N62-I65 HydrophobicContact CB-CG1 4.13Å; N62-I65 PolarHBondContact O-N 3.26Å; N62-I65 VanDerWaalsContact O-O 3.04Å; I65-A67 PolarHBondContact O-N 2.79Å; I65-A117 HydrophobicContact CD1-CB 3.99Å; I65-L118 HydrophobicContact CD1-CD2 3.6Å; I65-L118 HydrophobicContact CD1-CG 3.68Å; I65-L118 HydrophobicContact CG1-CD2 4.38Å; I65-L118 HydrophobicContact CG1-CG 4.29Å; I65-F156 HydrophobicContact CG2-CE2 3.92Å; I65-F156 HydrophobicContact CG2-CZ 3.63Å
66V95.8Very high90Very high4 Ų458.4 Ų58.42%0.02431%0.305CS..  trans-60.6122.3174.2170.30000109.1I68 M82 E83 L134 K152 I153 A154V66-I68 PolarHBondContact O-N 3.47Å; V66-M82 HydrophobicContact CG1-CB 3.96Å; V66-E83 HydrophobicContact CG1-CB 4.2Å; V66-L134 HydrophobicContact CG2-CB 4.43Å; V66-L134 HydrophobicContact CG2-CD1 3.89Å; V66-L134 HydrophobicContact CG2-CG 4.37Å; V66-K152 HydrophobicContact CG2-CB 3.73Å; V66-I153 PolarHBondContact N-O 2.95Å; V66-A154 HydrophobicContact CB-CB 4.24Å; V66-A154 HydrophobicContact CG2-CB 3.51Å
67A94.5Very high90.1Very high20 Ų2060.6 Ų60.617%0.16531%0.309CS..  trans-66.6132.8179.900000110.7I65 Y69 M82 E83I65-A67 PolarHBondContact O-N 2.79Å; A67-Y69 HydrophobicContact CB-CD1 4.19Å; A67-Y69 HydrophobicContact CB-CE1 3.69Å; A67-M82 CarbonylContact O-C 3.5Å; A67-M82 VanDerWaalsContact O-CA 3.24Å; A67-M82 WeakPolarHBondContact O-CA 3.38Å; A67-E83 HydrophobicContact CB-CB 4.12Å; A67-E83 PolarHBondContact N-OE2 3.46Å; A67-E83 PolarHBondContact O-N 3.34Å
68I92.4Very high90.1Very high14 Ų1460.5 Ų60.57%0.07231%0.308CS..EExtended strand (participates in β ladder)trans-96.1111.7169.6-59.9171.1000106.7L54 I57 R58 V66 I71 L80L54-I68 HydrophobicContact CD2-CD1 3.98Å; I57-I68 HydrophobicContact CG2-CD1 4.09Å; R58-I68 HydrophobicContact CB-CB 4.22Å; R58-I68 WeakPolarHBondContact CD-O 3.46Å; R58-I68 HydrophobicContact CG-CB 4.26Å; R58-I68 VanDerWaalsContact CG-O 3.32Å; R58-I68 WeakPolarHBondContact CG-O 3.48Å; V66-I68 PolarHBondContact O-N 3.47Å; I68-I71 HydrophobicContact CG2-CD1 4.23Å; I68-I71 HydrophobicContact CG2-CG1 3.88Å; I68-L80 HydrophobicContact CG2-CD2 4.4Å
69Y90.5Very high90Very high92 Ų9255.9 Ų55.936%0.36129%0.291SS..EExtended strand (participates in β ladder)trans-84.9-34.1-179.1-58.2-42.8000112.9V39 A67 V81 E83V39-Y69 HydrophobicContact CG1-CD2 3.97Å; V39-Y69 HydrophobicContact CG1-CE2 3.93Å; A67-Y69 HydrophobicContact CB-CD1 4.19Å; A67-Y69 HydrophobicContact CB-CE1 3.69Å; Y69-V81 HydrophobicContact CD2-CG1 4.27Å; Y69-V81 PolarHBondContact N-O 3.44Å; Y69-E83 HydrophobicContact CE2-CB 4.21Å
70D88.6Confident90.1Very high40 Ų4051.1 Ų51.121%0.21426%0.261CS..EExtended strand (participates in β ladder)trans-160.9158-176.7-137-32.7000112.3R30 F72 V81R30-D70 IonicContact CZ-OD2 3.99Å; R30-D70 IonicContact NH2-OD2 2.67Å; R30-D70 PolarHBondContact NH2-OD2 2.89Å; D70-F72 HydrophobicContact CB-CD2 4.3Å; D70-F72 HydrophobicContact CB-CE2 3.51Å; D70-F72 HydrophobicContact CB-CZ 3.75Å; D70-F72 WeakPolarHBondContact OD2-CZ 3.24Å; D70-V81 HydrophobicContact CB-CB 3.98Å; D70-V81 HydrophobicContact CB-CG2 4.2Å; D70-V81 PolarHBondContact N-O 2.91Å; D70-V81 PolarHBondContact O-N 3.38Å
71I87.7Confident90.4Very high18 Ų1849.5 Ų49.59%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-135.3114.8-179.7-51.6-177000107.9M51 L54 I68 F73 C78 L80M51-I71 HydrophobicContact CE-CB 4.33Å; M51-I71 HydrophobicContact CE-CD1 3.94Å; M51-I71 HydrophobicContact CE-CG2 4.23Å; M51-I71 HydrophobicContact SD-CD1 4.14Å; M51-I71 HydrophobicContact SD-CG2 4.16Å; L54-I71 HydrophobicContact CB-CD1 3.98Å; I68-I71 HydrophobicContact CG2-CD1 4.23Å; I68-I71 HydrophobicContact CG2-CG1 3.88Å; I71-F73 HydrophobicContact CG2-CE2 4.07Å; I71-F73 HydrophobicContact CG2-CZ 4.02Å; I71-C78 VanDerWaalsContact CG2-SG 3.54Å; I71-L80 HydrophobicContact CB-CD2 4.26Å; I71-L80 HydrophobicContact CD1-CD2 4.05Å; I71-L80 HydrophobicContact CG1-CD2 3.68Å; I71-L80 HydrophobicContact CG2-CD2 3.96Å
72F86.3Confident90.8Very high55 Ų5544.8 Ų44.824%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-114.8148.3178.7-55.6-80.9000111.2L3 D70 C78 F79 V81L3-F72 HydrophobicContact CD1-CB 4.12Å; L3-F72 HydrophobicContact CD1-CD1 4.46Å; L3-F72 HydrophobicContact CD1-CD2 3.73Å; L3-F72 HydrophobicContact CD1-CE2 4.21Å; L3-F72 HydrophobicContact CD1-CG 3.85Å; L3-F72 HydrophobicContact CD2-CB 4.21Å; L3-F72 HydrophobicContact CD2-CD1 3.94Å; L3-F72 HydrophobicContact CD2-CE1 4.48Å; L3-F72 HydrophobicContact CD2-CG 4.02Å; D70-F72 HydrophobicContact CB-CD2 4.3Å; D70-F72 HydrophobicContact CB-CE2 3.51Å; D70-F72 HydrophobicContact CB-CZ 3.75Å; D70-F72 WeakPolarHBondContact OD2-CZ 3.24Å; F72-C78 CarbonylContact O-C 3.48Å; F72-C78 VanDerWaalsContact O-CA 3.31Å; F72-C78 WeakPolarHBondContact O-CA 3.09Å; F72-C78 PolarHBondContact O-SG 3.17Å; F72-F79 HydrophobicContact CB-CB 4.29Å; F72-F79 PolarHBondContact N-O 2.93Å; F72-F79 PolarHBondContact O-N 2.89Å; F72-V81 HydrophobicContact CD2-CG2 3.93Å; F72-V81 HydrophobicContact CE2-CG2 3.58Å
73F86.9Confident90.8Very high86 Ų8644 Ų4438%0.37722%0.217SC..EExtended strand (participates in β ladder)trans-116.7131.9171.7-61.2-81.6000109.2R46 M51 I71 F77 C78R46-F73 HydrophobicContact CG-CD1 3.91Å; R46-F73 HydrophobicContact CG-CE1 4.08Å; M51-F73 HydrophobicContact CE-CE2 4.43Å; M51-F73 HydrophobicContact SD-CE2 4.2Å; M51-F73 HydrophobicContact SD-CZ 3.86Å; I71-F73 HydrophobicContact CG2-CE2 4.07Å; I71-F73 HydrophobicContact CG2-CZ 4.02Å; F73-F77 WeakPolarHBondContact CA-O 3.2Å; F73-C78 HydrophobicContact CD1-CB 3.99Å; F73-C78 HydrophobicContact CE1-CB 3.89Å; F73-C78 VanDerWaalsContact CE1-SG 3.51Å
74Q85.4Confident90.8Very high83 Ų8342 Ų4239%0.38820%0.202SC..EExtended strand (participates in β ladder)trans-139.8119.2171-178.8-179-1.700107.9M1 D76 F77 F79M1-Q74 PolarHBondContact SD-OE1 3.5Å; Q74-D76 PolarHBondContact O-N 3.41Å; Q74-F77 PolarHBondContact N-O 3.49Å; Q74-F77 PolarHBondContact O-N 2.93Å; Q74-F79 HydrophobicContact CB-CD2 4.46Å; Q74-F79 HydrophobicContact CB-CE2 3.99Å
75E86.5Confident90.7Very high146 Ų14641.9 Ų41.968%0.68220%0.203SC*.THydrogen-bonded Turntrans51.9-123.6-175.9-59.4169-16900110.7F77E75-F77 VanDerWaalsContact C-N 3.3Å
76D89Confident90.6Very high128 Ų12846.5 Ų46.568%0.68423%0.228SC*.THydrogen-bonded Turntrans-88.57.9179.9-63.7-39.9000113.5R46 Q74R46-D76 WeakPolarHBondContact CB-O 3.19Å; R46-D76 PolarHBondContact N-O 2.77Å; Q74-D76 PolarHBondContact O-N 3.41Å
77F88.1Confident90.5Very high77 Ų7747.7 Ų47.734%0.33824%0.236SC..EExtended strand (participates in β ladder)trans-115.4144.6-177-62-77.1000112.7K43 L44 F73 Q74 E75 F79K43-F77 HydrophobicContact CD-CD1 4.35Å; K43-F77 HydrophobicContact CG-CB 4.34Å; K43-F77 HydrophobicContact CG-CD1 3.95Å; K43-F77 HydrophobicContact CG-CG 4.28Å; L44-F77 CarbonylContact O-C 3.47Å; L44-F77 WeakPolarHBondContact O-CA 3.41Å; F73-F77 WeakPolarHBondContact CA-O 3.2Å; Q74-F77 PolarHBondContact N-O 3.49Å; Q74-F77 PolarHBondContact O-N 2.93Å; E75-F77 VanDerWaalsContact C-N 3.3Å; F77-F79 HydrophobicContact CB-CD2 4.37Å; F77-F79 HydrophobicContact CB-CE2 3.64Å; F77-F79 HydrophobicContact CB-CZ 4.08Å
78C87.1Confident90.5Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-104.2142.2162.9-168.20000109.2K43 L44 M49 I71 F72 F73K43-C78 WeakPolarHBondContact CA-O 3.24Å; L44-C78 HydrophobicContact CD2-CB 4.21Å; L44-C78 WeakPolarHBondContact CD2-O 3.46Å; L44-C78 HydrophobicContact CG-CB 4.31Å; L44-C78 PolarHBondContact N-O 3.04Å; L44-C78 PolarHBondContact O-N 3.25Å; M49-C78 HydrophobicContact CE-CB 3.97Å; M49-C78 WeakPolarHBondContact CE-SG 3.31Å; M49-C78 HydrophobicContact CG-CB 3.59Å; M49-C78 HydrophobicContact SD-CB 4.43Å; I71-C78 VanDerWaalsContact CG2-SG 3.54Å; F72-C78 CarbonylContact O-C 3.48Å; F72-C78 VanDerWaalsContact O-CA 3.31Å; F72-C78 WeakPolarHBondContact O-CA 3.09Å; F72-C78 PolarHBondContact O-SG 3.17Å; F73-C78 HydrophobicContact CD1-CB 3.99Å; F73-C78 HydrophobicContact CE1-CB 3.89Å; F73-C78 VanDerWaalsContact CE1-SG 3.51Å
79F89.2Confident90.8Very high3 Ų347.2 Ų47.21%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-120.7114.6175.4-64.6-94.7000108.9M1 F8 V41 K42 K43 F72 Q74 F77M1-F79 HydrophobicContact CE-CD1 3.86Å; M1-F79 HydrophobicContact CE-CD2 4.43Å; M1-F79 HydrophobicContact CE-CE1 3.29Å; M1-F79 HydrophobicContact CE-CE2 3.96Å; M1-F79 HydrophobicContact CE-CG 4.38Å; M1-F79 HydrophobicContact CE-CZ 3.34Å; F8-F79 HydrophobicContact CZ-CD1 4.03Å; F8-F79 HydrophobicContact CZ-CE1 4.05Å; V41-F79 HydrophobicContact CG1-CB 4.31Å; V41-F79 HydrophobicContact CG1-CD1 4.02Å; K42-F79 WeakPolarHBondContact O-CA 3.48Å; K43-F79 HydrophobicContact CB-CD1 3.92Å; K43-F79 HydrophobicContact CB-CE1 3.67Å; K43-F79 HydrophobicContact CB-CZ 4.44Å; K43-F79 HydrophobicContact CD-CE1 3.56Å; K43-F79 HydrophobicContact CD-CZ 3.74Å; K43-F79 HydrophobicContact CG-CD1 4.1Å; K43-F79 HydrophobicContact CG-CE1 3.47Å; K43-F79 VanDerWaalsContact CG-CE1 3.47Å; K43-F79 HydrophobicContact CG-CZ 3.74Å; F72-F79 HydrophobicContact CB-CB 4.29Å; F72-F79 PolarHBondContact N-O 2.93Å; F72-F79 PolarHBondContact O-N 2.89Å; Q74-F79 HydrophobicContact CB-CD2 4.46Å; Q74-F79 HydrophobicContact CB-CE2 3.99Å; F77-F79 HydrophobicContact CB-CD2 4.37Å; F77-F79 HydrophobicContact CB-CE2 3.64Å; F77-F79 HydrophobicContact CB-CZ 4.08Å
80L90.2Very high91Very high12 Ų1246.4 Ų46.46%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-94.6116.8174.4-66.2175.8000109.2V41 K42 L44 M49 L54 I68 I71 M82V41-L80 CarbonylContact C-O 3.54Å; V41-L80 VanDerWaalsContact CA-O 3.29Å; V41-L80 WeakPolarHBondContact CA-O 3.34Å; K42-L80 HydrophobicContact CB-CB 4.29Å; K42-L80 PolarHBondContact N-O 2.7Å; K42-L80 PolarHBondContact O-N 3.25Å; L44-L80 HydrophobicContact CD2-CD1 4.01Å; L44-L80 HydrophobicContact CD2-CG 3.99Å; M49-L80 HydrophobicContact CE-CD1 3.8Å; M49-L80 HydrophobicContact CE-CD2 3.56Å; M49-L80 HydrophobicContact CE-CG 3.7Å; L54-L80 HydrophobicContact CD1-CD2 4.48Å; L54-L80 HydrophobicContact CD2-CD1 4.25Å; L54-L80 HydrophobicContact CD2-CD2 4.48Å; I68-L80 HydrophobicContact CG2-CD2 4.4Å; I71-L80 HydrophobicContact CB-CD2 4.26Å; I71-L80 HydrophobicContact CD1-CD2 4.05Å; I71-L80 HydrophobicContact CG1-CD2 3.68Å; I71-L80 HydrophobicContact CG2-CD2 3.96Å; L80-M82 HydrophobicContact CB-CG 4.02Å; L80-M82 HydrophobicContact CB-SD 4.15Å
81V91.4Very high91.3Very high1 Ų146.4 Ų46.41%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-89.3120.7170.3-175.50000108L6 V39 V41 Y69 D70 F72L6-V81 HydrophobicContact CD1-CG1 4.38Å; L6-V81 HydrophobicContact CD1-CG2 4.45Å; L6-V81 HydrophobicContact CD2-CG2 3.87Å; V39-V81 HydrophobicContact CB-CG1 4.02Å; V39-V81 HydrophobicContact CG1-CG1 4.31Å; V39-V81 HydrophobicContact CG2-CG1 3.81Å; V41-V81 HydrophobicContact CG2-CG2 4.42Å; Y69-V81 HydrophobicContact CD2-CG1 4.27Å; Y69-V81 PolarHBondContact N-O 3.44Å; D70-V81 HydrophobicContact CB-CB 3.98Å; D70-V81 HydrophobicContact CB-CG2 4.2Å; D70-V81 PolarHBondContact N-O 2.91Å; D70-V81 PolarHBondContact O-N 3.38Å; F72-V81 HydrophobicContact CD2-CG2 3.93Å; F72-V81 HydrophobicContact CE2-CG2 3.58Å
82M93.6Very high91.7Very high25 Ų2545.6 Ų45.612%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-131.7162-168.4-56.8179-57.400111.1V39 A40 K42 V66 A67 L80 L84V39-M82 WeakPolarHBondContact CB-O 3.47Å; A40-M82 HydrophobicContact CB-CB 4.45Å; A40-M82 HydrophobicContact CB-CE 4.31Å; A40-M82 PolarHBondContact N-O 3.31Å; A40-M82 PolarHBondContact O-N 3.16Å; K42-M82 HydrophobicContact CB-CE 3.63Å; K42-M82 HydrophobicContact CB-SD 4.46Å; V66-M82 HydrophobicContact CG1-CB 3.96Å; A67-M82 CarbonylContact O-C 3.5Å; A67-M82 VanDerWaalsContact O-CA 3.24Å; A67-M82 WeakPolarHBondContact O-CA 3.38Å; L80-M82 HydrophobicContact CB-CG 4.02Å; L80-M82 HydrophobicContact CB-SD 4.15Å; M82-L84 PolarHBondContact O-N 3Å
83E94.2Very high92.2Very high17 Ų1743.1 Ų43.18%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-56.3128.3167.5179.9177.7-163.600111.6V66 A67 Y69 K136 K152V66-E83 HydrophobicContact CG1-CB 4.2Å; A67-E83 HydrophobicContact CB-CB 4.12Å; A67-E83 PolarHBondContact N-OE2 3.46Å; A67-E83 PolarHBondContact O-N 3.34Å; Y69-E83 HydrophobicContact CE2-CB 4.21Å; E83-K136 WeakPolarHBondContact OE1-CE 3.3Å; E83-K136 IonicContact OE1-NZ 2.99Å; E83-K136 PolarHBondContact OE1-NZ 2.77Å; E83-K152 VanDerWaalsContact CD-CE 3.4Å; E83-K152 VanDerWaalsContact CD-NZ 3.26Å; E83-K152 WeakPolarHBondContact OE1-CE 3.2Å; E83-K152 IonicContact OE1-NZ 3.11Å; E83-K152 PolarHBondContact OE1-NZ 3.26Å; E83-K152 WeakPolarHBondContact OE2-CD 3.45Å; E83-K152 WeakPolarHBondContact OE2-CE 3.29Å; E83-K152 IonicContact OE2-NZ 3.78Å; E83-K152 PolarHBondContact OE2-NZ 3.48Å
84L94.8Very high92.5Very high35 Ų3545.1 Ų45.118%0.18323%0.233CC..  trans-78.4132.8169.6-174.265.7000109.8L17 R27 D38 A40 M82 K136L17-L84 HydrophobicContact CD1-CD1 3.44Å; L17-L84 VanDerWaalsContact CD1-CD1 3.44Å; R27-L84 HydrophobicContact CG-CD2 4.14Å; D38-L84 HydrophobicContact CB-CD2 3.74Å; A40-L84 HydrophobicContact CB-CD1 4.1Å; M82-L84 PolarHBondContact O-N 3Å; L84-K136 WeakPolarHBondContact O-CE 3.39Å
85C95.4Very high92.9Very high19 Ų1947.7 Ų47.713%0.12825%0.245CC..  trans-116.2160.3174.4-62.50000109.9L134 L135 K136C85-L134 HydrophobicContact CB-CB 3.64Å; C85-L134 HydrophobicContact CB-CD1 3.99Å; C85-L134 HydrophobicContact CB-CG 4.4Å; C85-L135 WeakPolarHBondContact CB-O 3.46Å; C85-K136 HydrophobicContact CB-CG 4.46Å
86D94.3Very high93.2Very high102 Ų10244.2 Ų44.255%0.54523%0.229SC..SBendtrans-77.9-32-171.9-59-47.5000113L135 K136 Y137D86-L135 PolarHBondContact N-O 3.33Å; D86-K136 VanDerWaalsContact OD2-CA 3.24Å; D86-K136 WeakPolarHBondContact OD2-CA 3.19Å; D86-Y137 HydrophobicContact CB-CD2 3.44Å; D86-Y137 VanDerWaalsContact CB-CD2 3.44Å; D86-Y137 HydrophobicContact CB-CE2 3.72Å; D86-Y137 HydrophobicContact CB-CG 4.43Å; D86-Y137 PolarHBondContact OD2-N 3.05Å
87S94.2Very high93.5Very high28 Ų2840 Ų4020%0.19622%0.216CC..EExtended strand (participates in β ladder)trans-161.4177.4-177.5-167.30000111.9A91 L134 L135 Y137S87-A91 WeakPolarHBondContact OG-CB 3.18Å; S87-L134 WeakPolarHBondContact O-CA 3.46Å; S87-L135 PolarHBondContact N-O 2.88Å; S87-L135 PolarHBondContact O-N 2.84Å; S87-Y137 WeakPolarHBondContact CB-OH 2.92Å; S87-Y137 PolarHBondContact OG-OH 3.16Å
88S95.7Very high93.8Very high24 Ų2438.3 Ų38.317%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-103.8156164.964.80000110.8H90 A91 M92 I133S88-H90 PolarHBondContact O-N 2.95Å; S88-A91 PolarHBondContact O-N 3.26Å; S88-A91 PolarHBondContact OG-N 3.01Å; S88-M92 PolarHBondContact O-N 2.87Å; S88-I133 CarbonylContact C-O 3.57Å; S88-I133 WeakPolarHBondContact CA-O 3.11Å
89L97.5Very high94.2Very high0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-60.2-33.5171.7-179.261000111.3M92 I93 L99 V107 P130 I133 L135 V203L89-M92 PolarHBondContact O-N 3.48Å; L89-I93 HydrophobicContact CD1-CD1 4.25Å; L89-I93 HydrophobicContact CD1-CG1 4.31Å; L89-I93 HydrophobicContact CG-CD1 3.92Å; L89-I93 HydrophobicContact CG-CG1 4.42Å; L89-I93 WeakPolarHBondContact O-CG1 3.14Å; L89-I93 PolarHBondContact O-N 3.28Å; L89-L99 HydrophobicContact CD1-CD1 4.23Å; L89-L99 HydrophobicContact CD1-CD2 3.87Å; L89-V107 HydrophobicContact CD1-CG2 3.86Å; L89-V107 HydrophobicContact CD2-CG1 3.95Å; L89-V107 HydrophobicContact CD2-CG2 4.4Å; L89-P130 HydrophobicContact CB-CB 4.14Å; L89-P130 WeakPolarHBondContact CB-O 3.46Å; L89-P130 HydrophobicContact CD2-CB 4.35Å; L89-P130 HydrophobicContact CG-CB 4.1Å; L89-P130 PolarHBondContact N-O 2.9Å; L89-I133 HydrophobicContact CB-CB 3.99Å; L89-I133 HydrophobicContact CB-CG2 4.04Å; L89-I133 WeakPolarHBondContact CB-O 3.12Å; L89-I133 HydrophobicContact CD2-CB 4.13Å; L89-I133 HydrophobicContact CD2-CD1 3.92Å; L89-I133 HydrophobicContact CD2-CG2 3.94Å; L89-I133 PolarHBondContact N-O 2.73Å; L89-L135 HydrophobicContact CB-CD1 4.48Å; L89-L135 HydrophobicContact CD1-CD1 4.47Å; L89-V203 HydrophobicContact CD2-CG1 3.62Å
90H95.9Very high94.5Very high75 Ų7540.1 Ų40.135%0.34723%0.233SC..Hα-helixtrans-57.2-51.2173-178.671.4000112S88 M92 I93 Q94 P130 A131S88-H90 PolarHBondContact O-N 2.95Å; H90-M92 VanDerWaalsContact C-N 3.27Å; H90-M92 PolarHBondContact O-N 3.13Å; H90-I93 PolarHBondContact O-N 3.49Å; H90-Q94 VanDerWaalsContact O-CG 3.3Å; H90-Q94 WeakPolarHBondContact O-CG 3.44Å; H90-Q94 PolarHBondContact O-N 2.78Å; H90-P130 HydrophobicContact CB-CB 3.83Å; H90-P130 PolarHBondContact N-O 3.23Å; H90-A131 HydrophobicContact CB-CB 4.14Å
91A94.7Very high94.8Very high41 Ų4142 Ų4234%0.33924%0.242SC..Hα-helixtrans-62.3-36.9-179.700000111.9S87 S88 Q95S87-A91 WeakPolarHBondContact OG-CB 3.18Å; S88-A91 PolarHBondContact O-N 3.26Å; S88-A91 PolarHBondContact OG-N 3.01Å; A91-Q95 WeakPolarHBondContact O-CB 3.48Å; A91-Q95 PolarHBondContact O-N 3.38Å
92M95.6Very high94.9Very high1 Ų148 Ų481%0.00527%0.274CS..Hα-helixtrans-66.7-46.1175.7-170.7170.2-169.200112.6S88 L89 H90 Q94 Q95 E96 N103 L135 Y137 I148S88-M92 PolarHBondContact O-N 2.87Å; L89-M92 PolarHBondContact O-N 3.48Å; H90-M92 VanDerWaalsContact C-N 3.27Å; H90-M92 PolarHBondContact O-N 3.13Å; M92-Q94 VanDerWaalsContact C-N 3.32Å; M92-Q94 PolarHBondContact O-N 2.65Å; M92-Q95 PolarHBondContact O-N 3.2Å; M92-E96 WeakPolarHBondContact CE-OE1 3.35Å; M92-E96 HydrophobicContact CG-CG 4.45Å; M92-E96 WeakPolarHBondContact O-CB 3.28Å; M92-E96 PolarHBondContact O-N 3.21Å; M92-N103 HydrophobicContact CE-CB 4.11Å; M92-N103 WeakPolarHBondContact CE-ND2 3.45Å; M92-L135 HydrophobicContact CB-CD1 4.01Å; M92-L135 HydrophobicContact CG-CD1 4.45Å; M92-L135 HydrophobicContact SD-CD1 3.48Å; M92-L135 WeakPolarHBondContact SD-CD1 3.11Å; M92-Y137 HydrophobicContact CE-CE1 4.49Å; M92-Y137 HydrophobicContact SD-CE1 4.16Å; M92-I148 HydrophobicContact CE-CD1 4.21Å; M92-I148 HydrophobicContact CE-CG1 4.16Å; M92-I148 HydrophobicContact SD-CD1 3.79Å; M92-I148 HydrophobicContact SD-CG1 4Å
93I96.2Very high95.1Very high3 Ų347.6 Ų47.62%0.01527%0.273CS..Hα-helixtrans-60.1-43.3175.5-68.5167000110.5L89 H90 Q95 G97 L99 P130 E206L89-I93 HydrophobicContact CD1-CD1 4.25Å; L89-I93 HydrophobicContact CD1-CG1 4.31Å; L89-I93 HydrophobicContact CG-CD1 3.92Å; L89-I93 HydrophobicContact CG-CG1 4.42Å; L89-I93 WeakPolarHBondContact O-CG1 3.14Å; L89-I93 PolarHBondContact O-N 3.28Å; H90-I93 PolarHBondContact O-N 3.49Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.44Å; I93-G97 CarbonylContact O-C 3.43Å; I93-G97 WeakPolarHBondContact O-CA 3.49Å; I93-G97 PolarHBondContact O-N 2.81Å; I93-L99 HydrophobicContact CD1-CD1 4.38Å; I93-L99 HydrophobicContact CG1-CD1 3.54Å; I93-P130 HydrophobicContact CD1-CB 4.08Å; I93-P130 HydrophobicContact CD1-CG 4.1Å; I93-E206 HydrophobicContact CD1-CG 4.18Å; I93-E206 HydrophobicContact CG2-CG 4.31Å
94Q94.6Very high95.2Very high128 Ų12846.9 Ų46.960%0.59827%0.269SS*.Hα-helixtrans-62.7-36.1177-70.3-62.2-3300112.7H90 M92H90-Q94 VanDerWaalsContact O-CG 3.3Å; H90-Q94 WeakPolarHBondContact O-CG 3.44Å; H90-Q94 PolarHBondContact O-N 2.78Å; M92-Q94 VanDerWaalsContact C-N 3.32Å; M92-Q94 PolarHBondContact O-N 2.65Å
95Q93.6Very high95.4Very high137 Ų13747.3 Ų47.364%0.6427%0.27SS*.Hα-helixtrans-77.5-42.6179.8-174.3-176.5-29.200112.7A91 M92 I93A91-Q95 WeakPolarHBondContact O-CB 3.48Å; A91-Q95 PolarHBondContact O-N 3.38Å; M92-Q95 PolarHBondContact O-N 3.2Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.44Å
96E92.8Very high95.5Very high72 Ų7248 Ų4834%0.33628%0.275SS..Hα-helixtrans-98-11.9-171.7-63.2-176.3-171.100113.4M92 S98M92-E96 WeakPolarHBondContact CE-OE1 3.35Å; M92-E96 HydrophobicContact CG-CG 4.45Å; M92-E96 WeakPolarHBondContact O-CB 3.28Å; M92-E96 PolarHBondContact O-N 3.21Å; E96-S98 PolarHBondContact O-N 3.39Å
97G94.4Very high95.7Very high39 Ų3943.1 Ų43.140%0.40225%0.249SC..SBendtrans75.3-61.9-170.700000111.3I93 G210I93-G97 CarbonylContact O-C 3.43Å; I93-G97 WeakPolarHBondContact O-CA 3.49Å; I93-G97 PolarHBondContact O-N 2.81Å; G97-G210 WeakPolarHBondContact O-CA 3.45Å
98S94.9Very high95.9Very high42 Ų4241.9 Ų41.929%0.29424%0.241SC..SBendtrans-140.2152.8174.173.90000110.6E96 L208 K243E96-S98 PolarHBondContact O-N 3.39Å; S98-L208 WeakPolarHBondContact CB-O 3.41Å; S98-K243 PolarHBondContact OG-NZ 2.92Å
99L96.1Very high96Very high0 Ų043 Ų430%025%0.246CC..  trans-74.5143.7-177-7672.5000111.2L89 I93 N103 F104 V107 I148 C207 K243L89-L99 HydrophobicContact CD1-CD1 4.23Å; L89-L99 HydrophobicContact CD1-CD2 3.87Å; I93-L99 HydrophobicContact CD1-CD1 4.38Å; I93-L99 HydrophobicContact CG1-CD1 3.54Å; L99-N103 HydrophobicContact CB-CB 4.32Å; L99-N103 HydrophobicContact CD2-CB 4.03Å; L99-N103 HydrophobicContact CG-CB 4.36Å; L99-F104 HydrophobicContact CB-CB 4.31Å; L99-V107 HydrophobicContact CD2-CG2 3.83Å; L99-I148 HydrophobicContact CD2-CD1 4.36Å; L99-C207 HydrophobicContact CD1-CB 3.83Å; L99-C207 HydrophobicContact CD2-CB 4.28Å; L99-C207 HydrophobicContact CG-CB 4.49Å; L99-C207 PolarHBondContact N-O 3.05Å; L99-K243 PolarHBondContact O-NZ 2.84Å
100G94.9Very high96Very high41 Ų4143.1 Ų43.142%0.42325%0.248SC..  trans-63158159.300000111.3D102 N103 F104G100-D102 VanDerWaalsContact C-N 3.33Å; G100-D102 PolarHBondContact O-N 2.94Å; G100-N103 PolarHBondContact O-N 3.42Å; G100-F104 PolarHBondContact O-N 3.42Å
101M95.8Very high96.1Very high51 Ų5139.6 Ų39.625%0.25123%0.231SC..Hα-helixtrans-61.6-38.3-173-72.6-52.3-56.800113.2N103 F104 E105 L208 K243 H248M101-N103 PolarHBondContact O-N 2.75Å; M101-F104 HydrophobicContact CE-CD1 3.74Å; M101-F104 HydrophobicContact CE-CE1 4.39Å; M101-F104 PolarHBondContact O-N 2.9Å; M101-E105 WeakPolarHBondContact O-CB 3.49Å; M101-E105 WeakPolarHBondContact O-CG 3.5Å; M101-E105 PolarHBondContact O-N 3.01Å; M101-L208 HydrophobicContact SD-CD2 4.14Å; M101-K243 HydrophobicContact CG-CB 4.12Å; M101-K243 HydrophobicContact SD-CB 3.82Å; M101-K243 HydrophobicContact SD-CD 3.99Å; M101-K243 HydrophobicContact SD-CG 3.88Å; M101-H248 WeakPolarHBondContact CE-CE1 3.48Å
102D94.7Very high96.3Very high129 Ų12937.6 Ų37.669%0.6922%0.215SC*.Hα-helixtrans-60.8-46.5178.5-62-19.2000111.7G100 E105 S106G100-D102 VanDerWaalsContact C-N 3.33Å; G100-D102 PolarHBondContact O-N 2.94Å; D102-E105 PolarHBondContact O-N 2.74Å; D102-S106 PolarHBondContact O-N 3.08Å; D102-S106 PolarHBondContact O-OG 2.67Å
103N96.3Very high96.3Very high16 Ų1638.9 Ų38.99%0.08622%0.224CC..Hα-helixtrans-67.2-39176.4-75.6-28.4000111.8M92 L99 G100 M101 E105 S106 V107 K146 T147 I148M92-N103 HydrophobicContact CE-CB 4.11Å; M92-N103 WeakPolarHBondContact CE-ND2 3.45Å; L99-N103 HydrophobicContact CB-CB 4.32Å; L99-N103 HydrophobicContact CD2-CB 4.03Å; L99-N103 HydrophobicContact CG-CB 4.36Å; G100-N103 PolarHBondContact O-N 3.42Å; M101-N103 PolarHBondContact O-N 2.75Å; N103-E105 VanDerWaalsContact C-N 3.31Å; N103-E105 PolarHBondContact O-N 3.3Å; N103-S106 PolarHBondContact O-N 3.21Å; N103-V107 WeakPolarHBondContact O-CG2 3.39Å; N103-V107 PolarHBondContact O-N 3.02Å; N103-K146 PolarHBondContact ND2-O 3.17Å; N103-T147 WeakPolarHBondContact OD1-CA 3.44Å; N103-I148 HydrophobicContact CB-CD1 3.79Å; N103-I148 HydrophobicContact CB-CG1 4.28Å; N103-I148 WeakPolarHBondContact OD1-CG1 3.36Å; N103-I148 PolarHBondContact OD1-N 2.8Å
104F97.8Very high96.4Very high1 Ų138.8 Ų38.80%0.00422%0.224CC..Hα-helixtrans-60.2-41.9174.1174-98.9000111.6L99 G100 M101 V107 L108 L204 C207 L208 H248 I252L99-F104 HydrophobicContact CB-CB 4.31Å; G100-F104 PolarHBondContact O-N 3.42Å; M101-F104 HydrophobicContact CE-CD1 3.74Å; M101-F104 HydrophobicContact CE-CE1 4.39Å; M101-F104 PolarHBondContact O-N 2.9Å; F104-V107 PolarHBondContact O-N 2.77Å; F104-L108 HydrophobicContact CE1-CB 4.48Å; F104-L108 HydrophobicContact CE1-CD2 4.28Å; F104-L108 WeakPolarHBondContact O-CB 3.45Å; F104-L108 PolarHBondContact O-N 2.84Å; F104-L204 HydrophobicContact CE2-CB 4.28Å; F104-L204 HydrophobicContact CE2-CD2 4.03Å; F104-L204 WeakPolarHBondContact CE2-O 3.49Å; F104-L204 HydrophobicContact CZ-CD2 4.43Å; F104-C207 HydrophobicContact CD2-CB 3.81Å; F104-C207 HydrophobicContact CE2-CB 4.25Å; F104-L208 HydrophobicContact CB-CD2 4.48Å; F104-L208 HydrophobicContact CD1-CD2 3.91Å; F104-L208 HydrophobicContact CD2-CD2 3.62Å; F104-L208 HydrophobicContact CD2-CG 3.7Å; F104-L208 HydrophobicContact CE1-CD1 4.39Å; F104-L208 HydrophobicContact CE1-CD2 4.02Å; F104-L208 HydrophobicContact CE1-CG 4.39Å; F104-L208 HydrophobicContact CE2-CD1 3.84Å; F104-L208 HydrophobicContact CE2-CD2 3.75Å; F104-L208 HydrophobicContact CE2-CG 3.43Å; F104-L208 VanDerWaalsContact CE2-CG 3.43Å; F104-L208 HydrophobicContact CG-CD2 3.71Å; F104-L208 HydrophobicContact CG-CG 4.31Å; F104-L208 HydrophobicContact CZ-CD1 3.74Å; F104-L208 HydrophobicContact CZ-CD2 3.94Å; F104-L208 HydrophobicContact CZ-CG 3.81Å; F104-H248 HydrophobicContact CE1-CB 4.43Å; F104-H248 AromaticContact CE1-CD2 3.76Å; F104-H248 AromaticContact CE1-CG 3.87Å; F104-I252 HydrophobicContact CZ-CD1 4.35Å
105E97.5Very high96.5Very high44 Ų4432.7 Ų32.721%0.20620%0.195CC..Hα-helixtrans-68.1-36.8179.4-68.3-71.6-152.500112.2M101 D102 N103 V107 L108 T109 H248 R276M101-E105 WeakPolarHBondContact O-CB 3.49Å; M101-E105 WeakPolarHBondContact O-CG 3.5Å; M101-E105 PolarHBondContact O-N 3.01Å; D102-E105 PolarHBondContact O-N 2.74Å; N103-E105 VanDerWaalsContact C-N 3.31Å; N103-E105 PolarHBondContact O-N 3.3Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.9Å; E105-L108 PolarHBondContact O-N 2.89Å; E105-L108 WeakPolarHBondContact OE2-CD2 3.46Å; E105-T109 WeakPolarHBondContact O-CB 3.22Å; E105-T109 WeakPolarHBondContact O-CG2 3.35Å; E105-T109 PolarHBondContact O-N 3.36Å; E105-T109 PolarHBondContact O-OG1 3.06Å; E105-H248 IonicContact OE1-CE1 2.61Å; E105-H248 IonicContact OE1-NE2 2.8Å; E105-H248 PolarHBondContact OE1-NE2 3.29Å; E105-H248 IonicContact OE2-NE2 3.52Å; E105-R276 IonicContact OE1-CZ 3.65Å; E105-R276 IonicContact OE1-NH1 3.77Å; E105-R276 PolarHBondContact OE1-NH1 3.24Å; E105-R276 IonicContact OE1-NH2 3.37Å; E105-R276 PolarHBondContact OE1-NH2 2.99Å; E105-R276 IonicContact OE2-CZ 2.73Å; E105-R276 IonicContact OE2-NH1 3.6Å; E105-R276 PolarHBondContact OE2-NH1 2.95Å; E105-R276 IonicContact OE2-NH2 2.98Å; E105-R276 PolarHBondContact OE2-NH2 2.83Å
106S97.7Very high96.5Very high34 Ų3427.6 Ų27.624%0.23817%0.171CC..Hα-helixtrans-60.9-41.3169.8-67.80000112D102 N103 T109 G110 I148 V151D102-S106 PolarHBondContact O-N 3.08Å; D102-S106 PolarHBondContact O-OG 2.67Å; N103-S106 PolarHBondContact O-N 3.21Å; S106-T109 PolarHBondContact O-OG1 3.26Å; S106-G110 WeakPolarHBondContact O-CA 3.46Å; S106-G110 PolarHBondContact O-N 2.79Å; S106-I148 PolarHBondContact OG-O 2.61Å; S106-V151 WeakPolarHBondContact O-CG2 3.48Å
107V98.5Very high96.5Very high0 Ų024.9 Ų24.90%016%0.161CC..Hα-helixtrans-66.5-46.9175.4174.70000111.8L89 L99 N103 F104 E105 T109 G110 L111 I148 V151 L204L89-V107 HydrophobicContact CD1-CG2 3.86Å; L89-V107 HydrophobicContact CD2-CG1 3.95Å; L89-V107 HydrophobicContact CD2-CG2 4.4Å; L99-V107 HydrophobicContact CD2-CG2 3.83Å; N103-V107 WeakPolarHBondContact O-CG2 3.39Å; N103-V107 PolarHBondContact O-N 3.02Å; F104-V107 PolarHBondContact O-N 2.77Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.9Å; V107-T109 PolarHBondContact O-N 2.93Å; V107-G110 PolarHBondContact O-N 2.78Å; V107-L111 HydrophobicContact CG1-CD1 3.68Å; V107-L111 HydrophobicContact CG1-CG 4.22Å; V107-L111 VanDerWaalsContact O-CB 3.29Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 WeakPolarHBondContact O-CG 3.48Å; V107-L111 PolarHBondContact O-N 3.42Å; V107-I148 HydrophobicContact CG2-CD1 3.82Å; V107-V151 HydrophobicContact CG2-CG2 4.12Å; V107-L204 HydrophobicContact CG1-CD2 4.13Å
108L98.5Very high96.5Very high2 Ų223 Ų231%0.0114%0.142CC..Hα-helixtrans-58.1-52.1-179.8177.562.1000111.3F104 E105 A112 L204 I251 F269 A273F104-L108 HydrophobicContact CE1-CB 4.48Å; F104-L108 HydrophobicContact CE1-CD2 4.28Å; F104-L108 WeakPolarHBondContact O-CB 3.45Å; F104-L108 PolarHBondContact O-N 2.84Å; E105-L108 PolarHBondContact O-N 2.89Å; E105-L108 WeakPolarHBondContact OE2-CD2 3.46Å; L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.43Å; L108-A112 PolarHBondContact O-N 3.47Å; L108-A112 VanDerWaalsContact O-N 3.12Å; L108-L204 HydrophobicContact CB-CD2 4.29Å; L108-L204 HydrophobicContact CD1-CD1 3.69Å; L108-L204 HydrophobicContact CD1-CD2 4.06Å; L108-I251 HydrophobicContact CD1-CD1 4.34Å; L108-I251 HydrophobicContact CD1-CG2 4.21Å; L108-I251 HydrophobicContact CD2-CD1 4.28Å; L108-F269 HydrophobicContact CD1-CE2 3.71Å; L108-F269 HydrophobicContact CD1-CZ 4.12Å; L108-A273 HydrophobicContact CD1-CB 4.11Å; L108-A273 HydrophobicContact CG-CB 3.98Å
109T97.9Very high96.3Very high46 Ų4622.8 Ų22.828%0.28214%0.14SC..Hα-helixtrans-70.6-41.1-178.155.70000111.9E105 S106 V107 A112 S113 I274E105-T109 WeakPolarHBondContact O-CB 3.22Å; E105-T109 WeakPolarHBondContact O-CG2 3.35Å; E105-T109 PolarHBondContact O-N 3.36Å; E105-T109 PolarHBondContact O-OG1 3.06Å; S106-T109 PolarHBondContact O-OG1 3.26Å; V107-T109 PolarHBondContact O-N 2.93Å; T109-A112 PolarHBondContact O-N 2.99Å; T109-S113 WeakPolarHBondContact O-CB 3.24Å; T109-S113 PolarHBondContact O-N 3.11Å; T109-I274 HydrophobicContact CG2-CD1 4.03Å
110G98.1Very high96Very high4 Ų426.8 Ų26.84%0.04116%0.162CC..Hα-helixtrans-65.2-43.3179.200000113.3N64 S106 V107 G114N64-G110 VanDerWaalsContact CB-O 3.3Å; N64-G110 WeakPolarHBondContact CB-O 3.01Å; N64-G110 WeakPolarHBondContact ND2-CA 3.4Å; S106-G110 WeakPolarHBondContact O-CA 3.46Å; S106-G110 PolarHBondContact O-N 2.79Å; V107-G110 PolarHBondContact O-N 2.78Å; G110-G114 PolarHBondContact O-N 3.11Å
111L98.3Very high95.7Very high0 Ų027.6 Ų27.60%016%0.156CC..Hα-helixtrans-63.8-41.4173.4-76175.7000112V107 Y115 I133 I153 I200 V203 L204 F269V107-L111 HydrophobicContact CG1-CD1 3.68Å; V107-L111 HydrophobicContact CG1-CG 4.22Å; V107-L111 VanDerWaalsContact O-CB 3.29Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 WeakPolarHBondContact O-CG 3.48Å; V107-L111 PolarHBondContact O-N 3.42Å; L111-Y115 WeakPolarHBondContact O-CB 3.38Å; L111-Y115 PolarHBondContact O-N 3.38Å; L111-I133 HydrophobicContact CD1-CD1 4.12Å; L111-I133 HydrophobicContact CD2-CD1 3.73Å; L111-I133 HydrophobicContact CD2-CG1 3.95Å; L111-I133 HydrophobicContact CD2-CG2 4.35Å; L111-I133 HydrophobicContact CG-CD1 4.47Å; L111-I153 HydrophobicContact CD2-CD1 4.27Å; L111-I153 HydrophobicContact CD2-CG1 4Å; L111-I200 HydrophobicContact CD1-CG2 4.3Å; L111-V203 HydrophobicContact CD1-CG1 4.16Å; L111-L204 HydrophobicContact CD1-CD2 4.15Å; L111-F269 HydrophobicContact CB-CE1 4.45Å; L111-F269 HydrophobicContact CB-CZ 4.48Å
112A97.9Very high95.3Very high0 Ų026.3 Ų26.30%016%0.155CC..Hα-helixtrans-61.9-46.3178.600000112.3L108 T109 K116 F269 A273 I274L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.43Å; L108-A112 PolarHBondContact O-N 3.47Å; L108-A112 VanDerWaalsContact O-N 3.12Å; T109-A112 PolarHBondContact O-N 2.99Å; A112-K116 WeakPolarHBondContact O-CB 3.45Å; A112-K116 PolarHBondContact O-N 3.17Å; A112-K116 VanDerWaalsContact O-N 3.13Å; A112-F269 HydrophobicContact CB-CD1 4.08Å; A112-F269 HydrophobicContact CB-CE1 3.7Å; A112-F269 HydrophobicContact CB-CE2 4.29Å; A112-F269 HydrophobicContact CB-CZ 3.8Å; A112-A273 HydrophobicContact CB-CB 3.41Å; A112-A273 VanDerWaalsContact CB-CB 3.41Å; A112-I274 HydrophobicContact CB-CD1 4.33Å; A112-I274 HydrophobicContact CB-CG1 4.37Å
113S96.8Very high95Very high28 Ų2820.2 Ų20.220%0.19612%0.123CC..Hα-helixtrans-64.9-51.3175.8174.30000112N64 T109 K116 A117N64-S113 WeakPolarHBondContact OD1-CB 3.34Å; N64-S113 PolarHBondContact OD1-OG 3.43Å; T109-S113 WeakPolarHBondContact O-CB 3.24Å; T109-S113 PolarHBondContact O-N 3.11Å; S113-K116 PolarHBondContact O-N 2.73Å; S113-A117 PolarHBondContact O-N 3.11Å; S113-A117 VanDerWaalsContact O-N 3.09Å
114G96.7Very high94.7Very high0 Ų019.5 Ų19.50%012%0.119CC..Hα-helixtrans-64.6-45.3-176.700000112.8G110 K116 A117 L118G110-G114 PolarHBondContact O-N 3.11Å; G114-K116 VanDerWaalsContact C-N 3.35Å; G114-A117 WeakPolarHBondContact O-CB 3.21Å; G114-A117 PolarHBondContact O-N 2.89Å; G114-L118 PolarHBondContact O-N 2.63Å; G114-L118 VanDerWaalsContact O-N 3.13Å
115Y96.5Very high94.4Very high0 Ų019.5 Ų19.50%012%0.119CC..Hα-helixtrans-71.4-32.9-179.8-167-105.4000112.1L111 A117 L118 S119 L128 S193 D196 M197 I200 P266L111-Y115 WeakPolarHBondContact O-CB 3.38Å; L111-Y115 PolarHBondContact O-N 3.38Å; Y115-A117 VanDerWaalsContact C-N 3.29Å; Y115-A117 PolarHBondContact O-N 2.65Å; Y115-L118 HydrophobicContact CD2-CD1 4.21Å; Y115-L118 PolarHBondContact O-N 3.39Å; Y115-S119 WeakPolarHBondContact O-CB 2.96Å; Y115-S119 PolarHBondContact O-N 3.09Å; Y115-L128 HydrophobicContact CD2-CD1 3.83Å; Y115-L128 HydrophobicContact CE2-CD1 3.98Å; Y115-S193 PolarHBondContact OH-O 2.87Å; Y115-D196 HydrophobicContact CD2-CB 4.44Å; Y115-D196 HydrophobicContact CE1-CB 4.14Å; Y115-D196 HydrophobicContact CE2-CB 3.47Å; Y115-D196 VanDerWaalsContact CE2-CB 3.47Å; Y115-D196 WeakPolarHBondContact CE2-OD2 3.28Å; Y115-D196 WeakPolarHBondContact OH-CB 3.45Å; Y115-D196 PolarHBondContact OH-OD2 3.07Å; Y115-M197 HydrophobicContact CD1-SD 3.64Å; Y115-M197 HydrophobicContact CE1-CG 4.45Å; Y115-M197 HydrophobicContact CE1-SD 3.44Å; Y115-M197 WeakPolarHBondContact CE1-SD 3.41Å; Y115-I200 HydrophobicContact CD1-CD1 3.81Å; Y115-I200 HydrophobicContact CD2-CD1 4.08Å; Y115-I200 HydrophobicContact CE1-CD1 4.46Å; Y115-I200 HydrophobicContact CG-CD1 3.62Å; Y115-P266 HydrophobicContact CD1-CB 4.15Å; Y115-P266 HydrophobicContact CD1-CG 4.31Å; Y115-P266 HydrophobicContact CE1-CB 4.15Å; Y115-P266 HydrophobicContact CE1-CG 3.81Å
116K94.2Very high94Very high30 Ų3018 Ų1813%0.1311%0.112CC..Hα-helixtrans-61.4-40.4172.4-176.361.9171.867.40111.8A112 S113 G114 S119 D120 H270A112-K116 WeakPolarHBondContact O-CB 3.45Å; A112-K116 PolarHBondContact O-N 3.17Å; A112-K116 VanDerWaalsContact O-N 3.13Å; S113-K116 PolarHBondContact O-N 2.73Å; G114-K116 VanDerWaalsContact C-N 3.35Å; K116-S119 PolarHBondContact O-N 3.27Å; K116-D120 IonicContact NZ-OD1 3.49Å; K116-D120 PolarHBondContact NZ-OD1 2.73Å; K116-D120 IonicContact NZ-OD2 3.92Å; K116-D120 PolarHBondContact NZ-OD2 3.39Å; K116-D120 WeakPolarHBondContact O-CB 3.32Å; K116-D120 VanDerWaalsContact O-CG 3.29Å; K116-D120 PolarHBondContact O-N 3.2Å; K116-H270 HydrophobicContact CB-CB 4.1Å; K116-H270 HydrophobicContact CD-CB 4.14Å; K116-H270 HydrophobicContact CG-CB 4.03Å
117A93.6Very high93.6Very high16 Ų1616.8 Ų16.813%0.13210%0.102CC..Hα-helixtrans-63.9-44.3176.200000112N62 I65 S113 G114 Y115 D120 I121N62-A117 HydrophobicContact CB-CB 3.92Å; N62-A117 WeakPolarHBondContact ND2-CB 3.34Å; I65-A117 HydrophobicContact CD1-CB 3.99Å; S113-A117 PolarHBondContact O-N 3.11Å; S113-A117 VanDerWaalsContact O-N 3.09Å; G114-A117 WeakPolarHBondContact O-CB 3.21Å; G114-A117 PolarHBondContact O-N 2.89Å; Y115-A117 VanDerWaalsContact C-N 3.29Å; Y115-A117 PolarHBondContact O-N 2.65Å; A117-D120 PolarHBondContact O-N 3.02Å; A117-I121 PolarHBondContact O-N 3.04Å
118L93.3Very high93.4Very high0 Ų016.9 Ų16.90%010%0.103CC..Hα-helixtrans-60.3-47.7173.6-68.2172.6000111.9I57 I65 G114 Y115 D120 I121 G122 I123 I153 F156I57-L118 HydrophobicContact CG1-CD2 4.1Å; I65-L118 HydrophobicContact CD1-CD2 3.6Å; I65-L118 HydrophobicContact CD1-CG 3.68Å; I65-L118 HydrophobicContact CG1-CD2 4.38Å; I65-L118 HydrophobicContact CG1-CG 4.29Å; G114-L118 PolarHBondContact O-N 2.63Å; G114-L118 VanDerWaalsContact O-N 3.13Å; Y115-L118 HydrophobicContact CD2-CD1 4.21Å; Y115-L118 PolarHBondContact O-N 3.39Å; L118-D120 VanDerWaalsContact C-N 3.3Å; L118-D120 PolarHBondContact O-N 3.09Å; L118-I121 WeakPolarHBondContact O-CG1 3.25Å; L118-I121 PolarHBondContact O-N 3.38Å; L118-G122 PolarHBondContact O-N 2.75Å; L118-I123 HydrophobicContact CB-CB 4.25Å; L118-I123 HydrophobicContact CB-CG2 4.44Å; L118-I123 HydrophobicContact CD2-CB 4.2Å; L118-I123 HydrophobicContact CD2-CG2 3.98Å; L118-I123 PolarHBondContact O-N 3.44Å; L118-I153 HydrophobicContact CD1-CD1 4.1Å; L118-I153 HydrophobicContact CD1-CG2 3.97Å; L118-F156 HydrophobicContact CD1-CE1 3.87Å; L118-F156 HydrophobicContact CD2-CE1 3.76Å; L118-F156 HydrophobicContact CD2-CZ 4.28Å; L118-F156 HydrophobicContact CG-CE1 4.48Å
119S91.7Very high93.3Very high37 Ų3718.6 Ų18.626%0.25911%0.11SC..Hα-helixtrans-62.8-36.2179.7175.20000112.4Y115 K116 I121 G122Y115-S119 WeakPolarHBondContact O-CB 2.96Å; Y115-S119 PolarHBondContact O-N 3.09Å; K116-S119 PolarHBondContact O-N 3.27Å; S119-I121 VanDerWaalsContact C-N 3.27Å; S119-I121 PolarHBondContact O-N 3.39Å; S119-G122 PolarHBondContact O-N 2.9Å; S119-G122 VanDerWaalsContact O-N 3.08Å
120D89.5Confident93.2Very high83 Ų8316.5 Ų16.544%0.44410%0.097SC..Hα-helixtrans-65-29.6178-82.4-31.2000113.3K116 A117 L118 K321K116-D120 IonicContact NZ-OD1 3.49Å; K116-D120 PolarHBondContact NZ-OD1 2.73Å; K116-D120 IonicContact NZ-OD2 3.92Å; K116-D120 PolarHBondContact NZ-OD2 3.39Å; K116-D120 WeakPolarHBondContact O-CB 3.32Å; K116-D120 VanDerWaalsContact O-CG 3.29Å; K116-D120 PolarHBondContact O-N 3.2Å; A117-D120 PolarHBondContact O-N 3.02Å; L118-D120 VanDerWaalsContact C-N 3.3Å; L118-D120 PolarHBondContact O-N 3.09Å; D120-K321 IonicContact OD1-NZ 2.94Å; D120-K321 PolarHBondContact OD1-NZ 3.35Å; D120-K321 VanDerWaalsContact OD1-NZ 3.13Å; D120-K321 IonicContact OD2-NZ 3.13Å; D120-K321 PolarHBondContact OD2-NZ 3.04Å
121I89Confident93Very high58 Ų5818.3 Ų18.330%0.29711%0.112SC..THydrogen-bonded Turntrans-94.18.4174.364.2165.1000112.9A56 I57 A60 A117 L118 S119 I123A56-I121 HydrophobicContact CB-CD1 4.22Å; I57-I121 HydrophobicContact CG1-CD1 4.24Å; A60-I121 HydrophobicContact CB-CD1 3.98Å; A60-I121 HydrophobicContact CB-CG2 4.23Å; A117-I121 PolarHBondContact O-N 3.04Å; L118-I121 WeakPolarHBondContact O-CG1 3.25Å; L118-I121 PolarHBondContact O-N 3.38Å; S119-I121 VanDerWaalsContact C-N 3.27Å; S119-I121 PolarHBondContact O-N 3.39Å; I121-I123 HydrophobicContact CD1-CB 4.37Å; I121-I123 HydrophobicContact CD1-CG1 3.58Å; I121-I123 HydrophobicContact CG1-CB 4.25Å; I121-I123 HydrophobicContact CG1-CG1 3.75Å
122G87.2Confident92.8Very high24 Ų2418.9 Ų18.925%0.24712%0.115CC..THydrogen-bonded Turntrans7520.3177.400000114.6L118 S119 L161 A162L118-G122 PolarHBondContact O-N 2.75Å; S119-G122 PolarHBondContact O-N 2.9Å; S119-G122 VanDerWaalsContact O-N 3.08Å; G122-L161 CarbonylContact O-C 3.58Å; G122-L161 VanDerWaalsContact O-CA 3.31Å; G122-L161 WeakPolarHBondContact O-CA 3.17Å; G122-A162 WeakPolarHBondContact O-CB 3.25Å; G122-A162 PolarHBondContact O-N 2.85Å
123I88.6Confident92.8Very high1 Ų119 Ų191%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-89.9128.3177.6-65.6-69.8000110.9E53 I57 L118 I121 L161E53-I123 HydrophobicContact CB-CD1 3.76Å; E53-I123 HydrophobicContact CG-CD1 3.61Å; I57-I123 HydrophobicContact CD1-CD1 4.44Å; I57-I123 HydrophobicContact CD1-CG1 4.49Å; I57-I123 HydrophobicContact CD1-CG2 4.31Å; I57-I123 HydrophobicContact CG1-CD1 4.42Å; I57-I123 HydrophobicContact CG1-CG1 4.1Å; L118-I123 HydrophobicContact CB-CB 4.25Å; L118-I123 HydrophobicContact CB-CG2 4.44Å; L118-I123 HydrophobicContact CD2-CB 4.2Å; L118-I123 HydrophobicContact CD2-CG2 3.98Å; L118-I123 PolarHBondContact O-N 3.44Å; I121-I123 HydrophobicContact CD1-CB 4.37Å; I121-I123 HydrophobicContact CD1-CG1 3.58Å; I121-I123 HydrophobicContact CG1-CB 4.25Å; I121-I123 HydrophobicContact CG1-CG1 3.75Å; I123-L161 HydrophobicContact CD1-CD2 3.87Å; I123-L161 HydrophobicContact CD1-CG 4.49Å
124I89.8Confident92.9Very high2 Ų219.6 Ų19.61%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-102.6127.4165.4-51.1176.8000107.6R126 S159 R160 A162 L166 I195 D196I124-R126 HydrophobicContact CB-CG 4.27Å; I124-R126 HydrophobicContact CG2-CG 3.63Å; I124-S159 CarbonylContact O-C 3.45Å; I124-S159 WeakPolarHBondContact O-CA 3.48Å; I124-R160 PolarHBondContact N-O 2.73Å; I124-R160 PolarHBondContact O-N 3.46Å; I124-A162 HydrophobicContact CD1-CB 3.92Å; I124-A162 HydrophobicContact CG1-CB 4.03Å; I124-L166 HydrophobicContact CD1-CD1 3.74Å; I124-I195 HydrophobicContact CG2-CD1 4.1Å; I124-I195 HydrophobicContact CG2-CG1 4.11Å; I124-D196 VanDerWaalsContact CG2-OD2 3.24Å; I124-D196 WeakPolarHBondContact CG2-OD2 3.41Å
125H90.8Very high92.9Very high0 Ų019.6 Ų19.60%012%0.117CC..  trans-79.3-45.6-173.6-169.9-57.9000112.9D127 L128 I153 A154 D155 F156 C158 D196H125-D127 VanDerWaalsContact C-N 3.27Å; H125-D127 PolarHBondContact ND1-N 3.37Å; H125-D127 PolarHBondContact O-N 2.98Å; H125-L128 HydrophobicContact CB-CD1 4.34Å; H125-L128 HydrophobicContact CB-CD2 4.32Å; H125-L128 HydrophobicContact CB-CG 3.92Å; H125-I153 WeakPolarHBondContact CD2-CG2 3.46Å; H125-A154 PolarHBondContact CE1-O 3.08Å; H125-A154 PolarHBondContact NE2-O 3.41Å; H125-D155 PolarHBondContact CE1-O 3.07Å; H125-F156 AromaticContact CD2-CD1 3.86Å; H125-F156 AromaticContact CD2-CE1 3.68Å; H125-F156 AromaticContact NE2-CE1 3.98Å; H125-C158 CarbonylContact O-C 3.25Å; H125-C158 WeakPolarHBondContact O-CB 3.28Å; H125-D196 PolarHBondContact N-OD2 3.5Å
126R89.1Confident92.9Very high13 Ų1322.2 Ų22.25%0.04913%0.128CC..SBendtrans67.56.2176.2-45.7-166.5-62.4155.68117.5I124 C158 R160 I195 D196I124-R126 HydrophobicContact CB-CG 4.27Å; I124-R126 HydrophobicContact CG2-CG 3.63Å; R126-C158 HydrophobicContact CB-CB 4.21Å; R126-C158 PolarHBondContact NE-O 2.8Å; R126-C158 PolarHBondContact NH2-O 2.89Å; R126-R160 VanDerWaalsContact NE-CG 3.28Å; R126-R160 VanDerWaalsContact NH2-NE 3.17Å; R126-I195 HydrophobicContact CB-CD1 4.25Å; R126-I195 HydrophobicContact CG-CD1 3.9Å; R126-D196 WeakPolarHBondContact CA-OD1 3.5Å; R126-D196 PolarHBondContact N-OD1 3.4Å
127D89.9Confident92.9Very high9 Ų922 Ų225%0.04813%0.126CC..  trans-152.840.5174.8-168.238.5000110.8H125 K129 N132 C158 G172 T173H125-D127 VanDerWaalsContact C-N 3.27Å; H125-D127 PolarHBondContact ND1-N 3.37Å; H125-D127 PolarHBondContact O-N 2.98Å; D127-K129 VanDerWaalsContact CG-NZ 3.35Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 IonicContact OD1-NZ 3.04Å; D127-K129 PolarHBondContact OD1-NZ 3.37Å; D127-K129 VanDerWaalsContact OD1-NZ 3.15Å; D127-K129 WeakPolarHBondContact OD2-CE 3.18Å; D127-K129 IonicContact OD2-NZ 2.83Å; D127-K129 PolarHBondContact OD2-NZ 2.93Å; D127-N132 PolarHBondContact O-ND2 3.13Å; D127-N132 PolarHBondContact OD2-ND2 2.9Å; D127-C158 HydrophobicContact CB-CB 4.1Å; D127-G172 WeakPolarHBondContact OD1-CA 3.22Å; D127-T173 PolarHBondContact OD1-N 3.38Å; D127-T173 PolarHBondContact OD1-OG1 3.05Å
128L94.9Very high92.7Very high1 Ų127.7 Ų27.71%0.00514%0.144CC..  trans-67.9123.6173.4-75.4174.2000109.7Y115 H125 I153 D196 S199 I200Y115-L128 HydrophobicContact CD2-CD1 3.83Å; Y115-L128 HydrophobicContact CE2-CD1 3.98Å; H125-L128 HydrophobicContact CB-CD1 4.34Å; H125-L128 HydrophobicContact CB-CD2 4.32Å; H125-L128 HydrophobicContact CB-CG 3.92Å; L128-I153 HydrophobicContact CD2-CG2 3.73Å; L128-D196 HydrophobicContact CD1-CB 3.79Å; L128-S199 WeakPolarHBondContact O-CB 3.44Å; L128-I200 HydrophobicContact CD1-CD1 3.85Å; L128-I200 HydrophobicContact CD1-CG1 3.67Å
129K94.6Very high92.1Very high39 Ų3933.8 Ų33.817%0.1718%0.182CC..SBendtrans-160.9163.6178.465.9-164-179.9-155.70108.9D127 A131 N132 I133 T173 Y176D127-K129 VanDerWaalsContact CG-NZ 3.35Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 IonicContact OD1-NZ 3.04Å; D127-K129 PolarHBondContact OD1-NZ 3.37Å; D127-K129 VanDerWaalsContact OD1-NZ 3.15Å; D127-K129 WeakPolarHBondContact OD2-CE 3.18Å; D127-K129 IonicContact OD2-NZ 2.83Å; D127-K129 PolarHBondContact OD2-NZ 2.93Å; K129-A131 HydrophobicContact CG-CB 4.2Å; K129-A131 PolarHBondContact O-N 3.43Å; K129-N132 HydrophobicContact CG-CB 4.2Å; K129-N132 PolarHBondContact O-N 2.88Å; K129-I133 PolarHBondContact O-N 2.9Å; K129-T173 HydrophobicContact CD-CG2 4.47Å; K129-T173 WeakPolarHBondContact CD-OG1 3.42Å; K129-T173 PolarHBondContact NZ-OG1 2.86Å; K129-Y176 HydrophobicContact CB-CD1 4.18Å; K129-Y176 HydrophobicContact CB-CD2 3.78Å; K129-Y176 HydrophobicContact CB-CE1 4.34Å; K129-Y176 HydrophobicContact CB-CE2 3.95Å; K129-Y176 HydrophobicContact CB-CG 3.9Å
130P96.6Very high91Very high1 Ų135.5 Ų35.51%0.00619%0.186CC..G310 helixtrans-57.9-28.4-177.1-25.735.3000114L89 H90 I93 N132 I133 Y176 V203 E206L89-P130 HydrophobicContact CB-CB 4.14Å; L89-P130 WeakPolarHBondContact CB-O 3.46Å; L89-P130 HydrophobicContact CD2-CB 4.35Å; L89-P130 HydrophobicContact CG-CB 4.1Å; L89-P130 PolarHBondContact N-O 2.9Å; H90-P130 HydrophobicContact CB-CB 3.83Å; H90-P130 PolarHBondContact N-O 3.23Å; I93-P130 HydrophobicContact CD1-CB 4.08Å; I93-P130 HydrophobicContact CD1-CG 4.1Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 3.33Å; P130-I133 PolarHBondContact O-N 2.87Å; P130-Y176 VanDerWaalsContact CD-OH 3.29Å; P130-Y176 WeakPolarHBondContact CD-OH 3.25Å; P130-Y176 HydrophobicContact CG-CE1 3.91Å; P130-V203 HydrophobicContact CG-CG1 4.44Å; P130-V203 HydrophobicContact CG-CG2 4.2Å; P130-E206 WeakPolarHBondContact CG-OE2 3.37Å
131A93.6Very high89.6Confident43 Ų4339 Ų3936%0.35521%0.205SC..G310 helixtrans-70.3-23.8177.400000113.2H90 K129H90-A131 HydrophobicContact CB-CB 4.14Å; K129-A131 HydrophobicContact CG-CB 4.2Å; K129-A131 PolarHBondContact O-N 3.43Å
132N95.5Very high88.3Confident12 Ų1244 Ų446%0.06423%0.232CC..G310 helixtrans-99.910.6179-69.9-5.8000112.1D127 K129 P130 A154 D155D127-N132 PolarHBondContact O-ND2 3.13Å; D127-N132 PolarHBondContact OD2-ND2 2.9Å; K129-N132 HydrophobicContact CG-CB 4.2Å; K129-N132 PolarHBondContact O-N 2.88Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 3.33Å; N132-A154 WeakPolarHBondContact CB-O 3.5Å; N132-A154 PolarHBondContact O-N 3.22Å; N132-D155 HydrophobicContact CB-CB 4.35Å
133I97.6Very high87.2Confident1 Ų145.2 Ų45.21%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-115.3106.9174.7-62.4162000106.5S88 L89 L111 K129 P130 V151 V203S88-I133 CarbonylContact C-O 3.57Å; S88-I133 WeakPolarHBondContact CA-O 3.11Å; L89-I133 HydrophobicContact CB-CB 3.99Å; L89-I133 HydrophobicContact CB-CG2 4.04Å; L89-I133 WeakPolarHBondContact CB-O 3.12Å; L89-I133 HydrophobicContact CD2-CB 4.13Å; L89-I133 HydrophobicContact CD2-CD1 3.92Å; L89-I133 HydrophobicContact CD2-CG2 3.94Å; L89-I133 PolarHBondContact N-O 2.73Å; L111-I133 HydrophobicContact CD1-CD1 4.12Å; L111-I133 HydrophobicContact CD2-CD1 3.73Å; L111-I133 HydrophobicContact CD2-CG1 3.95Å; L111-I133 HydrophobicContact CD2-CG2 4.35Å; L111-I133 HydrophobicContact CG-CD1 4.47Å; K129-I133 PolarHBondContact O-N 2.9Å; P130-I133 PolarHBondContact O-N 2.87Å; I133-V151 HydrophobicContact CG2-CG1 3.5Å; I133-V151 VanDerWaalsContact CG2-CG1 3.5Å; I133-V203 HydrophobicContact CD1-CB 4.4Å; I133-V203 HydrophobicContact CD1-CG1 3.65Å; I133-V203 HydrophobicContact CD1-CG2 4.07Å
134L97.7Very high86.4Confident42 Ų4255.5 Ų55.522%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-94152.1-176.9-57.4-172000111.3V66 C85 S87 K152 A154V66-L134 HydrophobicContact CG2-CB 4.43Å; V66-L134 HydrophobicContact CG2-CD1 3.89Å; V66-L134 HydrophobicContact CG2-CG 4.37Å; C85-L134 HydrophobicContact CB-CB 3.64Å; C85-L134 HydrophobicContact CB-CD1 3.99Å; C85-L134 HydrophobicContact CB-CG 4.4Å; S87-L134 WeakPolarHBondContact O-CA 3.46Å; L134-K152 PolarHBondContact N-O 3.06Å; L134-K152 PolarHBondContact O-N 2.95Å; L134-A154 HydrophobicContact CD1-CB 3.83Å; L134-A154 HydrophobicContact CG-CB 3.74Å
135L97.6Very high85.7Confident0 Ų060 Ų600%031%0.309CS..EExtended strand (participates in β ladder)trans-122.2138.8-173.7-55.3179.1000110C85 D86 S87 L89 M92 Y137 I148 H150 V151C85-L135 WeakPolarHBondContact CB-O 3.46Å; D86-L135 PolarHBondContact N-O 3.33Å; S87-L135 PolarHBondContact N-O 2.88Å; S87-L135 PolarHBondContact O-N 2.84Å; L89-L135 HydrophobicContact CB-CD1 4.48Å; L89-L135 HydrophobicContact CD1-CD1 4.47Å; M92-L135 HydrophobicContact CB-CD1 4.01Å; M92-L135 HydrophobicContact CG-CD1 4.45Å; M92-L135 HydrophobicContact SD-CD1 3.48Å; M92-L135 WeakPolarHBondContact SD-CD1 3.11Å; L135-Y137 HydrophobicContact CB-CE1 4.22Å; L135-Y137 HydrophobicContact CD1-CE1 4.15Å; L135-I148 HydrophobicContact CD1-CD1 4.08Å; L135-I148 HydrophobicContact CD1-CG1 4.22Å; L135-I148 HydrophobicContact CD2-CD1 3.92Å; L135-I148 HydrophobicContact CD2-CG1 4.27Å; L135-I148 HydrophobicContact CD2-CG2 4.18Å; L135-H150 WeakPolarHBondContact CA-O 3.42Å; L135-V151 HydrophobicContact CD2-CG1 4.49Å; L135-V151 HydrophobicContact CD2-CG2 3.88Å
136K96Very high85.6Confident54 Ų5464.4 Ų64.424%0.23533%0.328CS..EExtended strand (participates in β ladder)trans-109.6134.1158-68.4-170.5161-1770109.4E83 L84 C85 D86 E149 H150E83-K136 WeakPolarHBondContact OE1-CE 3.3Å; E83-K136 IonicContact OE1-NZ 2.99Å; E83-K136 PolarHBondContact OE1-NZ 2.77Å; L84-K136 WeakPolarHBondContact O-CE 3.39Å; C85-K136 HydrophobicContact CB-CG 4.46Å; D86-K136 VanDerWaalsContact OD2-CA 3.24Å; D86-K136 WeakPolarHBondContact OD2-CA 3.19Å; K136-E149 PolarHBondContact O-N 3.22Å; K136-H150 HydrophobicContact CB-CB 4.19Å; K136-H150 PolarHBondContact N-O 2.88Å; K136-H150 PolarHBondContact O-N 2.67Å; K136-H150 VanDerWaalsContact O-N 3.16Å
137Y94.2Very high85.8Confident26 Ų2665.2 Ų65.210%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-95.9145-179.9-58.6-58.8000110.7D86 S87 M92 L135 T139 K146 T147 I148D86-Y137 HydrophobicContact CB-CD2 3.44Å; D86-Y137 VanDerWaalsContact CB-CD2 3.44Å; D86-Y137 HydrophobicContact CB-CE2 3.72Å; D86-Y137 HydrophobicContact CB-CG 4.43Å; D86-Y137 PolarHBondContact OD2-N 3.05Å; S87-Y137 WeakPolarHBondContact CB-OH 2.92Å; S87-Y137 PolarHBondContact OG-OH 3.16Å; M92-Y137 HydrophobicContact CE-CE1 4.49Å; M92-Y137 HydrophobicContact SD-CE1 4.16Å; L135-Y137 HydrophobicContact CB-CE1 4.22Å; L135-Y137 HydrophobicContact CD1-CE1 4.15Å; Y137-T139 PolarHBondContact O-N 2.92Å; Y137-K146 HydrophobicContact CD1-CB 3.78Å; Y137-K146 HydrophobicContact CD2-CD 4.04Å; Y137-K146 HydrophobicContact CE1-CB 3.84Å; Y137-K146 HydrophobicContact CE1-CD 4.22Å; Y137-K146 HydrophobicContact CE2-CD 3.72Å; Y137-K146 HydrophobicContact CG-CB 4.18Å; Y137-K146 HydrophobicContact CG-CD 4.42Å; Y137-T147 VanDerWaalsContact CA-O 3.32Å; Y137-T147 WeakPolarHBondContact CA-O 3.45Å; Y137-I148 HydrophobicContact CD1-CG1 4.5Å; Y137-I148 HydrophobicContact CE1-CG1 4.33Å
138R90.4Very high86.1Confident135 Ų13564.9 Ų64.951%0.50933%0.333SS..  trans-65.4132.4169-172.4179.6-68.9155.5-2.2108.4E140 T147 E149R138-E140 HydrophobicContact CB-CG 4.35Å; R138-E140 WeakPolarHBondContact CD-OE1 3.23Å; R138-E140 HydrophobicContact CG-CG 4.01Å; R138-E140 IonicContact NH1-OE1 2.75Å; R138-E140 PolarHBondContact O-N 3.42Å; R138-T147 PolarHBondContact N-O 3.04Å; R138-E149 HydrophobicContact CB-CB 4.25Å
139T78.7Confident86.1Confident128 Ų12869.4 Ų69.479%0.78535%0.354SS*.  trans-71.696.7169-52.40000108.3Y137Y137-T139 PolarHBondContact O-N 2.92Å
140E70.7Confident86.2Confident73 Ų7371.1 Ų71.134%0.34136%0.362SS..  trans-103.8129.1171.4-70.5-179.2-176.700108.6R138 D142 S143R138-E140 HydrophobicContact CB-CG 4.35Å; R138-E140 WeakPolarHBondContact CD-OE1 3.23Å; R138-E140 HydrophobicContact CG-CG 4.01Å; R138-E140 IonicContact NH1-OE1 2.75Å; R138-E140 PolarHBondContact O-N 3.42Å; E140-D142 PolarHBondContact O-N 2.69Å; E140-D142 VanDerWaalsContact O-N 3.1Å; E140-S143 WeakPolarHBondContact CB-OG 3.49Å; E140-S143 WeakPolarHBondContact OE2-CB 3.43Å; E140-S143 PolarHBondContact OE2-OG 2.72Å
141N58.8Low86.2Confident158 Ų15871.1 Ų71.185%0.84536%0.362SS*.SBendtrans-71-3.9-169.9-71.4-23.7000114.5
142D62.9Low86.5Confident163 Ų16369.7 Ų69.787%0.87235%0.348SS*.SBendtrans-160.813-170.1-131.5-9.3000116.4E140E140-D142 PolarHBondContact O-N 2.69Å; E140-D142 VanDerWaalsContact O-N 3.1Å
143S62.9Low86.5Confident49 Ų4969.1 Ų69.134%0.34335%0.345SS..  trans-97125.9-178.261.60000112.1E140 T145E140-S143 WeakPolarHBondContact CB-OG 3.49Å; E140-S143 WeakPolarHBondContact OE2-CB 3.43Å; E140-S143 PolarHBondContact OE2-OG 2.72Å; S143-T145 PolarHBondContact O-N 2.89Å; S143-T145 PolarHBondContact OG-O 2.78Å
144K71.5Confident86.3Confident217 Ų21769.5 Ų69.594%0.94335%0.348SS*.SBendtrans-64.3-16169.6-73.9-176.8179.31770112.5
145T76.6Confident85.8Confident95 Ų9569 Ų6958%0.58335%0.346SS*.SBendtrans-104124-175.950.30000109.8S143 T147S143-T145 PolarHBondContact O-N 2.89Å; S143-T145 PolarHBondContact OG-O 2.78Å; T145-T147 PolarHBondContact O-N 3.18Å
146K87.9Confident84.9Confident93 Ų9369.8 Ų69.840%0.40435%0.349SS..PPolyproline II helixtrans-77.8121.2176.5-66.1178.8178.6176.80109.7N103 Y137N103-K146 PolarHBondContact ND2-O 3.17Å; Y137-K146 HydrophobicContact CD1-CB 3.78Å; Y137-K146 HydrophobicContact CD2-CD 4.04Å; Y137-K146 HydrophobicContact CE1-CB 3.84Å; Y137-K146 HydrophobicContact CE1-CD 4.22Å; Y137-K146 HydrophobicContact CE2-CD 3.72Å; Y137-K146 HydrophobicContact CG-CB 4.18Å; Y137-K146 HydrophobicContact CG-CD 4.42Å
147T92.7Very high83.8Confident30 Ų3068 Ų6818%0.18435%0.346CS..PPolyproline II helixtrans-98.7128.1175.6-53.20000109.8N103 Y137 R138 T145 E149N103-T147 WeakPolarHBondContact OD1-CA 3.44Å; Y137-T147 VanDerWaalsContact CA-O 3.32Å; Y137-T147 WeakPolarHBondContact CA-O 3.45Å; R138-T147 PolarHBondContact N-O 3.04Å; T145-T147 PolarHBondContact O-N 3.18Å; T147-E149 PolarHBondContact O-N 2.91Å
148I95.9Very high82.5Confident3 Ų366.9 Ų66.92%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-72.4122178.3-62.5169.9000109.7M92 L99 N103 S106 V107 L135 Y137 V151M92-I148 HydrophobicContact CE-CD1 4.21Å; M92-I148 HydrophobicContact CE-CG1 4.16Å; M92-I148 HydrophobicContact SD-CD1 3.79Å; M92-I148 HydrophobicContact SD-CG1 4Å; L99-I148 HydrophobicContact CD2-CD1 4.36Å; N103-I148 HydrophobicContact CB-CD1 3.79Å; N103-I148 HydrophobicContact CB-CG1 4.28Å; N103-I148 WeakPolarHBondContact OD1-CG1 3.36Å; N103-I148 PolarHBondContact OD1-N 2.8Å; S106-I148 PolarHBondContact OG-O 2.61Å; V107-I148 HydrophobicContact CG2-CD1 3.82Å; L135-I148 HydrophobicContact CD1-CD1 4.08Å; L135-I148 HydrophobicContact CD1-CG1 4.22Å; L135-I148 HydrophobicContact CD2-CD1 3.92Å; L135-I148 HydrophobicContact CD2-CG1 4.27Å; L135-I148 HydrophobicContact CD2-CG2 4.18Å; Y137-I148 HydrophobicContact CD1-CG1 4.5Å; Y137-I148 HydrophobicContact CE1-CG1 4.33Å; I148-V151 HydrophobicContact CG2-CG2 3.45Å; I148-V151 VanDerWaalsContact CG2-CG2 3.45Å
149E95.4Very high81.4Confident96 Ų9660.6 Ų60.645%0.44932%0.319SS..EExtended strand (participates in β ladder)trans-90.6-45.8170.9-175.2178.5-153.400111.5K136 R138 T147K136-E149 PolarHBondContact O-N 3.22Å; R138-E149 HydrophobicContact CB-CB 4.25Å; T147-E149 PolarHBondContact O-N 2.91Å
150H96.2Very high81.2Confident74 Ų7456.7 Ų56.734%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-134.9142178.1-62.5-66.1000112.3L135 K136L135-H150 WeakPolarHBondContact CA-O 3.42Å; K136-H150 HydrophobicContact CB-CB 4.19Å; K136-H150 PolarHBondContact N-O 2.88Å; K136-H150 PolarHBondContact O-N 2.67Å; K136-H150 VanDerWaalsContact O-N 3.16Å
151V98.3Very high81.1Confident2 Ų255.5 Ų55.51%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-114.4128.1172.2177.80000108.4N64 S106 V107 I133 L135 I148N64-V151 VanDerWaalsContact CA-O 3.23Å; N64-V151 WeakPolarHBondContact CA-O 3.2Å; N64-V151 WeakPolarHBondContact CB-O 3.24Å; N64-V151 PolarHBondContact ND2-O 2.94Å; S106-V151 WeakPolarHBondContact O-CG2 3.48Å; V107-V151 HydrophobicContact CG2-CG2 4.12Å; I133-V151 HydrophobicContact CG2-CG1 3.5Å; I133-V151 VanDerWaalsContact CG2-CG1 3.5Å; L135-V151 HydrophobicContact CD2-CG1 4.49Å; L135-V151 HydrophobicContact CD2-CG2 3.88Å; I148-V151 HydrophobicContact CG2-CG2 3.45Å; I148-V151 VanDerWaalsContact CG2-CG2 3.45Å
152K97.9Very high81.4Confident12 Ų1250.2 Ų50.25%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-131.7122.7-170.7-69171.7176.1-80.20111.4P63 N64 V66 E83 L134P63-K152 WeakPolarHBondContact O-CE 3.44Å; P63-K152 WeakPolarHBondContact O-CG 3.31Å; P63-K152 PolarHBondContact O-NZ 3.43Å; N64-K152 WeakPolarHBondContact O-CA 3.11Å; V66-K152 HydrophobicContact CG2-CB 3.73Å; E83-K152 VanDerWaalsContact CD-CE 3.4Å; E83-K152 VanDerWaalsContact CD-NZ 3.26Å; E83-K152 WeakPolarHBondContact OE1-CE 3.2Å; E83-K152 IonicContact OE1-NZ 3.11Å; E83-K152 PolarHBondContact OE1-NZ 3.26Å; E83-K152 WeakPolarHBondContact OE2-CD 3.45Å; E83-K152 WeakPolarHBondContact OE2-CE 3.29Å; E83-K152 IonicContact OE2-NZ 3.78Å; E83-K152 PolarHBondContact OE2-NZ 3.48Å; L134-K152 PolarHBondContact N-O 3.06Å; L134-K152 PolarHBondContact O-N 2.95Å
153I97.3Very high81.1Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-73.1132.2173.1-61.1172.5000109N64 V66 L111 L118 H125 L128 F156N64-I153 PolarHBondContact O-N 2.73Å; V66-I153 PolarHBondContact N-O 2.95Å; L111-I153 HydrophobicContact CD2-CD1 4.27Å; L111-I153 HydrophobicContact CD2-CG1 4Å; L118-I153 HydrophobicContact CD1-CD1 4.1Å; L118-I153 HydrophobicContact CD1-CG2 3.97Å; H125-I153 WeakPolarHBondContact CD2-CG2 3.46Å; L128-I153 HydrophobicContact CD2-CG2 3.73Å; I153-F156 HydrophobicContact CG2-CE1 4.06Å; I153-F156 HydrophobicContact CG2-CZ 4.11Å
154A93.2Very high80.8Confident9 Ų950.4 Ų50.47%0.07426%0.263CS..  trans-135.8171-173.300000112V66 H125 N132 L134V66-A154 HydrophobicContact CB-CB 4.24Å; V66-A154 HydrophobicContact CG2-CB 3.51Å; H125-A154 PolarHBondContact CE1-O 3.08Å; H125-A154 PolarHBondContact NE2-O 3.41Å; N132-A154 WeakPolarHBondContact CB-O 3.5Å; N132-A154 PolarHBondContact O-N 3.22Å; L134-A154 HydrophobicContact CD1-CB 3.83Å; L134-A154 HydrophobicContact CG-CB 3.74Å
155D85.7Confident80Confident32 Ų3247.9 Ų47.917%0.17125%0.252CS..  trans6274.3177.3-158.2-13.4000115.7K42 H125 N132 G157K42-D155 IonicContact NZ-OD1 2.63Å; K42-D155 PolarHBondContact NZ-OD1 3.5Å; K42-D155 IonicContact NZ-OD2 2.65Å; K42-D155 PolarHBondContact NZ-OD2 2.85Å; H125-D155 PolarHBondContact CE1-O 3.07Å; N132-D155 HydrophobicContact CB-CB 4.35Å; D155-G157 PolarHBondContact O-N 3.4Å; D155-G157 PolarHBondContact OD1-N 3.27Å
156F80.4Confident79.1Confident16 Ų1644 Ų447%0.0723%0.227CC..G310 helixtrans-83.616.7176.6-56.2-72.4000114.2L54 I57 I65 L118 H125 I153 C158 S159L54-F156 HydrophobicContact CD2-CB 4.44Å; I57-F156 HydrophobicContact CD1-CB 3.77Å; I57-F156 HydrophobicContact CD1-CD1 3.57Å; I57-F156 HydrophobicContact CD1-CD2 4Å; I57-F156 HydrophobicContact CD1-CE1 4.16Å; I57-F156 HydrophobicContact CD1-CG 3.49Å; I57-F156 VanDerWaalsContact CD1-CG 3.49Å; I57-F156 HydrophobicContact CG2-CD2 4.1Å; I57-F156 HydrophobicContact CG2-CE2 3.82Å; I57-F156 HydrophobicContact CG2-CZ 4.12Å; I65-F156 HydrophobicContact CG2-CE2 3.92Å; I65-F156 HydrophobicContact CG2-CZ 3.63Å; L118-F156 HydrophobicContact CD1-CE1 3.87Å; L118-F156 HydrophobicContact CD2-CE1 3.76Å; L118-F156 HydrophobicContact CD2-CZ 4.28Å; L118-F156 HydrophobicContact CG-CE1 4.48Å; H125-F156 AromaticContact CD2-CD1 3.86Å; H125-F156 AromaticContact CD2-CE1 3.68Å; H125-F156 AromaticContact NE2-CE1 3.98Å; I153-F156 HydrophobicContact CG2-CE1 4.06Å; I153-F156 HydrophobicContact CG2-CZ 4.11Å; F156-C158 PolarHBondContact O-N 2.99Å; F156-S159 WeakPolarHBondContact O-CB 3.5Å; F156-S159 PolarHBondContact O-N 3.07Å; F156-S159 PolarHBondContact O-OG 2.97Å
157G71.5Confident77.4Confident16 Ų1644.3 Ų44.317%0.16523%0.234CC..G310 helixtrans-60.6-26.7-179.400000113.4D155D155-G157 PolarHBondContact O-N 3.4Å; D155-G157 PolarHBondContact OD1-N 3.27Å
158C67.4Low75.4Confident4 Ų446.8 Ų46.83%0.02725%0.249CC..G310 helixtrans-93.5-6.4173-64.80000113.8F22 H125 R126 D127 F156 I171F22-C158 WeakPolarHBondContact CE2-SG 3.28Å; F22-C158 WeakPolarHBondContact CZ-SG 3.42Å; H125-C158 CarbonylContact O-C 3.25Å; H125-C158 WeakPolarHBondContact O-CB 3.28Å; R126-C158 HydrophobicContact CB-CB 4.21Å; R126-C158 PolarHBondContact NE-O 2.8Å; R126-C158 PolarHBondContact NH2-O 2.89Å; D127-C158 HydrophobicContact CB-CB 4.1Å; F156-C158 PolarHBondContact O-N 2.99Å; C158-I171 HydrophobicContact CB-CG2 3.79Å; C158-I171 WeakPolarHBondContact SG-CG2 3.34Å
159S67.9Low73.5Confident3 Ų351.6 Ų51.62%0.02127%0.271CS..  trans-68153-167.869.30000113.4I124 F156I124-S159 CarbonylContact O-C 3.45Å; I124-S159 WeakPolarHBondContact O-CA 3.48Å; F156-S159 WeakPolarHBondContact O-CB 3.5Å; F156-S159 PolarHBondContact O-N 3.07Å; F156-S159 PolarHBondContact O-OG 2.97Å
160R74.4Confident71.8Confident46 Ų4652.6 Ų52.617%0.17428%0.279CS..EExtended strand (participates in β ladder)trans-144.5150.5178.6-64.2-66.1-179.9-95.64.6110.6K50 I124 R126 L166K50-R160 VanDerWaalsContact CE-CD 3.45Å; K50-R160 VanDerWaalsContact NZ-NE 3.19Å; I124-R160 PolarHBondContact N-O 2.73Å; I124-R160 PolarHBondContact O-N 3.46Å; R126-R160 VanDerWaalsContact NE-CG 3.28Å; R126-R160 VanDerWaalsContact NH2-NE 3.17Å; R160-L166 HydrophobicContact CB-CD2 3.91Å; R160-L166 HydrophobicContact CG-CD2 4.07Å
161L68.6Low70.1Confident48 Ų4850.6 Ų50.625%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-65.5137.9162.3-69.4170.9000110.4E53 G122 I123 D163 T164E53-L161 HydrophobicContact CG-CG 4.06Å; E53-L161 PolarHBondContact OE1-N 3.13Å; G122-L161 CarbonylContact O-C 3.58Å; G122-L161 VanDerWaalsContact O-CA 3.31Å; G122-L161 WeakPolarHBondContact O-CA 3.17Å; I123-L161 HydrophobicContact CD1-CD2 3.87Å; I123-L161 HydrophobicContact CD1-CG 4.49Å; L161-D163 PolarHBondContact O-N 2.84Å; L161-T164 HydrophobicContact CB-CG2 4.11Å; L161-T164 WeakPolarHBondContact O-CB 3.31Å; L161-T164 PolarHBondContact O-N 3.37Å; L161-T164 PolarHBondContact O-OG1 2.89Å
162A64.3Low68.3Low47 Ų4752 Ų5239%0.38829%0.285SS..THydrogen-bonded Turntrans-61.5-27.8-176.200000113.3G122 I124 T164G122-A162 WeakPolarHBondContact O-CB 3.25Å; G122-A162 PolarHBondContact O-N 2.85Å; I124-A162 HydrophobicContact CD1-CB 3.92Å; I124-A162 HydrophobicContact CG1-CB 4.03Å; A162-T164 PolarHBondContact O-N 2.87Å
163D56.6Low67.3Low166 Ų16653.4 Ų53.489%0.88830%0.295SS*.THydrogen-bonded Turntrans-80.3-4.8178.5-64.6-21.7000113L161L161-D163 PolarHBondContact O-N 2.84Å
164T56.7Low66.7Low49 Ų4957.2 Ų57.230%0.30132%0.319SS..SBendtrans-82.5129.1173640000109.5L161 A162 L166L161-T164 HydrophobicContact CB-CG2 4.11Å; L161-T164 WeakPolarHBondContact O-CB 3.31Å; L161-T164 PolarHBondContact O-N 3.37Å; L161-T164 PolarHBondContact O-OG1 2.89Å; A162-T164 PolarHBondContact O-N 2.87Å; T164-L166 PolarHBondContact O-N 2.9Å
165K54.6Low66.5Low164 Ų16459.5 Ų59.571%0.71333%0.33SS*.  trans-53.5113173-72.1-170.4177-172.10108.8N167K165-N167 PolarHBondContact O-N 2.92Å
166L58.6Low66.8Low13 Ų1358.9 Ų58.97%0.06833%0.326CS..  trans-74.1103.8178.7-63.1179.3000107.5I124 R160 T164 Y191I124-L166 HydrophobicContact CD1-CD1 3.74Å; R160-L166 HydrophobicContact CB-CD2 3.91Å; R160-L166 HydrophobicContact CG-CD2 4.07Å; T164-L166 PolarHBondContact O-N 2.9Å; L166-Y191 HydrophobicContact CB-CD1 4.49Å; L166-Y191 HydrophobicContact CB-CD2 4.14Å; L166-Y191 HydrophobicContact CB-CE1 4.05Å; L166-Y191 HydrophobicContact CB-CE2 3.67Å; L166-Y191 HydrophobicContact CD1-CD2 3.31Å; L166-Y191 HydrophobicContact CD1-CE2 3.27Å; L166-Y191 HydrophobicContact CD1-CG 4.2Å; L166-Y191 WeakPolarHBondContact CD1-O 3.05Å; L166-Y191 HydrophobicContact CG-CD2 4.33Å; L166-Y191 HydrophobicContact CG-CE2 3.98Å
167N52.1Low67.2Low101 Ų10158.5 Ų58.554%0.5432%0.324SS..  trans-57.8153.8175.4-68.5-19.5000110.5K165 E169 Y191K165-N167 PolarHBondContact O-N 2.92Å; N167-E169 HydrophobicContact CB-CG 4.31Å; N167-E169 PolarHBondContact O-N 3.21Å; N167-Y191 PolarHBondContact O-OH 2.93Å
168T51.4Low68.1Low81 Ų8157.8 Ų57.850%0.49732%0.316SS..SBendtrans-66.918.7177.856.80000114.1L170T168-L170 PolarHBondContact O-N 2.87Å
169E56Low69.1Low105 Ų10557.6 Ų57.649%0.49132%0.315SS..  trans-68.8123.4178.1-70.8175.5-177.300109.2N167 I171N167-E169 HydrophobicContact CB-CG 4.31Å; N167-E169 PolarHBondContact O-N 3.21Å; E169-I171 VanDerWaalsContact C-N 3.29Å; E169-I171 HydrophobicContact CB-CD1 3.87Å; E169-I171 HydrophobicContact CB-CG1 3.92Å; E169-I171 PolarHBondContact O-N 2.8Å
170L59.3Low70Confident116 Ų11659 Ų5961%0.60732%0.321SS*.  trans-68.890173.3-171.574.5000108.6T168 M177 I181 V185T168-L170 PolarHBondContact O-N 2.87Å; L170-M177 HydrophobicContact CD1-CE 3.48Å; L170-M177 VanDerWaalsContact CD1-CE 3.48Å; L170-M177 HydrophobicContact CD1-SD 3.46Å; L170-M177 WeakPolarHBondContact CD1-SD 3.44Å; L170-M177 HydrophobicContact CG-CE 3.92Å; L170-I181 HydrophobicContact CD1-CG2 4.45Å; L170-V185 HydrophobicContact CD1-CG2 4.48Å
171I59.1Low70.3Confident33 Ų3357.1 Ų57.117%0.16932%0.315CS..  trans-112.4136.3178.5-63.3172.5000108.3C158 E169 M177C158-I171 HydrophobicContact CB-CG2 3.79Å; C158-I171 WeakPolarHBondContact SG-CG2 3.34Å; E169-I171 VanDerWaalsContact C-N 3.29Å; E169-I171 HydrophobicContact CB-CD1 3.87Å; E169-I171 HydrophobicContact CB-CG1 3.92Å; E169-I171 PolarHBondContact O-N 2.8Å; I171-M177 VanDerWaalsContact O-CE 3.31Å; I171-M177 WeakPolarHBondContact O-CE 3.39Å
172G61.4Low70.5Confident31 Ų3155.2 Ų55.232%0.3231%0.307SS..SBendtrans120.3178.417700000112.9D127D127-G172 WeakPolarHBondContact OD1-CA 3.22Å
173T77.2Confident71Confident42 Ų4253.2 Ų53.226%0.25829%0.29SS..  trans-94.8118.4176.3-540000108.9D127 K129 L175 Y176 M177D127-T173 PolarHBondContact OD1-N 3.38Å; D127-T173 PolarHBondContact OD1-OG1 3.05Å; K129-T173 HydrophobicContact CD-CG2 4.47Å; K129-T173 WeakPolarHBondContact CD-OG1 3.42Å; K129-T173 PolarHBondContact NZ-OG1 2.86Å; T173-L175 PolarHBondContact O-N 2.63Å; T173-Y176 HydrophobicContact CG2-CD2 3.92Å; T173-Y176 HydrophobicContact CG2-CE2 4.12Å; T173-Y176 PolarHBondContact O-N 2.93Å; T173-M177 PolarHBondContact O-N 3.24Å
174P84.2Confident71.5Confident79 Ų7945.5 Ų45.551%0.51325%0.249SC..G310 helixtrans-50.2-37.1-166.3-32.135.5000115.7Y176 M177P174-Y176 PolarHBondContact O-N 2.71Å; P174-M177 WeakPolarHBondContact O-CB 3.36Å; P174-M177 PolarHBondContact O-N 3.22Å
175L89.8Confident71.8Confident57 Ų5747.6 Ų47.630%0.29826%0.261SS..G310 helixtrans-64-23.9-179-63.9176.8000114.6T173 L219T173-L175 PolarHBondContact O-N 2.63Å; L175-L219 HydrophobicContact CD2-CD1 3.73Å
176Y92.4Very high71.9Confident20 Ų2045.3 Ų45.38%0.07826%0.257CS..G310 helixtrans-106.9-2.7-179.3-54.4-90.7000112.1K129 P130 T173 P174 S199 V202 V203 E206 V212K129-Y176 HydrophobicContact CB-CD1 4.18Å; K129-Y176 HydrophobicContact CB-CD2 3.78Å; K129-Y176 HydrophobicContact CB-CE1 4.34Å; K129-Y176 HydrophobicContact CB-CE2 3.95Å; K129-Y176 HydrophobicContact CB-CG 3.9Å; P130-Y176 VanDerWaalsContact CD-OH 3.29Å; P130-Y176 WeakPolarHBondContact CD-OH 3.25Å; P130-Y176 HydrophobicContact CG-CE1 3.91Å; T173-Y176 HydrophobicContact CG2-CD2 3.92Å; T173-Y176 HydrophobicContact CG2-CE2 4.12Å; T173-Y176 PolarHBondContact O-N 2.93Å; P174-Y176 PolarHBondContact O-N 2.71Å; Y176-S199 WeakPolarHBondContact O-CA 3.49Å; Y176-S199 WeakPolarHBondContact O-CB 3.44Å; Y176-S199 PolarHBondContact O-OG 3.36Å; Y176-V202 HydrophobicContact CD1-CB 4.03Å; Y176-V202 HydrophobicContact CD1-CG1 3.38Å; Y176-V202 HydrophobicContact CE1-CG1 3.75Å; Y176-V202 HydrophobicContact CG-CG1 4.19Å; Y176-V203 HydrophobicContact CD1-CG2 4.03Å; Y176-V203 HydrophobicContact CE1-CG2 4.17Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.49Å; Y176-E206 PolarHBondContact OH-OE2 2.76Å; Y176-V212 HydrophobicContact CE1-CG1 4.26Å
177M88.5Confident71.9Confident8 Ų848.4 Ų48.44%0.03928%0.276CS..SBendtrans-74.2136.1-174.8-170.7-179.2-76.500110.5L170 I171 T173 P174 I181 W198L170-M177 HydrophobicContact CD1-CE 3.48Å; L170-M177 VanDerWaalsContact CD1-CE 3.48Å; L170-M177 HydrophobicContact CD1-SD 3.46Å; L170-M177 WeakPolarHBondContact CD1-SD 3.44Å; L170-M177 HydrophobicContact CG-CE 3.92Å; I171-M177 VanDerWaalsContact O-CE 3.31Å; I171-M177 WeakPolarHBondContact O-CE 3.39Å; T173-M177 PolarHBondContact O-N 3.24Å; P174-M177 WeakPolarHBondContact O-CB 3.36Å; P174-M177 PolarHBondContact O-N 3.22Å; M177-I181 HydrophobicContact CE-CG2 4.27Å; M177-I181 HydrophobicContact CG-CB 3.69Å; M177-I181 HydrophobicContact CG-CD1 3.71Å; M177-I181 HydrophobicContact CG-CG1 4.23Å; M177-I181 HydrophobicContact CG-CG2 3.86Å; M177-I181 HydrophobicContact SD-CB 3.88Å; M177-I181 HydrophobicContact SD-CG2 3.51Å; M177-I181 VanDerWaalsContact SD-CG2 3.51Å; M177-W198 PolarHBondContact O-NE1 2.93Å
178A90.1Very high72.2Confident0 Ų052.4 Ų52.40%029%0.289CS..  trans-65.3139.7175.700000111.1E180 I181 I195 W198A178-E180 WeakPolarHBondContact CB-OE1 3.46Å; A178-E180 WeakPolarHBondContact CB-OE2 3.29Å; A178-E180 PolarHBondContact O-N 3.07Å; A178-E180 VanDerWaalsContact O-N 3.16Å; A178-I181 HydrophobicContact CB-CD1 4.35Å; A178-I181 HydrophobicContact CB-CG1 4.32Å; A178-I181 WeakPolarHBondContact O-CB 3.5Å; A178-I181 PolarHBondContact O-N 3.05Å; A178-I195 HydrophobicContact CB-CB 3.89Å; A178-I195 HydrophobicContact CB-CG2 3.93Å; A178-W198 VanDerWaalsContact CA-CD1 3.49Å; A178-W198 HydrophobicContact CB-CB 3.74Å; A178-W198 HydrophobicContact CB-CG 3.88Å
179P88.9Confident72.4Confident0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-59.4-30.1-175.1-32.139.6000114.9I181 G182 A183 W198 L222 F223 S226 L258P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 PolarHBondContact O-N 2.77Å; P179-G182 PolarHBondContact O-N 3.17Å; P179-A183 PolarHBondContact O-N 2.8Å; P179-W198 VanDerWaalsContact CD-CD2 3.44Å; P179-W198 HydrophobicContact CG-CD2 4.28Å; P179-W198 HydrophobicContact CG-CE3 4.27Å; P179-W198 HydrophobicContact CG-CH2 3.49Å; P179-W198 VanDerWaalsContact CG-CH2 3.49Å; P179-W198 HydrophobicContact CG-CZ2 3.47Å; P179-W198 VanDerWaalsContact CG-CZ2 3.47Å; P179-W198 HydrophobicContact CG-CZ3 3.91Å; P179-L222 HydrophobicContact CB-CB 4.02Å; P179-L222 HydrophobicContact CG-CB 3.88Å; P179-L222 HydrophobicContact CG-CD1 4.3Å; P179-F223 HydrophobicContact CB-CD1 4.05Å; P179-F223 HydrophobicContact CB-CE1 4.49Å; P179-S226 WeakPolarHBondContact CB-OG 3.39Å; P179-L258 HydrophobicContact CB-CD1 3.68Å; P179-L258 HydrophobicContact CG-CD1 3.59Å
180E86.6Confident72.6Confident32 Ų3251.8 Ų51.815%0.1529%0.288CS..Hα-helixtrans-68.2-24.1175.668.1-85.9-162.100113.6A178 A183 S184 I195 R263A178-E180 WeakPolarHBondContact CB-OE1 3.46Å; A178-E180 WeakPolarHBondContact CB-OE2 3.29Å; A178-E180 PolarHBondContact O-N 3.07Å; A178-E180 VanDerWaalsContact O-N 3.16Å; E180-A183 PolarHBondContact O-N 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.38Å; E180-S184 PolarHBondContact O-N 2.89Å; E180-I195 HydrophobicContact CG-CG2 4.35Å; E180-I195 WeakPolarHBondContact OE1-CG2 3.44Å; E180-R263 IonicContact OE1-CZ 3.33Å; E180-R263 IonicContact OE1-NH1 2.73Å; E180-R263 PolarHBondContact OE1-NH1 3.23Å; E180-R263 IonicContact OE1-NH2 3.6Å; E180-R263 PolarHBondContact OE1-NH2 3.4Å; E180-R263 IonicContact OE2-CZ 3.04Å; E180-R263 IonicContact OE2-NH1 3.04Å; E180-R263 PolarHBondContact OE2-NH1 3.23Å; E180-R263 IonicContact OE2-NH2 3.51Å; E180-R263 PolarHBondContact OE2-NH2 3.43Å
181I81Confident73.1Confident8 Ų847.3 Ų47.34%0.04126%0.263CS..Hα-helixtrans-67.7-46.7171.5-59.1177.1000108.8L170 M177 A178 P179 A183 S184 Y191 I195L170-I181 HydrophobicContact CD1-CG2 4.45Å; M177-I181 HydrophobicContact CE-CG2 4.27Å; M177-I181 HydrophobicContact CG-CB 3.69Å; M177-I181 HydrophobicContact CG-CD1 3.71Å; M177-I181 HydrophobicContact CG-CG1 4.23Å; M177-I181 HydrophobicContact CG-CG2 3.86Å; M177-I181 HydrophobicContact SD-CB 3.88Å; M177-I181 HydrophobicContact SD-CG2 3.51Å; M177-I181 VanDerWaalsContact SD-CG2 3.51Å; A178-I181 HydrophobicContact CB-CD1 4.35Å; A178-I181 HydrophobicContact CB-CG1 4.32Å; A178-I181 WeakPolarHBondContact O-CB 3.5Å; A178-I181 PolarHBondContact O-N 3.05Å; P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 PolarHBondContact O-N 2.77Å; I181-A183 VanDerWaalsContact C-N 3.3Å; I181-A183 PolarHBondContact O-N 3.38Å; I181-S184 WeakPolarHBondContact O-CB 3.42Å; I181-S184 PolarHBondContact O-N 3.24Å; I181-S184 VanDerWaalsContact O-N 3.11Å; I181-S184 PolarHBondContact O-OG 3.05Å; I181-Y191 HydrophobicContact CG1-CD1 4.44Å; I181-Y191 HydrophobicContact CG1-CD2 4.45Å; I181-Y191 HydrophobicContact CG1-CG 4.35Å; I181-I195 HydrophobicContact CD1-CB 3.83Å; I181-I195 HydrophobicContact CD1-CD1 3.75Å; I181-I195 HydrophobicContact CD1-CG1 4.38Å; I181-I195 HydrophobicContact CD1-CG2 3.81Å; I181-I195 HydrophobicContact CG1-CB 4.32Å; I181-I195 HydrophobicContact CG1-CG2 3.73Å
182G72.4Confident73.9Confident8 Ų849.6 Ų49.68%0.08228%0.276CS..Hα-helixtrans-60.1-40.7173.600000112.2P179 S184 V185P179-G182 PolarHBondContact O-N 3.17Å; G182-S184 VanDerWaalsContact C-N 3.32Å; G182-S184 PolarHBondContact O-N 3.47Å; G182-V185 WeakPolarHBondContact O-CB 3.43Å; G182-V185 PolarHBondContact O-N 2.89Å
183A73.6Confident74.8Confident4 Ų449.4 Ų49.43%0.03327%0.27CS..Hα-helixtrans-68.1-27.6174.900000113.5P179 E180 I181 V185 L186 T187 A227P179-A183 PolarHBondContact O-N 2.8Å; E180-A183 PolarHBondContact O-N 3.26Å; I181-A183 VanDerWaalsContact C-N 3.3Å; I181-A183 PolarHBondContact O-N 3.38Å; A183-V185 PolarHBondContact O-N 3.29Å; A183-L186 CarbonylContact O-C 3.52Å; A183-L186 WeakPolarHBondContact O-CA 3.32Å; A183-L186 WeakPolarHBondContact O-CB 3.24Å; A183-L186 PolarHBondContact O-N 2.86Å; A183-T187 PolarHBondContact O-N 3.19Å; A183-T187 PolarHBondContact O-OG1 3.24Å; A183-A227 HydrophobicContact CB-CB 3.79Å
184S67.6Low75.3Confident4 Ų448 Ų483%0.02826%0.26CS..Hα-helixtrans-63.9-29.5178.478.80000111.9E180 I181 G182 L186 T187 K188E180-S184 WeakPolarHBondContact O-CB 3.38Å; E180-S184 PolarHBondContact O-N 2.89Å; I181-S184 WeakPolarHBondContact O-CB 3.42Å; I181-S184 PolarHBondContact O-N 3.24Å; I181-S184 VanDerWaalsContact O-N 3.11Å; I181-S184 PolarHBondContact O-OG 3.05Å; G182-S184 VanDerWaalsContact C-N 3.32Å; G182-S184 PolarHBondContact O-N 3.47Å; S184-L186 PolarHBondContact O-N 3.22Å; S184-T187 PolarHBondContact O-N 3.16Å; S184-K188 WeakPolarHBondContact O-CA 3.49Å; S184-K188 PolarHBondContact O-N 3.24Å
185V63.1Low75.7Confident93 Ų9344.4 Ų44.456%0.56424%0.236SC*.Hα-helixtrans-58.7-32.8170.9-176.90000110.9L170 G182 A183L170-V185 HydrophobicContact CD1-CG2 4.48Å; G182-V185 WeakPolarHBondContact O-CB 3.43Å; G182-V185 PolarHBondContact O-N 2.89Å; A183-V185 PolarHBondContact O-N 3.29Å
186L57.8Low75.9Confident117 Ų11741.7 Ų41.761%0.61322%0.222SC*.Hα-helixtrans-91.2-28.6179.5-57.9177.5000113.4A183 S184 A227A183-L186 CarbonylContact O-C 3.52Å; A183-L186 WeakPolarHBondContact O-CA 3.32Å; A183-L186 WeakPolarHBondContact O-CB 3.24Å; A183-L186 PolarHBondContact O-N 2.86Å; S184-L186 PolarHBondContact O-N 3.22Å; L186-A227 HydrophobicContact CD1-CB 4.07Å
187T58.6Low76.1Confident78 Ų7840.7 Ų40.748%0.47922%0.218SC..Hα-helixtrans-122.6-2.7-164.6580000115.2A183 S184 G189 A227A183-T187 PolarHBondContact O-N 3.19Å; A183-T187 PolarHBondContact O-OG1 3.24Å; S184-T187 PolarHBondContact O-N 3.16Å; T187-G189 PolarHBondContact O-N 2.85Å; T187-A227 HydrophobicContact CG2-CB 4.3Å
188K57.7Low76.5Confident184 Ų18440.3 Ų40.380%0.822%0.216SC*.  trans50.636.8-174.3-62.3-174.9178.8-179.20113.5S184S184-K188 WeakPolarHBondContact O-CA 3.49Å; S184-K188 PolarHBondContact O-N 3.24Å
189G54.7Low76.8Confident30 Ų3040.7 Ų40.731%0.30922%0.219SC..  trans-78.7143.5177.100000112.7T187T187-G189 PolarHBondContact O-N 2.85Å
190E61.6Low77.2Confident143 Ų14340.7 Ų40.767%0.66822%0.219SC*.  trans-77.1148.1163.9-63.8179161.600109.1
191Y68.1Low77.8Confident23 Ų2339.2 Ų39.29%0.0921%0.212CC..  trans-122.3161.8174.851.3-90.3000109.7L166 N167 I181 I195L166-Y191 HydrophobicContact CB-CD1 4.49Å; L166-Y191 HydrophobicContact CB-CD2 4.14Å; L166-Y191 HydrophobicContact CB-CE1 4.05Å; L166-Y191 HydrophobicContact CB-CE2 3.67Å; L166-Y191 HydrophobicContact CD1-CD2 3.31Å; L166-Y191 HydrophobicContact CD1-CE2 3.27Å; L166-Y191 HydrophobicContact CD1-CG 4.2Å; L166-Y191 WeakPolarHBondContact CD1-O 3.05Å; L166-Y191 HydrophobicContact CG-CD2 4.33Å; L166-Y191 HydrophobicContact CG-CE2 3.98Å; N167-Y191 PolarHBondContact O-OH 2.93Å; I181-Y191 HydrophobicContact CG1-CD1 4.44Å; I181-Y191 HydrophobicContact CG1-CD2 4.45Å; I181-Y191 HydrophobicContact CG1-CG 4.35Å; Y191-I195 HydrophobicContact CD2-CD1 3.5Å; Y191-I195 HydrophobicContact CD2-CG1 4.2Å; Y191-I195 HydrophobicContact CD2-CG2 3.69Å; Y191-I195 HydrophobicContact CE2-CD1 3.5Å; Y191-I195 VanDerWaalsContact CE2-CD1 3.5Å; Y191-I195 HydrophobicContact CG-CG2 4Å
192D75.9Confident78.6Confident80 Ų8038.8 Ų38.843%0.42821%0.21SC..  trans-122.1-169.9-178.473.9-2.9000111.1K194 I195D192-K194 PolarHBondContact O-N 3.25Å; D192-K194 WeakPolarHBondContact OD1-CB 3.45Å; D192-K194 WeakPolarHBondContact OD1-CG 3.29Å; D192-K194 PolarHBondContact OD1-N 2.84Å; D192-I195 WeakPolarHBondContact O-CG1 3.29Å; D192-I195 PolarHBondContact O-N 3.17Å
193S81.5Confident79.8Confident27 Ų2738.4 Ų38.419%0.18921%0.206CC..THydrogen-bonded Turntrans-53.9-15.3176.762.70000115.3Y115 I195 D196Y115-S193 PolarHBondContact OH-O 2.87Å; S193-I195 PolarHBondContact O-N 3.25Å; S193-I195 VanDerWaalsContact O-N 3.17Å; S193-D196 PolarHBondContact O-N 3.21Å
194K88.1Confident81Confident13 Ų1338.2 Ų38.26%0.05720%0.204CC..Hα-helixtrans-65.4-16.5178.6-62.2-63.6-168.871.90113.4D192 D196 M197 W198 A260 R263 M264 K265D192-K194 PolarHBondContact O-N 3.25Å; D192-K194 WeakPolarHBondContact OD1-CB 3.45Å; D192-K194 WeakPolarHBondContact OD1-CG 3.29Å; D192-K194 PolarHBondContact OD1-N 2.84Å; K194-D196 VanDerWaalsContact C-N 3.29Å; K194-D196 PolarHBondContact O-N 3.35Å; K194-M197 HydrophobicContact CD-CG 4.22Å; K194-M197 WeakPolarHBondContact O-CB 3.27Å; K194-M197 PolarHBondContact O-N 3.23Å; K194-W198 PolarHBondContact O-N 3.24Å; K194-A260 PolarHBondContact NZ-O 3.35Å; K194-R263 WeakPolarHBondContact CE-O 3.34Å; K194-R263 PolarHBondContact NZ-O 3.42Å; K194-R263 WeakPolarHBondContact O-CD 3.49Å; K194-R263 PolarHBondContact O-NH1 2.86Å; K194-M264 WeakPolarHBondContact CD-O 3.36Å; K194-K265 VanDerWaalsContact CE-CG 3.41Å
195I91.8Very high82.4Confident3 Ų338.8 Ų38.82%0.01521%0.206CC..Hα-helixtrans-63.1-39.2174.763.9166.4000111.9I124 R126 A178 E180 I181 Y191 D192 S193 M197 W198 S199I124-I195 HydrophobicContact CG2-CD1 4.1Å; I124-I195 HydrophobicContact CG2-CG1 4.11Å; R126-I195 HydrophobicContact CB-CD1 4.25Å; R126-I195 HydrophobicContact CG-CD1 3.9Å; A178-I195 HydrophobicContact CB-CB 3.89Å; A178-I195 HydrophobicContact CB-CG2 3.93Å; E180-I195 HydrophobicContact CG-CG2 4.35Å; E180-I195 WeakPolarHBondContact OE1-CG2 3.44Å; I181-I195 HydrophobicContact CD1-CB 3.83Å; I181-I195 HydrophobicContact CD1-CD1 3.75Å; I181-I195 HydrophobicContact CD1-CG1 4.38Å; I181-I195 HydrophobicContact CD1-CG2 3.81Å; I181-I195 HydrophobicContact CG1-CB 4.32Å; I181-I195 HydrophobicContact CG1-CG2 3.73Å; Y191-I195 HydrophobicContact CD2-CD1 3.5Å; Y191-I195 HydrophobicContact CD2-CG1 4.2Å; Y191-I195 HydrophobicContact CD2-CG2 3.69Å; Y191-I195 HydrophobicContact CE2-CD1 3.5Å; Y191-I195 VanDerWaalsContact CE2-CD1 3.5Å; Y191-I195 HydrophobicContact CG-CG2 4Å; D192-I195 WeakPolarHBondContact O-CG1 3.29Å; D192-I195 PolarHBondContact O-N 3.17Å; S193-I195 PolarHBondContact O-N 3.25Å; S193-I195 VanDerWaalsContact O-N 3.17Å; I195-M197 VanDerWaalsContact C-N 3.31Å; I195-M197 PolarHBondContact O-N 3.3Å; I195-W198 WeakPolarHBondContact O-CB 3.16Å; I195-W198 PolarHBondContact O-N 2.93Å; I195-S199 PolarHBondContact O-N 2.78Å; I195-S199 VanDerWaalsContact O-N 3.15Å; I195-S199 PolarHBondContact O-OG 3.42Å
196D94.5Very high84Confident0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-72.4-31.5179.5-73.8-28.5000110.3Y115 I124 H125 R126 L128 S193 K194 W198 S199 I200Y115-D196 HydrophobicContact CD2-CB 4.44Å; Y115-D196 HydrophobicContact CE1-CB 4.14Å; Y115-D196 HydrophobicContact CE2-CB 3.47Å; Y115-D196 VanDerWaalsContact CE2-CB 3.47Å; Y115-D196 WeakPolarHBondContact CE2-OD2 3.28Å; Y115-D196 WeakPolarHBondContact OH-CB 3.45Å; Y115-D196 PolarHBondContact OH-OD2 3.07Å; I124-D196 VanDerWaalsContact CG2-OD2 3.24Å; I124-D196 WeakPolarHBondContact CG2-OD2 3.41Å; H125-D196 PolarHBondContact N-OD2 3.5Å; R126-D196 WeakPolarHBondContact CA-OD1 3.5Å; R126-D196 PolarHBondContact N-OD1 3.4Å; L128-D196 HydrophobicContact CD1-CB 3.79Å; S193-D196 PolarHBondContact O-N 3.21Å; K194-D196 VanDerWaalsContact C-N 3.29Å; K194-D196 PolarHBondContact O-N 3.35Å; D196-W198 VanDerWaalsContact C-N 3.3Å; D196-W198 PolarHBondContact O-N 2.89Å; D196-S199 WeakPolarHBondContact O-CB 3.49Å; D196-S199 PolarHBondContact O-N 3Å; D196-I200 VanDerWaalsContact O-CG1 3.28Å; D196-I200 WeakPolarHBondContact O-CG1 3.17Å; D196-I200 PolarHBondContact O-N 2.94Å
197M96.6Very high86Confident0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-61.7-40.1174.6-58.9-54.2-6500111.2Y115 K194 I195 I200 G201 L255 R263 M264 P266 F269Y115-M197 HydrophobicContact CD1-SD 3.64Å; Y115-M197 HydrophobicContact CE1-CG 4.45Å; Y115-M197 HydrophobicContact CE1-SD 3.44Å; Y115-M197 WeakPolarHBondContact CE1-SD 3.41Å; K194-M197 HydrophobicContact CD-CG 4.22Å; K194-M197 WeakPolarHBondContact O-CB 3.27Å; K194-M197 PolarHBondContact O-N 3.23Å; I195-M197 VanDerWaalsContact C-N 3.31Å; I195-M197 PolarHBondContact O-N 3.3Å; M197-I200 PolarHBondContact O-N 2.9Å; M197-I200 HydrophobicContact SD-CD1 4.37Å; M197-G201 PolarHBondContact O-N 3.49Å; M197-L255 HydrophobicContact CB-CD2 4.04Å; M197-L255 HydrophobicContact CE-CD2 3.28Å; M197-L255 WeakPolarHBondContact O-CD2 3.48Å; M197-R263 HydrophobicContact CB-CG 4.44Å; M197-M264 WeakPolarHBondContact CG-O 3.26Å; M197-P266 HydrophobicContact CG-CG 4.44Å; M197-P266 HydrophobicContact SD-CB 4.21Å; M197-P266 HydrophobicContact SD-CG 3.8Å; M197-F269 HydrophobicContact CE-CB 3.42Å; M197-F269 VanDerWaalsContact CE-CB 3.42Å; M197-F269 HydrophobicContact CE-CD1 3.88Å; M197-F269 HydrophobicContact CE-CG 3.86Å
198W96.1Very high87.8Confident0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-61.8-50171.1176.3-82.2000111.1M177 A178 P179 K194 I195 D196 I200 G201 V202 F214 L222 L256 L258M177-W198 PolarHBondContact O-NE1 2.93Å; A178-W198 VanDerWaalsContact CA-CD1 3.49Å; A178-W198 HydrophobicContact CB-CB 3.74Å; A178-W198 HydrophobicContact CB-CG 3.88Å; P179-W198 VanDerWaalsContact CD-CD2 3.44Å; P179-W198 HydrophobicContact CG-CD2 4.28Å; P179-W198 HydrophobicContact CG-CE3 4.27Å; P179-W198 HydrophobicContact CG-CH2 3.49Å; P179-W198 VanDerWaalsContact CG-CH2 3.49Å; P179-W198 HydrophobicContact CG-CZ2 3.47Å; P179-W198 VanDerWaalsContact CG-CZ2 3.47Å; P179-W198 HydrophobicContact CG-CZ3 3.91Å; K194-W198 PolarHBondContact O-N 3.24Å; I195-W198 WeakPolarHBondContact O-CB 3.16Å; I195-W198 PolarHBondContact O-N 2.93Å; D196-W198 VanDerWaalsContact C-N 3.3Å; D196-W198 PolarHBondContact O-N 2.89Å; W198-I200 VanDerWaalsContact C-N 3.28Å; W198-I200 PolarHBondContact O-N 3.31Å; W198-G201 WeakPolarHBondContact O-CA 3.08Å; W198-G201 PolarHBondContact O-N 2.9Å; W198-V202 PolarHBondContact O-N 3.48Å; W198-F214 HydrophobicContact CH2-CD2 4.32Å; W198-F214 AromaticContact CH2-CE2 3.69Å; W198-F214 HydrophobicContact CH2-CE2 3.69Å; W198-F214 HydrophobicContact CH2-CZ 4.24Å; W198-F214 AromaticContact CZ2-CD2 3.7Å; W198-F214 HydrophobicContact CZ2-CD2 3.7Å; W198-F214 AromaticContact CZ2-CE2 3.41Å; W198-F214 HydrophobicContact CZ2-CE2 3.41Å; W198-F214 VanDerWaalsContact CZ2-CE2 3.41Å; W198-F214 HydrophobicContact CZ2-CZ 4.37Å; W198-L222 HydrophobicContact CH2-CD1 3.89Å; W198-L222 HydrophobicContact CZ2-CD1 3.93Å; W198-L256 HydrophobicContact CD2-CD2 3.83Å; W198-L256 HydrophobicContact CE3-CD2 4.08Å; W198-L256 HydrophobicContact CG-CD2 4.29Å; W198-L256 HydrophobicContact CH2-CD2 4.37Å; W198-L256 HydrophobicContact CZ2-CD2 4.16Å; W198-L256 HydrophobicContact CZ3-CB 4.39Å; W198-L256 HydrophobicContact CZ3-CD2 4.34Å; W198-L256 WeakPolarHBondContact CZ3-O 3.49Å; W198-L258 HydrophobicContact CH2-CD1 4.31Å; W198-L258 HydrophobicContact CZ3-CD1 4.28Å
199S96.4Very high89.6Confident7 Ų719.3 Ų19.35%0.04911%0.107CC..Hα-helixtrans-56.1-42.6179.2-56.90000112L128 Y176 I195 D196 G201 V202 V203L128-S199 WeakPolarHBondContact O-CB 3.44Å; Y176-S199 WeakPolarHBondContact O-CA 3.49Å; Y176-S199 WeakPolarHBondContact O-CB 3.44Å; Y176-S199 PolarHBondContact O-OG 3.36Å; I195-S199 PolarHBondContact O-N 2.78Å; I195-S199 VanDerWaalsContact O-N 3.15Å; I195-S199 PolarHBondContact O-OG 3.42Å; D196-S199 WeakPolarHBondContact O-CB 3.49Å; D196-S199 PolarHBondContact O-N 3Å; S199-G201 PolarHBondContact O-N 3.16Å; S199-V202 WeakPolarHBondContact O-CB 3.43Å; S199-V202 PolarHBondContact O-N 2.81Å; S199-V203 WeakPolarHBondContact O-CG2 3.4Å; S199-V203 PolarHBondContact O-N 3.42Å
200I98.2Very high91.5Very high1 Ų118.9 Ų18.91%0.00510%0.102CC..Hα-helixtrans-61.8-42.6174.3-67.4163.4000111L111 Y115 L128 D196 M197 W198 V202 V203 L204 L255 F269L111-I200 HydrophobicContact CD1-CG2 4.3Å; Y115-I200 HydrophobicContact CD1-CD1 3.81Å; Y115-I200 HydrophobicContact CD2-CD1 4.08Å; Y115-I200 HydrophobicContact CE1-CD1 4.46Å; Y115-I200 HydrophobicContact CG-CD1 3.62Å; L128-I200 HydrophobicContact CD1-CD1 3.85Å; L128-I200 HydrophobicContact CD1-CG1 3.67Å; D196-I200 VanDerWaalsContact O-CG1 3.28Å; D196-I200 WeakPolarHBondContact O-CG1 3.17Å; D196-I200 PolarHBondContact O-N 2.94Å; M197-I200 PolarHBondContact O-N 2.9Å; M197-I200 HydrophobicContact SD-CD1 4.37Å; W198-I200 VanDerWaalsContact C-N 3.28Å; W198-I200 PolarHBondContact O-N 3.31Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 2.95Å; I200-V203 PolarHBondContact O-N 2.99Å; I200-L204 HydrophobicContact CG2-CD1 3.82Å; I200-L204 HydrophobicContact CG2-CG 4.17Å; I200-L204 WeakPolarHBondContact O-CG 3.06Å; I200-L204 PolarHBondContact O-N 2.91Å; I200-L255 HydrophobicContact CG2-CD1 4.06Å; I200-F269 HydrophobicContact CD1-CE1 4.3Å; I200-F269 HydrophobicContact CG2-CE1 3.76Å; I200-F269 HydrophobicContact CG2-CZ 3.74Å
201G97.9Very high93.1Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-58.1-43.1175.100000112.8M197 W198 S199 Y205M197-G201 PolarHBondContact O-N 3.49Å; W198-G201 WeakPolarHBondContact O-CA 3.08Å; W198-G201 PolarHBondContact O-N 2.9Å; S199-G201 PolarHBondContact O-N 3.16Å; G201-Y205 WeakPolarHBondContact O-CB 3.46Å; G201-Y205 PolarHBondContact O-N 3.39Å
202V97.5Very high94.3Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-61.7-47.7174.3174.60000111.1Y176 W198 S199 I200 Y205 E206 V212 P213 L256Y176-V202 HydrophobicContact CD1-CB 4.03Å; Y176-V202 HydrophobicContact CD1-CG1 3.38Å; Y176-V202 HydrophobicContact CE1-CG1 3.75Å; Y176-V202 HydrophobicContact CG-CG1 4.19Å; W198-V202 PolarHBondContact O-N 3.48Å; S199-V202 WeakPolarHBondContact O-CB 3.43Å; S199-V202 PolarHBondContact O-N 2.81Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 2.95Å; V202-Y205 PolarHBondContact O-N 2.78Å; V202-E206 WeakPolarHBondContact O-CB 3.47Å; V202-E206 PolarHBondContact O-N 2.8Å; V202-V212 HydrophobicContact CG1-CB 4.38Å; V202-V212 HydrophobicContact CG1-CG1 4.1Å; V202-P213 HydrophobicContact CG2-CG 4.35Å; V202-L256 HydrophobicContact CG2-CD2 3.66Å
203V98.3Very high95.2Very high0 Ų017.5 Ų17.50%010%0.096CC..Hα-helixtrans-59.3-49.1178.5171.70000111.4L89 L111 P130 I133 Y176 S199 I200 Y205 E206 C207L89-V203 HydrophobicContact CD2-CG1 3.62Å; L111-V203 HydrophobicContact CD1-CG1 4.16Å; P130-V203 HydrophobicContact CG-CG1 4.44Å; P130-V203 HydrophobicContact CG-CG2 4.2Å; I133-V203 HydrophobicContact CD1-CB 4.4Å; I133-V203 HydrophobicContact CD1-CG1 3.65Å; I133-V203 HydrophobicContact CD1-CG2 4.07Å; Y176-V203 HydrophobicContact CD1-CG2 4.03Å; Y176-V203 HydrophobicContact CE1-CG2 4.17Å; S199-V203 WeakPolarHBondContact O-CG2 3.4Å; S199-V203 PolarHBondContact O-N 3.42Å; I200-V203 PolarHBondContact O-N 2.99Å; V203-Y205 VanDerWaalsContact C-N 3.32Å; V203-Y205 PolarHBondContact O-N 2.8Å; V203-E206 PolarHBondContact O-N 2.96Å; V203-C207 PolarHBondContact O-N 3.43Å; V203-C207 PolarHBondContact O-SG 3.12Å
204L98.5Very high95.7Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-64.1-38.4-178.4-69.1174000111.9F104 V107 L108 L111 I200 C207 L208 I251 I252 L255 F269F104-L204 HydrophobicContact CE2-CB 4.28Å; F104-L204 HydrophobicContact CE2-CD2 4.03Å; F104-L204 WeakPolarHBondContact CE2-O 3.49Å; F104-L204 HydrophobicContact CZ-CD2 4.43Å; V107-L204 HydrophobicContact CG1-CD2 4.13Å; L108-L204 HydrophobicContact CB-CD2 4.29Å; L108-L204 HydrophobicContact CD1-CD1 3.69Å; L108-L204 HydrophobicContact CD1-CD2 4.06Å; L111-L204 HydrophobicContact CD1-CD2 4.15Å; I200-L204 HydrophobicContact CG2-CD1 3.82Å; I200-L204 HydrophobicContact CG2-CG 4.17Å; I200-L204 WeakPolarHBondContact O-CG 3.06Å; I200-L204 PolarHBondContact O-N 2.91Å; L204-C207 PolarHBondContact O-N 2.87Å; L204-L208 PolarHBondContact O-N 3.28Å; L204-I251 HydrophobicContact CD1-CG2 4.38Å; L204-I252 HydrophobicContact CB-CD1 3.99Å; L204-I252 HydrophobicContact CB-CG1 3.82Å; L204-I252 HydrophobicContact CD1-CG1 4.48Å; L204-L255 HydrophobicContact CD1-CD1 3.76Å; L204-F269 HydrophobicContact CD1-CE2 4.05Å; L204-F269 HydrophobicContact CD1-CZ 4.04Å
205Y98Very high95.6Very high15 Ų1520.8 Ų20.86%0.05911%0.111CC..Hα-helixtrans-61.6-48.5173.1-176.4-84.1000111.3G201 V202 V203 C207 L208 V209 K211 P213 P237 E238 F240 I252G201-Y205 WeakPolarHBondContact O-CB 3.46Å; G201-Y205 PolarHBondContact O-N 3.39Å; V202-Y205 PolarHBondContact O-N 2.78Å; V203-Y205 VanDerWaalsContact C-N 3.32Å; V203-Y205 PolarHBondContact O-N 2.8Å; Y205-C207 VanDerWaalsContact C-N 3.27Å; Y205-C207 PolarHBondContact O-N 3.48Å; Y205-L208 PolarHBondContact O-N 3.42Å; Y205-L208 VanDerWaalsContact O-N 3.08Å; Y205-V209 HydrophobicContact CD1-CB 4.2Å; Y205-V209 HydrophobicContact CD1-CG2 4.11Å; Y205-V209 HydrophobicContact CD2-CG2 4.41Å; Y205-V209 HydrophobicContact CE1-CB 3.78Å; Y205-V209 HydrophobicContact CE1-CG1 3.96Å; Y205-V209 HydrophobicContact CE1-CG2 3.66Å; Y205-V209 HydrophobicContact CE2-CG2 3.97Å; Y205-V209 HydrophobicContact CG-CG2 4.48Å; Y205-V209 PolarHBondContact O-N 3.03Å; Y205-K211 WeakPolarHBondContact CD1-O 3.4Å; Y205-K211 WeakPolarHBondContact CE1-O 3.48Å; Y205-P213 HydrophobicContact CD1-CB 3.53Å; Y205-P213 HydrophobicContact CD1-CG 3.87Å; Y205-P213 HydrophobicContact CD2-CB 4.14Å; Y205-P213 VanDerWaalsContact CE1-CA 3.44Å; Y205-P213 HydrophobicContact CE1-CB 3.63Å; Y205-P213 HydrophobicContact CE1-CG 4.42Å; Y205-P213 HydrophobicContact CE2-CB 4.24Å; Y205-P213 HydrophobicContact CG-CB 3.78Å; Y205-P213 HydrophobicContact CG-CG 4Å; Y205-P237 HydrophobicContact CD2-CB 3.76Å; Y205-P237 HydrophobicContact CD2-CG 4.17Å; Y205-P237 HydrophobicContact CE2-CB 3.53Å; Y205-P237 HydrophobicContact CE2-CG 4.32Å; Y205-E238 PolarHBondContact OH-O 3.11Å; Y205-F240 HydrophobicContact CD2-CD1 4.39Å; Y205-F240 AromaticContact CD2-CE1 3.82Å; Y205-F240 HydrophobicContact CD2-CE1 3.82Å; Y205-F240 HydrophobicContact CD2-CZ 4.16Å; Y205-F240 HydrophobicContact CE2-CD1 4.43Å; Y205-F240 HydrophobicContact CE2-CE1 4.19Å; Y205-F240 HydrophobicContact CE2-CZ 4.42Å; Y205-I252 HydrophobicContact CD2-CG2 4.24Å
206E97.5Very high95.2Very high12 Ų1227.9 Ų27.96%0.05614%0.144CC..Hα-helixtrans-61.1-36.7178.1-171.8-176.9-168.300111.7I93 P130 Y176 V202 V203 L208 V209 G210 K211 V212I93-E206 HydrophobicContact CD1-CG 4.18Å; I93-E206 HydrophobicContact CG2-CG 4.31Å; P130-E206 WeakPolarHBondContact CG-OE2 3.37Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.49Å; Y176-E206 PolarHBondContact OH-OE2 2.76Å; V202-E206 WeakPolarHBondContact O-CB 3.47Å; V202-E206 PolarHBondContact O-N 2.8Å; V203-E206 PolarHBondContact O-N 2.96Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 2.71Å; E206-V209 PolarHBondContact O-N 3.35Å; E206-G210 WeakPolarHBondContact O-CA 3.4Å; E206-G210 PolarHBondContact O-N 3.43Å; E206-K211 WeakPolarHBondContact CA-O 3.35Å; E206-V212 HydrophobicContact CG-CG1 4.42Å
207C97.9Very high94.8Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-60.5-38174.7-69.50000113L99 F104 V203 L204 Y205L99-C207 HydrophobicContact CD1-CB 3.83Å; L99-C207 HydrophobicContact CD2-CB 4.28Å; L99-C207 HydrophobicContact CG-CB 4.49Å; L99-C207 PolarHBondContact N-O 3.05Å; F104-C207 HydrophobicContact CD2-CB 3.81Å; F104-C207 HydrophobicContact CE2-CB 4.25Å; V203-C207 PolarHBondContact O-N 3.43Å; V203-C207 PolarHBondContact O-SG 3.12Å; L204-C207 PolarHBondContact O-N 2.87Å; Y205-C207 VanDerWaalsContact C-N 3.27Å; Y205-C207 PolarHBondContact O-N 3.48Å
208L97Very high94.4Very high1 Ų137.5 Ų37.51%0.00519%0.192CC..Hα-helixtrans-78-41.5-179.9-71.9172.2000112.6S98 M101 F104 L204 Y205 E206 F240 P241 K243 A244 I252S98-L208 WeakPolarHBondContact CB-O 3.41Å; M101-L208 HydrophobicContact SD-CD2 4.14Å; F104-L208 HydrophobicContact CB-CD2 4.48Å; F104-L208 HydrophobicContact CD1-CD2 3.91Å; F104-L208 HydrophobicContact CD2-CD2 3.62Å; F104-L208 HydrophobicContact CD2-CG 3.7Å; F104-L208 HydrophobicContact CE1-CD1 4.39Å; F104-L208 HydrophobicContact CE1-CD2 4.02Å; F104-L208 HydrophobicContact CE1-CG 4.39Å; F104-L208 HydrophobicContact CE2-CD1 3.84Å; F104-L208 HydrophobicContact CE2-CD2 3.75Å; F104-L208 HydrophobicContact CE2-CG 3.43Å; F104-L208 VanDerWaalsContact CE2-CG 3.43Å; F104-L208 HydrophobicContact CG-CD2 3.71Å; F104-L208 HydrophobicContact CG-CG 4.31Å; F104-L208 HydrophobicContact CZ-CD1 3.74Å; F104-L208 HydrophobicContact CZ-CD2 3.94Å; F104-L208 HydrophobicContact CZ-CG 3.81Å; L204-L208 PolarHBondContact O-N 3.28Å; Y205-L208 PolarHBondContact O-N 3.42Å; Y205-L208 VanDerWaalsContact O-N 3.08Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 2.71Å; L208-F240 HydrophobicContact CD1-CD1 4.43Å; L208-P241 HydrophobicContact CB-CG 4.15Å; L208-K243 WeakPolarHBondContact O-CE 3.21Å; L208-K243 PolarHBondContact O-NZ 3.32Å; L208-A244 HydrophobicContact CD1-CB 3.92Å; L208-I252 HydrophobicContact CD1-CD1 3.41Å; L208-I252 VanDerWaalsContact CD1-CD1 3.41Å
209V96.1Very high93.9Very high51 Ų5137.8 Ų37.831%0.30919%0.193SC..Hα-helixtrans-98.5-25.6-168.6177.50000112.7Y205 E206 K211Y205-V209 HydrophobicContact CD1-CB 4.2Å; Y205-V209 HydrophobicContact CD1-CG2 4.11Å; Y205-V209 HydrophobicContact CD2-CG2 4.41Å; Y205-V209 HydrophobicContact CE1-CB 3.78Å; Y205-V209 HydrophobicContact CE1-CG1 3.96Å; Y205-V209 HydrophobicContact CE1-CG2 3.66Å; Y205-V209 HydrophobicContact CE2-CG2 3.97Å; Y205-V209 HydrophobicContact CG-CG2 4.48Å; Y205-V209 PolarHBondContact O-N 3.03Å; E206-V209 PolarHBondContact O-N 3.35Å; V209-K211 VanDerWaalsContact C-N 3.29Å
210G95Very high93.3Very high20 Ų2041 Ų4121%0.20622%0.215CC..SBendtrans81.54.1-173.300000115.3G97 E206G97-G210 WeakPolarHBondContact O-CA 3.45Å; E206-G210 WeakPolarHBondContact O-CA 3.4Å; E206-G210 PolarHBondContact O-N 3.43Å
211K93.7Very high92.8Very high156 Ų15646.4 Ų46.468%0.67824%0.238SC*.SBendtrans-143.4149177.4-61.2-177.7-177.1177.50109.2Y205 E206 V209Y205-K211 WeakPolarHBondContact CD1-O 3.4Å; Y205-K211 WeakPolarHBondContact CE1-O 3.48Å; E206-K211 WeakPolarHBondContact CA-O 3.35Å; V209-K211 VanDerWaalsContact C-N 3.29Å
212V94.3Very high92.4Very high35 Ų3546.8 Ų46.821%0.21224%0.24CC..  trans-61.5149.4173.2-64.20000111.1Y176 V202 E206 F214Y176-V212 HydrophobicContact CE1-CG1 4.26Å; V202-V212 HydrophobicContact CG1-CB 4.38Å; V202-V212 HydrophobicContact CG1-CG1 4.1Å; E206-V212 HydrophobicContact CG-CG1 4.42Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 2.84Å
213P94.1Very high91.8Very high27 Ų2749 Ų4918%0.17525%0.25CC..SBendtrans-72.3-23.5-176.625.1-28.8000113.9V202 Y205 P237 L256V202-P213 HydrophobicContact CG2-CG 4.35Å; Y205-P213 HydrophobicContact CD1-CB 3.53Å; Y205-P213 HydrophobicContact CD1-CG 3.87Å; Y205-P213 HydrophobicContact CD2-CB 4.14Å; Y205-P213 VanDerWaalsContact CE1-CA 3.44Å; Y205-P213 HydrophobicContact CE1-CB 3.63Å; Y205-P213 HydrophobicContact CE1-CG 4.42Å; Y205-P213 HydrophobicContact CE2-CB 4.24Å; Y205-P213 HydrophobicContact CG-CB 3.78Å; Y205-P213 HydrophobicContact CG-CG 4Å; P213-P237 HydrophobicContact CB-CB 3.87Å; P213-L256 HydrophobicContact CG-CD1 4.09Å
214F91.9Very high91.2Very high14 Ų1453.6 Ų53.66%0.06127%0.274CS..  trans-127.8123-174.8-48.2-60.6000109.8W198 V212 A218 L219 L222 Y234 L256W198-F214 HydrophobicContact CH2-CD2 4.32Å; W198-F214 AromaticContact CH2-CE2 3.69Å; W198-F214 HydrophobicContact CH2-CE2 3.69Å; W198-F214 HydrophobicContact CH2-CZ 4.24Å; W198-F214 AromaticContact CZ2-CD2 3.7Å; W198-F214 HydrophobicContact CZ2-CD2 3.7Å; W198-F214 AromaticContact CZ2-CE2 3.41Å; W198-F214 HydrophobicContact CZ2-CE2 3.41Å; W198-F214 VanDerWaalsContact CZ2-CE2 3.41Å; W198-F214 HydrophobicContact CZ2-CZ 4.37Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 2.84Å; F214-A218 HydrophobicContact CB-CB 3.94Å; F214-A218 HydrophobicContact CD1-CB 4.38Å; F214-L219 HydrophobicContact CB-CD2 3.98Å; F214-L219 HydrophobicContact CB-CG 3.98Å; F214-L222 HydrophobicContact CB-CD1 4.31Å; F214-L222 HydrophobicContact CD1-CD1 3.85Å; F214-L222 HydrophobicContact CD2-CD1 3.83Å; F214-L222 HydrophobicContact CE1-CD1 4.17Å; F214-L222 HydrophobicContact CE2-CD1 4.15Å; F214-L222 HydrophobicContact CG-CD1 3.7Å; F214-L222 HydrophobicContact CZ-CD1 4.34Å; F214-Y234 HydrophobicContact CE1-CE2 4.09Å; F214-Y234 HydrophobicContact CZ-CE2 4.14Å; F214-Y234 WeakPolarHBondContact CZ-OH 3.44Å; F214-L256 HydrophobicContact CE2-CD1 4.33Å; F214-L256 HydrophobicContact CE2-CD2 4.08Å; F214-L256 HydrophobicContact CZ-CD1 4.47Å
215D86.7Confident90.8Very high94 Ų9455.2 Ų55.250%0.50328%0.281SS..  trans-75.9175.4167.771.82.8000110.8K217 A218 L219D215-K217 PolarHBondContact O-N 3.05Å; D215-K217 PolarHBondContact OD1-N 2.85Å; D215-A218 PolarHBondContact O-N 3.29Å; D215-A218 VanDerWaalsContact OD1-CB 3.27Å; D215-A218 WeakPolarHBondContact OD1-CB 3.11Å; D215-A218 PolarHBondContact OD1-N 3.48Å; D215-L219 WeakPolarHBondContact O-CG 3.41Å; D215-L219 PolarHBondContact O-N 3.31Å
216E83.4Confident90.2Very high152 Ų15255.1 Ų55.171%0.7128%0.282SS*.Hα-helixtrans-57.2-36.3-179.4-62.8177.3176.100112.6L219 C220E216-L219 PolarHBondContact O-N 3.49Å; E216-C220 PolarHBondContact O-N 3.18Å; E216-C220 PolarHBondContact O-SG 3.5Å; E216-C220 VanDerWaalsContact O-SG 3.33Å
217K85.8Confident89.5Confident174 Ų17455.7 Ų55.776%0.75729%0.289SS*.Hα-helixtrans-69.1-44.1179.1-65.9180-178.1175.70111.1D215 C220 K221D215-K217 PolarHBondContact O-N 3.05Å; D215-K217 PolarHBondContact OD1-N 2.85Å; K217-C220 PolarHBondContact O-N 2.84Å; K217-K221 PolarHBondContact O-N 3.21Å; K217-K221 VanDerWaalsContact O-N 3.14Å
218A87.9Confident89Confident29 Ų2961.4 Ų61.424%0.2432%0.32CS..Hα-helixtrans-61.8-45.1174.700000110.3F214 D215 C220 K221 L222F214-A218 HydrophobicContact CB-CB 3.94Å; F214-A218 HydrophobicContact CD1-CB 4.38Å; D215-A218 PolarHBondContact O-N 3.29Å; D215-A218 VanDerWaalsContact OD1-CB 3.27Å; D215-A218 WeakPolarHBondContact OD1-CB 3.11Å; D215-A218 PolarHBondContact OD1-N 3.48Å; A218-C220 PolarHBondContact O-N 3.3Å; A218-K221 CarbonylContact O-C 3.59Å; A218-K221 WeakPolarHBondContact O-CA 3.44Å; A218-K221 WeakPolarHBondContact O-CB 3.39Å; A218-K221 PolarHBondContact O-N 3.45Å; A218-L222 VanDerWaalsContact O-CG 3.29Å; A218-L222 WeakPolarHBondContact O-CG 3.46Å; A218-L222 PolarHBondContact O-N 3.31Å
219L86.1Confident88.4Confident6 Ų671 Ų713%0.03136%0.356CS..Hα-helixtrans-57.8-46.2176.7-71.6168.1000112.2L175 F214 D215 E216 K221 L222 F223L175-L219 HydrophobicContact CD2-CD1 3.73Å; F214-L219 HydrophobicContact CB-CD2 3.98Å; F214-L219 HydrophobicContact CB-CG 3.98Å; D215-L219 WeakPolarHBondContact O-CG 3.41Å; D215-L219 PolarHBondContact O-N 3.31Å; E216-L219 PolarHBondContact O-N 3.49Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.49Å; L219-L222 HydrophobicContact CD2-CD1 4.5Å; L219-L222 PolarHBondContact O-N 3Å; L219-L222 VanDerWaalsContact O-N 3.09Å; L219-F223 HydrophobicContact CB-CE1 4.45Å; L219-F223 HydrophobicContact CB-CZ 4.22Å; L219-F223 VanDerWaalsContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD1 3.41Å; L219-F223 WeakPolarHBondContact O-CG 3.36Å; L219-F223 PolarHBondContact O-N 2.99Å
220C84.3Confident88Confident74 Ų7472.4 Ų72.450%0.536%0.361SS..Hα-helixtrans-56.4-42.5174-72.60000112.3E216 K217 A218 F223 L224E216-C220 PolarHBondContact O-N 3.18Å; E216-C220 PolarHBondContact O-SG 3.5Å; E216-C220 VanDerWaalsContact O-SG 3.33Å; K217-C220 PolarHBondContact O-N 2.84Å; A218-C220 PolarHBondContact O-N 3.3Å; C220-F223 PolarHBondContact O-N 2.64Å; C220-L224 WeakPolarHBondContact O-CG 3.42Å; C220-L224 PolarHBondContact O-N 3.48Å; C220-L224 VanDerWaalsContact O-N 3.12Å
221K88Confident87.6Confident115 Ų11574.2 Ų74.250%0.536%0.362SS..Hα-helixtrans-64-41.9175.5-175.2179.4175.9-175.60111.7K217 A218 L219 F223 L224 F225K217-K221 PolarHBondContact O-N 3.21Å; K217-K221 VanDerWaalsContact O-N 3.14Å; A218-K221 CarbonylContact O-C 3.59Å; A218-K221 WeakPolarHBondContact O-CA 3.44Å; A218-K221 WeakPolarHBondContact O-CB 3.39Å; A218-K221 PolarHBondContact O-N 3.45Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.49Å; K221-F223 VanDerWaalsContact C-N 3.34Å; K221-L224 PolarHBondContact O-N 2.9Å; K221-F225 HydrophobicContact CD-CE2 4.23Å; K221-F225 HydrophobicContact CD-CZ 4.13Å; K221-F225 VanDerWaalsContact CE-CE2 3.5Å; K221-F225 HydrophobicContact CG-CD2 4.35Å; K221-F225 HydrophobicContact CG-CE1 4.17Å; K221-F225 HydrophobicContact CG-CE2 3.95Å; K221-F225 HydrophobicContact CG-CZ 3.88Å; K221-F225 WeakPolarHBondContact O-CG 3.31Å; K221-F225 PolarHBondContact O-N 3.06Å
222L88.9Confident87Confident7 Ų773.3 Ų73.34%0.03737%0.37CS..Hα-helixtrans-65.5-36.8177.3-63.9178.2000112.2P179 W198 F214 A218 L219 F225 S226 Y234 L258P179-L222 HydrophobicContact CB-CB 4.02Å; P179-L222 HydrophobicContact CG-CB 3.88Å; P179-L222 HydrophobicContact CG-CD1 4.3Å; W198-L222 HydrophobicContact CH2-CD1 3.89Å; W198-L222 HydrophobicContact CZ2-CD1 3.93Å; F214-L222 HydrophobicContact CB-CD1 4.31Å; F214-L222 HydrophobicContact CD1-CD1 3.85Å; F214-L222 HydrophobicContact CD2-CD1 3.83Å; F214-L222 HydrophobicContact CE1-CD1 4.17Å; F214-L222 HydrophobicContact CE2-CD1 4.15Å; F214-L222 HydrophobicContact CG-CD1 3.7Å; F214-L222 HydrophobicContact CZ-CD1 4.34Å; A218-L222 VanDerWaalsContact O-CG 3.29Å; A218-L222 WeakPolarHBondContact O-CG 3.46Å; A218-L222 PolarHBondContact O-N 3.31Å; L219-L222 HydrophobicContact CD2-CD1 4.5Å; L219-L222 PolarHBondContact O-N 3Å; L219-L222 VanDerWaalsContact O-N 3.09Å; L222-F225 HydrophobicContact CD2-CD2 4.47Å; L222-F225 PolarHBondContact O-N 3.13Å; L222-S226 WeakPolarHBondContact O-CB 3.39Å; L222-S226 PolarHBondContact O-N 2.69Å; L222-S226 PolarHBondContact O-OG 2.85Å; L222-Y234 HydrophobicContact CD1-CE2 4.48Å; L222-Y234 HydrophobicContact CD2-CD2 3.36Å; L222-Y234 HydrophobicContact CD2-CE2 3.44Å; L222-Y234 VanDerWaalsContact CD2-CE2 3.44Å; L222-Y234 HydrophobicContact CD2-CG 4.39Å; L222-L258 HydrophobicContact CB-CD1 4.17Å; L222-L258 HydrophobicContact CD2-CD1 4.08Å; L222-L258 HydrophobicContact CD2-CD2 4.08Å
223F85.4Confident86.2Confident47 Ų4773.6 Ų73.621%0.20638%0.38CS..Hα-helixtrans-61.7-44.9173.7-62-12.9000110.7P179 L219 C220 K221 S226 A227P179-F223 HydrophobicContact CB-CD1 4.05Å; P179-F223 HydrophobicContact CB-CE1 4.49Å; L219-F223 HydrophobicContact CB-CE1 4.45Å; L219-F223 HydrophobicContact CB-CZ 4.22Å; L219-F223 VanDerWaalsContact O-CD1 3.26Å; L219-F223 WeakPolarHBondContact O-CD1 3.41Å; L219-F223 WeakPolarHBondContact O-CG 3.36Å; L219-F223 PolarHBondContact O-N 2.99Å; C220-F223 PolarHBondContact O-N 2.64Å; K221-F223 VanDerWaalsContact C-N 3.34Å; F223-S226 PolarHBondContact O-N 3.2Å; F223-A227 VanDerWaalsContact O-CB 3.28Å; F223-A227 WeakPolarHBondContact O-CB 3.34Å; F223-A227 PolarHBondContact O-N 2.74Å
224L85.4Confident85.9Confident96 Ų9673.7 Ų73.750%0.50338%0.377SS..Hα-helixtrans-64.6-42.1176.4-69.2172.6000112.5C220 K221 S226 N228C220-L224 WeakPolarHBondContact O-CG 3.42Å; C220-L224 PolarHBondContact O-N 3.48Å; C220-L224 VanDerWaalsContact O-N 3.12Å; K221-L224 PolarHBondContact O-N 2.9Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-N228 WeakPolarHBondContact O-CB 3.08Å; L224-N228 PolarHBondContact O-N 3.18Å; L224-N228 PolarHBondContact O-ND2 2.81Å
225F88.5Confident85.4Confident35 Ų3577.3 Ų77.315%0.15440%0.397CS..Hα-helixtrans-61.6-43.7175.3-74.3-8.1000111.8K221 L222 N228 R229 N230 L258K221-F225 HydrophobicContact CD-CE2 4.23Å; K221-F225 HydrophobicContact CD-CZ 4.13Å; K221-F225 VanDerWaalsContact CE-CE2 3.5Å; K221-F225 HydrophobicContact CG-CD2 4.35Å; K221-F225 HydrophobicContact CG-CE1 4.17Å; K221-F225 HydrophobicContact CG-CE2 3.95Å; K221-F225 HydrophobicContact CG-CZ 3.88Å; K221-F225 WeakPolarHBondContact O-CG 3.31Å; K221-F225 PolarHBondContact O-N 3.06Å; L222-F225 HydrophobicContact CD2-CD2 4.47Å; L222-F225 PolarHBondContact O-N 3.13Å; F225-N228 PolarHBondContact O-N 3.47Å; F225-R229 WeakPolarHBondContact O-CA 3.33Å; F225-R229 PolarHBondContact O-N 3.24Å; F225-N230 VanDerWaalsContact CB-O 3.31Å; F225-N230 WeakPolarHBondContact CB-O 3.46Å; F225-N230 WeakPolarHBondContact CG-O 3.5Å; F225-N230 PolarHBondContact O-N 3.43Å; F225-L258 HydrophobicContact CB-CD2 3.72Å; F225-L258 HydrophobicContact CD2-CD2 4.07Å; F225-L258 HydrophobicContact CG-CD2 4.43Å
226S85.6Confident85.4Confident12 Ų1273.5 Ų73.58%0.08438%0.38CS..Hα-helixtrans-68.1-44.3179-57.70000112.1P179 L222 F223 L224 N228 R229 L258P179-S226 WeakPolarHBondContact CB-OG 3.39Å; L222-S226 WeakPolarHBondContact O-CB 3.39Å; L222-S226 PolarHBondContact O-N 2.69Å; L222-S226 PolarHBondContact O-OG 2.85Å; F223-S226 PolarHBondContact O-N 3.2Å; L224-S226 VanDerWaalsContact C-N 3.34Å; S226-N228 VanDerWaalsContact C-N 3.3Å; S226-N228 PolarHBondContact O-N 3.15Å; S226-R229 PolarHBondContact O-N 3.42Å; S226-R229 VanDerWaalsContact O-N 3.15Å; S226-L258 VanDerWaalsContact OG-CD1 3.26Å; S226-L258 WeakPolarHBondContact OG-CD1 3.39Å
227A84.4Confident85.6Confident24 Ų2466.9 Ų66.920%0.19835%0.35CS..Hα-helixtrans-60.6-38.8177.300000112.3A183 L186 T187 F223A183-A227 HydrophobicContact CB-CB 3.79Å; L186-A227 HydrophobicContact CD1-CB 4.07Å; T187-A227 HydrophobicContact CG2-CB 4.3Å; F223-A227 VanDerWaalsContact O-CB 3.28Å; F223-A227 WeakPolarHBondContact O-CB 3.34Å; F223-A227 PolarHBondContact O-N 2.74Å
228N85.8Confident85.3Confident120 Ų12064 Ų6464%0.64234%0.34SS*.THydrogen-bonded Turntrans-89.71.7179.2-66.9-58.7000113.8L224 F225 S226 N230L224-N228 WeakPolarHBondContact O-CB 3.08Å; L224-N228 PolarHBondContact O-N 3.18Å; L224-N228 PolarHBondContact O-ND2 2.81Å; F225-N228 PolarHBondContact O-N 3.47Å; S226-N228 VanDerWaalsContact C-N 3.3Å; S226-N228 PolarHBondContact O-N 3.15Å; N228-N230 HydrophobicContact CB-CB 4.34Å; N228-N230 PolarHBondContact O-N 2.95Å; N228-N230 VanDerWaalsContact O-N 3.11Å
229R84.6Confident85.2Confident204 Ų20469.1 Ų69.177%0.7736%0.363SS*.THydrogen-bonded Turntrans49.732.9-171.6-56.6-178.4178.7-177.8-1.5113.2F225 S226 Y231F225-R229 WeakPolarHBondContact O-CA 3.33Å; F225-R229 PolarHBondContact O-N 3.24Å; S226-R229 PolarHBondContact O-N 3.42Å; S226-R229 VanDerWaalsContact O-N 3.15Å; R229-Y231 HydrophobicContact CB-CE2 4.12Å
230N87.5Confident85.5Confident79 Ų7970.7 Ų70.742%0.42237%0.369SS..  trans-102.792179.8-178.38.1000109.9F225 N228F225-N230 VanDerWaalsContact CB-O 3.31Å; F225-N230 WeakPolarHBondContact CB-O 3.46Å; F225-N230 WeakPolarHBondContact CG-O 3.5Å; F225-N230 PolarHBondContact O-N 3.43Å; N228-N230 HydrophobicContact CB-CB 4.34Å; N228-N230 PolarHBondContact O-N 2.95Å; N228-N230 VanDerWaalsContact O-N 3.11Å
231Y87.5Confident85.9Confident58 Ų5869 Ų6923%0.22736%0.357CS..  trans-96.9-8.3-175.3-48.4-62.3000113.7R229 G233 Y234 L258 D259R229-Y231 HydrophobicContact CB-CE2 4.12Å; Y231-G233 PolarHBondContact O-N 2.79Å; Y231-Y234 WeakPolarHBondContact O-CB 3.25Å; Y231-Y234 PolarHBondContact O-N 3.45Å; Y231-Y234 VanDerWaalsContact O-N 3.09Å; Y231-L258 HydrophobicContact CD1-CB 4.14Å; Y231-L258 HydrophobicContact CD1-CD2 3.89Å; Y231-L258 HydrophobicContact CD1-CG 3.77Å; Y231-L258 HydrophobicContact CE1-CG 4.14Å; Y231-D259 HydrophobicContact CD1-CB 4.33Å; Y231-D259 HydrophobicContact CD2-CB 3.96Å; Y231-D259 HydrophobicContact CE1-CB 4.24Å; Y231-D259 HydrophobicContact CE2-CB 3.86Å; Y231-D259 HydrophobicContact CG-CB 4.19Å
232V82Confident86.2Confident137 Ų13773.3 Ų73.383%0.8338%0.379SS*.THydrogen-bonded Turntrans-63-29.3-169.8-178.20000112.6
233G77Confident86.4Confident42 Ų4276.3 Ų76.343%0.43339%0.392SS..THydrogen-bonded Turntrans-90.86.4179.700000115.2Y231Y231-G233 PolarHBondContact O-N 2.79Å
234Y86.6Confident86.8Confident28 Ų2874.2 Ų74.211%0.1138%0.384CS..  trans-97120.4179.2179-111000111F214 L222 Y231 G236 L256 L258F214-Y234 HydrophobicContact CE1-CE2 4.09Å; F214-Y234 HydrophobicContact CZ-CE2 4.14Å; F214-Y234 WeakPolarHBondContact CZ-OH 3.44Å; L222-Y234 HydrophobicContact CD1-CE2 4.48Å; L222-Y234 HydrophobicContact CD2-CD2 3.36Å; L222-Y234 HydrophobicContact CD2-CE2 3.44Å; L222-Y234 VanDerWaalsContact CD2-CE2 3.44Å; L222-Y234 HydrophobicContact CD2-CG 4.39Å; Y231-Y234 WeakPolarHBondContact O-CB 3.25Å; Y231-Y234 PolarHBondContact O-N 3.45Å; Y231-Y234 VanDerWaalsContact O-N 3.09Å; Y234-G236 WeakPolarHBondContact OH-CA 3.45Å; Y234-L256 WeakPolarHBondContact CE1-O 3.26Å; Y234-L256 PolarHBondContact OH-O 2.99Å; Y234-L258 HydrophobicContact CD1-CB 3.5Å; Y234-L258 HydrophobicContact CD1-CD2 4.2Å; Y234-L258 HydrophobicContact CD1-CG 4.46Å; Y234-L258 HydrophobicContact CD2-CD2 4.11Å; Y234-L258 HydrophobicContact CE1-CB 3.77Å; Y234-L258 HydrophobicContact CG-CB 3.93Å; Y234-L258 HydrophobicContact CG-CD2 3.72Å; Y234-L258 HydrophobicContact CG-CG 4.43Å
235N82.7Confident87.2Confident91 Ų9173.2 Ų73.249%0.48738%0.379SS..  trans-101.52.7-178.5-66.2-25.4000113.9
236G86.7Confident87.3Confident14 Ų1477 Ų7714%0.14440%0.397CS..  trans79-176.9-169.500000112.9Y234Y234-G236 WeakPolarHBondContact OH-CA 3.45Å
237P86.4Confident87.6Confident13 Ų1377.7 Ų77.78%0.08440%0.399CS..  trans-66.6137.5165.131.8-37.1000110.8Y205 P213 F240 I252 L256Y205-P237 HydrophobicContact CD2-CB 3.76Å; Y205-P237 HydrophobicContact CD2-CG 4.17Å; Y205-P237 HydrophobicContact CE2-CB 3.53Å; Y205-P237 HydrophobicContact CE2-CG 4.32Å; P213-P237 HydrophobicContact CB-CB 3.87Å; P237-F240 HydrophobicContact CG-CE2 4.14Å; P237-F240 HydrophobicContact CG-CZ 3.87Å; P237-I252 HydrophobicContact CG-CG2 4.47Å; P237-L256 HydrophobicContact CB-CD1 4.37Å; P237-L256 HydrophobicContact CG-CD1 3.74Å
238E80.3Confident88.1Confident114 Ų11476.7 Ų76.753%0.53339%0.39SS..  trans-102.2168171.3-62.7178.8-176.900109.4Y205Y205-E238 PolarHBondContact OH-O 3.11Å
239N85.8Confident88.5Confident135 Ų13573.1 Ų73.172%0.72237%0.369SS*.  trans70.746.3170.6-45.3-54000116.6
240F92.4Very high88.9Confident39 Ų3963.9 Ų63.917%0.17134%0.335CS..  trans-62.3139.1164.1-70.1-82.2000111.2Y205 L208 P237 A244 Q249 I252Y205-F240 HydrophobicContact CD2-CD1 4.39Å; Y205-F240 AromaticContact CD2-CE1 3.82Å; Y205-F240 HydrophobicContact CD2-CE1 3.82Å; Y205-F240 HydrophobicContact CD2-CZ 4.16Å; Y205-F240 HydrophobicContact CE2-CD1 4.43Å; Y205-F240 HydrophobicContact CE2-CE1 4.19Å; Y205-F240 HydrophobicContact CE2-CZ 4.42Å; L208-F240 HydrophobicContact CD1-CD1 4.43Å; P237-F240 HydrophobicContact CG-CE2 4.14Å; P237-F240 HydrophobicContact CG-CZ 3.87Å; F240-A244 HydrophobicContact CB-CB 4.18Å; F240-A244 HydrophobicContact CD1-CB 4.36Å; F240-Q249 HydrophobicContact CB-CG 3.94Å; F240-Q249 HydrophobicContact CD1-CG 4.01Å; F240-Q249 HydrophobicContact CD2-CB 4.24Å; F240-Q249 HydrophobicContact CD2-CG 3.78Å; F240-Q249 HydrophobicContact CE1-CG 4.46Å; F240-Q249 HydrophobicContact CE2-CB 4.25Å; F240-Q249 HydrophobicContact CE2-CG 4.26Å; F240-Q249 HydrophobicContact CG-CB 4.47Å; F240-Q249 HydrophobicContact CG-CG 3.64Å; F240-Q249 HydrophobicContact CZ-CB 4.48Å; F240-I252 HydrophobicContact CE1-CB 3.93Å; F240-I252 HydrophobicContact CE1-CD1 3.82Å; F240-I252 HydrophobicContact CE1-CG1 4.49Å; F240-I252 HydrophobicContact CE1-CG2 3.76Å; F240-I252 HydrophobicContact CZ-CB 4.01Å; F240-I252 HydrophobicContact CZ-CG2 3.74Å
241P93.3Very high89.3Confident38 Ų3860.2 Ų60.225%0.24732%0.315CS..  trans-71.9157.9177.331.9-35.4000110.6L208 K243 A244L208-P241 HydrophobicContact CB-CG 4.15Å; P241-K243 HydrophobicContact CB-CG 4.05Å; P241-K243 HydrophobicContact CG-CD 4.4Å; P241-K243 HydrophobicContact CG-CG 3.77Å; P241-K243 PolarHBondContact O-N 2.92Å; P241-A244 HydrophobicContact CG-CB 4.32Å; P241-A244 WeakPolarHBondContact O-CB 3.46Å; P241-A244 PolarHBondContact O-N 3.4Å
242E92.8Very high89.8Confident206 Ų20657.5 Ų57.596%0.96330%0.304SS*.THydrogen-bonded Turntrans-56-29-178.9-66-176169.400113.7A244E242-A244 PolarHBondContact O-N 2.63Å
243K94Very high90.4Very high70 Ų7051.1 Ų51.130%0.30427%0.266SS..THydrogen-bonded Turntrans-63.6-19.317567179.8178.7-178.30113.8S98 L99 M101 L208 P241 N245S98-K243 PolarHBondContact OG-NZ 2.92Å; L99-K243 PolarHBondContact O-NZ 2.84Å; M101-K243 HydrophobicContact CG-CB 4.12Å; M101-K243 HydrophobicContact SD-CB 3.82Å; M101-K243 HydrophobicContact SD-CD 3.99Å; M101-K243 HydrophobicContact SD-CG 3.88Å; L208-K243 WeakPolarHBondContact O-CE 3.21Å; L208-K243 PolarHBondContact O-NZ 3.32Å; P241-K243 HydrophobicContact CB-CG 4.05Å; P241-K243 HydrophobicContact CG-CD 4.4Å; P241-K243 HydrophobicContact CG-CG 3.77Å; P241-K243 PolarHBondContact O-N 2.92Å; K243-N245 PolarHBondContact O-N 2.85Å
244A94.5Very high91.2Very high4 Ų449.7 Ų49.73%0.03325%0.25CS..SBendtrans-88.6105.5179.300000111L208 F240 P241 E242 H248 Q249L208-A244 HydrophobicContact CD1-CB 3.92Å; F240-A244 HydrophobicContact CB-CB 4.18Å; F240-A244 HydrophobicContact CD1-CB 4.36Å; P241-A244 HydrophobicContact CG-CB 4.32Å; P241-A244 WeakPolarHBondContact O-CB 3.46Å; P241-A244 PolarHBondContact O-N 3.4Å; E242-A244 PolarHBondContact O-N 2.63Å; A244-H248 HydrophobicContact CB-CB 4.36Å; A244-Q249 HydrophobicContact CB-CG 4.41Å; A244-Q249 PolarHBondContact O-NE2 3.42Å
245N93.1Very high91.6Very high75 Ų7548.4 Ų48.440%0.40125%0.245SC..  trans-68.3170.91756932.8000113K243 H247 H248 Q249K243-N245 PolarHBondContact O-N 2.85Å; N245-H247 PolarHBondContact O-N 3.26Å; N245-H247 VanDerWaalsContact O-N 3.14Å; N245-H247 WeakPolarHBondContact OD1-CA 3.39Å; N245-H247 VanDerWaalsContact OD1-CB 3.32Å; N245-H247 WeakPolarHBondContact OD1-CB 3.44Å; N245-H247 PolarHBondContact OD1-N 2.7Å; N245-H248 PolarHBondContact N-ND1 3.5Å; N245-H248 PolarHBondContact ND2-CE1 3.15Å; N245-H248 PolarHBondContact O-N 3.1Å; N245-H248 VanDerWaalsContact O-N 3.14Å; N245-H248 PolarHBondContact OD1-N 3.26Å; N245-H248 PolarHBondContact OD1-ND1 3.45Å; N245-Q249 WeakPolarHBondContact O-CG 3.45Å; N245-Q249 PolarHBondContact O-N 3.29Å; N245-Q249 VanDerWaalsContact O-N 3.11Å
246E90.3Very high92.3Very high115 Ų11544 Ų4454%0.53722%0.222SC..Hα-helixtrans-55.4-32.8-180-63.3-172.4168.300113.2Y250E246-Y250 VanDerWaalsContact O-CB 3.32Å; E246-Y250 WeakPolarHBondContact O-CB 3.27Å; E246-Y250 PolarHBondContact O-N 2.63Å
247H92.3Very high92.6Very high26 Ų2644.2 Ų44.212%0.1222%0.219CC..Hα-helixtrans-70.4-41.7180-172.7-92.5000112.1N245 Y250 I251 L272 L279N245-H247 PolarHBondContact O-N 3.26Å; N245-H247 VanDerWaalsContact O-N 3.14Å; N245-H247 WeakPolarHBondContact OD1-CA 3.39Å; N245-H247 VanDerWaalsContact OD1-CB 3.32Å; N245-H247 WeakPolarHBondContact OD1-CB 3.44Å; N245-H247 PolarHBondContact OD1-N 2.7Å; H247-Y250 PolarHBondContact O-N 3.42Å; H247-I251 VanDerWaalsContact CE1-CD1 3.44Å; H247-I251 WeakPolarHBondContact CE1-CD1 3.06Å; H247-I251 WeakPolarHBondContact O-CG1 3.32Å; H247-I251 PolarHBondContact O-N 3.31Å; H247-L272 PolarHBondContact CE1-O 3.26Å; H247-L272 PolarHBondContact NE2-O 3.2Å; H247-L279 HydrophobicContact CB-CD1 4.42Å
248H95.2Very high92.8Very high2 Ų243.6 Ų43.61%0.00922%0.215CC..Hα-helixtrans-62.5-46.2173.2-57.6144.8000111.4M101 F104 E105 A244 N245 Y250 I251 I252M101-H248 WeakPolarHBondContact CE-CE1 3.48Å; F104-H248 HydrophobicContact CE1-CB 4.43Å; F104-H248 AromaticContact CE1-CD2 3.76Å; F104-H248 AromaticContact CE1-CG 3.87Å; E105-H248 IonicContact OE1-CE1 2.61Å; E105-H248 IonicContact OE1-NE2 2.8Å; E105-H248 PolarHBondContact OE1-NE2 3.29Å; E105-H248 IonicContact OE2-NE2 3.52Å; A244-H248 HydrophobicContact CB-CB 4.36Å; N245-H248 PolarHBondContact N-ND1 3.5Å; N245-H248 PolarHBondContact ND2-CE1 3.15Å; N245-H248 PolarHBondContact O-N 3.1Å; N245-H248 VanDerWaalsContact O-N 3.14Å; N245-H248 PolarHBondContact OD1-N 3.26Å; N245-H248 PolarHBondContact OD1-ND1 3.45Å; H248-Y250 VanDerWaalsContact C-N 3.31Å; H248-Y250 PolarHBondContact O-N 3.49Å; H248-I251 PolarHBondContact O-N 2.82Å; H248-I252 WeakPolarHBondContact O-CB 3.19Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 2.81Å
249Q94.4Very high93.2Very high45 Ų4538.9 Ų38.921%0.2119%0.193CC..Hα-helixtrans-61.6-41.7178.9-62.4-179.429.100111.3F240 A244 N245 G253 L302F240-Q249 HydrophobicContact CB-CG 3.94Å; F240-Q249 HydrophobicContact CD1-CG 4.01Å; F240-Q249 HydrophobicContact CD2-CB 4.24Å; F240-Q249 HydrophobicContact CD2-CG 3.78Å; F240-Q249 HydrophobicContact CE1-CG 4.46Å; F240-Q249 HydrophobicContact CE2-CB 4.25Å; F240-Q249 HydrophobicContact CE2-CG 4.26Å; F240-Q249 HydrophobicContact CG-CB 4.47Å; F240-Q249 HydrophobicContact CG-CG 3.64Å; F240-Q249 HydrophobicContact CZ-CB 4.48Å; A244-Q249 HydrophobicContact CB-CG 4.41Å; A244-Q249 PolarHBondContact O-NE2 3.42Å; N245-Q249 WeakPolarHBondContact O-CG 3.45Å; N245-Q249 PolarHBondContact O-N 3.29Å; N245-Q249 VanDerWaalsContact O-N 3.11Å; Q249-G253 PolarHBondContact O-N 3.35Å; Q249-L302 HydrophobicContact CB-CD1 4.17Å; Q249-L302 VanDerWaalsContact OE1-CD1 3.3Å
250Y93.3Very high93.4Very high11 Ų1133.5 Ų33.54%0.04317%0.168CC..Hα-helixtrans-64.9-44.8177.5-178.9-104.8000112.9E246 H247 H248 S254 L272 L279 F306E246-Y250 VanDerWaalsContact O-CB 3.32Å; E246-Y250 WeakPolarHBondContact O-CB 3.27Å; E246-Y250 PolarHBondContact O-N 2.63Å; H247-Y250 PolarHBondContact O-N 3.42Å; H248-Y250 VanDerWaalsContact C-N 3.31Å; H248-Y250 PolarHBondContact O-N 3.49Å; Y250-S254 WeakPolarHBondContact O-CB 3.5Å; Y250-S254 PolarHBondContact O-N 2.84Å; Y250-S254 PolarHBondContact O-OG 3.46Å; Y250-L272 HydrophobicContact CD1-CD1 4.25Å; Y250-L272 HydrophobicContact CE1-CD1 3.9Å; Y250-L272 HydrophobicContact CE1-CD2 4.43Å; Y250-L279 HydrophobicContact CD1-CD1 4.01Å; Y250-L279 HydrophobicContact CD1-CD2 3.59Å; Y250-L279 HydrophobicContact CD1-CG 4.48Å; Y250-L279 HydrophobicContact CE1-CD2 3.84Å; Y250-L279 HydrophobicContact CG-CD1 3.87Å; Y250-L279 HydrophobicContact CG-CD2 4.25Å; Y250-F306 HydrophobicContact CD2-CB 3.99Å; Y250-F306 AromaticContact CD2-CD2 3.64Å; Y250-F306 HydrophobicContact CD2-CD2 3.64Å; Y250-F306 HydrophobicContact CD2-CG 4.19Å; Y250-F306 HydrophobicContact CE2-CB 3.55Å; Y250-F306 HydrophobicContact CE2-CD2 4.03Å; Y250-F306 HydrophobicContact CE2-CG 4.24Å; Y250-F306 HydrophobicContact CG-CD2 4.36Å; Y250-F306 PolarHBondContact OH-O 3.03Å
251I95.5Very high93.1Very high1 Ų138.4 Ų38.41%0.00520%0.196CC..Hα-helixtrans-59.5-54.9176.5-72.4173.1000110L108 L204 H247 H248 G253 S254 L255 F269 L272L108-I251 HydrophobicContact CD1-CD1 4.34Å; L108-I251 HydrophobicContact CD1-CG2 4.21Å; L108-I251 HydrophobicContact CD2-CD1 4.28Å; L204-I251 HydrophobicContact CD1-CG2 4.38Å; H247-I251 VanDerWaalsContact CE1-CD1 3.44Å; H247-I251 WeakPolarHBondContact CE1-CD1 3.06Å; H247-I251 WeakPolarHBondContact O-CG1 3.32Å; H247-I251 PolarHBondContact O-N 3.31Å; H248-I251 PolarHBondContact O-N 2.82Å; I251-G253 PolarHBondContact O-N 3.19Å; I251-S254 PolarHBondContact O-N 3.02Å; I251-L255 HydrophobicContact CG2-CD1 3.69Å; I251-L255 HydrophobicContact CG2-CG 4.37Å; I251-L255 WeakPolarHBondContact O-CB 3.41Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.33Å; I251-L255 PolarHBondContact O-N 3.44Å; I251-F269 HydrophobicContact CG2-CD2 3.89Å; I251-F269 HydrophobicContact CG2-CE2 3.76Å; I251-L272 HydrophobicContact CD1-CB 3.9Å; I251-L272 HydrophobicContact CG1-CB 3.88Å; I251-L272 HydrophobicContact CG1-CD1 4.36Å
252I96.8Very high93Very high1 Ų142.7 Ų42.71%0.00521%0.21CC..Hα-helixtrans-63.1-45.1-175.7-68.4168.9000110.7F104 L204 Y205 L208 P237 F240 H248 S254 L255 L256F104-I252 HydrophobicContact CZ-CD1 4.35Å; L204-I252 HydrophobicContact CB-CD1 3.99Å; L204-I252 HydrophobicContact CB-CG1 3.82Å; L204-I252 HydrophobicContact CD1-CG1 4.48Å; Y205-I252 HydrophobicContact CD2-CG2 4.24Å; L208-I252 HydrophobicContact CD1-CD1 3.41Å; L208-I252 VanDerWaalsContact CD1-CD1 3.41Å; P237-I252 HydrophobicContact CG-CG2 4.47Å; F240-I252 HydrophobicContact CE1-CB 3.93Å; F240-I252 HydrophobicContact CE1-CD1 3.82Å; F240-I252 HydrophobicContact CE1-CG1 4.49Å; F240-I252 HydrophobicContact CE1-CG2 3.76Å; F240-I252 HydrophobicContact CZ-CB 4.01Å; F240-I252 HydrophobicContact CZ-CG2 3.74Å; H248-I252 WeakPolarHBondContact O-CB 3.19Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 2.81Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.91Å; I252-L255 PolarHBondContact O-N 3.26Å; I252-L256 HydrophobicContact CG2-CD1 3.76Å; I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 3.38Å
253G94.8Very high93Very high3 Ų333 Ų333%0.03117%0.165CC..Hα-helixtrans-59.1-45.3176.900000112.1Q249 I251 L255 L256 E257 N303Q249-G253 PolarHBondContact O-N 3.35Å; I251-G253 PolarHBondContact O-N 3.19Å; G253-L255 VanDerWaalsContact C-N 3.34Å; G253-L255 PolarHBondContact O-N 2.87Å; G253-L256 CarbonylContact O-C 3.58Å; G253-L256 VanDerWaalsContact O-C 3.25Å; G253-L256 PolarHBondContact O-N 3.36Å; G253-E257 PolarHBondContact O-N 3.06Å; G253-E257 VanDerWaalsContact O-N 3.14Å; G253-N303 WeakPolarHBondContact CA-OD1 3.43Å; G253-N303 PolarHBondContact O-ND2 3.23Å; G253-N303 PolarHBondContact O-OD1 3.28Å
254S93.6Very high92.9Very high13 Ų1329.9 Ų29.99%0.09115%0.151CC..Hα-helixtrans-72-25.5-179.2-60.60000113.6Y250 I251 I252 M264 N303Y250-S254 WeakPolarHBondContact O-CB 3.5Å; Y250-S254 PolarHBondContact O-N 2.84Å; Y250-S254 PolarHBondContact O-OG 3.46Å; I251-S254 PolarHBondContact O-N 3.02Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.91Å; S254-M264 PolarHBondContact O-N 2.92Å; S254-N303 PolarHBondContact N-OD1 3.47Å
255L96Very high92.8Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-73.6-36.1168.9-71.3169.1000111.7M197 I200 L204 I251 I252 G253 E257 R263 M264 F269M197-L255 HydrophobicContact CB-CD2 4.04Å; M197-L255 HydrophobicContact CE-CD2 3.28Å; M197-L255 WeakPolarHBondContact O-CD2 3.48Å; I200-L255 HydrophobicContact CG2-CD1 4.06Å; L204-L255 HydrophobicContact CD1-CD1 3.76Å; I251-L255 HydrophobicContact CG2-CD1 3.69Å; I251-L255 HydrophobicContact CG2-CG 4.37Å; I251-L255 WeakPolarHBondContact O-CB 3.41Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.33Å; I251-L255 PolarHBondContact O-N 3.44Å; I252-L255 PolarHBondContact O-N 3.26Å; G253-L255 VanDerWaalsContact C-N 3.34Å; G253-L255 PolarHBondContact O-N 2.87Å; L255-E257 PolarHBondContact O-N 3.49Å; L255-R263 WeakPolarHBondContact O-CD 3.18Å; L255-R263 VanDerWaalsContact O-CG 3.26Å; L255-R263 WeakPolarHBondContact O-CG 3.17Å; L255-M264 HydrophobicContact CD2-CB 4.16Å; L255-M264 HydrophobicContact CD2-SD 4.16Å; L255-M264 HydrophobicContact CG-SD 4.35Å; L255-F269 HydrophobicContact CD1-CD2 4.12Å; L255-F269 HydrophobicContact CD1-CE2 4.02Å; L255-F269 HydrophobicContact CD2-CB 4.49Å; L255-F269 HydrophobicContact CD2-CD2 4.38Å; L255-F269 HydrophobicContact CD2-CG 4.3Å
256L95.9Very high92.7Very high0 Ų032.1 Ų32.10%016%0.158CC..THydrogen-bonded Turntrans-90.125176.1-64.5172.4000112.4W198 V202 P213 F214 Y234 P237 I252 G253 L258W198-L256 HydrophobicContact CD2-CD2 3.83Å; W198-L256 HydrophobicContact CE3-CD2 4.08Å; W198-L256 HydrophobicContact CG-CD2 4.29Å; W198-L256 HydrophobicContact CH2-CD2 4.37Å; W198-L256 HydrophobicContact CZ2-CD2 4.16Å; W198-L256 HydrophobicContact CZ3-CB 4.39Å; W198-L256 HydrophobicContact CZ3-CD2 4.34Å; W198-L256 WeakPolarHBondContact CZ3-O 3.49Å; V202-L256 HydrophobicContact CG2-CD2 3.66Å; P213-L256 HydrophobicContact CG-CD1 4.09Å; F214-L256 HydrophobicContact CE2-CD1 4.33Å; F214-L256 HydrophobicContact CE2-CD2 4.08Å; F214-L256 HydrophobicContact CZ-CD1 4.47Å; Y234-L256 WeakPolarHBondContact CE1-O 3.26Å; Y234-L256 PolarHBondContact OH-O 2.99Å; P237-L256 HydrophobicContact CB-CD1 4.37Å; P237-L256 HydrophobicContact CG-CD1 3.74Å; I252-L256 HydrophobicContact CG2-CD1 3.76Å; I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 3.38Å; G253-L256 CarbonylContact O-C 3.58Å; G253-L256 VanDerWaalsContact O-C 3.25Å; G253-L256 PolarHBondContact O-N 3.36Å; L256-L258 PolarHBondContact O-N 3.33Å
257E93.2Very high92.8Very high17 Ų1729.1 Ų29.18%0.07915%0.153CC..  trans-67.7126.5170.3174.454.4-119.400109.8G253 L255 D259 K262 R263G253-E257 PolarHBondContact O-N 3.06Å; G253-E257 VanDerWaalsContact O-N 3.14Å; L255-E257 PolarHBondContact O-N 3.49Å; E257-D259 WeakPolarHBondContact CG-O 3.5Å; E257-D259 PolarHBondContact OE1-N 2.94Å; E257-D259 VanDerWaalsContact OE1-N 3.13Å; E257-K262 HydrophobicContact CG-CB 3.66Å; E257-R263 HydrophobicContact CB-CB 4.08Å; E257-R263 HydrophobicContact CB-CG 4.27Å; E257-R263 HydrophobicContact CG-CB 4.43Å; E257-R263 PolarHBondContact O-NE 2.87Å; E257-R263 PolarHBondContact O-NH2 3.33Å
258L91.9Very high92.8Very high1 Ų130.7 Ų30.71%0.00516%0.16CC..SBendtrans-71.7-36.2-173.9-171.960.6000111.8P179 W198 L222 F225 S226 Y231 Y234 L256 A260P179-L258 HydrophobicContact CB-CD1 3.68Å; P179-L258 HydrophobicContact CG-CD1 3.59Å; W198-L258 HydrophobicContact CH2-CD1 4.31Å; W198-L258 HydrophobicContact CZ3-CD1 4.28Å; L222-L258 HydrophobicContact CB-CD1 4.17Å; L222-L258 HydrophobicContact CD2-CD1 4.08Å; L222-L258 HydrophobicContact CD2-CD2 4.08Å; F225-L258 HydrophobicContact CB-CD2 3.72Å; F225-L258 HydrophobicContact CD2-CD2 4.07Å; F225-L258 HydrophobicContact CG-CD2 4.43Å; S226-L258 VanDerWaalsContact OG-CD1 3.26Å; S226-L258 WeakPolarHBondContact OG-CD1 3.39Å; Y231-L258 HydrophobicContact CD1-CB 4.14Å; Y231-L258 HydrophobicContact CD1-CD2 3.89Å; Y231-L258 HydrophobicContact CD1-CG 3.77Å; Y231-L258 HydrophobicContact CE1-CG 4.14Å; Y234-L258 HydrophobicContact CD1-CB 3.5Å; Y234-L258 HydrophobicContact CD1-CD2 4.2Å; Y234-L258 HydrophobicContact CD1-CG 4.46Å; Y234-L258 HydrophobicContact CD2-CD2 4.11Å; Y234-L258 HydrophobicContact CE1-CB 3.77Å; Y234-L258 HydrophobicContact CG-CB 3.93Å; Y234-L258 HydrophobicContact CG-CD2 3.72Å; Y234-L258 HydrophobicContact CG-CG 4.43Å; L256-L258 PolarHBondContact O-N 3.33Å; L258-A260 PolarHBondContact O-N 3.46Å
259D89.1Confident92.8Very high15 Ų1530.7 Ų30.78%0.0816%0.16CC..SBendtrans-77.4104.4172.1-177.8-4.9000110.3Y231 E257 N261 K262 R263Y231-D259 HydrophobicContact CD1-CB 4.33Å; Y231-D259 HydrophobicContact CD2-CB 3.96Å; Y231-D259 HydrophobicContact CE1-CB 4.24Å; Y231-D259 HydrophobicContact CE2-CB 3.86Å; Y231-D259 HydrophobicContact CG-CB 4.19Å; E257-D259 WeakPolarHBondContact CG-O 3.5Å; E257-D259 PolarHBondContact OE1-N 2.94Å; E257-D259 VanDerWaalsContact OE1-N 3.13Å; D259-N261 PolarHBondContact O-N 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.39Å; D259-N261 PolarHBondContact OD1-N 3.26Å; D259-N261 VanDerWaalsContact OD1-N 3.13Å; D259-N261 PolarHBondContact OD1-ND2 3.46Å; D259-K262 HydrophobicContact CB-CB 4.28Å; D259-K262 HydrophobicContact CB-CD 4.12Å; D259-K262 HydrophobicContact CB-CG 4.3Å; D259-K262 WeakPolarHBondContact O-CA 3.29Å; D259-K262 PolarHBondContact O-N 2.98Å; D259-K262 WeakPolarHBondContact OD2-CD 3.37Å; D259-K262 WeakPolarHBondContact OD2-CE 3.22Å; D259-K262 IonicContact OD2-NZ 3.72Å; D259-K262 PolarHBondContact OD2-NZ 3.49Å; D259-R263 PolarHBondContact O-N 2.89Å
260A89Confident92.8Very high22 Ų2230 Ų3018%0.18216%0.157CC..THydrogen-bonded Turntrans-53.7-27.2-178.400000113.8K194 L258 K262 R263K194-A260 PolarHBondContact NZ-O 3.35Å; L258-A260 PolarHBondContact O-N 3.46Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.04Å; A260-R263 PolarHBondContact O-N 3.21Å
261N86.5Confident92.8Very high142 Ų14229.7 Ų29.776%0.75916%0.156SC*.THydrogen-bonded Turntrans-69.7-30.7176.5-58.6-66.5000112.6D259D259-N261 PolarHBondContact O-N 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.39Å; D259-N261 PolarHBondContact OD1-N 3.26Å; D259-N261 VanDerWaalsContact OD1-N 3.13Å; D259-N261 PolarHBondContact OD1-ND2 3.46Å
262K90Very high92.8Very high128 Ų12829.6 Ų29.656%0.55716%0.156SC*.THydrogen-bonded Turntrans-93.8-15.6178.1-64.2176.3-171155.40112.8E257 D259 A260E257-K262 HydrophobicContact CG-CB 3.66Å; D259-K262 HydrophobicContact CB-CB 4.28Å; D259-K262 HydrophobicContact CB-CD 4.12Å; D259-K262 HydrophobicContact CB-CG 4.3Å; D259-K262 WeakPolarHBondContact O-CA 3.29Å; D259-K262 PolarHBondContact O-N 2.98Å; D259-K262 WeakPolarHBondContact OD2-CD 3.37Å; D259-K262 WeakPolarHBondContact OD2-CE 3.22Å; D259-K262 IonicContact OD2-NZ 3.72Å; D259-K262 PolarHBondContact OD2-NZ 3.49Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.04Å
263R92.8Very high92.7Very high2 Ų229.6 Ų29.61%0.00816%0.156CC..SBendtrans-59.6141.3178.4-165.6180-58.3142.34.5112.2E180 K194 M197 L255 E257 D259 A260 K265E180-R263 IonicContact OE1-CZ 3.33Å; E180-R263 IonicContact OE1-NH1 2.73Å; E180-R263 PolarHBondContact OE1-NH1 3.23Å; E180-R263 IonicContact OE1-NH2 3.6Å; E180-R263 PolarHBondContact OE1-NH2 3.4Å; E180-R263 IonicContact OE2-CZ 3.04Å; E180-R263 IonicContact OE2-NH1 3.04Å; E180-R263 PolarHBondContact OE2-NH1 3.23Å; E180-R263 IonicContact OE2-NH2 3.51Å; E180-R263 PolarHBondContact OE2-NH2 3.43Å; K194-R263 WeakPolarHBondContact CE-O 3.34Å; K194-R263 PolarHBondContact NZ-O 3.42Å; K194-R263 WeakPolarHBondContact O-CD 3.49Å; K194-R263 PolarHBondContact O-NH1 2.86Å; M197-R263 HydrophobicContact CB-CG 4.44Å; L255-R263 WeakPolarHBondContact O-CD 3.18Å; L255-R263 VanDerWaalsContact O-CG 3.26Å; L255-R263 WeakPolarHBondContact O-CG 3.17Å; E257-R263 HydrophobicContact CB-CB 4.08Å; E257-R263 HydrophobicContact CB-CG 4.27Å; E257-R263 HydrophobicContact CG-CB 4.43Å; E257-R263 PolarHBondContact O-NE 2.87Å; E257-R263 PolarHBondContact O-NH2 3.33Å; D259-R263 PolarHBondContact O-N 2.89Å; A260-R263 PolarHBondContact O-N 3.21Å; R263-K265 PolarHBondContact O-N 3.31Å
264M93Very high92.7Very high5 Ų532.6 Ų32.63%0.02517%0.171CC..PPolyproline II helixtrans-52.4137.2-179.9-170.3-177-6000112.2K194 M197 S254 L255 E268 F269 L272K194-M264 WeakPolarHBondContact CD-O 3.36Å; M197-M264 WeakPolarHBondContact CG-O 3.26Å; S254-M264 PolarHBondContact O-N 2.92Å; L255-M264 HydrophobicContact CD2-CB 4.16Å; L255-M264 HydrophobicContact CD2-SD 4.16Å; L255-M264 HydrophobicContact CG-SD 4.35Å; M264-E268 HydrophobicContact CG-CB 3.67Å; M264-E268 HydrophobicContact SD-CB 4.44Å; M264-F269 HydrophobicContact CG-CB 4.23Å; M264-F269 WeakPolarHBondContact SD-CA 3.24Å; M264-F269 HydrophobicContact SD-CB 3.49Å; M264-F269 WeakPolarHBondContact SD-CB 3.25Å; M264-F269 HydrophobicContact SD-CD2 4.11Å; M264-F269 HydrophobicContact SD-CG 4.24Å; M264-F269 PolarHBondContact SD-N 3.45Å; M264-F269 VanDerWaalsContact SD-N 3.43Å; M264-L272 HydrophobicContact CE-CD1 3.48Å; M264-L272 VanDerWaalsContact CE-CD1 3.48Å; M264-L272 HydrophobicContact SD-CD1 3.95Å
265K91.8Very high92.6Very high114 Ų11434 Ų3450%0.49618%0.176SC..PPolyproline II helixtrans-84.2157.2174.8-66.8171.2-178.1177.70111.5K194 R263 A267 E268 F269K194-K265 VanDerWaalsContact CE-CG 3.41Å; R263-K265 PolarHBondContact O-N 3.31Å; K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 3.19Å; K265-E268 HydrophobicContact CB-CB 4.49Å; K265-E268 HydrophobicContact CB-CG 4.21Å; K265-E268 WeakPolarHBondContact CB-OE2 3.34Å; K265-E268 PolarHBondContact N-OE2 3Å; K265-E268 WeakPolarHBondContact O-CB 3.28Å; K265-E268 PolarHBondContact O-N 3.19Å; K265-F269 PolarHBondContact O-N 2.84Å
266P92.3Very high92.3Very high11 Ų1138.4 Ų38.47%0.07119%0.192CC..Hα-helixtrans-55.9-39179.1-26.134.9000114.1Y115 M197 F269 H270Y115-P266 HydrophobicContact CD1-CB 4.15Å; Y115-P266 HydrophobicContact CD1-CG 4.31Å; Y115-P266 HydrophobicContact CE1-CB 4.15Å; Y115-P266 HydrophobicContact CE1-CG 3.81Å; M197-P266 HydrophobicContact CG-CG 4.44Å; M197-P266 HydrophobicContact SD-CB 4.21Å; M197-P266 HydrophobicContact SD-CG 3.8Å; P266-F269 PolarHBondContact O-N 3.19Å; P266-H270 WeakPolarHBondContact O-CB 3.32Å; P266-H270 PolarHBondContact O-N 3.36Å
267A90.6Very high91.8Very high53 Ų5339.1 Ų39.144%0.43820%0.197SC..Hα-helixtrans-67.8-37.3177.800000113.1K265 C271K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 3.19Å; A267-C271 WeakPolarHBondContact O-CB 3.42Å; A267-C271 PolarHBondContact O-N 3.15Å
268E92.5Very high91.4Very high59 Ų5943.3 Ų43.328%0.27623%0.226SC..Hα-helixtrans-67.9-42.6176.2-68.4169.5162.200110.6M264 K265 C271 L272 I308M264-E268 HydrophobicContact CG-CB 3.67Å; M264-E268 HydrophobicContact SD-CB 4.44Å; K265-E268 HydrophobicContact CB-CB 4.49Å; K265-E268 HydrophobicContact CB-CG 4.21Å; K265-E268 WeakPolarHBondContact CB-OE2 3.34Å; K265-E268 PolarHBondContact N-OE2 3Å; K265-E268 WeakPolarHBondContact O-CB 3.28Å; K265-E268 PolarHBondContact O-N 3.19Å; E268-C271 WeakPolarHBondContact O-CB 3.3Å; E268-C271 PolarHBondContact O-N 2.96Å; E268-L272 WeakPolarHBondContact O-CG 3.38Å; E268-L272 PolarHBondContact O-N 3.27Å; E268-I308 HydrophobicContact CB-CD1 3.7Å; E268-I308 HydrophobicContact CG-CD1 3.53Å
269F95.6Very high91Very high1 Ų145 Ų450%0.00423%0.234CC..Hα-helixtrans-61-48.4175.1177-134.6000112L108 L111 A112 M197 I200 L204 I251 L255 M264 K265 P266 C271 L272 A273L108-F269 HydrophobicContact CD1-CE2 3.71Å; L108-F269 HydrophobicContact CD1-CZ 4.12Å; L111-F269 HydrophobicContact CB-CE1 4.45Å; L111-F269 HydrophobicContact CB-CZ 4.48Å; A112-F269 HydrophobicContact CB-CD1 4.08Å; A112-F269 HydrophobicContact CB-CE1 3.7Å; A112-F269 HydrophobicContact CB-CE2 4.29Å; A112-F269 HydrophobicContact CB-CZ 3.8Å; M197-F269 HydrophobicContact CE-CB 3.42Å; M197-F269 VanDerWaalsContact CE-CB 3.42Å; M197-F269 HydrophobicContact CE-CD1 3.88Å; M197-F269 HydrophobicContact CE-CG 3.86Å; I200-F269 HydrophobicContact CD1-CE1 4.3Å; I200-F269 HydrophobicContact CG2-CE1 3.76Å; I200-F269 HydrophobicContact CG2-CZ 3.74Å; L204-F269 HydrophobicContact CD1-CE2 4.05Å; L204-F269 HydrophobicContact CD1-CZ 4.04Å; I251-F269 HydrophobicContact CG2-CD2 3.89Å; I251-F269 HydrophobicContact CG2-CE2 3.76Å; L255-F269 HydrophobicContact CD1-CD2 4.12Å; L255-F269 HydrophobicContact CD1-CE2 4.02Å; L255-F269 HydrophobicContact CD2-CB 4.49Å; L255-F269 HydrophobicContact CD2-CD2 4.38Å; L255-F269 HydrophobicContact CD2-CG 4.3Å; M264-F269 HydrophobicContact CG-CB 4.23Å; M264-F269 WeakPolarHBondContact SD-CA 3.24Å; M264-F269 HydrophobicContact SD-CB 3.49Å; M264-F269 WeakPolarHBondContact SD-CB 3.25Å; M264-F269 HydrophobicContact SD-CD2 4.11Å; M264-F269 HydrophobicContact SD-CG 4.24Å; M264-F269 PolarHBondContact SD-N 3.45Å; M264-F269 VanDerWaalsContact SD-N 3.43Å; K265-F269 PolarHBondContact O-N 2.84Å; P266-F269 PolarHBondContact O-N 3.19Å; F269-C271 VanDerWaalsContact C-N 3.31Å; F269-C271 PolarHBondContact O-N 2.98Å; F269-L272 PolarHBondContact O-N 2.92Å; F269-A273 HydrophobicContact CD2-CB 4.41Å; F269-A273 HydrophobicContact CE2-CB 4.13Å; F269-A273 VanDerWaalsContact O-CB 3.29Å; F269-A273 WeakPolarHBondContact O-CB 3.1Å; F269-A273 PolarHBondContact O-N 2.83Å
270H95.1Very high90.3Very high30 Ų3050.5 Ų50.514%0.13926%0.258CS..Hα-helixtrans-55.6-47.6173.9-176.6-75.8000111.8K116 P266 L272 I274K116-H270 HydrophobicContact CB-CB 4.1Å; K116-H270 HydrophobicContact CD-CB 4.14Å; K116-H270 HydrophobicContact CG-CB 4.03Å; P266-H270 WeakPolarHBondContact O-CB 3.32Å; P266-H270 PolarHBondContact O-N 3.36Å; H270-L272 PolarHBondContact O-N 3.33Å; H270-I274 WeakPolarHBondContact O-CB 3.19Å; H270-I274 VanDerWaalsContact O-CG1 3.28Å; H270-I274 WeakPolarHBondContact O-CG1 3.32Å; H270-I274 PolarHBondContact O-N 3.39Å
271C93.7Very high89.3Confident5 Ų556.5 Ų56.53%0.03428%0.28CS..Iπ-helixtrans-58.7-50.2178.3-179.20000112.2A267 E268 F269 H275 R276 C311 C314A267-C271 WeakPolarHBondContact O-CB 3.42Å; A267-C271 PolarHBondContact O-N 3.15Å; E268-C271 WeakPolarHBondContact O-CB 3.3Å; E268-C271 PolarHBondContact O-N 2.96Å; F269-C271 VanDerWaalsContact C-N 3.31Å; F269-C271 PolarHBondContact O-N 2.98Å; C271-H275 WeakPolarHBondContact O-CA 3.39Å; C271-H275 VanDerWaalsContact O-CB 3.25Å; C271-H275 WeakPolarHBondContact O-CB 3.5Å; C271-H275 PolarHBondContact O-N 3.2Å; C271-R276 PolarHBondContact O-N 3.21Å; C271-C311 WeakPolarHBondContact SG-CB 3.48Å; C271-C311 PolarHBondContact SG-SG 2.95Å; C271-C314 VanDerWaalsContact CB-SG 3.59Å; C271-C314 VanDerWaalsContact SG-SG 3.63Å
272L94Very high88.1Confident0 Ų055.6 Ų55.60%027%0.266CS..Iπ-helixtrans-65.6-48.5-177.7-72.2165.8000111H247 Y250 I251 M264 E268 F269 H270 R276 P277 L279 I308H247-L272 PolarHBondContact CE1-O 3.26Å; H247-L272 PolarHBondContact NE2-O 3.2Å; Y250-L272 HydrophobicContact CD1-CD1 4.25Å; Y250-L272 HydrophobicContact CE1-CD1 3.9Å; Y250-L272 HydrophobicContact CE1-CD2 4.43Å; I251-L272 HydrophobicContact CD1-CB 3.9Å; I251-L272 HydrophobicContact CG1-CB 3.88Å; I251-L272 HydrophobicContact CG1-CD1 4.36Å; M264-L272 HydrophobicContact CE-CD1 3.48Å; M264-L272 VanDerWaalsContact CE-CD1 3.48Å; M264-L272 HydrophobicContact SD-CD1 3.95Å; E268-L272 WeakPolarHBondContact O-CG 3.38Å; E268-L272 PolarHBondContact O-N 3.27Å; F269-L272 PolarHBondContact O-N 2.92Å; H270-L272 PolarHBondContact O-N 3.33Å; L272-R276 WeakPolarHBondContact O-CA 3.46Å; L272-R276 WeakPolarHBondContact O-CG 3.47Å; L272-R276 PolarHBondContact O-N 3.37Å; L272-P277 HydrophobicContact CD2-CG 4.09Å; L272-L279 HydrophobicContact CD2-CD2 3.85Å; L272-I308 HydrophobicContact CD1-CG1 4.47Å
273A95.6Very high86.3Confident0 Ų058.8 Ų58.80%028%0.28CS..Iπ-helixtrans-66.4-41.2-178.200000113.6L108 A112 F269L108-A273 HydrophobicContact CD1-CB 4.11Å; L108-A273 HydrophobicContact CG-CB 3.98Å; A112-A273 HydrophobicContact CB-CB 3.41Å; A112-A273 VanDerWaalsContact CB-CB 3.41Å; F269-A273 HydrophobicContact CD2-CB 4.41Å; F269-A273 HydrophobicContact CE2-CB 4.13Å; F269-A273 VanDerWaalsContact O-CB 3.29Å; F269-A273 WeakPolarHBondContact O-CB 3.1Å; F269-A273 PolarHBondContact O-N 2.83Å
274I94.5Very high84.2Confident66 Ų6666.3 Ų66.334%0.33832%0.32SS..Iπ-helixtrans-94-49.4-172.9-53.5-60.2000112T109 A112 H270T109-I274 HydrophobicContact CG2-CD1 4.03Å; A112-I274 HydrophobicContact CB-CD1 4.33Å; A112-I274 HydrophobicContact CB-CG1 4.37Å; H270-I274 WeakPolarHBondContact O-CB 3.19Å; H270-I274 VanDerWaalsContact O-CG1 3.28Å; H270-I274 WeakPolarHBondContact O-CG1 3.32Å; H270-I274 PolarHBondContact O-N 3.39Å
275H91Very high81.8Confident42 Ų4272.3 Ų72.319%0.19436%0.357CS..Iπ-helixtrans-88.6-18.5-174.4-51.6159000113.2C271 C311 L313 C314C271-H275 WeakPolarHBondContact O-CA 3.39Å; C271-H275 VanDerWaalsContact O-CB 3.25Å; C271-H275 WeakPolarHBondContact O-CB 3.5Å; C271-H275 PolarHBondContact O-N 3.2Å; H275-C311 PolarHBondContact ND1-SG 2.81Å; H275-L313 HydrophobicContact CB-CD1 4.14Å; H275-C314 VanDerWaalsContact CE1-SG 3.51Å; H275-C314 PolarHBondContact ND1-SG 2.99Å; H275-C314 VanDerWaalsContact ND1-SG 3.41Å
276R89.4Confident78.9Confident94 Ų9470.5 Ų70.536%0.35537%0.371SS..  trans43.954.3178.7-58.6-170.3-175.2-120.1-11.4114.2E105 C271 L272E105-R276 IonicContact OE1-CZ 3.65Å; E105-R276 IonicContact OE1-NH1 3.77Å; E105-R276 PolarHBondContact OE1-NH1 3.24Å; E105-R276 IonicContact OE1-NH2 3.37Å; E105-R276 PolarHBondContact OE1-NH2 2.99Å; E105-R276 IonicContact OE2-CZ 2.73Å; E105-R276 IonicContact OE2-NH1 3.6Å; E105-R276 PolarHBondContact OE2-NH1 2.95Å; E105-R276 IonicContact OE2-NH2 2.98Å; E105-R276 PolarHBondContact OE2-NH2 2.83Å; C271-R276 PolarHBondContact O-N 3.21Å; L272-R276 WeakPolarHBondContact O-CA 3.46Å; L272-R276 WeakPolarHBondContact O-CG 3.47Å; L272-R276 PolarHBondContact O-N 3.37Å
277P87.1Confident76Confident14 Ų1474.7 Ų74.79%0.09141%0.406CS..PPolyproline II helixtrans-63.2147.6176.431.9-36.5000110L272 L279 P309L272-P277 HydrophobicContact CD2-CG 4.09Å; P277-L279 PolarHBondContact O-N 2.91Å; P277-P309 HydrophobicContact CB-CB 4.45Å; P277-P309 HydrophobicContact CB-CG 4.08Å; P277-P309 HydrophobicContact CG-CG 4.41Å
278P84.4Confident73.2Confident106 Ų10681.7 Ų81.769%0.68843%0.427SS*.PPolyproline II helixtrans-63.7127-179.525.2-33.5000110.8K280 P309P278-K280 PolarHBondContact O-N 3.16Å; P278-P309 WeakPolarHBondContact O-CG 3.38Å
279L84Confident70.4Confident36 Ų3683.7 Ų83.719%0.18845%0.447CS..PPolyproline II helixtrans-66.5121.3179.7-60-178.8000110.5H247 Y250 L272 P277 F306H247-L279 HydrophobicContact CB-CD1 4.42Å; Y250-L279 HydrophobicContact CD1-CD1 4.01Å; Y250-L279 HydrophobicContact CD1-CD2 3.59Å; Y250-L279 HydrophobicContact CD1-CG 4.48Å; Y250-L279 HydrophobicContact CE1-CD2 3.84Å; Y250-L279 HydrophobicContact CG-CD1 3.87Å; Y250-L279 HydrophobicContact CG-CD2 4.25Å; L272-L279 HydrophobicContact CD2-CD2 3.85Å; P277-L279 PolarHBondContact O-N 2.91Å; L279-F306 HydrophobicContact CB-CB 4.4Å; L279-F306 HydrophobicContact CB-CD1 3.46Å; L279-F306 VanDerWaalsContact CB-CD1 3.46Å; L279-F306 HydrophobicContact CB-CE1 3.79Å; L279-F306 HydrophobicContact CB-CG 4.03Å; L279-F306 HydrophobicContact CD1-CD1 4.43Å; L279-F306 HydrophobicContact CD1-CE1 4.48Å; L279-F306 HydrophobicContact CD1-CG 4.43Å
280K73.5Confident67.3Low130 Ų13089.4 Ų89.457%0.56548%0.482SS*.EExtended strand (participates in β ladder)trans-90.1116.3176.4-70.7-177.6-177.71750109.6P278 R282 F306 L307 P309P278-K280 PolarHBondContact O-N 3.16Å; K280-R282 PolarHBondContact O-N 3.25Å; K280-F306 VanDerWaalsContact O-CA 3.25Å; K280-F306 WeakPolarHBondContact O-CA 3.13Å; K280-L307 PolarHBondContact O-N 3.15Å; K280-P309 HydrophobicContact CG-CG 4.42Å
281K67.2Low64.3Low148 Ų14896.4 Ų96.464%0.64352%0.52SS*.EExtended strand (participates in β ladder)trans-59.3129.9171.8-70.5-176.3-179.6-1800109.3K283 A305 F306K281-K283 PolarHBondContact O-N 3.38Å; K281-A305 CarbonylContact C-O 3.53Å; K281-A305 VanDerWaalsContact CA-O 3.24Å; K281-A305 WeakPolarHBondContact CA-O 3.44Å; K281-F306 HydrophobicContact CB-CD1 4.48Å; K281-F306 HydrophobicContact CB-CE1 4.47Å; K281-F306 HydrophobicContact CD-CE1 4.39Å; K281-F306 HydrophobicContact CG-CD1 3.87Å; K281-F306 HydrophobicContact CG-CE1 3.42Å; K281-F306 VanDerWaalsContact CG-CE1 3.42Å; K281-F306 HydrophobicContact CG-CZ 4.16Å
282R61.3Low61.3Low124 Ų12499.6 Ų99.647%0.46855%0.553SS.*PPolyproline II helixtrans-58.6121.7170.2-86.6176.5155.7-175.40.3107.8K280 N284 H304 A305 L307K280-R282 PolarHBondContact O-N 3.25Å; R282-N284 PolarHBondContact O-N 2.86Å; R282-H304 WeakPolarHBondContact CD-O 3.42Å; R282-A305 PolarHBondContact N-O 2.75Å; R282-L307 HydrophobicContact CG-CD1 4.11Å; R282-L307 HydrophobicContact CG-CD2 4.33Å; R282-L307 HydrophobicContact CG-CG 3.7Å
283K52.7Low58.1Low195 Ų195109.2 Ų109.285%0.84860%0.598SS**PPolyproline II helixtrans-64.1118.8167.3-69.5-175.3177.9-177.80106.7K281 T285K281-K283 PolarHBondContact O-N 3.38Å; K283-T285 PolarHBondContact O-N 3.06Å
284N49.1Very low55.1Low160 Ų160114.4 Ų114.486%0.85664%0.635SS**  trans-58.6101169-86.6-7.7000108R282 G286R282-N284 PolarHBondContact O-N 2.86Å; N284-G286 PolarHBondContact O-N 3.33Å; N284-G286 VanDerWaalsContact O-N 3.08Å
285T42.5Very low52Low131 Ų131117 Ų11780%0.80466%0.658SS**  trans-71.5100162.250.10000105.7K283 A287K283-T285 PolarHBondContact O-N 3.06Å; T285-A287 PolarHBondContact O-N 3.23Å
286G30.6Very low49.4Very low76 Ų76123.8 Ų123.878%0.78469%0.69SS**  trans-57.1101.118000000111N284 F288N284-G286 PolarHBondContact O-N 3.33Å; N284-G286 VanDerWaalsContact O-N 3.08Å; G286-F288 PolarHBondContact O-N 3.22Å
287A32.6Very low46.6Very low98 Ų98125.4 Ų125.481%0.8172%0.716SS**  trans-84103.2160.100000107.3T285T285-A287 PolarHBondContact O-N 3.23Å
288F30Very low44.2Very low200 Ų200127.5 Ų127.588%0.87774%0.74SS**  trans-79.3118.3170.1-136.2-88.4000108.4G286G286-F288 PolarHBondContact O-N 3.22Å
289S34.4Very low42Very low101 Ų101131.8 Ų131.871%0.70675%0.748SS**  trans179.493.5152.455.20000108.8
290V31Very low39.8Very low122 Ų122135.6 Ų135.674%0.73978%0.775SS**  61.495.496.8-179.40000112.3
291L32.3Very low38.8Very low176 Ų176130.6 Ų130.692%0.92176%0.758SS**  trans148.4130.7140.4-79.8161000111.4
292G29.8Very low38.1Very low72 Ų72127.1 Ų127.174%0.74275%0.746SS**  trans110.499.1151.300000116.1S294G292-S294 PolarHBondContact O-N 3.36Å
293Q28Very low37.6Very low202 Ų202122.1 Ų122.194%0.94473%0.729SS**  trans-50.9122166.4-64.7164.4-700111.5
294S32.2Very low37.7Very low110 Ų110117.4 Ų117.477%0.76971%0.709SS**  trans-159.1121145.155.40000109.8G292 H296G292-S294 PolarHBondContact O-N 3.36Å; S294-H296 PolarHBondContact O-N 3.02Å; S294-H296 VanDerWaalsContact O-N 3.09Å
295S28.4Very low37.8Very low119 Ų119111.7 Ų111.783%0.83268%0.684SS**  trans-75.386.8174.950.20000109.9
296H37.2Very low38.6Very low185 Ų185106 Ų10686%0.85665%0.649SS**  trans-134.699.8155.9-96.4-42.3000108.7S294 G298S294-H296 PolarHBondContact O-N 3.02Å; S294-H296 VanDerWaalsContact O-N 3.09Å; H296-G298 VanDerWaalsContact C-N 3.25Å; H296-G298 PolarHBondContact O-N 3.14Å
297S30.8Very low39.8Very low128 Ų128106.7 Ų106.790%0.89563%0.634SS**  trans-71.677.8172.257.10000110.1
298G36.2Very low41Very low59 Ų59104.7 Ų104.761%0.60861%0.609SS**PPolyproline II helixtrans-86.8119.2164.900000109.3H296H296-G298 VanDerWaalsContact C-N 3.25Å; H296-G298 PolarHBondContact O-N 3.14Å
299K37.9Very low42.3Very low196 Ų19695.8 Ų95.885%0.85257%0.571SS**PPolyproline II helixtrans-60.3132.7167.6-78.2179.3177.7175.50107.9A301K299-A301 PolarHBondContact O-N 2.99Å
300P38.6Very low43.7Very low116 Ų11698.3 Ų98.375%0.75358%0.577SS**PPolyproline II helixtrans-60.6138175.624.2-31000109.6L302P300-L302 PolarHBondContact O-N 3.04Å
301A51.3Low45.2Very low25 Ų2593 Ų9321%0.20755%0.545CS..PPolyproline II helixtrans-54132.9176.100000110.5K299 N303 H304K299-A301 PolarHBondContact O-N 2.99Å; A301-N303 PolarHBondContact O-N 3.19Å; A301-H304 PolarHBondContact O-N 2.9Å
302L53.5Low46.6Very low74 Ų7489.2 Ų89.239%0.38753%0.53SS..G310 helixtrans-52.7-29.4-175.9-78.7159.6000113.2Q249 P300 H304 A305Q249-L302 HydrophobicContact CB-CD1 4.17Å; Q249-L302 VanDerWaalsContact OE1-CD1 3.3Å; P300-L302 PolarHBondContact O-N 3.04Å; L302-H304 PolarHBondContact O-N 3.14Å; L302-A305 VanDerWaalsContact O-CB 3.32Å; L302-A305 WeakPolarHBondContact O-CB 3.16Å; L302-A305 PolarHBondContact O-N 2.88Å
303N51.7Low48.4Very low20 Ų2090 Ų9011%0.10752%0.517CS..G310 helixtrans-56.7-33.6179.5-54.8-0.7000112.9G253 S254 A301 A305G253-N303 WeakPolarHBondContact CA-OD1 3.43Å; G253-N303 PolarHBondContact O-ND2 3.23Å; G253-N303 PolarHBondContact O-OD1 3.28Å; S254-N303 PolarHBondContact N-OD1 3.47Å; A301-N303 PolarHBondContact O-N 3.19Å; N303-A305 VanDerWaalsContact C-N 3.31Å
304H53.3Low50.2Low95 Ų9582.2 Ų82.244%0.4449%0.485SS..G310 helixtrans-85.2-6.1-179.5-65.4-38.9000113.4R282 A301 L302R282-H304 WeakPolarHBondContact CD-O 3.42Å; A301-H304 PolarHBondContact O-N 2.9Å; L302-H304 PolarHBondContact O-N 3.14Å
305A52.1Low51.5Low40 Ų4080.1 Ų80.133%0.33147%0.47SS..G310 helixtrans-85.3-14.8-176.900000113.5K281 R282 L302 N303K281-A305 CarbonylContact C-O 3.53Å; K281-A305 VanDerWaalsContact CA-O 3.24Å; K281-A305 WeakPolarHBondContact CA-O 3.44Å; R282-A305 PolarHBondContact N-O 2.75Å; L302-A305 VanDerWaalsContact O-CB 3.32Å; L302-A305 WeakPolarHBondContact O-CB 3.16Å; L302-A305 PolarHBondContact O-N 2.88Å; N303-A305 VanDerWaalsContact C-N 3.31Å
306F58Low53Low13 Ų1380.7 Ų80.76%0.05746%0.46CS..EExtended strand (participates in β ladder)trans-131.3152.2-174.5-55.1-88.9000113.7Y250 L279 K280 K281Y250-F306 HydrophobicContact CD2-CB 3.99Å; Y250-F306 AromaticContact CD2-CD2 3.64Å; Y250-F306 HydrophobicContact CD2-CD2 3.64Å; Y250-F306 HydrophobicContact CD2-CG 4.19Å; Y250-F306 HydrophobicContact CE2-CB 3.55Å; Y250-F306 HydrophobicContact CE2-CD2 4.03Å; Y250-F306 HydrophobicContact CE2-CG 4.24Å; Y250-F306 HydrophobicContact CG-CD2 4.36Å; Y250-F306 PolarHBondContact OH-O 3.03Å; L279-F306 HydrophobicContact CB-CB 4.4Å; L279-F306 HydrophobicContact CB-CD1 3.46Å; L279-F306 VanDerWaalsContact CB-CD1 3.46Å; L279-F306 HydrophobicContact CB-CE1 3.79Å; L279-F306 HydrophobicContact CB-CG 4.03Å; L279-F306 HydrophobicContact CD1-CD1 4.43Å; L279-F306 HydrophobicContact CD1-CE1 4.48Å; L279-F306 HydrophobicContact CD1-CG 4.43Å; K280-F306 VanDerWaalsContact O-CA 3.25Å; K280-F306 WeakPolarHBondContact O-CA 3.13Å; K281-F306 HydrophobicContact CB-CD1 4.48Å; K281-F306 HydrophobicContact CB-CE1 4.47Å; K281-F306 HydrophobicContact CD-CE1 4.39Å; K281-F306 HydrophobicContact CG-CD1 3.87Å; K281-F306 HydrophobicContact CG-CE1 3.42Å; K281-F306 VanDerWaalsContact CG-CE1 3.42Å; K281-F306 HydrophobicContact CG-CZ 4.16Å
307L55.6Low54Low90 Ų9076.4 Ų76.447%0.47144%0.44SS..EExtended strand (participates in β ladder)trans-104.2142.6167.8-73164000109.4K280 R282 P309K280-L307 PolarHBondContact O-N 3.15Å; R282-L307 HydrophobicContact CG-CD1 4.11Å; R282-L307 HydrophobicContact CG-CD2 4.33Å; R282-L307 HydrophobicContact CG-CG 3.7Å; L307-P309 VanDerWaalsContact O-CD 3.25Å; L307-P309 WeakPolarHBondContact O-CD 3.48Å
308I59.6Low55.3Low56 Ų5673.6 Ų73.629%0.28742%0.421SS..  trans-67.7115.6167.6-57.6173.1000106.9E268 L272E268-I308 HydrophobicContact CB-CD1 3.7Å; E268-I308 HydrophobicContact CG-CD1 3.53Å; L272-I308 HydrophobicContact CD1-CG1 4.47Å
309P57.4Low56Low12 Ų1274.4 Ų74.48%0.07841%0.414CS..PPolyproline II helixtrans-69.2150.5178.9-11.827.1000110.4P277 P278 K280 L307 C311P277-P309 HydrophobicContact CB-CB 4.45Å; P277-P309 HydrophobicContact CB-CG 4.08Å; P277-P309 HydrophobicContact CG-CG 4.41Å; P278-P309 WeakPolarHBondContact O-CG 3.38Å; K280-P309 HydrophobicContact CG-CG 4.42Å; L307-P309 VanDerWaalsContact O-CD 3.25Å; L307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-C311 PolarHBondContact O-N 3.35Å; P309-C311 VanDerWaalsContact O-N 3.08Å
310D62.5Low56.8Low155 Ų15568.3 Ų68.383%0.82940%0.396SS*.PPolyproline II helixtrans-53.1118.3163.5-64.7-46.4000108.8
311C63.7Low57.7Low11 Ų1166.7 Ų66.77%0.07438%0.377CS..PPolyproline II helixtrans-98.6116-179.2179.20000109.7C271 H275 P309 L313 C314 S315C271-C311 WeakPolarHBondContact SG-CB 3.48Å; C271-C311 PolarHBondContact SG-SG 2.95Å; H275-C311 PolarHBondContact ND1-SG 2.81Å; P309-C311 PolarHBondContact O-N 3.35Å; P309-C311 VanDerWaalsContact O-N 3.08Å; C311-L313 VanDerWaalsContact C-N 3.28Å; C311-L313 PolarHBondContact O-N 3.43Å; C311-C314 HydrophobicContact CB-CB 3.99Å; C311-C314 PolarHBondContact O-N 2.85Å; C311-C314 VanDerWaalsContact O-N 3.07Å; C311-S315 PolarHBondContact O-N 3.34Å; C311-S315 VanDerWaalsContact O-N 3.11Å; C311-S315 PolarHBondContact O-OG 3.08Å
312P60.3Low57.9Low95 Ų9568.5 Ų68.562%0.61739%0.388SS*.Hα-helixtrans-55.6-41.9-178.4-25.333.5000113C314 S315 E316P312-C314 VanDerWaalsContact C-N 3.32Å; P312-C314 PolarHBondContact O-N 3.42Å; P312-S315 WeakPolarHBondContact O-CB 3.21Å; P312-S315 PolarHBondContact O-N 2.92Å; P312-S315 VanDerWaalsContact O-N 3.17Å; P312-E316 PolarHBondContact O-N 3.28Å; P312-E316 VanDerWaalsContact O-N 3.11Å
313L67.4Low57.7Low88 Ų8870.4 Ų70.446%0.46140%0.398SS..Hα-helixtrans-65-34.1179.8-63.8174.3000112.7H275 C311 Q317H275-L313 HydrophobicContact CB-CD1 4.14Å; C311-L313 VanDerWaalsContact C-N 3.28Å; C311-L313 PolarHBondContact O-N 3.43Å; L313-Q317 WeakPolarHBondContact O-CG 3.3Å; L313-Q317 PolarHBondContact O-N 2.87Å
314C66.6Low57.8Low40 Ų4074.2 Ų74.227%0.2742%0.418SS..Hα-helixtrans-71.4-38.4174.6-69.60000111.6C271 H275 C311 P312 Q317 S318C271-C314 VanDerWaalsContact CB-SG 3.59Å; C271-C314 VanDerWaalsContact SG-SG 3.63Å; H275-C314 VanDerWaalsContact CE1-SG 3.51Å; H275-C314 PolarHBondContact ND1-SG 2.99Å; H275-C314 VanDerWaalsContact ND1-SG 3.41Å; C311-C314 HydrophobicContact CB-CB 3.99Å; C311-C314 PolarHBondContact O-N 2.85Å; C311-C314 VanDerWaalsContact O-N 3.07Å; P312-C314 VanDerWaalsContact C-N 3.32Å; P312-C314 PolarHBondContact O-N 3.42Å; C314-Q317 PolarHBondContact O-N 3.18Å; C314-S318 WeakPolarHBondContact O-CB 3.2Å; C314-S318 PolarHBondContact O-N 2.99Å
315S59.6Low58Low66 Ų6677.4 Ų77.446%0.46243%0.43SS..Hα-helixtrans-62-44.4178.1-620000111.6C311 P312 Q317 S318 T319C311-S315 PolarHBondContact O-N 3.34Å; C311-S315 VanDerWaalsContact O-N 3.11Å; C311-S315 PolarHBondContact O-OG 3.08Å; P312-S315 WeakPolarHBondContact O-CB 3.21Å; P312-S315 PolarHBondContact O-N 2.92Å; P312-S315 VanDerWaalsContact O-N 3.17Å; S315-Q317 PolarHBondContact O-N 3.44Å; S315-S318 PolarHBondContact O-N 3.2Å; S315-S318 PolarHBondContact O-OG 3.02Å; S315-T319 PolarHBondContact O-N 3.43Å; S315-T319 PolarHBondContact O-OG1 3.18Å
316E59Low58.1Low131 Ų13178.9 Ų78.961%0.61244%0.438SS*.Hα-helixtrans-62.8-41.2177.9-71.8179-179.700113P312 T319 S320P312-E316 PolarHBondContact O-N 3.28Å; P312-E316 VanDerWaalsContact O-N 3.11Å; E316-T319 WeakPolarHBondContact CA-OG1 3.47Å; E316-T319 PolarHBondContact O-OG1 2.76Å; E316-S320 PolarHBondContact O-N 2.85Å
317Q58.7Low58Low94 Ų9481.6 Ų81.644%0.43946%0.456SS..Hα-helixtrans-69.1-34.6176.9-70.5-17813.200112.5L313 C314 S315 T319 S320 K321L313-Q317 WeakPolarHBondContact O-CG 3.3Å; L313-Q317 PolarHBondContact O-N 2.87Å; C314-Q317 PolarHBondContact O-N 3.18Å; S315-Q317 PolarHBondContact O-N 3.44Å; Q317-T319 VanDerWaalsContact C-N 3.33Å; Q317-T319 PolarHBondContact O-N 3.49Å; Q317-S320 PolarHBondContact O-N 2.91Å; Q317-K321 PolarHBondContact O-N 2.96Å
318S58.1Low57.8Low70 Ų7082.5 Ų82.549%0.4946%0.459SS..Hα-helixtrans-63.9-39178.778.40000111.9C314 S315 K321 S322C314-S318 WeakPolarHBondContact O-CB 3.2Å; C314-S318 PolarHBondContact O-N 2.99Å; S315-S318 PolarHBondContact O-N 3.2Å; S315-S318 PolarHBondContact O-OG 3.02Å; S318-K321 PolarHBondContact O-N 2.95Å; S318-S322 WeakPolarHBondContact O-CB 3.42Å; S318-S322 PolarHBondContact O-N 3.06Å
319T50.9Low57.9Low75 Ų7587.3 Ų87.346%0.4648%0.478SS..Hα-helixtrans-63.4-45.7173.830.30000112S315 E316 Q317 K321 S322 L323S315-T319 PolarHBondContact O-N 3.43Å; S315-T319 PolarHBondContact O-OG1 3.18Å; E316-T319 WeakPolarHBondContact CA-OG1 3.47Å; E316-T319 PolarHBondContact O-OG1 2.76Å; Q317-T319 VanDerWaalsContact C-N 3.33Å; Q317-T319 PolarHBondContact O-N 3.49Å; T319-K321 PolarHBondContact O-N 3.44Å; T319-S322 PolarHBondContact O-N 3.14Å; T319-S322 PolarHBondContact O-OG 3.37Å; T319-L323 VanDerWaalsContact O-CD1 3.26Å; T319-L323 WeakPolarHBondContact O-CD1 3.2Å; T319-L323 PolarHBondContact O-N 3.39Å; T319-L323 VanDerWaalsContact O-N 3.09Å
320S55.7Low58.1Low68 Ų6893 Ų9348%0.47651%0.505SS..Hα-helixtrans-62.1-43.4177.2-177.90000112.3E316 Q317 L323 L324E316-S320 PolarHBondContact O-N 2.85Å; Q317-S320 PolarHBondContact O-N 2.91Å; S320-L323 PolarHBondContact O-N 2.73Å; S320-L324 PolarHBondContact O-N 3.4Å
321K57.5Low58.2Low82 Ų8291.8 Ų91.836%0.35750%0.496SS..Hα-helixtrans-66.8-36.2177.3-78.8-176.1169.91780113.3D120 Q317 S318 T319 L324 K325D120-K321 IonicContact OD1-NZ 2.94Å; D120-K321 PolarHBondContact OD1-NZ 3.35Å; D120-K321 VanDerWaalsContact OD1-NZ 3.13Å; D120-K321 IonicContact OD2-NZ 3.13Å; D120-K321 PolarHBondContact OD2-NZ 3.04Å; Q317-K321 PolarHBondContact O-N 2.96Å; S318-K321 PolarHBondContact O-N 2.95Å; T319-K321 PolarHBondContact O-N 3.44Å; K321-L324 PolarHBondContact O-N 3.29Å; K321-K325 WeakPolarHBondContact O-CB 3.26Å; K321-K325 WeakPolarHBondContact O-CG 3.31Å; K321-K325 PolarHBondContact O-N 3.03Å
322S54.6Low58.1Low63 Ų6397.2 Ų97.244%0.44152%0.52SS..Hα-helixtrans-68.7-38.3177.474.10000111.6S318 T319 S326S318-S322 WeakPolarHBondContact O-CB 3.42Å; S318-S322 PolarHBondContact O-N 3.06Å; T319-S322 PolarHBondContact O-N 3.14Å; T319-S322 PolarHBondContact O-OG 3.37Å; S322-S326 WeakPolarHBondContact O-CB 3.36Å; S322-S326 PolarHBondContact O-N 2.8Å; S322-S326 PolarHBondContact O-OG 3.11Å
323L49Very low58.5Low115 Ų11596 Ų9660%0.60251%0.511SS*.Hα-helixtrans-60.5-50.4170.5-90.4130.7000111.1T319 S320 K325 S326 T327T319-L323 VanDerWaalsContact O-CD1 3.26Å; T319-L323 WeakPolarHBondContact O-CD1 3.2Å; T319-L323 PolarHBondContact O-N 3.39Å; T319-L323 VanDerWaalsContact O-N 3.09Å; S320-L323 PolarHBondContact O-N 2.73Å; L323-K325 PolarHBondContact O-N 3.48Å; L323-S326 PolarHBondContact O-N 2.94Å; L323-T327 PolarHBondContact O-N 2.82Å; L323-T327 PolarHBondContact O-OG1 2.9Å
324L54.3Low58.8Low100 Ų10097.3 Ų97.352%0.52452%0.515SS..Hα-helixtrans-59.3-47.2177.2-84.3155.4000113S320 K321 S326 T327 M328S320-L324 PolarHBondContact O-N 3.4Å; K321-L324 PolarHBondContact O-N 3.29Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.38Å; L324-T327 PolarHBondContact O-N 3.03Å; L324-M328 WeakPolarHBondContact O-CG 3.2Å; L324-M328 PolarHBondContact O-N 3.36Å
325K57Low58.8Low161 Ų16197.6 Ų97.670%0.752%0.52SS*.Hα-helixtrans-60.9-40.1176.1-79.5-173.9177.1-174.10111.7K321 L323 K329K321-K325 WeakPolarHBondContact O-CB 3.26Å; K321-K325 WeakPolarHBondContact O-CG 3.31Å; K321-K325 PolarHBondContact O-N 3.03Å; L323-K325 PolarHBondContact O-N 3.48Å; K325-K329 WeakPolarHBondContact O-CB 3.49Å; K325-K329 PolarHBondContact O-N 3.13Å
326S53.8Low59.1Low71 Ų7196.9 Ų96.950%0.49752%0.518SS..Hα-helixtrans-65.1-43.9177-59.40000111.2S322 L323 L324 K329 M330S322-S326 WeakPolarHBondContact O-CB 3.36Å; S322-S326 PolarHBondContact O-N 2.8Å; S322-S326 PolarHBondContact O-OG 3.11Å; L323-S326 PolarHBondContact O-N 2.94Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.38Å; S326-K329 PolarHBondContact O-N 2.88Å; S326-M330 WeakPolarHBondContact O-CB 3.36Å; S326-M330 PolarHBondContact O-N 2.93Å
327T56.5Low59.8Low71 Ų7196.2 Ų96.244%0.43652%0.516SS..Hα-helixtrans-62.1-47.2175.4-56.50000111.9L323 L324 K329 M330 M331L323-T327 PolarHBondContact O-N 2.82Å; L323-T327 PolarHBondContact O-OG1 2.9Å; L324-T327 PolarHBondContact O-N 3.03Å; T327-K329 VanDerWaalsContact C-N 3.34Å; T327-K329 PolarHBondContact O-N 3.48Å; T327-M330 WeakPolarHBondContact O-CB 3.4Å; T327-M330 PolarHBondContact O-N 3.29Å; T327-M331 HydrophobicContact CG2-SD 4.38Å; T327-M331 WeakPolarHBondContact O-CG 3.29Å; T327-M331 PolarHBondContact O-N 3.09Å
328M52.2Low60.5Low108 Ų10896.1 Ų96.153%0.53252%0.518SS..Hα-helixtrans-62.2-39.7177-72.6-175.975.900112.2L324 M330 M331 H332L324-M328 WeakPolarHBondContact O-CG 3.2Å; L324-M328 PolarHBondContact O-N 3.36Å; M328-M330 VanDerWaalsContact C-N 3.32Å; M328-M331 PolarHBondContact O-N 2.86Å; M328-H332 PolarHBondContact O-N 3.43Å; M328-H332 PolarHBondContact O-ND1 3.32Å
329K61.7Low61.1Low157 Ų15797.5 Ų97.568%0.68352%0.519SS*.Hα-helixtrans-64.3-40.4175.6-164.7174.2-176.7-179.90110.9K325 S326 T327 H332 T333K325-K329 WeakPolarHBondContact O-CB 3.49Å; K325-K329 PolarHBondContact O-N 3.13Å; S326-K329 PolarHBondContact O-N 2.88Å; T327-K329 VanDerWaalsContact C-N 3.34Å; T327-K329 PolarHBondContact O-N 3.48Å; K329-H332 PolarHBondContact O-N 3.4Å; K329-T333 WeakPolarHBondContact O-CB 3.38Å; K329-T333 PolarHBondContact O-N 2.84Å; K329-T333 PolarHBondContact O-OG1 3.48Å
330M61.5Low62.1Low133 Ų13397.7 Ų97.766%0.65552%0.52SS*.Hα-helixtrans-62.3-44.2174.9-144.1-173.2-59.600111.4S326 T327 M328 T333 H334S326-M330 WeakPolarHBondContact O-CB 3.36Å; S326-M330 PolarHBondContact O-N 2.93Å; T327-M330 WeakPolarHBondContact O-CB 3.4Å; T327-M330 PolarHBondContact O-N 3.29Å; M328-M330 VanDerWaalsContact C-N 3.32Å; M330-T333 PolarHBondContact O-N 2.85Å; M330-H334 WeakPolarHBondContact O-CB 3.32Å; M330-H334 PolarHBondContact O-N 3.39Å
331M63.4Low63.2Low128 Ų12897.4 Ų97.463%0.63152%0.518SS*.Hα-helixtrans-63.5-45.8177.1-70.8178.871.500112.8T327 M328 T333 H334 A335T327-M331 HydrophobicContact CG2-SD 4.38Å; T327-M331 WeakPolarHBondContact O-CG 3.29Å; T327-M331 PolarHBondContact O-N 3.09Å; M328-M331 PolarHBondContact O-N 2.86Å; M331-T333 VanDerWaalsContact C-N 3.32Å; M331-T333 PolarHBondContact O-N 3.41Å; M331-H334 PolarHBondContact O-N 2.86Å; M331-A335 WeakPolarHBondContact O-CB 3.03Å; M331-A335 PolarHBondContact O-N 2.78Å
332H62.8Low63.9Low126 Ų12699.9 Ų99.958%0.58353%0.531SS*.Hα-helixtrans-63.3-39.6176-74107.3000111.9M328 K329 H334 A335 A336M328-H332 PolarHBondContact O-N 3.43Å; M328-H332 PolarHBondContact O-ND1 3.32Å; K329-H332 PolarHBondContact O-N 3.4Å; H332-H334 VanDerWaalsContact C-N 3.35Å; H332-A335 PolarHBondContact O-N 3.08Å; H332-A336 WeakPolarHBondContact O-CB 3.42Å; H332-A336 PolarHBondContact O-N 3.04Å
333T68.5Low64.8Low70 Ų70101.1 Ų101.143%0.42953%0.532SS..Hα-helixtrans-66.6-40.3178-44.40000110.4K329 M330 M331 A336 M337K329-T333 WeakPolarHBondContact O-CB 3.38Å; K329-T333 PolarHBondContact O-N 2.84Å; K329-T333 PolarHBondContact O-OG1 3.48Å; M330-T333 PolarHBondContact O-N 2.85Å; M331-T333 VanDerWaalsContact C-N 3.32Å; M331-T333 PolarHBondContact O-N 3.41Å; T333-A336 PolarHBondContact O-N 3.12Å; T333-M337 HydrophobicContact CG2-CE 3.73Å; T333-M337 WeakPolarHBondContact O-CG 2.84Å; T333-M337 PolarHBondContact O-N 3.11Å
334H74.1Confident66Low115 Ų115101 Ų10153%0.53253%0.532SS..Hα-helixtrans-67.1-42.6176-167.9-164.6000112M330 M331 H332 A336 M337 L338M330-H334 WeakPolarHBondContact O-CB 3.32Å; M330-H334 PolarHBondContact O-N 3.39Å; M331-H334 PolarHBondContact O-N 2.86Å; H332-H334 VanDerWaalsContact C-N 3.35Å; H334-A336 PolarHBondContact O-N 2.87Å; H334-M337 PolarHBondContact O-N 3.22Å; H334-L338 WeakPolarHBondContact O-CG 3.34Å; H334-L338 PolarHBondContact O-N 2.91Å
335A66.9Low67.1Low45 Ų45103.8 Ų103.837%0.37254%0.542SS..Hα-helixtrans-61.5-43.5174.200000111.8M331 H332 M337 L338 I339M331-A335 WeakPolarHBondContact O-CB 3.03Å; M331-A335 PolarHBondContact O-N 2.78Å; H332-A335 PolarHBondContact O-N 3.08Å; A335-M337 PolarHBondContact O-N 3.22Å; A335-L338 PolarHBondContact O-N 3.38Å; A335-I339 VanDerWaalsContact O-CG1 3.31Å; A335-I339 WeakPolarHBondContact O-CG1 3.39Å; A335-I339 PolarHBondContact O-N 3Å
336A64.1Low67.8Low52 Ų52103 Ų10343%0.4355%0.545SS..Hα-helixtrans-62-42.417500000112H332 T333 H334 L338 I339 V340H332-A336 WeakPolarHBondContact O-CB 3.42Å; H332-A336 PolarHBondContact O-N 3.04Å; T333-A336 PolarHBondContact O-N 3.12Å; H334-A336 PolarHBondContact O-N 2.87Å; A336-L338 PolarHBondContact O-N 3.44Å; A336-I339 PolarHBondContact O-N 2.94Å; A336-V340 VanDerWaalsContact O-CG2 3.32Å; A336-V340 WeakPolarHBondContact O-CG2 3.36Å; A336-V340 PolarHBondContact O-N 2.92Å
337M74.2Confident67.9Low116 Ų116111.9 Ų111.957%0.57157%0.569SS**Hα-helixtrans-62.7-40175.3-77.2-170-101.900112.5T333 H334 A335 V340 S341T333-M337 HydrophobicContact CG2-CE 3.73Å; T333-M337 WeakPolarHBondContact O-CG 2.84Å; T333-M337 PolarHBondContact O-N 3.11Å; H334-M337 PolarHBondContact O-N 3.22Å; A335-M337 PolarHBondContact O-N 3.22Å; M337-V340 PolarHBondContact O-N 3.46Å; M337-S341 WeakPolarHBondContact O-CB 3.47Å; M337-S341 PolarHBondContact O-N 2.88Å
338L73.5Confident68.5Low92 Ų92113.9 Ų113.948%0.48258%0.576SS.*Hα-helixtrans-65.5-42176-72.5168.4000111.9H334 A335 A336 S341 Q342H334-L338 WeakPolarHBondContact O-CG 3.34Å; H334-L338 PolarHBondContact O-N 2.91Å; A335-L338 PolarHBondContact O-N 3.38Å; A336-L338 PolarHBondContact O-N 3.44Å; L338-S341 PolarHBondContact O-N 3.06Å; L338-Q342 WeakPolarHBondContact O-CG 3.27Å; L338-Q342 PolarHBondContact O-N 3.19Å
339I70.2Confident69.3Low100 Ų100114.2 Ų114.251%0.51358%0.578SS.*Hα-helixtrans-63-46.3176-68165.1000110.5A335 A336 S341 Q342 L343A335-I339 VanDerWaalsContact O-CG1 3.31Å; A335-I339 WeakPolarHBondContact O-CG1 3.39Å; A335-I339 PolarHBondContact O-N 3Å; A336-I339 PolarHBondContact O-N 2.94Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 2.75Å; I339-Q342 PolarHBondContact O-N 3.14Å; I339-L343 HydrophobicContact CG2-CD1 3.82Å; I339-L343 HydrophobicContact CG2-CG 4.33Å; I339-L343 WeakPolarHBondContact O-CB 3.4Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.33Å; I339-L343 PolarHBondContact O-N 3.23Å
340V73.6Confident69.8Low79 Ų79111.8 Ų111.848%0.47957%0.572SS.*Hα-helixtrans-62.5-41.3177.11720000111.2A336 M337 Q342 L343 N344A336-V340 VanDerWaalsContact O-CG2 3.32Å; A336-V340 WeakPolarHBondContact O-CG2 3.36Å; A336-V340 PolarHBondContact O-N 2.92Å; M337-V340 PolarHBondContact O-N 3.46Å; V340-Q342 PolarHBondContact O-N 3.45Å; V340-L343 PolarHBondContact O-N 3.09Å; V340-N344 WeakPolarHBondContact O-CB 3.49Å; V340-N344 VanDerWaalsContact O-CG 3.29Å; V340-N344 PolarHBondContact O-N 3.18Å; V340-N344 PolarHBondContact O-ND2 3.45Å
341S77.4Confident70.2Confident61 Ų61110.6 Ų110.643%0.42757%0.567SS.*Hα-helixtrans-63.4-39.2175.9-174.40000112.4M337 L338 I339 H345M337-S341 WeakPolarHBondContact O-CB 3.47Å; M337-S341 PolarHBondContact O-N 2.88Å; L338-S341 PolarHBondContact O-N 3.06Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 2.75Å; S341-H345 PolarHBondContact O-CD2 2.93Å; S341-H345 PolarHBondContact O-N 3.33Å
342Q73.3Confident70.7Confident135 Ų135109.5 Ų109.563%0.63156%0.563SS**Hα-helixtrans-71.4-38.8177-75-175.1-11.500112.2L338 I339 V340 H345 L346L338-Q342 WeakPolarHBondContact O-CG 3.27Å; L338-Q342 PolarHBondContact O-N 3.19Å; I339-Q342 PolarHBondContact O-N 3.14Å; V340-Q342 PolarHBondContact O-N 3.45Å; Q342-H345 PolarHBondContact O-N 3.06Å; Q342-L346 PolarHBondContact O-N 3.2Å
343L72Confident71.2Confident88 Ų88108.4 Ų108.446%0.46156%0.562SS.*Hα-helixtrans-65.9-37.9175.8-71.2171.4000112I339 V340 H345 L346 Y347I339-L343 HydrophobicContact CG2-CD1 3.82Å; I339-L343 HydrophobicContact CG2-CG 4.33Å; I339-L343 WeakPolarHBondContact O-CB 3.4Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.33Å; I339-L343 PolarHBondContact O-N 3.23Å; V340-L343 PolarHBondContact O-N 3.09Å; L343-H345 PolarHBondContact O-N 2.94Å; L343-L346 PolarHBondContact O-N 3.36Å; L343-L346 VanDerWaalsContact O-N 3.07Å; L343-Y347 PolarHBondContact O-N 3.09Å
344N75.7Confident71.4Confident114 Ų114111.1 Ų111.161%0.6157%0.571SS**THydrogen-bonded Turntrans-69-14.5175.2-74.5-15.4000113.8V340V340-N344 WeakPolarHBondContact O-CB 3.49Å; V340-N344 VanDerWaalsContact O-CG 3.29Å; V340-N344 PolarHBondContact O-N 3.18Å; V340-N344 PolarHBondContact O-ND2 3.45Å
345H76.8Confident71.2Confident157 Ų157110.8 Ų110.873%0.72757%0.574SS**THydrogen-bonded Turntrans-91-9.6171.1-80-60.5000113.2S341 Q342 L343S341-H345 PolarHBondContact O-CD2 2.93Å; S341-H345 PolarHBondContact O-N 3.33Å; Q342-H345 PolarHBondContact O-N 3.06Å; L343-H345 PolarHBondContact O-N 2.94Å
346L71.6Confident71.5Confident145 Ų145116.3 Ų116.376%0.75959%0.591SS**THydrogen-bonded Turntrans-99.5-8.2178.9-70.5168.7000113.3Q342 L343Q342-L346 PolarHBondContact O-N 3.2Å; L343-L346 PolarHBondContact O-N 3.36Å; L343-L346 VanDerWaalsContact O-N 3.07Å
347Y56Low72.2Confident257 Ų257122.2 Ų122.2100%1.00861%0.606SS**  trans-1090167.7-79.1-85.4000109.6L343L343-Y347 PolarHBondContact O-N 3.09Å

Retrieved 347 of 347 residues in 728.3 ms (Link to these results)

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