A0A087XPX8_POEFO Loading...

Erlin-1

AlphaFold DB , UniProt , Accession A0A087XPX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M51.4Low71.4Confident228 Ų228105.7 Ų105.7100%1.12361%0.607SS**  01140-85.7166.4144.600107.9
2T52.9Low72.8Confident86 Ų86104.8 Ų104.853%0.52860%0.604SS.*  trans-68.1134.9-175.4470000110.1P4 H5T2-P4 WeakPolarHBondContact O-CD 3.42Å; T2-H5 PolarHBondContact O-N 3.28Å; T2-H5 PolarHBondContact OG1-CD2 3.42Å; T2-H5 VanDerWaalsContact OG1-CD2 3.26Å
3M60.3Low73.9Confident172 Ų172105.5 Ų105.585%0.84760%0.601SS**Hα-helixtrans-40.4-36.2175.7-78.4-176.815200116.4H5 V6 G7M3-H5 VanDerWaalsContact C-N 3.3Å; M3-H5 PolarHBondContact O-N 3.42Å; M3-V6 PolarHBondContact O-N 3.2Å; M3-G7 PolarHBondContact O-N 3.48Å
4P62.5Low74.9Confident95 Ų95102.6 Ų102.662%0.61760%0.596SS**Hα-helixtrans-58.8-32.117519-35.3000115.2T2 A8T2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-A8 WeakPolarHBondContact O-CB 3.38Å; P4-A8 PolarHBondContact O-N 2.75Å; P4-A8 VanDerWaalsContact O-N 3.12Å
5H66.9Low75.9Confident130 Ų13097.8 Ų97.860%0.60258%0.578SS**Hα-helixtrans-72.9-33.1178.9-76.7-60.6000112.7T2 M3 V9T2-H5 PolarHBondContact O-N 3.28Å; T2-H5 PolarHBondContact OG1-CD2 3.42Å; T2-H5 VanDerWaalsContact OG1-CD2 3.26Å; M3-H5 VanDerWaalsContact C-N 3.3Å; M3-H5 PolarHBondContact O-N 3.42Å; H5-V9 VanDerWaalsContact O-CG2 3.28Å; H5-V9 WeakPolarHBondContact O-CG2 3.27Å; H5-V9 PolarHBondContact O-N 3.32Å; H5-V9 VanDerWaalsContact O-N 3.15Å
6V74.9Confident76.5Confident76 Ų7699.9 Ų99.946%0.46158%0.582SS.*Hα-helixtrans-70.1-43.9177.3-178.50000109.9M3 A8 V9 F10M3-V6 PolarHBondContact O-N 3.2Å; V6-A8 PolarHBondContact O-N 3.49Å; V6-V9 PolarHBondContact O-N 2.81Å; V6-F10 HydrophobicContact CG1-CD2 3.8Å; V6-F10 HydrophobicContact CG1-CE2 3.76Å; V6-F10 VanDerWaalsContact O-CD2 3.32Å; V6-F10 WeakPolarHBondContact O-CD2 3.29Å; V6-F10 PolarHBondContact O-N 3.42Å
7G78.9Confident77.1Confident45 Ų45100.9 Ų100.946%0.46458%0.582SS.*Hα-helixtrans-60.3-41.9175.500000113.4M3 F10 A11M3-G7 PolarHBondContact O-N 3.48Å; G7-F10 PolarHBondContact O-N 2.88Å; G7-A11 WeakPolarHBondContact O-CB 3.12Å; G7-A11 PolarHBondContact O-N 3.31Å
8A81.3Confident77.6Confident52 Ų5298.5 Ų98.543%0.4358%0.576SS.*Hα-helixtrans-63.2-42.9176.200000112.5P4 V6 A11 T12P4-A8 WeakPolarHBondContact O-CB 3.38Å; P4-A8 PolarHBondContact O-N 2.75Å; P4-A8 VanDerWaalsContact O-N 3.12Å; V6-A8 PolarHBondContact O-N 3.49Å; A8-A11 PolarHBondContact O-N 3.39Å; A8-T12 WeakPolarHBondContact O-CG2 3.18Å; A8-T12 PolarHBondContact O-N 2.89Å; A8-T12 PolarHBondContact O-OG1 2.83Å
9V84.4Confident78.1Confident75 Ų7599.2 Ų99.246%0.45558%0.576SS.*Hα-helixtrans-63.9-44.5177.9171.40000111.3H5 V6 A11 T12 M13H5-V9 VanDerWaalsContact O-CG2 3.28Å; H5-V9 WeakPolarHBondContact O-CG2 3.27Å; H5-V9 PolarHBondContact O-N 3.32Å; H5-V9 VanDerWaalsContact O-N 3.15Å; V6-V9 PolarHBondContact O-N 2.81Å; V9-A11 PolarHBondContact O-N 2.78Å; V9-T12 WeakPolarHBondContact CA-OG1 3.44Å; V9-T12 PolarHBondContact O-N 2.62Å; V9-T12 PolarHBondContact O-OG1 2.82Å; V9-M13 HydrophobicContact CG1-CE 3.59Å; V9-M13 PolarHBondContact O-N 3.18Å
10F85.6Confident78.5Confident139 Ų13996.9 Ų96.961%0.6156%0.561SS**Hα-helixtrans-62.5-41.3175.1-87.7-77.4000112.6V6 G7 T12 M13 A14V6-F10 HydrophobicContact CG1-CD2 3.8Å; V6-F10 HydrophobicContact CG1-CE2 3.76Å; V6-F10 VanDerWaalsContact O-CD2 3.32Å; V6-F10 WeakPolarHBondContact O-CD2 3.29Å; V6-F10 PolarHBondContact O-N 3.42Å; G7-F10 PolarHBondContact O-N 2.88Å; F10-T12 VanDerWaalsContact C-N 3.35Å; F10-T12 PolarHBondContact O-N 3.35Å; F10-M13 PolarHBondContact O-N 3.43Å; F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.39Å; F10-A14 PolarHBondContact O-N 3.18Å
11A86.6Confident78.9Confident65 Ų6597.2 Ų97.254%0.53756%0.56SS.*Hα-helixtrans-63-40.9176.500000111.9G7 A8 V9 G15G7-A11 WeakPolarHBondContact O-CB 3.12Å; G7-A11 PolarHBondContact O-N 3.31Å; A8-A11 PolarHBondContact O-N 3.39Å; V9-A11 PolarHBondContact O-N 2.78Å; A11-G15 PolarHBondContact O-N 3.36Å
12T88.1Confident80.5Confident94 Ų9493.8 Ų93.858%0.57754%0.541SS*.Hα-helixtrans-67.2-42.5176.357.50000112.8A8 V9 F10 G15 M16A8-T12 WeakPolarHBondContact O-CG2 3.18Å; A8-T12 PolarHBondContact O-N 2.89Å; A8-T12 PolarHBondContact O-OG1 2.83Å; V9-T12 WeakPolarHBondContact CA-OG1 3.44Å; V9-T12 PolarHBondContact O-N 2.62Å; V9-T12 PolarHBondContact O-OG1 2.82Å; F10-T12 VanDerWaalsContact C-N 3.35Å; F10-T12 PolarHBondContact O-N 3.35Å; T12-G15 PolarHBondContact O-N 3.38Å; T12-M16 WeakPolarHBondContact O-CB 3.4Å; T12-M16 PolarHBondContact O-N 2.82Å
13M87.1Confident82Confident115 Ų11592.5 Ų92.557%0.56754%0.536SS*.Hα-helixtrans-66.4-42.5176.2-80.7-159.3-10100112.3V9 F10 M16 M17V9-M13 HydrophobicContact CG1-CE 3.59Å; V9-M13 PolarHBondContact O-N 3.18Å; F10-M13 PolarHBondContact O-N 3.43Å; M13-M16 PolarHBondContact O-N 3.45Å; M13-M17 WeakPolarHBondContact O-CB 3.27Å; M13-M17 PolarHBondContact O-N 3.27Å
14A88.1Confident83.3Confident64 Ų6485 Ų8553%0.52950%0.5SS..Hα-helixtrans-64.4-41.9176.200000111.6F10 M17 A18F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.39Å; F10-A14 PolarHBondContact O-N 3.18Å; A14-M17 PolarHBondContact O-N 2.83Å; A14-A18 WeakPolarHBondContact O-CB 3.18Å; A14-A18 PolarHBondContact O-N 2.82Å
15G89Confident84.6Confident31 Ų3184.9 Ų84.932%0.3249%0.493SS..Hα-helixtrans-61.9-45.7174.300000112.3A11 T12 M17 A18 I19A11-G15 PolarHBondContact O-N 3.36Å; T12-G15 PolarHBondContact O-N 3.38Å; G15-M17 PolarHBondContact O-N 3.45Å; G15-A18 PolarHBondContact O-N 2.82Å; G15-I19 WeakPolarHBondContact O-CD1 3.41Å; G15-I19 VanDerWaalsContact O-CG1 3.27Å; G15-I19 WeakPolarHBondContact O-CG1 3.36Å; G15-I19 PolarHBondContact O-N 3.33Å
16M86.6Confident85.8Confident131 Ų13179.4 Ų79.465%0.64547%0.468SS*.Hα-helixtrans-63.3-42177-164.9173.4-166.700111.7T12 M13 I19 L20T12-M16 WeakPolarHBondContact O-CB 3.4Å; T12-M16 PolarHBondContact O-N 2.82Å; M13-M16 PolarHBondContact O-N 3.45Å; M16-I19 PolarHBondContact O-N 3.05Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.07Å; M16-L20 PolarHBondContact O-N 3.27Å
17M86.1Confident86.7Confident117 Ų11781.5 Ų81.558%0.57647%0.471SS*.Hα-helixtrans-63.9-42.4175.8-172.664.5122.400112.1M13 A14 G15 I19 L20 L21M13-M17 WeakPolarHBondContact O-CB 3.27Å; M13-M17 PolarHBondContact O-N 3.27Å; A14-M17 PolarHBondContact O-N 2.83Å; G15-M17 PolarHBondContact O-N 3.45Å; M17-I19 VanDerWaalsContact C-N 3.34Å; M17-I19 PolarHBondContact O-N 3.04Å; M17-L20 PolarHBondContact O-N 2.92Å; M17-L21 HydrophobicContact CG-CD1 4.2Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 3.32Å
18A87Confident87.4Confident58 Ų5879.6 Ų79.648%0.47945%0.45SS..Hα-helixtrans-62.9-40.5176.700000112A14 G15 L21 H22A14-A18 WeakPolarHBondContact O-CB 3.18Å; A14-A18 PolarHBondContact O-N 2.82Å; G15-A18 PolarHBondContact O-N 2.82Å; A18-L21 PolarHBondContact O-N 3.3Å; A18-H22 WeakPolarHBondContact O-CB 3.3Å; A18-H22 PolarHBondContact O-N 3.18Å
19I86.9Confident88Confident112 Ų11283 Ų8357%0.57446%0.457SS*.Hα-helixtrans-63.2-46.5174.8-67.9164.2000110.4G15 M16 M17 L21 H22 S23G15-I19 WeakPolarHBondContact O-CD1 3.41Å; G15-I19 VanDerWaalsContact O-CG1 3.27Å; G15-I19 WeakPolarHBondContact O-CG1 3.36Å; G15-I19 PolarHBondContact O-N 3.33Å; M16-I19 PolarHBondContact O-N 3.05Å; M17-I19 VanDerWaalsContact C-N 3.34Å; M17-I19 PolarHBondContact O-N 3.04Å; I19-L21 PolarHBondContact O-N 3.28Å; I19-H22 PolarHBondContact O-N 2.66Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.86Å; I19-S23 PolarHBondContact O-OG 3.43Å; I19-S23 VanDerWaalsContact O-OG 3.12Å
20L85.5Confident88.4Confident52 Ų5286.8 Ų86.827%0.27247%0.47SS..Hα-helixtrans-60.4-44.6178.2-70.3171.7000111.9M16 M17 S23 S24 P56 F57M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.07Å; M16-L20 PolarHBondContact O-N 3.27Å; M17-L20 PolarHBondContact O-N 2.92Å; L20-S23 PolarHBondContact O-N 2.88Å; L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 2.96Å; L20-S24 PolarHBondContact O-OG 3.37Å; L20-P56 HydrophobicContact CD2-CB 4.37Å; L20-P56 HydrophobicContact CD2-CG 3.93Å; L20-F57 HydrophobicContact CD2-CE2 3.61Å; L20-F57 HydrophobicContact CD2-CZ 4.29Å
21L85.8Confident88.7Confident105 Ų10581 Ų8155%0.5545%0.45SS..Hα-helixtrans-64.1-41.8177.4-72.3171000111.9M17 A18 I19 S24 I25M17-L21 HydrophobicContact CG-CD1 4.2Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.3Å; I19-L21 PolarHBondContact O-N 3.28Å; L21-S24 WeakPolarHBondContact O-CB 3.47Å; L21-S24 PolarHBondContact O-N 2.91Å; L21-I25 PolarHBondContact O-N 2.78Å
22H85.7Confident89.1Confident155 Ų15579.7 Ų79.772%0.71843%0.432SS*.Hα-helixtrans-63.3-43.6176.2-17666.3000111.7A18 I19 S24 I25A18-H22 WeakPolarHBondContact O-CB 3.3Å; A18-H22 PolarHBondContact O-N 3.18Å; I19-H22 PolarHBondContact O-N 2.66Å; H22-S24 PolarHBondContact O-N 3.35Å; H22-I25 PolarHBondContact O-N 3.43Å
23S84Confident89.4Confident60 Ų6076.3 Ų76.342%0.4241%0.411SS..Hα-helixtrans-71.6-15.8176.2-58.70000114I19 L20 M54I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.86Å; I19-S23 PolarHBondContact O-OG 3.43Å; I19-S23 VanDerWaalsContact O-OG 3.12Å; L20-S23 PolarHBondContact O-N 2.88Å; S23-M54 WeakPolarHBondContact O-CE 3.27Å
24S87.9Confident89.7Confident15 Ų1570.9 Ų70.911%0.10538%0.384CS..Hα-helixtrans-81-26.3178.6-59.30000112.4L20 L21 H22 I53 M54 P56L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 2.96Å; L20-S24 PolarHBondContact O-OG 3.37Å; L21-S24 WeakPolarHBondContact O-CB 3.47Å; L21-S24 PolarHBondContact O-N 2.91Å; H22-S24 PolarHBondContact O-N 3.35Å; S24-I53 CarbonylContact O-C 3.53Å; S24-I53 WeakPolarHBondContact O-CA 3.34Å; S24-M54 VanDerWaalsContact CA-O 3.27Å; S24-M54 WeakPolarHBondContact CA-O 3.48Å; S24-M54 WeakPolarHBondContact CB-O 3.28Å; S24-M54 WeakPolarHBondContact O-CG 3.35Å; S24-M54 PolarHBondContact O-N 3.46Å; S24-P56 WeakPolarHBondContact OG-CD 3.33Å
25I90.8Very high90Very high92 Ų9267.8 Ų67.847%0.47236%0.359SS..EExtended strand (participates in β ladder)trans-96.5129.2-176.6-59.7169.8000108.9L21 H22 Y51 I53L21-I25 PolarHBondContact O-N 2.78Å; H22-I25 PolarHBondContact O-N 3.43Å; I25-Y51 HydrophobicContact CG2-CD1 3.89Å; I25-I53 HydrophobicContact CG1-CG1 4.44Å
26H91.4Very high90.2Very high14 Ų1466.9 Ų66.97%0.06535%0.345CS..EExtended strand (participates in β ladder)trans-134.6161.6170.269.4-71.6000110.4Y36 Y51 H52 M54 Y61H26-Y36 AromaticContact CE1-CE1 3.66Å; H26-Y36 AromaticContact CE1-CZ 3.7Å; H26-Y36 PolarHBondContact CE1-OH 2.87Å; H26-Y36 AromaticContact NE2-CZ 3.72Å; H26-Y36 PolarHBondContact NE2-OH 2.88Å; H26-Y51 WeakPolarHBondContact O-CA 3.42Å; H26-H52 PolarHBondContact N-O 3.35Å; H26-H52 PolarHBondContact ND1-O 3.29Å; H26-H52 VanDerWaalsContact ND1-O 3.16Å; H26-H52 PolarHBondContact O-N 2.92Å; H26-M54 HydrophobicContact CB-CE 4.43Å; H26-Y61 HydrophobicContact CB-CE1 3.88Å; H26-Y61 AromaticContact CD2-CD1 3.79Å; H26-Y61 AromaticContact CD2-CD2 3.78Å; H26-Y61 AromaticContact CD2-CE1 3.48Å; H26-Y61 VanDerWaalsContact CD2-CE1 3.48Å; H26-Y61 WeakPolarHBondContact CD2-CE1 3.34Å; H26-Y61 AromaticContact CD2-CE2 3.48Å; H26-Y61 VanDerWaalsContact CD2-CE2 3.48Å; H26-Y61 WeakPolarHBondContact CD2-CE2 3.46Å; H26-Y61 AromaticContact CD2-CG 3.93Å; H26-Y61 AromaticContact CD2-CZ 3.31Å; H26-Y61 AromaticContact CG-CE1 3.57Å; H26-Y61 AromaticContact CG-CZ 3.74Å; H26-Y61 AromaticContact NE2-CD1 3.91Å; H26-Y61 AromaticContact NE2-CD2 3.86Å; H26-Y61 AromaticContact NE2-CG 3.78Å
27K93.5Very high90.6Very high120 Ų12062.6 Ų62.652%0.52232%0.323SS..EExtended strand (participates in β ladder)trans-111.4134.2179.8-176.9-172.7172.8-164.60109.3Y51K27-Y51 HydrophobicContact CB-CD1 4.1Å; K27-Y51 HydrophobicContact CB-CE1 3.86Å; K27-Y51 HydrophobicContact CD-CE1 4.45Å; K27-Y51 HydrophobicContact CG-CE1 4.22Å
28I94.7Very high90.9Very high5 Ų564.2 Ų64.23%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-103.8128.4169.3-55.8168.1000107.4H32 A34 N47 G48 G50 H52I28-H32 HydrophobicContact CG2-CB 4.07Å; I28-A34 HydrophobicContact CD1-CB 3.2Å; I28-A34 HydrophobicContact CG1-CB 3.85Å; I28-N47 HydrophobicContact CD1-CB 4.35Å; I28-G48 WeakPolarHBondContact CD1-O 3.45Å; I28-G50 PolarHBondContact N-O 2.91Å; I28-G50 PolarHBondContact O-N 3.29Å; I28-G50 VanDerWaalsContact O-N 3.08Å; I28-H52 WeakPolarHBondContact CD1-CD2 3.3Å
29E93.6Very high91.1Very high124 Ų12464.8 Ų64.858%0.57933%0.334SS*.PPolyproline II helixtrans-74.7154.5178.2-58.9-165.6157.100111.7H32E29-H32 WeakPolarHBondContact O-CB 3.44Å; E29-H32 PolarHBondContact O-N 2.82Å
30E93Very high91Very high154 Ų15462.7 Ų62.772%0.7234%0.34SS*.THydrogen-bonded Turntrans-56.4145.8172.1-72-63.7158.200110.8H32 P49E30-H32 PolarHBondContact O-N 3.32Å; E30-H32 PolarHBondContact O-ND1 2.82Å; E30-P49 HydrophobicContact CG-CB 4.41Å; E30-P49 VanDerWaalsContact OE2-CG 3.29Å; E30-P49 WeakPolarHBondContact OE2-CG 3.31Å
31G91.6Very high91.3Very high19 Ų1963.3 Ų63.320%0.19635%0.352CS..THydrogen-bonded Turntrans77.50.1-176.600000115.8T66 T67G31-T66 PolarHBondContact O-N 3.17Å; G31-T66 PolarHBondContact O-OG1 3.42Å; G31-T66 VanDerWaalsContact O-OG1 3.14Å; G31-T67 VanDerWaalsContact CA-CG2 3.42Å; G31-T67 PolarHBondContact O-N 3.09Å
32H94.4Very high91.6Very high36 Ų3660 Ų6017%0.16734%0.335CS..EExtended strand (participates in β ladder)trans-114.6146.5175.2-62.973.7000111.6I28 E29 E30 V64I28-H32 HydrophobicContact CG2-CB 4.07Å; E29-H32 WeakPolarHBondContact O-CB 3.44Å; E29-H32 PolarHBondContact O-N 2.82Å; E30-H32 PolarHBondContact O-N 3.32Å; E30-H32 PolarHBondContact O-ND1 2.82Å; H32-V64 CarbonylContact C-O 3.59Å; H32-V64 VanDerWaalsContact CA-O 3.31Å; H32-V64 WeakPolarHBondContact CA-O 3.36Å
33L94.1Very high92Very high24 Ų2456 Ų5613%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-111.3135.4167.3-89.270.4000108.8P46 V64 T66 P99 V102L33-P46 HydrophobicContact CD2-CB 4.04Å; L33-P46 HydrophobicContact CD2-CG 4.05Å; L33-V64 PolarHBondContact N-O 3.14Å; L33-V64 PolarHBondContact O-N 3.27Å; L33-T66 HydrophobicContact CB-CG2 4.41Å; L33-T66 HydrophobicContact CD1-CG2 3.79Å; L33-T66 WeakPolarHBondContact CD1-OG1 3.29Å; L33-T66 HydrophobicContact CG-CG2 4.45Å; L33-P99 HydrophobicContact CD1-CB 4.38Å; L33-P99 HydrophobicContact CD2-CB 3.89Å; L33-V102 HydrophobicContact CD2-CG2 4.3Å
34A94.2Very high92.2Very high0 Ų058.5 Ų58.50%033%0.332CS..EExtended strand (participates in β ladder)trans-94.7133.7172.300000111.6I28 Y36 P46 N47 Y61 R62I28-A34 HydrophobicContact CD1-CB 3.2Å; I28-A34 HydrophobicContact CG1-CB 3.85Å; A34-Y36 HydrophobicContact CB-CD2 4.45Å; A34-Y36 HydrophobicContact CB-CE2 3.71Å; A34-P46 WeakPolarHBondContact O-CA 3.35Å; A34-N47 PolarHBondContact N-O 2.88Å; A34-N47 PolarHBondContact O-N 3.5Å; A34-Y61 HydrophobicContact CB-CD2 4.24Å; A34-R62 WeakPolarHBondContact CA-O 3.38Å
35V94.6Very high92.2Very high0 Ų061.4 Ų61.40%035%0.352CS..EExtended strand (participates in β ladder)trans-109.1131171-130.10000108.6L42 Y61 R62 V64 V102 V103 V106V35-L42 HydrophobicContact CB-CD1 3.98Å; V35-L42 HydrophobicContact CG1-CD1 3.54Å; V35-L42 HydrophobicContact CG1-CG 4.27Å; V35-Y61 CarbonylContact O-C 3.55Å; V35-Y61 WeakPolarHBondContact O-CA 3.3Å; V35-R62 PolarHBondContact N-O 3.39Å; V35-R62 PolarHBondContact O-N 3.14Å; V35-V64 HydrophobicContact CG2-CG2 3.84Å; V35-V102 HydrophobicContact CG2-CG1 4.01Å; V35-V103 HydrophobicContact CG1-CG2 4.26Å; V35-V106 HydrophobicContact CG2-CG1 4.39Å; V35-V106 HydrophobicContact CG2-CG2 4.18Å
36Y93.6Very high92.3Very high11 Ų1158.9 Ų58.94%0.04334%0.341CS..EExtended strand (participates in β ladder)trans-104.8141.7-173.1-69.7-104000110.5H26 A34 L43 N47 H52 M54H26-Y36 AromaticContact CE1-CE1 3.66Å; H26-Y36 AromaticContact CE1-CZ 3.7Å; H26-Y36 PolarHBondContact CE1-OH 2.87Å; H26-Y36 AromaticContact NE2-CZ 3.72Å; H26-Y36 PolarHBondContact NE2-OH 2.88Å; A34-Y36 HydrophobicContact CB-CD2 4.45Å; A34-Y36 HydrophobicContact CB-CE2 3.71Å; Y36-L43 WeakPolarHBondContact O-CD1 3.41Å; Y36-L43 PolarHBondContact O-N 3.41Å; Y36-N47 HydrophobicContact CE2-CB 3.83Å; Y36-N47 WeakPolarHBondContact CE2-ND2 3.29Å; Y36-N47 PolarHBondContact OH-ND2 3.37Å; Y36-H52 WeakPolarHBondContact OH-CB 3.37Å; Y36-M54 HydrophobicContact CE1-CB 4.29Å
37Y93.8Very high92.4Very high42 Ų4260.8 Ų60.817%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-114.5127.6171.1-59.3-97.7000107.9A41 L42 T59 T60 R62 V106Y37-A41 CarbonylContact C-O 3.51Å; Y37-A41 VanDerWaalsContact CA-O 3.24Å; Y37-A41 WeakPolarHBondContact CA-O 3.46Å; Y37-L42 HydrophobicContact CD1-CB 4.28Å; Y37-L42 HydrophobicContact CD1-CD1 4.04Å; Y37-L42 HydrophobicContact CD2-CD1 4.44Å; Y37-L42 HydrophobicContact CE1-CB 4.17Å; Y37-L42 HydrophobicContact CE1-CD1 3.6Å; Y37-L42 HydrophobicContact CE1-CG 4.48Å; Y37-L42 HydrophobicContact CE2-CD1 4.02Å; Y37-L42 HydrophobicContact CG-CD1 4.45Å; Y37-T59 CarbonylContact O-C 3.57Å; Y37-T59 WeakPolarHBondContact O-CA 3.29Å; Y37-T60 PolarHBondContact N-O 3.34Å; Y37-T60 PolarHBondContact O-N 3.4Å; Y37-R62 HydrophobicContact CE2-CB 4.31Å; Y37-R62 HydrophobicContact CE2-CG 3.86Å; Y37-V106 WeakPolarHBondContact OH-CG1 3.25Å
38R93.4Very high92.3Very high150 Ų15056.5 Ų56.557%0.56634%0.342SS*.EExtended strand (participates in β ladder)trans-117113.6175.6-177.3175.6175.9169.1-1.7108.8G40 A41 L43 I58 T59R38-G40 PolarHBondContact O-N 2.71Å; R38-A41 PolarHBondContact N-O 2.87Å; R38-A41 PolarHBondContact O-N 3.36Å; R38-A41 VanDerWaalsContact O-N 3.09Å; R38-L43 HydrophobicContact CB-CD1 3.57Å; R38-I58 HydrophobicContact CG-CG2 3.93Å; R38-T59 HydrophobicContact CB-CG2 3.97Å; R38-T59 HydrophobicContact CG-CG2 3.91Å
39G89.9Confident92.3Very high71 Ų7158.8 Ų58.873%0.73236%0.357SS*.THydrogen-bonded Turntrans56.630.2-174.400000113.2I58G39-I58 PolarHBondContact N-O 2.87Å
40G85.8Confident92.4Very high68 Ų6854.2 Ų54.270%0.70134%0.344SS*.THydrogen-bonded Turntrans90.4-12.7-177.500000115.8R38R38-G40 PolarHBondContact O-N 2.71Å
41A91.3Very high92.3Very high64 Ų6455.1 Ų55.153%0.52934%0.342SS..EExtended strand (participates in β ladder)trans-88.9132177.500000111.7Y37 R38Y37-A41 CarbonylContact C-O 3.51Å; Y37-A41 VanDerWaalsContact CA-O 3.24Å; Y37-A41 WeakPolarHBondContact CA-O 3.46Å; R38-A41 PolarHBondContact N-O 2.87Å; R38-A41 PolarHBondContact O-N 3.36Å; R38-A41 VanDerWaalsContact O-N 3.09Å
42L93.6Very high92.4Very high36 Ų3656.4 Ų56.419%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-70.9127.6176.9-172.870.7000111V35 Y37 V103 V106 R107V35-L42 HydrophobicContact CB-CD1 3.98Å; V35-L42 HydrophobicContact CG1-CD1 3.54Å; V35-L42 HydrophobicContact CG1-CG 4.27Å; Y37-L42 HydrophobicContact CD1-CB 4.28Å; Y37-L42 HydrophobicContact CD1-CD1 4.04Å; Y37-L42 HydrophobicContact CD2-CD1 4.44Å; Y37-L42 HydrophobicContact CE1-CB 4.17Å; Y37-L42 HydrophobicContact CE1-CD1 3.6Å; Y37-L42 HydrophobicContact CE1-CG 4.48Å; Y37-L42 HydrophobicContact CE2-CD1 4.02Å; Y37-L42 HydrophobicContact CG-CD1 4.45Å; L42-V103 HydrophobicContact CD2-CG1 4.19Å; L42-V106 HydrophobicContact CD1-CG1 4.02Å; L42-V106 HydrophobicContact CD2-CB 4.48Å; L42-V106 HydrophobicContact CD2-CG1 4.15Å; L42-R107 HydrophobicContact CD2-CB 3.88Å
43L92.5Very high92.2Very high71 Ų7161.4 Ų61.437%0.37237%0.369SS..PPolyproline II helixtrans-73.8146.5173.2-84.673.5000110.7Y36 R38Y36-L43 WeakPolarHBondContact O-CD1 3.41Å; Y36-L43 PolarHBondContact O-N 3.41Å; R38-L43 HydrophobicContact CB-CD1 3.57Å
44T88.4Confident92Very high113 Ų11361.9 Ų61.969%0.69337%0.371SS*.SBendtrans-77.4-25.6-174.849.20000114.1
45S88.9Confident91.7Very high75 Ų7566.2 Ų66.252%0.52439%0.394SS..SBendtrans-100.7121.6178.8-170.70000110
46P92.3Very high91.2Very high39 Ų3967.8 Ų67.825%0.25340%0.404SS..  trans-75.9153.9167.433.2-29.5000109.6L33 A34 V103L33-P46 HydrophobicContact CD2-CB 4.04Å; L33-P46 HydrophobicContact CD2-CG 4.05Å; A34-P46 WeakPolarHBondContact O-CA 3.35Å; P46-V103 HydrophobicContact CB-CG2 4.12Å; P46-V103 HydrophobicContact CG-CG2 3.88Å
47N92.9Very high90.7Very high54 Ų5476.4 Ų76.429%0.28944%0.442SS..BIsolated β-bridgetrans-105.6139.5171.5-66-29.7000110.2I28 A34 Y36I28-N47 HydrophobicContact CD1-CB 4.35Å; A34-N47 PolarHBondContact N-O 2.88Å; A34-N47 PolarHBondContact O-N 3.5Å; Y36-N47 HydrophobicContact CE2-CB 3.83Å; Y36-N47 WeakPolarHBondContact CE2-ND2 3.29Å; Y36-N47 PolarHBondContact OH-ND2 3.37Å
48G92.7Very high90.5Very high31 Ų3179 Ų7932%0.3246%0.457SS..  trans-77.5-174.7175.800000113.6I28 H52I28-G48 WeakPolarHBondContact CD1-O 3.45Å; G48-H52 PolarHBondContact O-NE2 2.93Å
49P94.3Very high90.4Very high53 Ų5372.6 Ų72.634%0.34444%0.435SS..SBendtrans-62154.2-177.726.3-34.7000112.8E30E30-P49 HydrophobicContact CG-CB 4.41Å; E30-P49 VanDerWaalsContact OE2-CG 3.29Å; E30-P49 WeakPolarHBondContact OE2-CG 3.31Å
50G94.2Very high90.5Very high28 Ų2873.2 Ų73.229%0.28943%0.425SS..EExtended strand (participates in β ladder)trans124.1-169.9-179.400000114.4I28 H52I28-G50 PolarHBondContact N-O 2.91Å; I28-G50 PolarHBondContact O-N 3.29Å; I28-G50 VanDerWaalsContact O-N 3.08Å; G50-H52 PolarHBondContact O-CD2 2.87Å
51Y92.8Very high90.8Very high173 Ų17373.5 Ų73.568%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-88.4127.4177.1-73.2-80.7000110.8I25 H26 K27I25-Y51 HydrophobicContact CG2-CD1 3.89Å; H26-Y51 WeakPolarHBondContact O-CA 3.42Å; K27-Y51 HydrophobicContact CB-CD1 4.1Å; K27-Y51 HydrophobicContact CB-CE1 3.86Å; K27-Y51 HydrophobicContact CD-CE1 4.45Å; K27-Y51 HydrophobicContact CG-CE1 4.22Å
52H92.4Very high90.9Very high46 Ų4677.7 Ų77.721%0.21341%0.407CS..EExtended strand (participates in β ladder)trans-128.6148.9178.8-66-87.5000110.9H26 I28 Y36 G48 G50H26-H52 PolarHBondContact N-O 3.35Å; H26-H52 PolarHBondContact ND1-O 3.29Å; H26-H52 VanDerWaalsContact ND1-O 3.16Å; H26-H52 PolarHBondContact O-N 2.92Å; I28-H52 WeakPolarHBondContact CD1-CD2 3.3Å; Y36-H52 WeakPolarHBondContact OH-CB 3.37Å; G48-H52 PolarHBondContact O-NE2 2.93Å; G50-H52 PolarHBondContact O-CD2 2.87Å
53I90Very high90.9Very high140 Ų14079.4 Ų79.472%0.71842%0.422SS*.EExtended strand (participates in β ladder)trans-101.8125.3179.7-55.3176.5000108.2S24 I25S24-I53 CarbonylContact O-C 3.53Å; S24-I53 WeakPolarHBondContact O-CA 3.34Å; I25-I53 HydrophobicContact CG1-CG1 4.44Å
54M89.9Confident90.9Very high35 Ų3576.3 Ų76.317%0.17241%0.407CS..  trans-116.7151.6173.870172.6168.200110.2S23 S24 H26 Y36 P56 T59 Y61S23-M54 WeakPolarHBondContact O-CE 3.27Å; S24-M54 VanDerWaalsContact CA-O 3.27Å; S24-M54 WeakPolarHBondContact CA-O 3.48Å; S24-M54 WeakPolarHBondContact CB-O 3.28Å; S24-M54 WeakPolarHBondContact O-CG 3.35Å; S24-M54 PolarHBondContact O-N 3.46Å; H26-M54 HydrophobicContact CB-CE 4.43Å; Y36-M54 HydrophobicContact CE1-CB 4.29Å; M54-P56 WeakPolarHBondContact O-CD 3.48Å; M54-T59 WeakPolarHBondContact CB-OG1 3.43Å; M54-Y61 HydrophobicContact CE-CD1 4.12Å; M54-Y61 HydrophobicContact CE-CE1 3.9Å; M54-Y61 HydrophobicContact SD-CD1 3.6Å; M54-Y61 VanDerWaalsContact SD-CD1 3.6Å; M54-Y61 HydrophobicContact SD-CE1 4.01Å
55L88Confident91.2Very high91 Ų9173.7 Ų73.748%0.47639%0.386SS..  trans-80.4118.9174.8-67170.8000109.3T59L55-T59 WeakPolarHBondContact CA-OG1 3.35Å; L55-T59 HydrophobicContact CB-CG2 4.3Å; L55-T59 PolarHBondContact N-OG1 3.4Å; L55-T59 PolarHBondContact O-N 3.03Å; L55-T59 VanDerWaalsContact O-N 3.09Å; L55-T59 PolarHBondContact O-OG1 2.83Å
56P84Confident91.3Very high32 Ų3271 Ų7121%0.20837%0.366CS..THydrogen-bonded Turntrans-60.2147.4179.125-31.8000109.7L20 S24 M54 I58L20-P56 HydrophobicContact CD2-CB 4.37Å; L20-P56 HydrophobicContact CD2-CG 3.93Å; S24-P56 WeakPolarHBondContact OG-CD 3.33Å; M54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-I58 PolarHBondContact O-N 3.28Å
57F84.3Confident91.4Very high193 Ų19371.9 Ų71.985%0.84637%0.372SS*.THydrogen-bonded Turntrans69.5-31.1-178.3-46.1-75.6000117.5L20L20-F57 HydrophobicContact CD2-CE2 3.61Å; L20-F57 HydrophobicContact CD2-CZ 4.29Å
58I89.3Confident91.5Very high95 Ų9574.4 Ų74.449%0.48738%0.384SS..THydrogen-bonded Turntrans-97.8-37.8-175.8-59.3171.7000111.5R38 G39 P56R38-I58 HydrophobicContact CG-CG2 3.93Å; G39-I58 PolarHBondContact N-O 2.87Å; P56-I58 PolarHBondContact O-N 3.28Å
59T90.8Very high91.5Very high17 Ų1774.6 Ų74.610%0.10438%0.377CS..EExtended strand (participates in β ladder)trans-109.6134.3-17856.10000111.8Y37 R38 M54 L55Y37-T59 CarbonylContact O-C 3.57Å; Y37-T59 WeakPolarHBondContact O-CA 3.29Å; R38-T59 HydrophobicContact CB-CG2 3.97Å; R38-T59 HydrophobicContact CG-CG2 3.91Å; M54-T59 WeakPolarHBondContact CB-OG1 3.43Å; L55-T59 WeakPolarHBondContact CA-OG1 3.35Å; L55-T59 HydrophobicContact CB-CG2 4.3Å; L55-T59 PolarHBondContact N-OG1 3.4Å; L55-T59 PolarHBondContact O-N 3.03Å; L55-T59 VanDerWaalsContact O-N 3.09Å; L55-T59 PolarHBondContact O-OG1 2.83Å
60T91.1Very high91.5Very high84 Ų8476.1 Ų76.152%0.51539%0.385SS..EExtended strand (participates in β ladder)trans-123.6146.6170.857.10000108.6Y37Y37-T60 PolarHBondContact N-O 3.34Å; Y37-T60 PolarHBondContact O-N 3.4Å
61Y92.5Very high91.4Very high74 Ų7475.2 Ų75.229%0.2937%0.374SS..EExtended strand (participates in β ladder)trans-118.8156.1176.775.7-80000111H26 A34 V35 M54H26-Y61 HydrophobicContact CB-CE1 3.88Å; H26-Y61 AromaticContact CD2-CD1 3.79Å; H26-Y61 AromaticContact CD2-CD2 3.78Å; H26-Y61 AromaticContact CD2-CE1 3.48Å; H26-Y61 VanDerWaalsContact CD2-CE1 3.48Å; H26-Y61 WeakPolarHBondContact CD2-CE1 3.34Å; H26-Y61 AromaticContact CD2-CE2 3.48Å; H26-Y61 VanDerWaalsContact CD2-CE2 3.48Å; H26-Y61 WeakPolarHBondContact CD2-CE2 3.46Å; H26-Y61 AromaticContact CD2-CG 3.93Å; H26-Y61 AromaticContact CD2-CZ 3.31Å; H26-Y61 AromaticContact CG-CE1 3.57Å; H26-Y61 AromaticContact CG-CZ 3.74Å; H26-Y61 AromaticContact NE2-CD1 3.91Å; H26-Y61 AromaticContact NE2-CD2 3.86Å; H26-Y61 AromaticContact NE2-CG 3.78Å; A34-Y61 HydrophobicContact CB-CD2 4.24Å; V35-Y61 CarbonylContact O-C 3.55Å; V35-Y61 WeakPolarHBondContact O-CA 3.3Å; M54-Y61 HydrophobicContact CE-CD1 4.12Å; M54-Y61 HydrophobicContact CE-CE1 3.9Å; M54-Y61 HydrophobicContact SD-CD1 3.6Å; M54-Y61 VanDerWaalsContact SD-CD1 3.6Å; M54-Y61 HydrophobicContact SD-CE1 4.01Å
62R93.4Very high91.5Very high151 Ų15170.5 Ų70.557%0.5736%0.358SS*.EExtended strand (participates in β ladder)trans-127.8128.3168-66.8-65.2-174.3170.71.8108.2A34 V35 Y37 A111A34-R62 WeakPolarHBondContact CA-O 3.38Å; V35-R62 PolarHBondContact N-O 3.39Å; V35-R62 PolarHBondContact O-N 3.14Å; Y37-R62 HydrophobicContact CE2-CB 4.31Å; Y37-R62 HydrophobicContact CE2-CG 3.86Å; R62-A111 HydrophobicContact CB-CB 3.97Å; R62-A111 HydrophobicContact CG-CB 3.98Å
63S93.3Very high91.6Very high72 Ų7268.8 Ų68.850%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-85.1122.417350.70000109.3
64V94.2Very high91.8Very high7 Ų767.7 Ų67.74%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-109.3128.4175.1178.20000108.2H32 L33 V35 L97 V102 V106 Y113H32-V64 CarbonylContact C-O 3.59Å; H32-V64 VanDerWaalsContact CA-O 3.31Å; H32-V64 WeakPolarHBondContact CA-O 3.36Å; L33-V64 PolarHBondContact N-O 3.14Å; L33-V64 PolarHBondContact O-N 3.27Å; V35-V64 HydrophobicContact CG2-CG2 3.84Å; V64-L97 HydrophobicContact CG1-CD2 3.74Å; V64-V102 HydrophobicContact CB-CG1 4.1Å; V64-V102 HydrophobicContact CG1-CG1 4.17Å; V64-V102 HydrophobicContact CG2-CG1 4.35Å; V64-V106 HydrophobicContact CG2-CG2 3.95Å; V64-Y113 HydrophobicContact CG1-CE1 3.9Å
65Q93.6Very high91.9Very high57 Ų5770.8 Ų70.827%0.26636%0.358SS..EExtended strand (participates in β ladder)trans-78.1131.7178.5-169.3171.26.800109.9T67Q65-T67 WeakPolarHBondContact CG-OG1 3.39Å; Q65-T67 PolarHBondContact NE2-OG1 2.87Å
66T92.3Very high92.3Very high18 Ų1866.5 Ų66.511%0.1134%0.335CS..  trans-113.5-5.9177.954.30000113.5G31 L33 L97 P99 V102G31-T66 PolarHBondContact O-N 3.17Å; G31-T66 PolarHBondContact O-OG1 3.42Å; G31-T66 VanDerWaalsContact O-OG1 3.14Å; L33-T66 HydrophobicContact CB-CG2 4.41Å; L33-T66 HydrophobicContact CD1-CG2 3.79Å; L33-T66 WeakPolarHBondContact CD1-OG1 3.29Å; L33-T66 HydrophobicContact CG-CG2 4.45Å; T66-L97 WeakPolarHBondContact CA-O 3.38Å; T66-L97 WeakPolarHBondContact CB-O 3.32Å; T66-P99 HydrophobicContact CG2-CG 4.27Å; T66-V102 HydrophobicContact CG2-CG2 3.55Å
67T93.3Very high92.8Very high59 Ų5967.2 Ų67.236%0.36234%0.34SS..SBendtrans-77.4175.3170.755.90000110.8G31 Q65 Q69G31-T67 VanDerWaalsContact CA-CG2 3.42Å; G31-T67 PolarHBondContact O-N 3.09Å; Q65-T67 WeakPolarHBondContact CG-OG1 3.39Å; Q65-T67 PolarHBondContact NE2-OG1 2.87Å; T67-Q69 PolarHBondContact O-N 3.23Å; T67-Q69 VanDerWaalsContact O-N 3.14Å
68L94.3Very high93.3Very high106 Ų10658 Ų5856%0.55530%0.3SS*.  trans-54.7120.3167.2-70.9166.1000109.8V94 M96 Q168L68-V94 HydrophobicContact CD2-CG1 4.11Å; L68-M96 HydrophobicContact CD2-CB 4.17Å; L68-M96 HydrophobicContact CD2-SD 4.5Å; L68-Q168 HydrophobicContact CD2-CG 3.64Å
69Q92.7Very high93.6Very high35 Ų3554.5 Ų54.516%0.16429%0.287CS..EExtended strand (participates in β ladder)trans-117.4152.4176.5173.6177.4-25.400108.5T67 D71 V94 N95 D114T67-Q69 PolarHBondContact O-N 3.23Å; T67-Q69 VanDerWaalsContact O-N 3.14Å; Q69-D71 PolarHBondContact NE2-OD1 2.89Å; Q69-V94 CarbonylContact O-C 3.12Å; Q69-V94 VanDerWaalsContact O-CA 3.28Å; Q69-V94 WeakPolarHBondContact O-CA 3.36Å; Q69-N95 WeakPolarHBondContact CB-OD1 3.16Å; Q69-N95 PolarHBondContact N-O 3.09Å; Q69-N95 PolarHBondContact O-N 3.47Å; Q69-N95 PolarHBondContact O-OD1 2.85Å; Q69-D114 PolarHBondContact NE2-OD2 2.75Å
70T94.7Very high93.8Very high85 Ų8554 Ų5452%0.52128%0.284SS..EExtended strand (participates in β ladder)trans-121.8111.3174.8-56.70000108.6E92 V93 V94T70-E92 HydrophobicContact CG2-CB 4.07Å; T70-E92 HydrophobicContact CG2-CG 4.46Å; T70-V93 CarbonylContact C-O 3.52Å; T70-V93 WeakPolarHBondContact CA-O 3.48Å; T70-V94 HydrophobicContact CG2-CG2 4.34Å
71D93.3Very high94Very high10 Ų1053.1 Ų53.15%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-90.1126.1177.8-65-35.9000109.9Q69 E92 V93 N95 F119Q69-D71 PolarHBondContact NE2-OD1 2.89Å; D71-E92 CarbonylContact O-C 3.54Å; D71-E92 WeakPolarHBondContact O-CA 3.36Å; D71-V93 PolarHBondContact N-O 2.95Å; D71-V93 PolarHBondContact O-N 3.32Å; D71-N95 PolarHBondContact OD2-ND2 3.48Å; D71-N95 PolarHBondContact OD2-OD1 3.36Å; D71-F119 HydrophobicContact CB-CE1 3.92Å; D71-F119 HydrophobicContact CB-CZ 4.24Å
72E94.5Very high93.9Very high73 Ų7352.4 Ų52.434%0.34130%0.296SS..EExtended strand (participates in β ladder)trans-107.3123.2-179-166-171.8-17700110.5K74 R90 I91 E92E72-K74 VanDerWaalsContact CD-NZ 3.34Å; E72-K74 HydrophobicContact CG-CG 4.45Å; E72-K74 WeakPolarHBondContact OE1-CE 3.47Å; E72-K74 IonicContact OE1-NZ 3.88Å; E72-K74 PolarHBondContact OE1-NZ 3.39Å; E72-K74 WeakPolarHBondContact OE2-CE 3.48Å; E72-K74 IonicContact OE2-NZ 3.06Å; E72-K74 PolarHBondContact OE2-NZ 3.42Å; E72-R90 HydrophobicContact CG-CG 3.62Å; E72-R90 WeakPolarHBondContact OE1-CD 3.47Å; E72-R90 VanDerWaalsContact OE1-CG 3.3Å; E72-R90 WeakPolarHBondContact OE1-CG 3.39Å; E72-R90 IonicContact OE1-CZ 3.12Å; E72-R90 IonicContact OE1-NE 3.33Å; E72-R90 PolarHBondContact OE1-NE 3.47Å; E72-R90 IonicContact OE1-NH1 3.94Å; E72-R90 IonicContact OE1-NH2 3.78Å; E72-I91 WeakPolarHBondContact CA-O 3.34Å; E72-E92 HydrophobicContact CG-CG 4.48Å
73I94.2Very high93.7Very high10 Ų1048.5 Ų48.55%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-112.6128.3177.2-48.7167.2000108.1V76 R90 I91 F119 I122I73-V76 HydrophobicContact CB-CG2 4.36Å; I73-V76 HydrophobicContact CG2-CG2 3.42Å; I73-V76 VanDerWaalsContact CG2-CG2 3.42Å; I73-R90 CarbonylContact O-C 3.2Å; I73-R90 WeakPolarHBondContact O-CA 3.28Å; I73-I91 HydrophobicContact CB-CB 4.3Å; I73-I91 PolarHBondContact N-O 2.85Å; I73-I91 PolarHBondContact O-N 3.32Å; I73-F119 HydrophobicContact CD1-CD1 3.39Å; I73-F119 HydrophobicContact CD1-CE1 3.88Å; I73-F119 HydrophobicContact CD1-CG 4.41Å; I73-F119 HydrophobicContact CG1-CD1 3.26Å; I73-F119 HydrophobicContact CG1-CE1 3.32Å; I73-F119 HydrophobicContact CG1-CG 4.3Å; I73-F119 HydrophobicContact CG1-CZ 4.45Å; I73-I122 HydrophobicContact CD1-CB 4.15Å; I73-I122 HydrophobicContact CD1-CD1 3.28Å; I73-I122 HydrophobicContact CD1-CG1 4.3Å; I73-I122 HydrophobicContact CD1-CG2 4.06Å
74K94.2Very high93.7Very high117 Ų11746.8 Ų46.851%0.50929%0.289SS..EExtended strand (participates in β ladder)trans-114146.3-176.6-66.1178.6179.4160.60112E72 D89E72-K74 VanDerWaalsContact CD-NZ 3.34Å; E72-K74 HydrophobicContact CG-CG 4.45Å; E72-K74 WeakPolarHBondContact OE1-CE 3.47Å; E72-K74 IonicContact OE1-NZ 3.88Å; E72-K74 PolarHBondContact OE1-NZ 3.39Å; E72-K74 WeakPolarHBondContact OE2-CE 3.48Å; E72-K74 IonicContact OE2-NZ 3.06Å; E72-K74 PolarHBondContact OE2-NZ 3.42Å; K74-D89 VanDerWaalsContact CA-O 3.25Å; K74-D89 WeakPolarHBondContact CA-O 3.43Å
75N93.1Very high93.7Very high101 Ų10150.8 Ų50.854%0.5431%0.309SS..EExtended strand (participates in β ladder)trans53.854.6170.8-62.5-69.7000113.5P77 F88 D89N75-P77 VanDerWaalsContact O-CD 3.29Å; N75-P77 WeakPolarHBondContact O-CD 3.4Å; N75-F88 CarbonylContact C-O 3.51Å; N75-F88 VanDerWaalsContact CA-O 3.22Å; N75-F88 WeakPolarHBondContact CA-O 3.29Å; N75-F88 PolarHBondContact N-O 3.27Å; N75-F88 VanDerWaalsContact N-O 3.13Å; N75-D89 PolarHBondContact N-O 3.39Å; N75-D89 VanDerWaalsContact N-O 3.13Å
76V94.4Very high93.8Very high0 Ų048.1 Ų48.10%030%0.296CS..EExtended strand (participates in β ladder)trans-80.6115.3176.6-179.90000109.3I73 Y87 F88 I91 L126I73-V76 HydrophobicContact CB-CG2 4.36Å; I73-V76 HydrophobicContact CG2-CG2 3.42Å; I73-V76 VanDerWaalsContact CG2-CG2 3.42Å; V76-Y87 WeakPolarHBondContact O-CA 3.49Å; V76-F88 HydrophobicContact CB-CB 4.31Å; V76-F88 PolarHBondContact N-O 2.97Å; V76-F88 PolarHBondContact O-N 2.91Å; V76-I91 HydrophobicContact CB-CD1 4.44Å; V76-I91 HydrophobicContact CG2-CD1 4.07Å; V76-L126 HydrophobicContact CG1-CD1 4.14Å
77P94.9Very high94Very high47 Ų4752.1 Ų52.131%0.30531%0.31SS..EExtended strand (participates in β ladder)trans-73139.7175.730.2-33.4000110.7N75 M85 Y87 N127N75-P77 VanDerWaalsContact O-CD 3.29Å; N75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-M85 HydrophobicContact CB-CE 4.08Å; P77-Y87 HydrophobicContact CB-CD1 3.98Å; P77-Y87 HydrophobicContact CB-CE1 3.73Å; P77-N127 PolarHBondContact O-OD1 3.18Å
78C95.3Very high94.1Very high0 Ų049.3 Ų49.30%029%0.293CS..EExtended strand (participates in β ladder)trans-135.5125.5176-1380000110.7I86 F88 L126 N127 C130C78-I86 HydrophobicContact CB-CD1 4.26Å; C78-I86 HydrophobicContact CB-CG1 3.72Å; C78-I86 PolarHBondContact N-O 3.45Å; C78-I86 WeakPolarHBondContact O-CG1 3.49Å; C78-I86 PolarHBondContact O-N 2.89Å; C78-F88 HydrophobicContact CB-CD2 4.15Å; C78-F88 HydrophobicContact CB-CE2 3.78Å; C78-L126 PolarHBondContact SG-O 3Å; C78-N127 WeakPolarHBondContact CA-OD1 3.32Å; C78-C130 HydrophobicContact CB-CB 3.94Å; C78-C130 WeakPolarHBondContact CB-SG 3.39Å; C78-C130 WeakPolarHBondContact SG-CB 3.24Å; C78-C130 CovalentContact SG-SG 2.03Å; C78-C130 PolarHBondContact SG-SG 3.46Å
79G94.9Very high94Very high21 Ų2148.5 Ų48.522%0.21629%0.289CS..EExtended strand (participates in β ladder)trans-90.1117.9173.900000111.1C130 S131G79-C130 CarbonylContact O-C 3.48Å; G79-C130 WeakPolarHBondContact O-CB 3.3Å; G79-S131 PolarHBondContact O-N 2.91Å
80T95.8Very high94.2Very high8 Ų851.5 Ų51.55%0.04930%0.299CS..  trans-77.1158.8174.7600000111.5G82 G83 V84 I86 C130 L135T80-G82 PolarHBondContact O-N 2.99Å; T80-G82 VanDerWaalsContact O-N 3.13Å; T80-G83 PolarHBondContact O-N 3.44Å; T80-V84 PolarHBondContact N-O 2.94Å; T80-V84 PolarHBondContact OG1-N 2.83Å; T80-V84 PolarHBondContact OG1-O 3.42Å; T80-I86 HydrophobicContact CG2-CD1 3.83Å; T80-I86 HydrophobicContact CG2-CG1 4.15Å; T80-I86 HydrophobicContact CG2-CG2 4.37Å; T80-C130 CarbonylContact C-O 3.6Å; T80-C130 VanDerWaalsContact CA-O 3.29Å; T80-C130 WeakPolarHBondContact CA-O 3.47Å; T80-L135 HydrophobicContact CG2-CB 4.39Å; T80-L135 HydrophobicContact CG2-CD1 4.47Å
81S94.9Very high94.2Very high64 Ų6447.5 Ų47.545%0.44827%0.274SS..THydrogen-bonded Turntrans-57.9-26.3175.368.50000113.3G83 C130 S131 H133 T134S81-G83 PolarHBondContact O-N 3.41Å; S81-C130 PolarHBondContact N-O 3.4Å; S81-C130 VanDerWaalsContact N-O 3.15Å; S81-S131 VanDerWaalsContact CB-O 3.29Å; S81-S131 WeakPolarHBondContact CB-O 3.2Å; S81-H133 WeakPolarHBondContact CB-O 3.23Å; S81-H133 PolarHBondContact N-O 3.26Å; S81-H133 PolarHBondContact OG-O 2.85Å; S81-H133 VanDerWaalsContact OG-O 3.05Å; S81-T134 PolarHBondContact OG-N 3.22Å
82G90.8Very high94.4Very high59 Ų5949.3 Ų49.361%0.60828%0.282SS*.THydrogen-bonded Turntrans-77.9517500000115.1T80 V84T80-G82 PolarHBondContact O-N 2.99Å; T80-G82 VanDerWaalsContact O-N 3.13Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.41Å
83G89.9Confident94.5Very high69 Ų6945.8 Ų45.871%0.71127%0.266SS*.SBendtrans76.48.3178.900000114.7T80 S81T80-G83 PolarHBondContact O-N 3.44Å; S81-G83 PolarHBondContact O-N 3.41Å
84V93.5Very high94.6Very high37 Ų3747.2 Ų47.222%0.22428%0.275CS..  trans-88.6127.1174.6175.90000109.5T80 G82 I86 L135 I181T80-V84 PolarHBondContact N-O 2.94Å; T80-V84 PolarHBondContact OG1-N 2.83Å; T80-V84 PolarHBondContact OG1-O 3.42Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.41Å; V84-I86 HydrophobicContact CG1-CG2 4.15Å; V84-L135 HydrophobicContact CG1-CD2 4.43Å; V84-I181 HydrophobicContact CB-CD1 4.26Å; V84-I181 HydrophobicContact CG1-CD1 3.31Å; V84-I181 HydrophobicContact CG2-CD1 3.91Å
85M93.7Very high94.6Very high91 Ų9141.7 Ų41.745%0.44825%0.251SS..EExtended strand (participates in β ladder)trans-83118170.6-65.9-61.8-64.500110.3P77 P178P77-M85 HydrophobicContact CB-CE 4.08Å; M85-P178 WeakPolarHBondContact O-CD 3.3Å; M85-P178 WeakPolarHBondContact O-CG 3.33Å
86I95.3Very high94.7Very high0 Ų040 Ų400%024%0.24CC..EExtended strand (participates in β ladder)trans-109.5160.417360.5176.1000110.5C78 T80 V84 F88 L135 V138 P175C78-I86 HydrophobicContact CB-CD1 4.26Å; C78-I86 HydrophobicContact CB-CG1 3.72Å; C78-I86 PolarHBondContact N-O 3.45Å; C78-I86 WeakPolarHBondContact O-CG1 3.49Å; C78-I86 PolarHBondContact O-N 2.89Å; T80-I86 HydrophobicContact CG2-CD1 3.83Å; T80-I86 HydrophobicContact CG2-CG1 4.15Å; T80-I86 HydrophobicContact CG2-CG2 4.37Å; V84-I86 HydrophobicContact CG1-CG2 4.15Å; I86-F88 HydrophobicContact CD1-CE2 4.3Å; I86-F88 HydrophobicContact CD1-CZ 4.46Å; I86-L135 HydrophobicContact CG2-CD1 3.39Å; I86-V138 HydrophobicContact CD1-CG1 3.93Å; I86-P175 HydrophobicContact CB-CB 4.25Å; I86-P175 HydrophobicContact CD1-CB 3.94Å; I86-P175 HydrophobicContact CD1-CG 4.02Å; I86-P175 HydrophobicContact CG1-CB 4.35Å
87Y95.6Very high94.7Very high102 Ų10240 Ų4040%0.424%0.241SC..EExtended strand (participates in β ladder)trans-128.3125.2179.9-63.7-93.6000110.7V76 P77 D89 P175 K176V76-Y87 WeakPolarHBondContact O-CA 3.49Å; P77-Y87 HydrophobicContact CB-CD1 3.98Å; P77-Y87 HydrophobicContact CB-CE1 3.73Å; Y87-D89 PolarHBondContact O-N 3.46Å; Y87-P175 CarbonylContact O-C 3.59Å; Y87-P175 VanDerWaalsContact O-CA 3.32Å; Y87-P175 WeakPolarHBondContact O-CA 3.49Å; Y87-K176 PolarHBondContact N-O 3.13Å; Y87-K176 PolarHBondContact O-N 3.44Å
88F95.6Very high94.7Very high0 Ų040.1 Ų40.10%024%0.241CC..EExtended strand (participates in β ladder)trans-79.8118.5168.6-68.2-88.2000108.7N75 V76 C78 I86 I91 L126 V138 V172 T173 P175N75-F88 CarbonylContact C-O 3.51Å; N75-F88 VanDerWaalsContact CA-O 3.22Å; N75-F88 WeakPolarHBondContact CA-O 3.29Å; N75-F88 PolarHBondContact N-O 3.27Å; N75-F88 VanDerWaalsContact N-O 3.13Å; V76-F88 HydrophobicContact CB-CB 4.31Å; V76-F88 PolarHBondContact N-O 2.97Å; V76-F88 PolarHBondContact O-N 2.91Å; C78-F88 HydrophobicContact CB-CD2 4.15Å; C78-F88 HydrophobicContact CB-CE2 3.78Å; I86-F88 HydrophobicContact CD1-CE2 4.3Å; I86-F88 HydrophobicContact CD1-CZ 4.46Å; F88-I91 HydrophobicContact CB-CD1 4.2Å; F88-I91 HydrophobicContact CB-CG1 4.27Å; F88-L126 HydrophobicContact CD2-CD1 4.37Å; F88-L126 HydrophobicContact CE2-CD2 4.49Å; F88-V138 HydrophobicContact CZ-CG1 4.14Å; F88-V172 HydrophobicContact CD1-CG1 3.32Å; F88-V172 HydrophobicContact CE1-CG1 3.53Å; F88-V172 HydrophobicContact CG-CG1 4.28Å; F88-T173 WeakPolarHBondContact CD1-O 3.32Å; F88-P175 HydrophobicContact CD1-CB 3.86Å; F88-P175 HydrophobicContact CD1-CG 4.33Å; F88-P175 HydrophobicContact CD2-CB 4.4Å; F88-P175 HydrophobicContact CE1-CB 3.77Å; F88-P175 HydrophobicContact CE1-CG 3.8Å; F88-P175 HydrophobicContact CE2-CB 4.31Å; F88-P175 HydrophobicContact CG-CB 4.19Å; F88-P175 HydrophobicContact CZ-CB 4.01Å; F88-P175 HydrophobicContact CZ-CG 4.05Å
89D93.6Very high94.6Very high90 Ų9043.4 Ų43.448%0.48126%0.262SS..EExtended strand (participates in β ladder)trans-66.7-45.7-175-172.830.1000110.8K74 N75 Y87K74-D89 VanDerWaalsContact CA-O 3.25Å; K74-D89 WeakPolarHBondContact CA-O 3.43Å; N75-D89 PolarHBondContact N-O 3.39Å; N75-D89 VanDerWaalsContact N-O 3.13Å; Y87-D89 PolarHBondContact O-N 3.46Å
90R95.3Very high94.6Very high98 Ų9847.2 Ų47.237%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-145.1136.9-179-170.2-171-56.9-159.8-10.5112.7E72 I73 E92 T173E72-R90 HydrophobicContact CG-CG 3.62Å; E72-R90 WeakPolarHBondContact OE1-CD 3.47Å; E72-R90 VanDerWaalsContact OE1-CG 3.3Å; E72-R90 WeakPolarHBondContact OE1-CG 3.39Å; E72-R90 IonicContact OE1-CZ 3.12Å; E72-R90 IonicContact OE1-NE 3.33Å; E72-R90 PolarHBondContact OE1-NE 3.47Å; E72-R90 IonicContact OE1-NH1 3.94Å; E72-R90 IonicContact OE1-NH2 3.78Å; I73-R90 CarbonylContact O-C 3.2Å; I73-R90 WeakPolarHBondContact O-CA 3.28Å; R90-E92 WeakPolarHBondContact CD-OE1 3.4Å; R90-E92 HydrophobicContact CG-CG 4.07Å; R90-E92 IonicContact CZ-OE1 3.32Å; R90-E92 IonicContact NE-OE1 2.79Å; R90-E92 IonicContact NH1-OE1 2.67Å; R90-E92 PolarHBondContact NH1-OE1 3.2Å; R90-T173 HydrophobicContact CB-CG2 3.89Å; R90-T173 PolarHBondContact N-OG1 3.46Å; R90-T173 WeakPolarHBondContact O-CB 3.19Å; R90-T173 WeakPolarHBondContact O-CG2 3.4Å; R90-T173 PolarHBondContact O-N 2.84Å; R90-T173 PolarHBondContact O-OG1 3.29Å
91I96.2Very high94.5Very high0 Ų047.4 Ų47.40%029%0.288CS..EExtended strand (participates in β ladder)trans-127.7125.7167.7-54.6178000107.5E72 I73 V76 F88 V93 I122 L126 V170 R171 V172E72-I91 WeakPolarHBondContact CA-O 3.34Å; I73-I91 HydrophobicContact CB-CB 4.3Å; I73-I91 PolarHBondContact N-O 2.85Å; I73-I91 PolarHBondContact O-N 3.32Å; V76-I91 HydrophobicContact CB-CD1 4.44Å; V76-I91 HydrophobicContact CG2-CD1 4.07Å; F88-I91 HydrophobicContact CB-CD1 4.2Å; F88-I91 HydrophobicContact CB-CG1 4.27Å; I91-V93 HydrophobicContact CG2-CG2 4.22Å; I91-I122 HydrophobicContact CD1-CG2 3.83Å; I91-L126 HydrophobicContact CD1-CD1 3.29Å; I91-V170 HydrophobicContact CG2-CG1 4.32Å; I91-R171 WeakPolarHBondContact CA-O 3.21Å; I91-V172 HydrophobicContact CD1-CG2 4.49Å; I91-V172 HydrophobicContact CG1-CG1 4.24Å; I91-V172 HydrophobicContact CG1-CG2 4.31Å; I91-V172 HydrophobicContact CG2-CG2 4.02Å
92E95.9Very high94.5Very high48 Ų4844.4 Ų44.422%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-109.1124.3178.9-66.3171.6172.800108.3T70 D71 E72 R90 V170 R171T70-E92 HydrophobicContact CG2-CB 4.07Å; T70-E92 HydrophobicContact CG2-CG 4.46Å; D71-E92 CarbonylContact O-C 3.54Å; D71-E92 WeakPolarHBondContact O-CA 3.36Å; E72-E92 HydrophobicContact CG-CG 4.48Å; R90-E92 WeakPolarHBondContact CD-OE1 3.4Å; R90-E92 HydrophobicContact CG-CG 4.07Å; R90-E92 IonicContact CZ-OE1 3.32Å; R90-E92 IonicContact NE-OE1 2.79Å; R90-E92 IonicContact NH1-OE1 2.67Å; R90-E92 PolarHBondContact NH1-OE1 3.2Å; E92-V170 WeakPolarHBondContact O-CA 3.5Å; E92-R171 HydrophobicContact CB-CB 4.42Å; E92-R171 PolarHBondContact N-O 2.92Å; E92-R171 PolarHBondContact O-N 3.28Å
93V96.6Very high94.6Very high0 Ų042.2 Ų42.20%024%0.241CC..EExtended strand (participates in β ladder)trans-118.5119.5177.4-179.30000108.7T70 D71 I91 I118 I122 I167 V170T70-V93 CarbonylContact C-O 3.52Å; T70-V93 WeakPolarHBondContact CA-O 3.48Å; D71-V93 PolarHBondContact N-O 2.95Å; D71-V93 PolarHBondContact O-N 3.32Å; I91-V93 HydrophobicContact CG2-CG2 4.22Å; V93-I118 HydrophobicContact CB-CG2 4.29Å; V93-I118 HydrophobicContact CG1-CG2 4.11Å; V93-I118 HydrophobicContact CG2-CG2 4.27Å; V93-I122 HydrophobicContact CG2-CD1 3.56Å; V93-I167 HydrophobicContact CG1-CD1 3.84Å; V93-I167 HydrophobicContact CG1-CG2 3.96Å; V93-V170 HydrophobicContact CG1-CG2 4.28Å; V93-V170 HydrophobicContact CG2-CG1 4.24Å; V93-V170 HydrophobicContact CG2-CG2 4.32Å
94V96.3Very high94.8Very high39 Ų3942.9 Ų42.924%0.23623%0.229CC..EExtended strand (participates in β ladder)trans-92.8113.8176.7-174.40000108.2L68 Q69 T70 Q168 A169L68-V94 HydrophobicContact CD2-CG1 4.11Å; Q69-V94 CarbonylContact O-C 3.12Å; Q69-V94 VanDerWaalsContact O-CA 3.28Å; Q69-V94 WeakPolarHBondContact O-CA 3.36Å; T70-V94 HydrophobicContact CG2-CG2 4.34Å; V94-Q168 HydrophobicContact CB-CB 4.3Å; V94-Q168 HydrophobicContact CG1-CB 4.07Å; V94-Q168 HydrophobicContact CG1-CG 4.45Å; V94-Q168 PolarHBondContact O-N 2.92Å; V94-A169 HydrophobicContact CB-CB 4.38Å; V94-A169 HydrophobicContact CG2-CB 4.4Å; V94-A169 PolarHBondContact N-O 3.27Å
95N95.1Very high94.9Very high2 Ų241.3 Ų41.31%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-121.4162.1-179.365.3-17.8000111.8Q69 D71 D114 I118 L165 T166 I167Q69-N95 WeakPolarHBondContact CB-OD1 3.16Å; Q69-N95 PolarHBondContact N-O 3.09Å; Q69-N95 PolarHBondContact O-N 3.47Å; Q69-N95 PolarHBondContact O-OD1 2.85Å; D71-N95 PolarHBondContact OD2-ND2 3.48Å; D71-N95 PolarHBondContact OD2-OD1 3.36Å; N95-D114 PolarHBondContact ND2-OD1 2.89Å; N95-I118 HydrophobicContact CB-CD1 4.27Å; N95-I118 WeakPolarHBondContact ND2-CD1 3.49Å; N95-L165 HydrophobicContact CB-CD1 4.21Å; N95-T166 CarbonylContact C-O 3.54Å; N95-T166 VanDerWaalsContact CA-O 3.24Å; N95-T166 WeakPolarHBondContact CA-O 3.08Å; N95-I167 HydrophobicContact CB-CD1 3.8Å
96M94.8Very high94.9Very high64 Ų6437.2 Ų37.232%0.31520%0.199SC..EExtended strand (participates in β ladder)trans-143.8128.4172.5-168.3-178.180.800109.4L68 T166L68-M96 HydrophobicContact CD2-CB 4.17Å; L68-M96 HydrophobicContact CD2-SD 4.5Å; M96-T166 PolarHBondContact N-O 3.31Å; M96-T166 PolarHBondContact O-N 3.45Å; M96-T166 PolarHBondContact O-OG1 2.93Å
97L94.9Very high94.8Very high1 Ų143.2 Ų43.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-102123.1176-18059.9000110.3V64 T66 A101 V102 I105 Y113 L165V64-L97 HydrophobicContact CG1-CD2 3.74Å; T66-L97 WeakPolarHBondContact CA-O 3.38Å; T66-L97 WeakPolarHBondContact CB-O 3.32Å; L97-A101 HydrophobicContact CD1-CB 4.39Å; L97-V102 HydrophobicContact CD2-CB 4.46Å; L97-V102 HydrophobicContact CD2-CG2 3.79Å; L97-V102 HydrophobicContact CG-CG2 4Å; L97-I105 HydrophobicContact CD1-CG1 3.96Å; L97-Y113 HydrophobicContact CD2-CE1 3.87Å; L97-L165 HydrophobicContact CB-CD1 4.14Å; L97-L165 HydrophobicContact CD1-CB 4.23Å; L97-L165 HydrophobicContact CD1-CD1 4.41Å
98V94.9Very high94.7Very high50 Ų5043.7 Ų43.730%0.30323%0.231SC..  trans-67.9131.1177.3-179.90000110S100 A101 G164V98-S100 WeakPolarHBondContact CG1-OG 3.35Å; V98-S100 PolarHBondContact O-N 3.26Å; V98-S100 VanDerWaalsContact O-N 3.08Å; V98-A101 PolarHBondContact O-N 2.89Å; V98-G164 WeakPolarHBondContact CG2-O 3.39Å; V98-G164 PolarHBondContact N-O 3.1Å
99P93.4Very high94.5Very high68 Ų6846.2 Ų46.244%0.44224%0.241SC..G310 helixtrans-54.1-32.9-176.5-30.235.6000115.4L33 T66 A101 V102L33-P99 HydrophobicContact CD1-CB 4.38Å; L33-P99 HydrophobicContact CD2-CB 3.89Å; T66-P99 HydrophobicContact CG2-CG 4.27Å; P99-A101 VanDerWaalsContact C-N 3.3Å; P99-A101 PolarHBondContact O-N 3.42Å; P99-V102 WeakPolarHBondContact O-CG2 3.39Å
100S93.6Very high94.4Very high102 Ų10245.8 Ų45.871%0.71324%0.242SC*.G310 helixtrans-68.4-26.4179.756.20000113.7V98V98-S100 WeakPolarHBondContact CG1-OG 3.35Å; V98-S100 PolarHBondContact O-N 3.26Å; V98-S100 VanDerWaalsContact O-N 3.08Å
101A94.6Very high94.1Very high12 Ų1242.1 Ų42.110%0.09923%0.232CC..G310 helixtrans-91.9-10.5-176.900000113.3L97 V98 P99 V103 D104 I105 P163L97-A101 HydrophobicContact CD1-CB 4.39Å; V98-A101 PolarHBondContact O-N 2.89Å; P99-A101 VanDerWaalsContact C-N 3.3Å; P99-A101 PolarHBondContact O-N 3.42Å; A101-V103 VanDerWaalsContact C-N 3.34Å; A101-V103 PolarHBondContact O-N 2.82Å; A101-D104 PolarHBondContact O-N 3.16Å; A101-D104 VanDerWaalsContact O-N 3.14Å; A101-I105 HydrophobicContact CB-CG1 4.43Å; A101-I105 WeakPolarHBondContact O-CG1 3.45Å; A101-I105 PolarHBondContact O-N 3.41Å; A101-P163 WeakPolarHBondContact CB-O 3.49Å
102V94.5Very high93.9Very high0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans-53.4-47.5-172.51730000112.4L33 V35 V64 T66 L97 P99 D104 I105 V106L33-V102 HydrophobicContact CD2-CG2 4.3Å; V35-V102 HydrophobicContact CG2-CG1 4.01Å; V64-V102 HydrophobicContact CB-CG1 4.1Å; V64-V102 HydrophobicContact CG1-CG1 4.17Å; V64-V102 HydrophobicContact CG2-CG1 4.35Å; T66-V102 HydrophobicContact CG2-CG2 3.55Å; L97-V102 HydrophobicContact CD2-CB 4.46Å; L97-V102 HydrophobicContact CD2-CG2 3.79Å; L97-V102 HydrophobicContact CG-CG2 4Å; P99-V102 WeakPolarHBondContact O-CG2 3.39Å; V102-D104 VanDerWaalsContact C-N 3.34Å; V102-D104 PolarHBondContact O-N 2.97Å; V102-I105 PolarHBondContact O-N 3.39Å; V102-V106 HydrophobicContact CG1-CG2 4.38Å; V102-V106 WeakPolarHBondContact O-CB 3.32Å; V102-V106 WeakPolarHBondContact O-CG2 3.38Å; V102-V106 PolarHBondContact O-N 3.47Å
103V93.9Very high93.7Very high14 Ų1445.5 Ų45.59%0.08525%0.252CS..Hα-helixtrans-65.4-39.6-176.7179.10000111.6V35 L42 P46 A101 R107V35-V103 HydrophobicContact CG1-CG2 4.26Å; L42-V103 HydrophobicContact CD2-CG1 4.19Å; P46-V103 HydrophobicContact CB-CG2 4.12Å; P46-V103 HydrophobicContact CG-CG2 3.88Å; A101-V103 VanDerWaalsContact C-N 3.34Å; A101-V103 PolarHBondContact O-N 2.82Å; V103-R107 VanDerWaalsContact O-CB 3.27Å; V103-R107 WeakPolarHBondContact O-CB 3.27Å; V103-R107 PolarHBondContact O-N 3.47Å
104D93.9Very high93.5Very high83 Ų8346.6 Ų46.644%0.44426%0.258SS..Hα-helixtrans-73.4-40.2-178.4-67.8-30.7000111.6A101 V102 R107 N108A101-D104 PolarHBondContact O-N 3.16Å; A101-D104 VanDerWaalsContact O-N 3.14Å; V102-D104 VanDerWaalsContact C-N 3.34Å; V102-D104 PolarHBondContact O-N 2.97Å; D104-R107 PolarHBondContact O-N 2.9Å; D104-R107 IonicContact OD1-NH1 3.08Å; D104-R107 PolarHBondContact OD1-NH1 2.83Å; D104-R107 VanDerWaalsContact OD1-NH1 3.15Å; D104-N108 WeakPolarHBondContact O-CB 3.34Å; D104-N108 PolarHBondContact O-N 3.24Å; D104-N108 PolarHBondContact O-ND2 3.01Å
105I94.3Very high93.3Very high4 Ų451.2 Ų51.22%0.02128%0.275CS..Hα-helixtrans-61.2-47.2173.2-64.1-52.6000110.5L97 A101 V102 R107 N108 Y109 Y113 A162L97-I105 HydrophobicContact CD1-CG1 3.96Å; A101-I105 HydrophobicContact CB-CG1 4.43Å; A101-I105 WeakPolarHBondContact O-CG1 3.45Å; A101-I105 PolarHBondContact O-N 3.41Å; V102-I105 PolarHBondContact O-N 3.39Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 2.8Å; I105-N108 PolarHBondContact O-N 2.87Å; I105-Y109 HydrophobicContact CD1-CD2 4.48Å; I105-Y109 HydrophobicContact CG2-CD2 4.45Å; I105-Y109 WeakPolarHBondContact O-CA 3.43Å; I105-Y109 WeakPolarHBondContact O-CB 3.41Å; I105-Y109 PolarHBondContact O-N 3.35Å; I105-Y113 HydrophobicContact CG2-CD1 3.78Å; I105-Y113 HydrophobicContact CG2-CD2 4.15Å; I105-Y113 HydrophobicContact CG2-CE1 4.48Å; I105-Y113 HydrophobicContact CG2-CG 3.61Å; I105-A162 HydrophobicContact CD1-CB 3.49Å; I105-A162 VanDerWaalsContact CD1-CB 3.49Å
106V94.2Very high93.1Very high4 Ų454.3 Ų54.32%0.02429%0.294CS..Hα-helixtrans-68.3-31.2-179.5172.90000112V35 Y37 L42 V64 V102 T110V35-V106 HydrophobicContact CG2-CG1 4.39Å; V35-V106 HydrophobicContact CG2-CG2 4.18Å; Y37-V106 WeakPolarHBondContact OH-CG1 3.25Å; L42-V106 HydrophobicContact CD1-CG1 4.02Å; L42-V106 HydrophobicContact CD2-CB 4.48Å; L42-V106 HydrophobicContact CD2-CG1 4.15Å; V64-V106 HydrophobicContact CG2-CG2 3.95Å; V102-V106 HydrophobicContact CG1-CG2 4.38Å; V102-V106 WeakPolarHBondContact O-CB 3.32Å; V102-V106 WeakPolarHBondContact O-CG2 3.38Å; V102-V106 PolarHBondContact O-N 3.47Å; V106-T110 WeakPolarHBondContact O-CA 3.46Å; V106-T110 PolarHBondContact O-N 2.91Å
107R93.1Very high93Very high126 Ų12651.8 Ų51.848%0.47528%0.281SS..Hα-helixtrans-67.2-42.9173.7-174.6-178.9-68.2136.61.9111.9L42 V103 D104 I105L42-R107 HydrophobicContact CD2-CB 3.88Å; V103-R107 VanDerWaalsContact O-CB 3.27Å; V103-R107 WeakPolarHBondContact O-CB 3.27Å; V103-R107 PolarHBondContact O-N 3.47Å; D104-R107 PolarHBondContact O-N 2.9Å; D104-R107 IonicContact OD1-NH1 3.08Å; D104-R107 PolarHBondContact OD1-NH1 2.83Å; D104-R107 VanDerWaalsContact OD1-NH1 3.15Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 2.8Å
108N93.4Very high93Very high113 Ų11351.7 Ų51.760%0.60428%0.281SS*.Hα-helixtrans-85.6-35.6-174-67-17.5000113.1D104 I105D104-N108 WeakPolarHBondContact O-CB 3.34Å; D104-N108 PolarHBondContact O-N 3.24Å; D104-N108 PolarHBondContact O-ND2 3.01Å; I105-N108 PolarHBondContact O-N 2.87Å
109Y92.2Very high92.9Very high52 Ų5251.9 Ų51.920%0.20428%0.277CS..Hα-helixtrans-123.94.5-170.5-58.7-75.1000114.3I105 L117 M161 A162I105-Y109 HydrophobicContact CD1-CD2 4.48Å; I105-Y109 HydrophobicContact CG2-CD2 4.45Å; I105-Y109 WeakPolarHBondContact O-CA 3.43Å; I105-Y109 WeakPolarHBondContact O-CB 3.41Å; I105-Y109 PolarHBondContact O-N 3.35Å; Y109-L117 HydrophobicContact CD1-CD1 4.47Å; Y109-L117 HydrophobicContact CD1-CD2 3.81Å; Y109-L117 HydrophobicContact CD1-CG 4.16Å; Y109-L117 HydrophobicContact CD2-CD1 3.96Å; Y109-L117 HydrophobicContact CD2-CD2 4.41Å; Y109-L117 HydrophobicContact CE1-CD2 3.63Å; Y109-L117 HydrophobicContact CE1-CG 4.46Å; Y109-L117 HydrophobicContact CE2-CD1 4.31Å; Y109-L117 HydrophobicContact CE2-CD2 4.24Å; Y109-L117 HydrophobicContact CG-CD1 4.04Å; Y109-L117 HydrophobicContact CG-CD2 4.2Å; Y109-L117 HydrophobicContact CG-CG 4.19Å; Y109-M161 HydrophobicContact CE1-CE 3.98Å; Y109-M161 WeakPolarHBondContact CE2-O 3.3Å; Y109-M161 WeakPolarHBondContact OH-CB 3.45Å; Y109-M161 PolarHBondContact OH-O 2.9Å; Y109-A162 HydrophobicContact CE2-CB 4.31Å
110T92.1Very high92.9Very high81 Ų8153 Ų5350%0.49728%0.28SS..  trans67.9178.1-175.178.90000113.9V106 D112V106-T110 WeakPolarHBondContact O-CA 3.46Å; V106-T110 PolarHBondContact O-N 2.91Å; T110-D112 PolarHBondContact O-N 2.86Å
111A88.9Confident92.9Very high21 Ų2150.1 Ų50.117%0.17426%0.255CS..THydrogen-bonded Turntrans-65.9-27.417900000112.9R62 Y113R62-A111 HydrophobicContact CB-CB 3.97Å; R62-A111 HydrophobicContact CG-CB 3.98Å; A111-Y113 VanDerWaalsContact C-N 3.27Å; A111-Y113 PolarHBondContact O-N 3.24Å
112D91.1Very high92.9Very high115 Ų11549.6 Ų49.662%0.61525%0.25SC*.THydrogen-bonded Turntrans-93.244-179.9-57.7-45000111.6T110 D114 K115T110-D112 PolarHBondContact O-N 2.86Å; D112-D114 PolarHBondContact O-N 3.48Å; D112-K115 PolarHBondContact O-N 2.85Å
113Y92.3Very high92.9Very high5 Ų552.4 Ų52.42%0.0226%0.263CS..Hα-helixtrans-62.6-27.7-174.965.8-95.6000112.7V64 L97 I105 A111 K115 T116 L117 L165V64-Y113 HydrophobicContact CG1-CE1 3.9Å; L97-Y113 HydrophobicContact CD2-CE1 3.87Å; I105-Y113 HydrophobicContact CG2-CD1 3.78Å; I105-Y113 HydrophobicContact CG2-CD2 4.15Å; I105-Y113 HydrophobicContact CG2-CE1 4.48Å; I105-Y113 HydrophobicContact CG2-CG 3.61Å; A111-Y113 VanDerWaalsContact C-N 3.27Å; A111-Y113 PolarHBondContact O-N 3.24Å; Y113-K115 PolarHBondContact O-N 3.15Å; Y113-T116 PolarHBondContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 2.9Å; Y113-T116 VanDerWaalsContact O-OG1 3.12Å; Y113-L117 HydrophobicContact CD2-CD1 4.27Å; Y113-L117 WeakPolarHBondContact O-CB 3.27Å; Y113-L117 PolarHBondContact O-N 3.36Å; Y113-L165 HydrophobicContact CD2-CD2 3.92Å; Y113-L165 HydrophobicContact CE2-CD1 4.05Å; Y113-L165 HydrophobicContact CE2-CD2 3.82Å
114D92.6Very high92.9Very high23 Ų2357 Ų5712%0.12328%0.283CS..Hα-helixtrans-56.7-36.6178.5-61.1-43.6000111.5Q69 N95 D112 I118 F119Q69-D114 PolarHBondContact NE2-OD2 2.75Å; N95-D114 PolarHBondContact ND2-OD1 2.89Å; D112-D114 PolarHBondContact O-N 3.48Å; D114-I118 WeakPolarHBondContact O-CA 3.49Å; D114-I118 VanDerWaalsContact O-CB 3.29Å; D114-I118 WeakPolarHBondContact O-CB 3.37Å; D114-I118 PolarHBondContact O-N 3.39Å; D114-F119 PolarHBondContact O-N 2.98Å
115K91.8Very high93Very high136 Ų13655.3 Ų55.359%0.59127%0.273SS*.Iπ-helixtrans-68.1-41-178.9-173.6171.2-176.9178.50113D112 Y113 F119 N120D112-K115 PolarHBondContact O-N 2.85Å; Y113-K115 PolarHBondContact O-N 3.15Å; K115-F119 VanDerWaalsContact CA-CD2 3.42Å; K115-F119 HydrophobicContact CB-CD2 3.89Å; K115-F119 HydrophobicContact CG-CD2 4.08Å; K115-F119 WeakPolarHBondContact O-CB 3.33Å; K115-N120 PolarHBondContact O-N 3.05Å; K115-N120 VanDerWaalsContact O-N 3.09Å; K115-N120 PolarHBondContact O-ND2 2.85Å; K115-N120 PolarHBondContact O-OD1 2.82Å
116T90.4Very high93Very high67 Ų6755.2 Ų55.241%0.41127%0.272SS..Iπ-helixtrans-83.4-43.1-176.151.80000111.8Y113Y113-T116 PolarHBondContact O-N 3.12Å; Y113-T116 PolarHBondContact O-OG1 2.9Å; Y113-T116 VanDerWaalsContact O-OG1 3.12Å
117L93.2Very high93Very high10 Ų1058 Ų585%0.05229%0.287CS..Iπ-helixtrans-84.6-37.9-174.5-65.7178.2000113.3Y109 Y113 K121 L158 M161 A162 L165Y109-L117 HydrophobicContact CD1-CD1 4.47Å; Y109-L117 HydrophobicContact CD1-CD2 3.81Å; Y109-L117 HydrophobicContact CD1-CG 4.16Å; Y109-L117 HydrophobicContact CD2-CD1 3.96Å; Y109-L117 HydrophobicContact CD2-CD2 4.41Å; Y109-L117 HydrophobicContact CE1-CD2 3.63Å; Y109-L117 HydrophobicContact CE1-CG 4.46Å; Y109-L117 HydrophobicContact CE2-CD1 4.31Å; Y109-L117 HydrophobicContact CE2-CD2 4.24Å; Y109-L117 HydrophobicContact CG-CD1 4.04Å; Y109-L117 HydrophobicContact CG-CD2 4.2Å; Y109-L117 HydrophobicContact CG-CG 4.19Å; Y113-L117 HydrophobicContact CD2-CD1 4.27Å; Y113-L117 WeakPolarHBondContact O-CB 3.27Å; Y113-L117 PolarHBondContact O-N 3.36Å; L117-K121 VanDerWaalsContact O-CB 3.27Å; L117-K121 WeakPolarHBondContact O-CB 3.4Å; L117-L158 HydrophobicContact CB-CD2 4.02Å; L117-L158 HydrophobicContact CD1-CD2 4.3Å; L117-M161 HydrophobicContact CD2-CE 4.03Å; L117-A162 HydrophobicContact CD1-CB 3.7Å; L117-L165 HydrophobicContact CD1-CD2 4.17Å
118I94.5Very high93Very high0 Ų056.9 Ų56.90%029%0.287CS..Iπ-helixtrans-102.9-60.9-174.4-57.1175.7000110V93 N95 D114 N120 K121 I122 L165 I167V93-I118 HydrophobicContact CB-CG2 4.29Å; V93-I118 HydrophobicContact CG1-CG2 4.11Å; V93-I118 HydrophobicContact CG2-CG2 4.27Å; N95-I118 HydrophobicContact CB-CD1 4.27Å; N95-I118 WeakPolarHBondContact ND2-CD1 3.49Å; D114-I118 WeakPolarHBondContact O-CA 3.49Å; D114-I118 VanDerWaalsContact O-CB 3.29Å; D114-I118 WeakPolarHBondContact O-CB 3.37Å; D114-I118 PolarHBondContact O-N 3.39Å; I118-N120 PolarHBondContact O-N 2.77Å; I118-K121 PolarHBondContact O-N 3.28Å; I118-I122 HydrophobicContact CG2-CD1 3.54Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.24Å; I118-L165 HydrophobicContact CD1-CD2 4.38Å; I118-I167 HydrophobicContact CD1-CD1 4.2Å
119F93.4Very high93Very high53 Ų5353 Ų5323%0.23227%0.265CS..Iπ-helixtrans-60.9-52.4-172.3-59.8-26.9000112.7D71 I73 D114 K115 K121 I122 H123D71-F119 HydrophobicContact CB-CE1 3.92Å; D71-F119 HydrophobicContact CB-CZ 4.24Å; I73-F119 HydrophobicContact CD1-CD1 3.39Å; I73-F119 HydrophobicContact CD1-CE1 3.88Å; I73-F119 HydrophobicContact CD1-CG 4.41Å; I73-F119 HydrophobicContact CG1-CD1 3.26Å; I73-F119 HydrophobicContact CG1-CE1 3.32Å; I73-F119 HydrophobicContact CG1-CG 4.3Å; I73-F119 HydrophobicContact CG1-CZ 4.45Å; D114-F119 PolarHBondContact O-N 2.98Å; K115-F119 VanDerWaalsContact CA-CD2 3.42Å; K115-F119 HydrophobicContact CB-CD2 3.89Å; K115-F119 HydrophobicContact CG-CD2 4.08Å; K115-F119 WeakPolarHBondContact O-CB 3.33Å; F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 3.39Å; F119-I122 PolarHBondContact O-N 3.47Å; F119-H123 PolarHBondContact O-N 3.37Å; F119-H123 PolarHBondContact O-ND1 3.44Å
120N92.9Very high93.1Very high92 Ų9250.6 Ų50.649%0.49226%0.255SS..Hα-helixtrans-63-37.6-179.8-69.7-16.9000112.1K115 I118 H123 H124K115-N120 PolarHBondContact O-N 3.05Å; K115-N120 VanDerWaalsContact O-N 3.09Å; K115-N120 PolarHBondContact O-ND2 2.85Å; K115-N120 PolarHBondContact O-OD1 2.82Å; I118-N120 PolarHBondContact O-N 2.77Å; N120-H123 PolarHBondContact O-N 3.36Å; N120-H124 PolarHBondContact O-N 3.42Å; N120-H124 VanDerWaalsContact O-N 3.12Å
121K93.8Very high93.3Very high42 Ų4249.9 Ų49.918%0.18325%0.254CS..Hα-helixtrans-67.3-40.9-179.9-178.961.6-163-173.20111.7L117 I118 F119 H123 H124 E125 L154 D157L117-K121 VanDerWaalsContact O-CB 3.27Å; L117-K121 WeakPolarHBondContact O-CB 3.4Å; I118-K121 PolarHBondContact O-N 3.28Å; F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 3.39Å; K121-H123 PolarHBondContact O-N 2.91Å; K121-H124 PolarHBondContact O-N 2.82Å; K121-E125 WeakPolarHBondContact CE-OE2 3.29Å; K121-E125 IonicContact NZ-OE2 3.15Å; K121-E125 PolarHBondContact NZ-OE2 2.96Å; K121-E125 WeakPolarHBondContact O-CB 3.32Å; K121-E125 PolarHBondContact O-N 3.31Å; K121-L154 HydrophobicContact CB-CD2 3.87Å; K121-L154 HydrophobicContact CG-CD2 3.5Å; K121-L154 VanDerWaalsContact CG-CD2 3.5Å; K121-D157 WeakPolarHBondContact CD-OD2 3.49Å; K121-D157 WeakPolarHBondContact CE-OD2 3.4Å; K121-D157 IonicContact NZ-OD2 3.68Å; K121-D157 PolarHBondContact NZ-OD2 3.48Å
122I95.5Very high93.6Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-61.6-43.9176-72.4162.9000111.6I73 I91 V93 I118 F119 H124 E125 L126 L150 L154I73-I122 HydrophobicContact CD1-CB 4.15Å; I73-I122 HydrophobicContact CD1-CD1 3.28Å; I73-I122 HydrophobicContact CD1-CG1 4.3Å; I73-I122 HydrophobicContact CD1-CG2 4.06Å; I91-I122 HydrophobicContact CD1-CG2 3.83Å; V93-I122 HydrophobicContact CG2-CD1 3.56Å; I118-I122 HydrophobicContact CG2-CD1 3.54Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.24Å; F119-I122 PolarHBondContact O-N 3.47Å; I122-H124 VanDerWaalsContact C-N 3.29Å; I122-H124 PolarHBondContact O-N 3.43Å; I122-E125 PolarHBondContact O-N 3.32Å; I122-L126 HydrophobicContact CG2-CD1 3.66Å; I122-L126 HydrophobicContact CG2-CG 4.29Å; I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.49Å; I122-L150 HydrophobicContact CG1-CD1 4.12Å; I122-L150 HydrophobicContact CG1-CD2 4.23Å; I122-L150 HydrophobicContact CG1-CG 4.41Å; I122-L150 HydrophobicContact CG2-CD2 4.14Å; I122-L154 HydrophobicContact CD1-CD1 3.99Å; I122-L154 HydrophobicContact CG1-CD1 3.82Å; I122-L154 HydrophobicContact CG1-CD2 3.93Å; I122-L154 HydrophobicContact CG1-CG 4.37Å
123H94.3Very high93.9Very high60 Ų6050.1 Ų50.128%0.27825%0.254SS..Hα-helixtrans-60.1-41.3176.1-74.380.4000111.6F119 N120 K121 N127F119-H123 PolarHBondContact O-N 3.37Å; F119-H123 PolarHBondContact O-ND1 3.44Å; N120-H123 PolarHBondContact O-N 3.36Å; K121-H123 PolarHBondContact O-N 2.91Å; H123-N127 VanDerWaalsContact O-CB 3.32Å; H123-N127 WeakPolarHBondContact O-CB 3.5Å; H123-N127 PolarHBondContact O-N 3.38Å; H123-N127 PolarHBondContact O-ND2 2.93Å
124H93.9Very high94Very high110 Ų11052.4 Ų52.451%0.50927%0.268SS..Hα-helixtrans-67.2-50.6178.1179.869.1000112N120 K121 I122 L126 N127 Q128N120-H124 PolarHBondContact O-N 3.42Å; N120-H124 VanDerWaalsContact O-N 3.12Å; K121-H124 PolarHBondContact O-N 2.82Å; I122-H124 VanDerWaalsContact C-N 3.29Å; I122-H124 PolarHBondContact O-N 3.43Å; H124-L126 PolarHBondContact O-N 2.9Å; H124-N127 PolarHBondContact O-N 3.36Å; H124-Q128 PolarHBondContact O-N 2.89Å
125E94.7Very high94.1Very high47 Ų4752.2 Ų52.222%0.2227%0.268CS..Hα-helixtrans-65.3-41.7-175.5-160.368-153.100111.8K121 I122 Q128 F129 L150 A153K121-E125 WeakPolarHBondContact CE-OE2 3.29Å; K121-E125 IonicContact NZ-OE2 3.15Å; K121-E125 PolarHBondContact NZ-OE2 2.96Å; K121-E125 WeakPolarHBondContact O-CB 3.32Å; K121-E125 PolarHBondContact O-N 3.31Å; I122-E125 PolarHBondContact O-N 3.32Å; E125-Q128 PolarHBondContact O-N 2.92Å; E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.25Å; E125-L150 HydrophobicContact CB-CD1 3.87Å; E125-L150 HydrophobicContact CG-CD1 3.98Å; E125-A153 HydrophobicContact CG-CB 3.88Å
126L94.4Very high94.1Very high3 Ų347 Ų472%0.01625%0.245CC..Hα-helixtrans-65.9-44.4176-76.3174.3000112.1V76 C78 F88 I91 I122 H124 Q128 F129 C130 I146 L150V76-L126 HydrophobicContact CG1-CD1 4.14Å; C78-L126 PolarHBondContact SG-O 3Å; F88-L126 HydrophobicContact CD2-CD1 4.37Å; F88-L126 HydrophobicContact CE2-CD2 4.49Å; I91-L126 HydrophobicContact CD1-CD1 3.29Å; I122-L126 HydrophobicContact CG2-CD1 3.66Å; I122-L126 HydrophobicContact CG2-CG 4.29Å; I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.49Å; H124-L126 PolarHBondContact O-N 2.9Å; L126-Q128 VanDerWaalsContact C-N 3.26Å; L126-Q128 PolarHBondContact O-N 2.88Å; L126-F129 WeakPolarHBondContact O-CB 3.27Å; L126-F129 PolarHBondContact O-N 3.47Å; L126-F129 VanDerWaalsContact O-N 3.14Å; L126-C130 PolarHBondContact O-N 2.9Å; L126-C130 PolarHBondContact O-SG 3.34Å; L126-C130 VanDerWaalsContact O-SG 3.33Å; L126-I146 HydrophobicContact CD2-CG2 3.88Å; L126-L150 HydrophobicContact CD2-CD2 4.43Å; L126-L150 HydrophobicContact CG-CD2 4.44Å
127N93.5Very high94.2Very high61 Ų6146.7 Ų46.733%0.32624%0.239SC..Hα-helixtrans-61.5-38.7177.3-83.3-54.1000111.6P77 C78 H123 H124 S131P77-N127 PolarHBondContact O-OD1 3.18Å; C78-N127 WeakPolarHBondContact CA-OD1 3.32Å; H123-N127 VanDerWaalsContact O-CB 3.32Å; H123-N127 WeakPolarHBondContact O-CB 3.5Å; H123-N127 PolarHBondContact O-N 3.38Å; H123-N127 PolarHBondContact O-ND2 2.93Å; H124-N127 PolarHBondContact O-N 3.36Å; N127-S131 VanDerWaalsContact O-CB 3.26Å; N127-S131 WeakPolarHBondContact O-CB 3.45Å; N127-S131 PolarHBondContact O-N 3.34Å; N127-S131 PolarHBondContact O-OG 2.86Å
128Q93.6Very high94.3Very high103 Ų10346.2 Ų46.248%0.48124%0.236SC..Hα-helixtrans-62-46.8172.9-176.6174-12.300111.2H124 E125 L126 S131H124-Q128 PolarHBondContact O-N 2.89Å; E125-Q128 PolarHBondContact O-N 2.92Å; L126-Q128 VanDerWaalsContact C-N 3.26Å; L126-Q128 PolarHBondContact O-N 2.88Å; Q128-S131 PolarHBondContact O-N 2.94Å; Q128-S131 PolarHBondContact O-OG 3.26Å
129F94.3Very high94.2Very high33 Ų3349.3 Ų49.315%0.14525%0.249CC..Hα-helixtrans-60.6-47177.3-177-92.8000112.7E125 L126 S131 V132 H133 V138 L142 I146E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.25Å; L126-F129 WeakPolarHBondContact O-CB 3.27Å; L126-F129 PolarHBondContact O-N 3.47Å; L126-F129 VanDerWaalsContact O-N 3.14Å; F129-S131 VanDerWaalsContact C-N 3.34Å; F129-S131 PolarHBondContact O-N 3.26Å; F129-V132 WeakPolarHBondContact O-CG2 3.31Å; F129-H133 AromaticContact CD2-CE1 3.81Å; F129-H133 AromaticContact CD2-ND1 3.88Å; F129-H133 AromaticContact CE1-ND1 3.87Å; F129-H133 AromaticContact CE2-CE1 3.46Å; F129-H133 VanDerWaalsContact CE2-CE1 3.46Å; F129-H133 WeakPolarHBondContact CE2-CE1 3.42Å; F129-H133 AromaticContact CE2-ND1 3.72Å; F129-H133 AromaticContact CZ-CE1 3.78Å; F129-H133 AromaticContact CZ-ND1 3.71Å; F129-H133 PolarHBondContact O-ND1 2.72Å; F129-V138 HydrophobicContact CD1-CG2 4.48Å; F129-V138 HydrophobicContact CE1-CG2 4.08Å; F129-L142 HydrophobicContact CZ-CB 4.09Å; F129-L142 HydrophobicContact CZ-CD1 4.23Å; F129-I146 HydrophobicContact CD1-CD1 4.32Å; F129-I146 HydrophobicContact CD1-CG1 4.17Å; F129-I146 HydrophobicContact CE1-CD1 3.7Å; F129-I146 HydrophobicContact CE1-CG1 3.52Å; F129-I146 HydrophobicContact CZ-CD1 4.35Å; F129-I146 HydrophobicContact CZ-CG1 3.74Å
130C95.1Very high94.1Very high0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-68.8-32.8179.3-61.70000112.3C78 G79 T80 S81 L126 V132 H133C78-C130 HydrophobicContact CB-CB 3.94Å; C78-C130 WeakPolarHBondContact CB-SG 3.39Å; C78-C130 WeakPolarHBondContact SG-CB 3.24Å; C78-C130 CovalentContact SG-SG 2.03Å; C78-C130 PolarHBondContact SG-SG 3.46Å; G79-C130 CarbonylContact O-C 3.48Å; G79-C130 WeakPolarHBondContact O-CB 3.3Å; T80-C130 CarbonylContact C-O 3.6Å; T80-C130 VanDerWaalsContact CA-O 3.29Å; T80-C130 WeakPolarHBondContact CA-O 3.47Å; S81-C130 PolarHBondContact N-O 3.4Å; S81-C130 VanDerWaalsContact N-O 3.15Å; L126-C130 PolarHBondContact O-N 2.9Å; L126-C130 PolarHBondContact O-SG 3.34Å; L126-C130 VanDerWaalsContact O-SG 3.33Å; C130-V132 PolarHBondContact O-N 2.86Å; C130-H133 PolarHBondContact O-N 2.91Å
131S95.8Very high94Very high66 Ų6651.4 Ų51.446%0.46226%0.258SS..Hα-helixtrans-63-26.4-177.170.40000113.7G79 S81 N127 Q128 F129G79-S131 PolarHBondContact O-N 2.91Å; S81-S131 VanDerWaalsContact CB-O 3.29Å; S81-S131 WeakPolarHBondContact CB-O 3.2Å; N127-S131 VanDerWaalsContact O-CB 3.26Å; N127-S131 WeakPolarHBondContact O-CB 3.45Å; N127-S131 PolarHBondContact O-N 3.34Å; N127-S131 PolarHBondContact O-OG 2.86Å; Q128-S131 PolarHBondContact O-N 2.94Å; Q128-S131 PolarHBondContact O-OG 3.26Å; F129-S131 VanDerWaalsContact C-N 3.34Å; F129-S131 PolarHBondContact O-N 3.26Å
132V95.6Very high94Very high98 Ų9851.3 Ų51.359%0.59426%0.259SS*.Hα-helixtrans-96.7-14.7179.7-57.80000113.4F129 C130F129-V132 WeakPolarHBondContact O-CG2 3.31Å; C130-V132 PolarHBondContact O-N 2.86Å
133H95.6Very high93.7Very high44 Ų4453.2 Ų53.220%0.20427%0.268CS..SBendtrans-113.7150.3-176.5-63.4103.1000112.8S81 F129 C130 E137 V138 L142S81-H133 WeakPolarHBondContact CB-O 3.23Å; S81-H133 PolarHBondContact N-O 3.26Å; S81-H133 PolarHBondContact OG-O 2.85Å; S81-H133 VanDerWaalsContact OG-O 3.05Å; F129-H133 AromaticContact CD2-CE1 3.81Å; F129-H133 AromaticContact CD2-ND1 3.88Å; F129-H133 AromaticContact CE1-ND1 3.87Å; F129-H133 AromaticContact CE2-CE1 3.46Å; F129-H133 VanDerWaalsContact CE2-CE1 3.46Å; F129-H133 WeakPolarHBondContact CE2-CE1 3.42Å; F129-H133 AromaticContact CE2-ND1 3.72Å; F129-H133 AromaticContact CZ-CE1 3.78Å; F129-H133 AromaticContact CZ-ND1 3.71Å; F129-H133 PolarHBondContact O-ND1 2.72Å; C130-H133 PolarHBondContact O-N 2.91Å; H133-E137 WeakPolarHBondContact CA-OE2 3.38Å; H133-E137 HydrophobicContact CB-CB 4.27Å; H133-E137 IonicContact CD2-OE2 2.69Å; H133-V138 HydrophobicContact CB-CG2 3.56Å; H133-L142 WeakPolarHBondContact CD2-CD1 3.35Å; H133-L142 WeakPolarHBondContact NE2-CD1 3.34Å
134T95.9Very high93.5Very high52 Ų5255.6 Ų55.632%0.31928%0.282SS..  trans-78164.9176.368.80000111.9S81 Q136 E137 V138S81-T134 PolarHBondContact OG-N 3.22Å; T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 3.23Å; T134-E137 PolarHBondContact N-OE2 3.32Å; T134-E137 PolarHBondContact O-N 2.89Å; T134-E137 WeakPolarHBondContact OG1-CG 3.49Å; T134-E137 PolarHBondContact OG1-N 3.28Å; T134-E137 PolarHBondContact OG1-OE2 2.86Å; T134-V138 WeakPolarHBondContact O-CG2 3.46Å; T134-V138 PolarHBondContact O-N 3.47Å; T134-V138 VanDerWaalsContact O-N 3.08Å
135L93.8Very high93.4Very high20 Ų2053.7 Ų53.711%0.10528%0.275CS..Hα-helixtrans-54.6-41.8174.8177.464.7000112.6T80 V84 I86 Y139 I177 I181 F185T80-L135 HydrophobicContact CG2-CB 4.39Å; T80-L135 HydrophobicContact CG2-CD1 4.47Å; V84-L135 HydrophobicContact CG1-CD2 4.43Å; I86-L135 HydrophobicContact CG2-CD1 3.39Å; L135-Y139 WeakPolarHBondContact O-CB 3.39Å; L135-Y139 PolarHBondContact O-N 3.05Å; L135-I177 HydrophobicContact CD1-CG1 4.36Å; L135-I177 HydrophobicContact CD2-CG2 4.47Å; L135-I181 HydrophobicContact CD2-CD1 3.86Å; L135-F185 HydrophobicContact CD2-CD2 4.09Å; L135-F185 HydrophobicContact CD2-CE2 4.23Å; L135-F185 HydrophobicContact CG-CE2 4.37Å
136Q92.1Very high93.3Very high26 Ų2651.6 Ų51.612%0.12127%0.266CS..Hα-helixtrans-64.2-47.5-179.1-179.67011.600111.4T134 Y139 I140 E189T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 3.23Å; Q136-Y139 PolarHBondContact O-N 3.35Å; Q136-I140 PolarHBondContact O-N 3.45Å; Q136-E189 PolarHBondContact NE2-OE1 3.32Å; Q136-E189 PolarHBondContact NE2-OE2 2.95Å; Q136-E189 PolarHBondContact OE1-OE1 3.48Å
137E93.4Very high93.3Very high60 Ų6053.2 Ų53.228%0.2827%0.274SS..Iπ-helixtrans-61.8-48.3-179.4-72164.2174.200110.7H133 T134 Y139 E141 L142H133-E137 WeakPolarHBondContact CA-OE2 3.38Å; H133-E137 HydrophobicContact CB-CB 4.27Å; H133-E137 IonicContact CD2-OE2 2.69Å; T134-E137 PolarHBondContact N-OE2 3.32Å; T134-E137 PolarHBondContact O-N 2.89Å; T134-E137 WeakPolarHBondContact OG1-CG 3.49Å; T134-E137 PolarHBondContact OG1-N 3.28Å; T134-E137 PolarHBondContact OG1-OE2 2.86Å; E137-Y139 VanDerWaalsContact C-N 3.35Å; E137-Y139 PolarHBondContact O-N 2.96Å; E137-E141 PolarHBondContact O-N 3.44Å; E137-E141 VanDerWaalsContact O-N 3.08Å; E137-L142 HydrophobicContact CB-CD1 4.17Å; E137-L142 PolarHBondContact O-N 3.48Å
138V93.9Very high93.2Very high0 Ų055.6 Ų55.60%028%0.283CS..Iπ-helixtrans-66.2-35.8-179.4178.40000112.2I86 F88 F129 H133 T134 I146I86-V138 HydrophobicContact CD1-CG1 3.93Å; F88-V138 HydrophobicContact CZ-CG1 4.14Å; F129-V138 HydrophobicContact CD1-CG2 4.48Å; F129-V138 HydrophobicContact CE1-CG2 4.08Å; H133-V138 HydrophobicContact CB-CG2 3.56Å; T134-V138 WeakPolarHBondContact O-CG2 3.46Å; T134-V138 PolarHBondContact O-N 3.47Å; T134-V138 VanDerWaalsContact O-N 3.08Å; V138-I146 HydrophobicContact CG1-CD1 4.12Å
139Y93Very high93.2Very high65 Ų6554.5 Ų54.526%0.25528%0.281SS..Iπ-helixtrans-84.6-33.1-174.4-170.1-101.7000113.9L135 Q136 E137 K174 P175 I177 F185L135-Y139 WeakPolarHBondContact O-CB 3.39Å; L135-Y139 PolarHBondContact O-N 3.05Å; Q136-Y139 PolarHBondContact O-N 3.35Å; E137-Y139 VanDerWaalsContact C-N 3.35Å; E137-Y139 PolarHBondContact O-N 2.96Å; Y139-K174 HydrophobicContact CE2-CB 4.42Å; Y139-P175 HydrophobicContact CD2-CG 4.02Å; Y139-P175 WeakPolarHBondContact CE2-O 3.29Å; Y139-I177 HydrophobicContact CD1-CD1 4.41Å; Y139-I177 HydrophobicContact CD2-CD1 4.06Å; Y139-I177 HydrophobicContact CD2-CG1 4.29Å; Y139-I177 HydrophobicContact CE1-CD1 4.41Å; Y139-I177 HydrophobicContact CE2-CD1 4.05Å; Y139-I177 HydrophobicContact CE2-CG1 4.25Å; Y139-I177 HydrophobicContact CG-CD1 4.26Å; Y139-F185 HydrophobicContact CD1-CE1 4.15Å; Y139-F185 HydrophobicContact CD1-CZ 4.37Å; Y139-F185 HydrophobicContact CE1-CE1 4.45Å
140I90.8Very high93.3Very high81 Ų8153.2 Ų53.242%0.41528%0.275SS..Iπ-helixtrans-117.8-55.1-172.4-53.9-172.7000111.8Q136 F185Q136-I140 PolarHBondContact O-N 3.45Å; I140-F185 HydrophobicContact CD1-CZ 4.28Å
141E91.1Very high93.3Very high108 Ų10856.2 Ų56.251%0.50529%0.288SS..Iπ-helixtrans-84.2-35.7-162.9-58.7-177.6179.300114E137E137-E141 PolarHBondContact O-N 3.44Å; E137-E141 VanDerWaalsContact O-N 3.08Å
142L92.9Very high93.3Very high41 Ų4157.2 Ų57.222%0.21529%0.292CS..SBendtrans-116.26-172.4-61.4175000113.4F129 H133 E137 D144 I145 I146F129-L142 HydrophobicContact CZ-CB 4.09Å; F129-L142 HydrophobicContact CZ-CD1 4.23Å; H133-L142 WeakPolarHBondContact CD2-CD1 3.35Å; H133-L142 WeakPolarHBondContact NE2-CD1 3.34Å; E137-L142 HydrophobicContact CB-CD1 4.17Å; E137-L142 PolarHBondContact O-N 3.48Å; L142-D144 VanDerWaalsContact C-N 3.28Å; L142-D144 PolarHBondContact O-N 2.92Å; L142-I145 HydrophobicContact CD2-CD1 3.8Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.13Å; L142-I146 WeakPolarHBondContact O-CG1 3.41Å; L142-I146 PolarHBondContact O-N 3.32Å
143F90.4Very high93.3Very high39 Ų3953.3 Ų53.317%0.17127%0.27CS..Hα-helixtrans-60.1-38.7-173.9174.6-102.4000112.8I145 I146 V172 K174F143-I145 VanDerWaalsContact C-N 3.3Å; F143-I145 PolarHBondContact O-N 3.45Å; F143-I146 HydrophobicContact CD2-CD1 4.46Å; F143-I146 PolarHBondContact O-N 2.77Å; F143-V172 WeakPolarHBondContact CZ-O 3.44Å; F143-K174 HydrophobicContact CD1-CG 4.39Å; F143-K174 HydrophobicContact CD2-CG 4.3Å; F143-K174 HydrophobicContact CE1-CG 3.92Å; F143-K174 HydrophobicContact CE2-CB 4.34Å; F143-K174 HydrophobicContact CE2-CG 3.84Å; F143-K174 HydrophobicContact CZ-CB 4.42Å; F143-K174 HydrophobicContact CZ-CG 3.61Å
144D88.9Confident93.3Very high110 Ų11051.3 Ų51.359%0.58826%0.261SS*.Hα-helixtrans-67.2-28.8178.359.8-32.7000113.4L142L142-D144 VanDerWaalsContact C-N 3.28Å; L142-D144 PolarHBondContact O-N 2.92Å
145I91.9Very high93.3Very high71 Ų7150.6 Ų50.636%0.36425%0.254SS..Hα-helixtrans-83.5-21.7-177.6-60.2164.9000111.6L142 F143 D147 E148 N149L142-I145 HydrophobicContact CD2-CD1 3.8Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.13Å; F143-I145 VanDerWaalsContact C-N 3.3Å; F143-I145 PolarHBondContact O-N 3.45Å; I145-D147 VanDerWaalsContact C-N 3.3Å; I145-D147 PolarHBondContact O-N 2.9Å; I145-E148 PolarHBondContact O-N 3.34Å; I145-N149 WeakPolarHBondContact CG2-ND2 3.4Å; I145-N149 WeakPolarHBondContact O-CB 3.39Å; I145-N149 PolarHBondContact O-N 3.13Å
146I93.3Very high93.4Very high3 Ų356.9 Ų56.92%0.01528%0.28CS..Hα-helixtrans-57.7-43.7-178.3-66.5171000111.2L126 F129 V138 L142 F143 E148 N149 L150 V172L126-I146 HydrophobicContact CD2-CG2 3.88Å; F129-I146 HydrophobicContact CD1-CD1 4.32Å; F129-I146 HydrophobicContact CD1-CG1 4.17Å; F129-I146 HydrophobicContact CE1-CD1 3.7Å; F129-I146 HydrophobicContact CE1-CG1 3.52Å; F129-I146 HydrophobicContact CZ-CD1 4.35Å; F129-I146 HydrophobicContact CZ-CG1 3.74Å; V138-I146 HydrophobicContact CG1-CD1 4.12Å; L142-I146 WeakPolarHBondContact O-CG1 3.41Å; L142-I146 PolarHBondContact O-N 3.32Å; F143-I146 HydrophobicContact CD2-CD1 4.46Å; F143-I146 PolarHBondContact O-N 2.77Å; I146-E148 PolarHBondContact O-N 3.42Å; I146-N149 PolarHBondContact O-N 3.01Å; I146-L150 WeakPolarHBondContact O-CB 3.4Å; I146-L150 PolarHBondContact O-N 3.45Å; I146-V172 HydrophobicContact CG2-CB 4.46Å; I146-V172 HydrophobicContact CG2-CG1 4.49Å; I146-V172 HydrophobicContact CG2-CG2 4.05Å
147D93.8Very high93.5Very high36 Ų3658.2 Ų58.219%0.19329%0.288CS..Hα-helixtrans-58.6-49.7-177.4-73.6-11.4000111.6I145 L150 K151 V172I145-D147 VanDerWaalsContact C-N 3.3Å; I145-D147 PolarHBondContact O-N 2.9Å; D147-L150 PolarHBondContact O-N 2.87Å; D147-K151 WeakPolarHBondContact O-CB 3.47Å; D147-K151 PolarHBondContact O-N 3.49Å; D147-V172 WeakPolarHBondContact OD1-CB 3.46Å; D147-V172 VanDerWaalsContact OD1-CG2 3.22Å; D147-V172 WeakPolarHBondContact OD1-CG2 3.37Å; D147-V172 PolarHBondContact OD1-N 3.47Å
148E93.1Very high93.5Very high111 Ų11155.5 Ų55.552%0.51928%0.276SS..Hα-helixtrans-71.8-38.9-178.5-72.7-58.8145.300112.7I145 I146 K151 T152I145-E148 PolarHBondContact O-N 3.34Å; I146-E148 PolarHBondContact O-N 3.42Å; E148-K151 PolarHBondContact O-N 3.16Å; E148-T152 WeakPolarHBondContact O-CB 3.16Å; E148-T152 PolarHBondContact O-N 2.92Å; E148-T152 PolarHBondContact O-OG1 3.18Å
149N93.6Very high93.6Very high81 Ų8160.5 Ų60.543%0.43330%0.303SS..Hα-helixtrans-62.1-45.5174.6-80.7-10.1000111.1I145 I146 T152 A153I145-N149 WeakPolarHBondContact CG2-ND2 3.4Å; I145-N149 WeakPolarHBondContact O-CB 3.39Å; I145-N149 PolarHBondContact O-N 3.13Å; I146-N149 PolarHBondContact O-N 3.01Å; N149-T152 PolarHBondContact O-N 2.79Å; N149-A153 WeakPolarHBondContact O-CB 3.44Å; N149-A153 PolarHBondContact O-N 3.4Å
150L94.9Very high93.6Very high5 Ų561.6 Ų61.63%0.02633%0.325CS..Hα-helixtrans-66.7-43-179.4-171.957000111.2I122 E125 L126 I146 D147 T152 A153 L154 V170 V172I122-L150 HydrophobicContact CG1-CD1 4.12Å; I122-L150 HydrophobicContact CG1-CD2 4.23Å; I122-L150 HydrophobicContact CG1-CG 4.41Å; I122-L150 HydrophobicContact CG2-CD2 4.14Å; E125-L150 HydrophobicContact CB-CD1 3.87Å; E125-L150 HydrophobicContact CG-CD1 3.98Å; L126-L150 HydrophobicContact CD2-CD2 4.43Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; I146-L150 WeakPolarHBondContact O-CB 3.4Å; I146-L150 PolarHBondContact O-N 3.45Å; D147-L150 PolarHBondContact O-N 2.87Å; L150-T152 VanDerWaalsContact C-N 3.35Å; L150-T152 PolarHBondContact O-N 2.89Å; L150-A153 PolarHBondContact O-N 2.91Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.29Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 HydrophobicContact CG-CG 4.48Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 2.78Å; L150-V170 HydrophobicContact CB-CG1 4.33Å; L150-V170 HydrophobicContact CD2-CG1 3.78Å; L150-V170 HydrophobicContact CG-CG1 4.13Å; L150-V172 HydrophobicContact CD2-CG2 4.12Å
151K95.4Very high93.7Very high63 Ų6362.3 Ų62.327%0.27433%0.328SS..Hα-helixtrans-56.3-48.5172.8176.6-179.5170.6176.10111.8D147 E148 L154 Q155 I167 Q168 V170D147-K151 WeakPolarHBondContact O-CB 3.47Å; D147-K151 PolarHBondContact O-N 3.49Å; E148-K151 PolarHBondContact O-N 3.16Å; K151-L154 PolarHBondContact O-N 3.2Å; K151-Q155 WeakPolarHBondContact O-CB 3.23Å; K151-Q155 PolarHBondContact O-N 3.43Å; K151-I167 HydrophobicContact CG-CG2 4.42Å; K151-Q168 VanDerWaalsContact CE-O 3.32Å; K151-Q168 WeakPolarHBondContact CE-O 3.47Å; K151-Q168 PolarHBondContact NZ-O 3.36Å; K151-V170 HydrophobicContact CB-CB 4.32Å; K151-V170 HydrophobicContact CB-CG2 3.88Å
152T95.9Very high93.8Very high87 Ų8757.2 Ų57.253%0.53430%0.304SS..Hα-helixtrans-66-43.8-177.6-580000111.5E148 N149 L150 K156E148-T152 WeakPolarHBondContact O-CB 3.16Å; E148-T152 PolarHBondContact O-N 2.92Å; E148-T152 PolarHBondContact O-OG1 3.18Å; N149-T152 PolarHBondContact O-N 2.79Å; L150-T152 VanDerWaalsContact C-N 3.35Å; L150-T152 PolarHBondContact O-N 2.89Å; T152-K156 VanDerWaalsContact O-CB 3.3Å; T152-K156 WeakPolarHBondContact O-CB 3.33Å; T152-K156 PolarHBondContact O-N 3.02Å
153A95.3Very high93.8Very high17 Ų1759.7 Ų59.714%0.1432%0.323CS..Hα-helixtrans-63.4-45.9177.500000111.9E125 N149 L150 K156 D157E125-A153 HydrophobicContact CG-CB 3.88Å; N149-A153 WeakPolarHBondContact O-CB 3.44Å; N149-A153 PolarHBondContact O-N 3.4Å; L150-A153 PolarHBondContact O-N 2.91Å; A153-K156 PolarHBondContact O-N 3.33Å; A153-D157 PolarHBondContact O-N 3.32Å
154L95.7Very high93.9Very high1 Ų159 Ų591%0.00533%0.326CS..Hα-helixtrans-61.6-49.2176.9-72169000111.6K121 I122 L150 K151 K156 D157 L158 I167 V170K121-L154 HydrophobicContact CB-CD2 3.87Å; K121-L154 HydrophobicContact CG-CD2 3.5Å; K121-L154 VanDerWaalsContact CG-CD2 3.5Å; I122-L154 HydrophobicContact CD1-CD1 3.99Å; I122-L154 HydrophobicContact CG1-CD1 3.82Å; I122-L154 HydrophobicContact CG1-CD2 3.93Å; I122-L154 HydrophobicContact CG1-CG 4.37Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.29Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 HydrophobicContact CG-CG 4.48Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 2.78Å; K151-L154 PolarHBondContact O-N 3.2Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 2.82Å; L154-D157 PolarHBondContact O-N 2.98Å; L154-L158 WeakPolarHBondContact O-CB 3.31Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.46Å; L154-I167 HydrophobicContact CB-CG1 4.26Å; L154-V170 HydrophobicContact CD1-CG2 4.15Å
155Q95.9Very high94.2Very high37 Ų3753.8 Ų53.817%0.17330%0.298CS..Hα-helixtrans-63.5-37.8-178.6-170.66156.700111.9K151 D157 L158 N159K151-Q155 WeakPolarHBondContact O-CB 3.23Å; K151-Q155 PolarHBondContact O-N 3.43Å; Q155-D157 PolarHBondContact O-N 3.2Å; Q155-L158 PolarHBondContact O-N 3.35Å; Q155-N159 PolarHBondContact NE2-OD1 2.8Å; Q155-N159 WeakPolarHBondContact O-CB 3.34Å; Q155-N159 PolarHBondContact O-N 3.45Å; Q155-N159 PolarHBondContact O-ND2 3.04Å; Q155-N159 PolarHBondContact O-OD1 3.18Å
156K95.8Very high94.3Very high152 Ų15252.4 Ų52.466%0.66129%0.294SS*.Hα-helixtrans-59.5-45.8177.5-178-176.3176.2-173.50111.8T152 A153 L154T152-K156 VanDerWaalsContact O-CB 3.3Å; T152-K156 WeakPolarHBondContact O-CB 3.33Å; T152-K156 PolarHBondContact O-N 3.02Å; A153-K156 PolarHBondContact O-N 3.33Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 2.82Å
157D94.1Very high94.5Very high54 Ų5452.7 Ų52.729%0.28930%0.295SS..Hα-helixtrans-72.3-39.9-179.7-74.2-0.9000111.4K121 A153 L154 Q155 N159 A160 M161K121-D157 WeakPolarHBondContact CD-OD2 3.49Å; K121-D157 WeakPolarHBondContact CE-OD2 3.4Å; K121-D157 IonicContact NZ-OD2 3.68Å; K121-D157 PolarHBondContact NZ-OD2 3.48Å; A153-D157 PolarHBondContact O-N 3.32Å; L154-D157 PolarHBondContact O-N 2.98Å; Q155-D157 PolarHBondContact O-N 3.2Å; D157-N159 VanDerWaalsContact C-N 3.3Å; D157-N159 PolarHBondContact O-N 2.94Å; D157-A160 PolarHBondContact O-N 3.48Å; D157-A160 VanDerWaalsContact O-N 3.1Å; D157-M161 WeakPolarHBondContact O-CB 3.29Å; D157-M161 PolarHBondContact O-N 3.18Å
158L94.7Very high94.5Very high4 Ų455 Ų552%0.02131%0.305CS..Hα-helixtrans-63-35.2177-70.5173.9000112.7L117 L154 Q155 A160 M161 A162 L165 I167L117-L158 HydrophobicContact CB-CD2 4.02Å; L117-L158 HydrophobicContact CD1-CD2 4.3Å; L154-L158 WeakPolarHBondContact O-CB 3.31Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.46Å; Q155-L158 PolarHBondContact O-N 3.35Å; L158-A160 PolarHBondContact O-N 2.67Å; L158-M161 PolarHBondContact O-N 3.25Å; L158-A162 HydrophobicContact CD2-CB 4.09Å; L158-A162 CarbonylContact O-C 3.59Å; L158-A162 WeakPolarHBondContact O-CA 3.45Å; L158-A162 PolarHBondContact O-N 3.14Å; L158-L165 HydrophobicContact CD1-CD2 4.31Å; L158-L165 HydrophobicContact CD1-CG 4.26Å; L158-L165 HydrophobicContact CD2-CD2 3.84Å; L158-L165 HydrophobicContact CD2-CG 4.44Å; L158-I167 HydrophobicContact CD1-CD1 3.69Å; L158-I167 HydrophobicContact CD1-CG1 3.5Å; L158-I167 VanDerWaalsContact CD1-CG1 3.5Å
159N94.9Very high94.7Very high105 Ų10552 Ų5256%0.56130%0.298SS*.Hα-helixtrans-59.9-30.6175-71.3-18.6000112.9Q155 D157Q155-N159 PolarHBondContact NE2-OD1 2.8Å; Q155-N159 WeakPolarHBondContact O-CB 3.34Å; Q155-N159 PolarHBondContact O-N 3.45Å; Q155-N159 PolarHBondContact O-ND2 3.04Å; Q155-N159 PolarHBondContact O-OD1 3.18Å; D157-N159 VanDerWaalsContact C-N 3.3Å; D157-N159 PolarHBondContact O-N 2.94Å
160A93.5Very high94.8Very high88 Ų8848.7 Ų48.773%0.72728%0.281SS*.Hα-helixtrans-90.8-40.6178.400000112.5D157 L158D157-A160 PolarHBondContact O-N 3.48Å; D157-A160 VanDerWaalsContact O-N 3.1Å; L158-A160 PolarHBondContact O-N 2.67Å
161M92.3Very high94.8Very high95 Ų9556.3 Ų56.347%0.46831%0.31SS..Hα-helixtrans-89-36.4-171.3-70.3-171.868.700114.3Y109 L117 D157 L158Y109-M161 HydrophobicContact CE1-CE 3.98Å; Y109-M161 WeakPolarHBondContact CE2-O 3.3Å; Y109-M161 WeakPolarHBondContact OH-CB 3.45Å; Y109-M161 PolarHBondContact OH-O 2.9Å; L117-M161 HydrophobicContact CD2-CE 4.03Å; D157-M161 WeakPolarHBondContact O-CB 3.29Å; D157-M161 PolarHBondContact O-N 3.18Å; L158-M161 PolarHBondContact O-N 3.25Å
162A93.1Very high94.8Very high1 Ų153.6 Ų53.61%0.00830%0.298CS..  trans-14568.9-165.900000110.7I105 Y109 L117 L158 G164 L165I105-A162 HydrophobicContact CD1-CB 3.49Å; I105-A162 VanDerWaalsContact CD1-CB 3.49Å; Y109-A162 HydrophobicContact CE2-CB 4.31Å; L117-A162 HydrophobicContact CD1-CB 3.7Å; L158-A162 HydrophobicContact CD2-CB 4.09Å; L158-A162 CarbonylContact O-C 3.59Å; L158-A162 WeakPolarHBondContact O-CA 3.45Å; L158-A162 PolarHBondContact O-N 3.14Å; A162-G164 PolarHBondContact O-N 2.88Å; A162-L165 HydrophobicContact CB-CB 4.49Å; A162-L165 PolarHBondContact O-N 3.33Å
163P93.8Very high94.7Very high93 Ų9351.6 Ų51.660%0.60429%0.286SS*.THydrogen-bonded Turntrans-61.3125.9-18026.8-34.2000110.1A101A101-P163 WeakPolarHBondContact CB-O 3.49Å
164G91.8Very high94.7Very high24 Ų2456.4 Ų56.425%0.24730%0.304CS..THydrogen-bonded Turntrans107.1-8.6-177.400000114.9V98 A162V98-G164 WeakPolarHBondContact CG2-O 3.39Å; V98-G164 PolarHBondContact N-O 3.1Å; A162-G164 PolarHBondContact O-N 2.88Å
165L95.2Very high94.6Very high1 Ų156.5 Ų56.51%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-95.1120.3165.8-175.758.9000109.6N95 L97 Y113 L117 I118 L158 A162N95-L165 HydrophobicContact CB-CD1 4.21Å; L97-L165 HydrophobicContact CB-CD1 4.14Å; L97-L165 HydrophobicContact CD1-CB 4.23Å; L97-L165 HydrophobicContact CD1-CD1 4.41Å; Y113-L165 HydrophobicContact CD2-CD2 3.92Å; Y113-L165 HydrophobicContact CE2-CD1 4.05Å; Y113-L165 HydrophobicContact CE2-CD2 3.82Å; L117-L165 HydrophobicContact CD1-CD2 4.17Å; I118-L165 HydrophobicContact CD1-CD2 4.38Å; L158-L165 HydrophobicContact CD1-CD2 4.31Å; L158-L165 HydrophobicContact CD1-CG 4.26Å; L158-L165 HydrophobicContact CD2-CD2 3.84Å; L158-L165 HydrophobicContact CD2-CG 4.44Å; A162-L165 HydrophobicContact CB-CB 4.49Å; A162-L165 PolarHBondContact O-N 3.33Å
166T95.4Very high94.5Very high43 Ų4361.4 Ų61.426%0.26433%0.325SS..EExtended strand (participates in β ladder)trans-119.2139.2-179.459.40000111.6N95 M96N95-T166 CarbonylContact C-O 3.54Å; N95-T166 VanDerWaalsContact CA-O 3.24Å; N95-T166 WeakPolarHBondContact CA-O 3.08Å; M96-T166 PolarHBondContact N-O 3.31Å; M96-T166 PolarHBondContact O-N 3.45Å; M96-T166 PolarHBondContact O-OG1 2.93Å
167I96.4Very high94.4Very high8 Ų854.9 Ų54.94%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-98.6119174.5-53.8-57.2000108.2V93 N95 I118 K151 L154 L158 V170V93-I167 HydrophobicContact CG1-CD1 3.84Å; V93-I167 HydrophobicContact CG1-CG2 3.96Å; N95-I167 HydrophobicContact CB-CD1 3.8Å; I118-I167 HydrophobicContact CD1-CD1 4.2Å; K151-I167 HydrophobicContact CG-CG2 4.42Å; L154-I167 HydrophobicContact CB-CG1 4.26Å; L158-I167 HydrophobicContact CD1-CD1 3.69Å; L158-I167 HydrophobicContact CD1-CG1 3.5Å; L158-I167 VanDerWaalsContact CD1-CG1 3.5Å; I167-V170 HydrophobicContact CG2-CG2 3.7Å
168Q94.8Very high94.4Very high86 Ų8654.4 Ų54.440%0.40230%0.297SS..EExtended strand (participates in β ladder)trans-84.4-49.6-179.3-60-65.7-500111.1L68 V94 K151L68-Q168 HydrophobicContact CD2-CG 3.64Å; V94-Q168 HydrophobicContact CB-CB 4.3Å; V94-Q168 HydrophobicContact CG1-CB 4.07Å; V94-Q168 HydrophobicContact CG1-CG 4.45Å; V94-Q168 PolarHBondContact O-N 2.92Å; K151-Q168 VanDerWaalsContact CE-O 3.32Å; K151-Q168 WeakPolarHBondContact CE-O 3.47Å; K151-Q168 PolarHBondContact NZ-O 3.36Å
169A95.6Very high94.3Very high46 Ų4660.6 Ų60.638%0.3833%0.326SS..EExtended strand (participates in β ladder)trans-150.7149.8-177.500000110.5V94V94-A169 HydrophobicContact CB-CB 4.38Å; V94-A169 HydrophobicContact CG2-CB 4.4Å; V94-A169 PolarHBondContact N-O 3.27Å
170V96.4Very high94.1Very high13 Ų1359.8 Ų59.88%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-125.8136.2171.4179.20000106.7I91 E92 V93 L150 K151 L154 I167 V172I91-V170 HydrophobicContact CG2-CG1 4.32Å; E92-V170 WeakPolarHBondContact O-CA 3.5Å; V93-V170 HydrophobicContact CG1-CG2 4.28Å; V93-V170 HydrophobicContact CG2-CG1 4.24Å; V93-V170 HydrophobicContact CG2-CG2 4.32Å; L150-V170 HydrophobicContact CB-CG1 4.33Å; L150-V170 HydrophobicContact CD2-CG1 3.78Å; L150-V170 HydrophobicContact CG-CG1 4.13Å; K151-V170 HydrophobicContact CB-CB 4.32Å; K151-V170 HydrophobicContact CB-CG2 3.88Å; L154-V170 HydrophobicContact CD1-CG2 4.15Å; I167-V170 HydrophobicContact CG2-CG2 3.7Å; V170-V172 HydrophobicContact CG1-CG2 4.31Å
171R95.3Very high94Very high165 Ų16558 Ų5862%0.62331%0.312SS*.EExtended strand (participates in β ladder)trans-131.5118.9176.5-175.5179.4-173.5176.42.8109.7I91 E92I91-R171 WeakPolarHBondContact CA-O 3.21Å; E92-R171 HydrophobicContact CB-CB 4.42Å; E92-R171 PolarHBondContact N-O 2.92Å; E92-R171 PolarHBondContact O-N 3.28Å
172V95.2Very high94Very high5 Ų557.8 Ų57.83%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-102.9135177.1-178.80000109.1F88 I91 F143 I146 D147 L150 V170F88-V172 HydrophobicContact CD1-CG1 3.32Å; F88-V172 HydrophobicContact CE1-CG1 3.53Å; F88-V172 HydrophobicContact CG-CG1 4.28Å; I91-V172 HydrophobicContact CD1-CG2 4.49Å; I91-V172 HydrophobicContact CG1-CG1 4.24Å; I91-V172 HydrophobicContact CG1-CG2 4.31Å; I91-V172 HydrophobicContact CG2-CG2 4.02Å; F143-V172 WeakPolarHBondContact CZ-O 3.44Å; I146-V172 HydrophobicContact CG2-CB 4.46Å; I146-V172 HydrophobicContact CG2-CG1 4.49Å; I146-V172 HydrophobicContact CG2-CG2 4.05Å; D147-V172 WeakPolarHBondContact OD1-CB 3.46Å; D147-V172 VanDerWaalsContact OD1-CG2 3.22Å; D147-V172 WeakPolarHBondContact OD1-CG2 3.37Å; D147-V172 PolarHBondContact OD1-N 3.47Å; L150-V172 HydrophobicContact CD2-CG2 4.12Å; V170-V172 HydrophobicContact CG1-CG2 4.31Å
173T94.3Very high94Very high45 Ų4566.6 Ų66.628%0.27634%0.339SS..PPolyproline II helixtrans-85.3157171.356.80000111F88 R90F88-T173 WeakPolarHBondContact CD1-O 3.32Å; R90-T173 HydrophobicContact CB-CG2 3.89Å; R90-T173 PolarHBondContact N-OG1 3.46Å; R90-T173 WeakPolarHBondContact O-CB 3.19Å; R90-T173 WeakPolarHBondContact O-CG2 3.4Å; R90-T173 PolarHBondContact O-N 2.84Å; R90-T173 PolarHBondContact O-OG1 3.29Å
174K93.6Very high93.9Very high119 Ų11967.4 Ų67.452%0.51734%0.338SS..PPolyproline II helixtrans-58.2136.6178.5-72.4-165.2173.7-162.40111.3Y139 F143Y139-K174 HydrophobicContact CE2-CB 4.42Å; F143-K174 HydrophobicContact CD1-CG 4.39Å; F143-K174 HydrophobicContact CD2-CG 4.3Å; F143-K174 HydrophobicContact CE1-CG 3.92Å; F143-K174 HydrophobicContact CE2-CB 4.34Å; F143-K174 HydrophobicContact CE2-CG 3.84Å; F143-K174 HydrophobicContact CZ-CB 4.42Å; F143-K174 HydrophobicContact CZ-CG 3.61Å
175P93.9Very high93.9Very high3 Ų367.7 Ų67.72%0.01933%0.333CS..EExtended strand (participates in β ladder)trans-71.9143.5-178.326.9-29.6000111I86 Y87 F88 Y139I86-P175 HydrophobicContact CB-CB 4.25Å; I86-P175 HydrophobicContact CD1-CB 3.94Å; I86-P175 HydrophobicContact CD1-CG 4.02Å; I86-P175 HydrophobicContact CG1-CB 4.35Å; Y87-P175 CarbonylContact O-C 3.59Å; Y87-P175 VanDerWaalsContact O-CA 3.32Å; Y87-P175 WeakPolarHBondContact O-CA 3.49Å; F88-P175 HydrophobicContact CD1-CB 3.86Å; F88-P175 HydrophobicContact CD1-CG 4.33Å; F88-P175 HydrophobicContact CD2-CB 4.4Å; F88-P175 HydrophobicContact CE1-CB 3.77Å; F88-P175 HydrophobicContact CE1-CG 3.8Å; F88-P175 HydrophobicContact CE2-CB 4.31Å; F88-P175 HydrophobicContact CG-CB 4.19Å; F88-P175 HydrophobicContact CZ-CB 4.01Å; F88-P175 HydrophobicContact CZ-CG 4.05Å; Y139-P175 HydrophobicContact CD2-CG 4.02Å; Y139-P175 WeakPolarHBondContact CE2-O 3.29Å
176K94Very high93.8Very high140 Ų14073 Ų7361%0.60936%0.357SS*.EExtended strand (participates in β ladder)trans-80.1120.5176-170.5175.8-178.4177.90110Y87Y87-K176 PolarHBondContact N-O 3.13Å; Y87-K176 PolarHBondContact O-N 3.44Å
177I94.1Very high93.7Very high14 Ų1476.4 Ų76.47%0.07237%0.374CS..PPolyproline II helixtrans-81.8134.5175.3-55.4179.4000109.3L135 Y139 I181 F185L135-I177 HydrophobicContact CD1-CG1 4.36Å; L135-I177 HydrophobicContact CD2-CG2 4.47Å; Y139-I177 HydrophobicContact CD1-CD1 4.41Å; Y139-I177 HydrophobicContact CD2-CD1 4.06Å; Y139-I177 HydrophobicContact CD2-CG1 4.29Å; Y139-I177 HydrophobicContact CE1-CD1 4.41Å; Y139-I177 HydrophobicContact CE2-CD1 4.05Å; Y139-I177 HydrophobicContact CE2-CG1 4.25Å; Y139-I177 HydrophobicContact CG-CD1 4.26Å; I177-I181 HydrophobicContact CG2-CD1 3.67Å; I177-I181 HydrophobicContact CG2-CG1 3.56Å; I177-F185 HydrophobicContact CD1-CD1 4.03Å; I177-F185 HydrophobicContact CD1-CE1 4.11Å
178P93.9Very high93.5Very high45 Ų4580.2 Ų80.229%0.29239%0.392SS..PPolyproline II helixtrans-55.8139.9173.6-25.333.5000113M85 A180 I181 R182M85-P178 WeakPolarHBondContact O-CD 3.3Å; M85-P178 WeakPolarHBondContact O-CG 3.33Å; P178-A180 PolarHBondContact O-N 3.02Å; P178-A180 VanDerWaalsContact O-N 3.14Å; P178-I181 HydrophobicContact CB-CG1 4.47Å; P178-I181 WeakPolarHBondContact O-CG1 3.43Å; P178-I181 PolarHBondContact O-N 2.72Å; P178-R182 PolarHBondContact O-N 3.27Å; P178-R182 VanDerWaalsContact O-N 3.13Å
179E91.8Very high93.4Very high133 Ų13377.7 Ų77.762%0.62138%0.38SS*.Hα-helixtrans-61.8-27.9-175.3-63-150.913600113.8I181 R182E179-I181 PolarHBondContact O-N 2.92Å; E179-R182 PolarHBondContact O-N 3Å; E179-R182 IonicContact OE1-CZ 2.82Å; E179-R182 IonicContact OE1-NH1 2.88Å; E179-R182 PolarHBondContact OE1-NH1 2.99Å; E179-R182 IonicContact OE1-NH2 3.27Å; E179-R182 PolarHBondContact OE1-NH2 2.93Å
180A91.3Very high93.3Very high89 Ų8978.2 Ų78.274%0.73639%0.385SS*.Hα-helixtrans-58.1-33.7178.800000113.1P178P178-A180 PolarHBondContact O-N 3.02Å; P178-A180 VanDerWaalsContact O-N 3.14Å
181I92.6Very high93.2Very high50 Ų5082.5 Ų82.526%0.25640%0.404SS..Hα-helixtrans-109.4-15.1-178.162169.5000113.1V84 L135 I177 P178 E179 R183 N184 F185V84-I181 HydrophobicContact CB-CD1 4.26Å; V84-I181 HydrophobicContact CG1-CD1 3.31Å; V84-I181 HydrophobicContact CG2-CD1 3.91Å; L135-I181 HydrophobicContact CD2-CD1 3.86Å; I177-I181 HydrophobicContact CG2-CD1 3.67Å; I177-I181 HydrophobicContact CG2-CG1 3.56Å; P178-I181 HydrophobicContact CB-CG1 4.47Å; P178-I181 WeakPolarHBondContact O-CG1 3.43Å; P178-I181 PolarHBondContact O-N 2.72Å; E179-I181 PolarHBondContact O-N 2.92Å; I181-R183 PolarHBondContact O-N 2.91Å; I181-N184 PolarHBondContact O-N 3.29Å; I181-N184 VanDerWaalsContact O-N 3.1Å; I181-F185 WeakPolarHBondContact O-CB 3.1Å; I181-F185 PolarHBondContact O-N 3.26Å
182R92.2Very high93.1Very high91 Ų9178.7 Ų78.734%0.34339%0.392SS..Hα-helixtrans-53.1-49.7-175.5-176.1172.873-148.3-6.2112.3P178 E179 N184 F185 E186P178-R182 PolarHBondContact O-N 3.27Å; P178-R182 VanDerWaalsContact O-N 3.13Å; E179-R182 PolarHBondContact O-N 3Å; E179-R182 IonicContact OE1-CZ 2.82Å; E179-R182 IonicContact OE1-NH1 2.88Å; E179-R182 PolarHBondContact OE1-NH1 2.99Å; E179-R182 IonicContact OE1-NH2 3.27Å; E179-R182 PolarHBondContact OE1-NH2 2.93Å; R182-N184 PolarHBondContact O-N 2.89Å; R182-F185 PolarHBondContact O-N 3.36Å; R182-E186 WeakPolarHBondContact CG-OE1 3.29Å; R182-E186 WeakPolarHBondContact O-CG 3.38Å; R182-E186 PolarHBondContact O-N 2.98Å
183R92.5Very high93Very high186 Ų18682 Ų8270%0.70241%0.412SS*.Hα-helixtrans-62.4-41.9179-68.6-176.2-179.6166.41.7112.5I181 E186 L187I181-R183 PolarHBondContact O-N 2.91Å; R183-E186 PolarHBondContact O-N 2.79Å; R183-L187 VanDerWaalsContact O-CG 3.31Å; R183-L187 WeakPolarHBondContact O-CG 3.19Å; R183-L187 PolarHBondContact O-N 3.06Å
184N91.8Very high93.1Very high110 Ų11087 Ų8759%0.58843%0.426SS*.Hα-helixtrans-68.7-37.7-179.8-69-14.8000111.5I181 R182 L187 M188I181-N184 PolarHBondContact O-N 3.29Å; I181-N184 VanDerWaalsContact O-N 3.1Å; R182-N184 PolarHBondContact O-N 2.89Å; N184-L187 PolarHBondContact O-N 3.2Å; N184-M188 VanDerWaalsContact O-CB 3.29Å; N184-M188 WeakPolarHBondContact O-CB 3.34Å; N184-M188 PolarHBondContact O-N 2.99Å
185F92.4Very high93.2Very high29 Ų2987.2 Ų87.213%0.12743%0.432CS..Hα-helixtrans-65.1-45.5175.9-175.9-97.8000111.6L135 Y139 I140 I177 I181 R182 L187 M188 E189L135-F185 HydrophobicContact CD2-CD2 4.09Å; L135-F185 HydrophobicContact CD2-CE2 4.23Å; L135-F185 HydrophobicContact CG-CE2 4.37Å; Y139-F185 HydrophobicContact CD1-CE1 4.15Å; Y139-F185 HydrophobicContact CD1-CZ 4.37Å; Y139-F185 HydrophobicContact CE1-CE1 4.45Å; I140-F185 HydrophobicContact CD1-CZ 4.28Å; I177-F185 HydrophobicContact CD1-CD1 4.03Å; I177-F185 HydrophobicContact CD1-CE1 4.11Å; I181-F185 WeakPolarHBondContact O-CB 3.1Å; I181-F185 PolarHBondContact O-N 3.26Å; R182-F185 PolarHBondContact O-N 3.36Å; F185-L187 PolarHBondContact O-N 2.95Å; F185-M188 HydrophobicContact CD2-CE 4.1Å; F185-M188 HydrophobicContact CE2-CE 4.18Å; F185-M188 PolarHBondContact O-N 2.82Å; F185-E189 HydrophobicContact CD1-CG 4.45Å; F185-E189 HydrophobicContact CE1-CG 4.07Å; F185-E189 HydrophobicContact CE2-CG 4.43Å; F185-E189 HydrophobicContact CZ-CG 4.07Å; F185-E189 PolarHBondContact O-N 3.29Å
186E92.2Very high93.3Very high112 Ų11292 Ų9252%0.52346%0.457SS..Hα-helixtrans-59.2-43.9174.9-72.6167.1-175.100112R182 R183 A190R182-E186 WeakPolarHBondContact CG-OE1 3.29Å; R182-E186 WeakPolarHBondContact O-CG 3.38Å; R182-E186 PolarHBondContact O-N 2.98Å; R183-E186 PolarHBondContact O-N 2.79Å; E186-A190 WeakPolarHBondContact O-CB 3.29Å; E186-A190 PolarHBondContact O-N 3.32Å
187L94.4Very high93.4Very high116 Ų11690.1 Ų90.161%0.60745%0.452SS*.Hα-helixtrans-65.2-42.2176.3-71.7172.4000112.3R183 N184 F185 A190 E191R183-L187 VanDerWaalsContact O-CG 3.31Å; R183-L187 WeakPolarHBondContact O-CG 3.19Å; R183-L187 PolarHBondContact O-N 3.06Å; N184-L187 PolarHBondContact O-N 3.2Å; F185-L187 PolarHBondContact O-N 2.95Å; L187-A190 PolarHBondContact O-N 3.13Å; L187-E191 PolarHBondContact O-N 2.87Å
188M91.6Very high93.6Very high88 Ų8892.3 Ų92.343%0.43347%0.466SS..Hα-helixtrans-64.9-45179.7-175.7-78.9-60.900111.4N184 F185 A190 E191 K192N184-M188 VanDerWaalsContact O-CB 3.29Å; N184-M188 WeakPolarHBondContact O-CB 3.34Å; N184-M188 PolarHBondContact O-N 2.99Å; F185-M188 HydrophobicContact CD2-CE 4.1Å; F185-M188 HydrophobicContact CE2-CE 4.18Å; F185-M188 PolarHBondContact O-N 2.82Å; M188-A190 VanDerWaalsContact C-N 3.32Å; M188-A190 PolarHBondContact O-N 3.4Å; M188-E191 PolarHBondContact O-N 3.29Å; M188-K192 WeakPolarHBondContact O-CB 3.47Å; M188-K192 PolarHBondContact O-N 3.21Å
189E91.7Very high93.7Very high33 Ų3392 Ų9215%0.15447%0.468CS..Hα-helixtrans-66.4-34.5176.5-74.9-64.3105.900112Q136 F185 K192 T193Q136-E189 PolarHBondContact NE2-OE1 3.32Å; Q136-E189 PolarHBondContact NE2-OE2 2.95Å; Q136-E189 PolarHBondContact OE1-OE1 3.48Å; F185-E189 HydrophobicContact CD1-CG 4.45Å; F185-E189 HydrophobicContact CE1-CG 4.07Å; F185-E189 HydrophobicContact CE2-CG 4.43Å; F185-E189 HydrophobicContact CZ-CG 4.07Å; F185-E189 PolarHBondContact O-N 3.29Å; E189-K192 WeakPolarHBondContact OE1-CD 3.4Å; E189-K192 IonicContact OE1-NZ 2.75Å; E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.39Å; E189-T193 PolarHBondContact O-N 3.34Å; E189-T193 PolarHBondContact O-OG1 3.08Å
190A94.3Very high93.9Very high57 Ų5791.1 Ų91.147%0.47146%0.464SS..Hα-helixtrans-64.1-44.8173.200000111.9E186 L187 M188 T193 R194E186-A190 WeakPolarHBondContact O-CB 3.29Å; E186-A190 PolarHBondContact O-N 3.32Å; L187-A190 PolarHBondContact O-N 3.13Å; M188-A190 VanDerWaalsContact C-N 3.32Å; M188-A190 PolarHBondContact O-N 3.4Å; A190-T193 PolarHBondContact O-N 3.4Å; A190-R194 WeakPolarHBondContact O-CB 3.22Å; A190-R194 PolarHBondContact O-N 3.03Å
191E94.9Very high94.1Very high102 Ų10290.4 Ų90.448%0.47745%0.45SS..Hα-helixtrans-68.2-40.3176.8-74.6-62.8155.900112.4L187 M188 T193 R194 L195L187-E191 PolarHBondContact O-N 2.87Å; M188-E191 PolarHBondContact O-N 3.29Å; E191-T193 VanDerWaalsContact C-N 3.34Å; E191-T193 PolarHBondContact O-N 3.43Å; E191-R194 WeakPolarHBondContact O-CB 3.34Å; E191-R194 PolarHBondContact O-N 3.08Å; E191-R194 IonicContact OE1-NH1 3.52Å; E191-R194 PolarHBondContact OE1-NH1 3.15Å; E191-R194 VanDerWaalsContact OE1-NH1 3.12Å; E191-R194 IonicContact OE2-CZ 3.06Å; E191-R194 IonicContact OE2-NE 2.8Å; E191-R194 IonicContact OE2-NH1 3.68Å; E191-R194 PolarHBondContact OE2-NH1 2.97Å; E191-L195 WeakPolarHBondContact O-CB 3.26Å; E191-L195 PolarHBondContact O-N 2.72Å
192K92.8Very high94.2Very high86 Ų8694 Ų9437%0.37447%0.466SS..Hα-helixtrans-59.2-46173.2-173.3-179.5178.9-175.40111.1M188 E189 R194 L195 L196M188-K192 WeakPolarHBondContact O-CB 3.47Å; M188-K192 PolarHBondContact O-N 3.21Å; E189-K192 WeakPolarHBondContact OE1-CD 3.4Å; E189-K192 IonicContact OE1-NZ 2.75Å; K192-R194 PolarHBondContact O-N 2.82Å; K192-L195 PolarHBondContact O-N 3.13Å; K192-L196 WeakPolarHBondContact O-CG 2.94Å; K192-L196 PolarHBondContact O-N 3.37Å
193T93.3Very high94.4Very high73 Ų7395.3 Ų95.345%0.44847%0.474SS..Hα-helixtrans-60.5-45.4175.6-56.90000111.1E189 A190 E191 L195 L196 I197E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.39Å; E189-T193 PolarHBondContact O-N 3.34Å; E189-T193 PolarHBondContact O-OG1 3.08Å; A190-T193 PolarHBondContact O-N 3.4Å; E191-T193 VanDerWaalsContact C-N 3.34Å; E191-T193 PolarHBondContact O-N 3.43Å; T193-L195 PolarHBondContact O-N 3.13Å; T193-L196 PolarHBondContact O-N 3.05Å; T193-I197 HydrophobicContact CG2-CD1 3.89Å; T193-I197 HydrophobicContact CG2-CG1 4.48Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.34Å; T193-I197 PolarHBondContact O-N 2.8Å
194R95.4Very high94.6Very high151 Ų15189.9 Ų89.957%0.5746%0.462SS*.Hα-helixtrans-61.8-40.3177.5-179.9-176.1148.8-167.6-2.7112.6A190 E191 K192 I197 T198A190-R194 WeakPolarHBondContact O-CB 3.22Å; A190-R194 PolarHBondContact O-N 3.03Å; E191-R194 WeakPolarHBondContact O-CB 3.34Å; E191-R194 PolarHBondContact O-N 3.08Å; E191-R194 IonicContact OE1-NH1 3.52Å; E191-R194 PolarHBondContact OE1-NH1 3.15Å; E191-R194 VanDerWaalsContact OE1-NH1 3.12Å; E191-R194 IonicContact OE2-CZ 3.06Å; E191-R194 IonicContact OE2-NE 2.8Å; E191-R194 IonicContact OE2-NH1 3.68Å; E191-R194 PolarHBondContact OE2-NH1 2.97Å; K192-R194 PolarHBondContact O-N 2.82Å; R194-I197 PolarHBondContact O-N 2.9Å; R194-T198 WeakPolarHBondContact O-CB 3.33Å; R194-T198 PolarHBondContact O-N 2.81Å; R194-T198 PolarHBondContact O-OG1 2.97Å
195L96.4Very high94.9Very high123 Ų12388.6 Ų88.664%0.64446%0.458SS*.Hα-helixtrans-63.6-45.9175.5-178.966.1000111.2E191 K192 T193 I197 T198 A199E191-L195 WeakPolarHBondContact O-CB 3.26Å; E191-L195 PolarHBondContact O-N 2.72Å; K192-L195 PolarHBondContact O-N 3.13Å; T193-L195 PolarHBondContact O-N 3.13Å; L195-I197 PolarHBondContact O-N 3.48Å; L195-T198 PolarHBondContact O-N 2.96Å; L195-A199 WeakPolarHBondContact O-CB 3.34Å; L195-A199 PolarHBondContact O-N 2.64Å
196L95.1Very high95Very high104 Ų10493.2 Ų93.255%0.54548%0.48SS..Hα-helixtrans-61-43.7176.7-70.8172.4000111.7K192 T193 A199 Q200K192-L196 WeakPolarHBondContact O-CG 2.94Å; K192-L196 PolarHBondContact O-N 3.37Å; T193-L196 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 2.73Å; L196-Q200 VanDerWaalsContact O-CG 3.3Å; L196-Q200 WeakPolarHBondContact O-CG 3.32Å; L196-Q200 PolarHBondContact O-N 2.98Å
197I97.4Very high95.2Very high100 Ų10094.7 Ų94.751%0.51348%0.484SS..Hα-helixtrans-60.5-50175.1-68.4165.7000110T193 R194 L195 A199 Q200 T201T193-I197 HydrophobicContact CG2-CD1 3.89Å; T193-I197 HydrophobicContact CG2-CG1 4.48Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.34Å; T193-I197 PolarHBondContact O-N 2.8Å; R194-I197 PolarHBondContact O-N 2.9Å; L195-I197 PolarHBondContact O-N 3.48Å; I197-A199 VanDerWaalsContact C-N 3.31Å; I197-A199 PolarHBondContact O-N 3.4Å; I197-Q200 PolarHBondContact O-N 3.06Å; I197-Q200 VanDerWaalsContact O-N 3.13Å; I197-T201 WeakPolarHBondContact O-CB 3.5Å; I197-T201 PolarHBondContact O-N 2.8Å; I197-T201 PolarHBondContact O-OG1 3.19Å
198T96.9Very high95.2Very high60 Ų6095 Ų9537%0.36848%0.482SS..Hα-helixtrans-59-43.1-179.4-54.70000111.4R194 L195 T201 Q202R194-T198 WeakPolarHBondContact O-CB 3.33Å; R194-T198 PolarHBondContact O-N 2.81Å; R194-T198 PolarHBondContact O-OG1 2.97Å; L195-T198 PolarHBondContact O-N 2.96Å; T198-T201 PolarHBondContact O-N 3.33Å; T198-Q202 WeakPolarHBondContact O-CB 3.36Å; T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.41Å; T198-Q202 PolarHBondContact O-N 3.34Å
199A97Very high95.4Very high39 Ų3992.7 Ų92.732%0.32248%0.478SS..Hα-helixtrans-64.7-39.2177.200000112.5L195 L196 I197 K203L195-A199 WeakPolarHBondContact O-CB 3.34Å; L195-A199 PolarHBondContact O-N 2.64Å; L196-A199 PolarHBondContact O-N 2.73Å; I197-A199 VanDerWaalsContact C-N 3.31Å; I197-A199 PolarHBondContact O-N 3.4Å; A199-K203 WeakPolarHBondContact O-CG 3.45Å; A199-K203 PolarHBondContact O-N 2.03Å
200Q95.6Very high95.5Very high114 Ų11495.6 Ų95.653%0.53349%0.491SS..Hα-helixtrans-69.3-41.9174.7-68.2-66.1-6.200111.6L196 I197 Q202 K203 V204L196-Q200 VanDerWaalsContact O-CG 3.3Å; L196-Q200 WeakPolarHBondContact O-CG 3.32Å; L196-Q200 PolarHBondContact O-N 2.98Å; I197-Q200 PolarHBondContact O-N 3.06Å; I197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-Q202 VanDerWaalsContact C-N 3.33Å; Q200-Q202 PolarHBondContact O-N 3.2Å; Q200-K203 WeakPolarHBondContact O-CB 3.46Å; Q200-K203 PolarHBondContact O-N 3.35Å; Q200-V204 WeakPolarHBondContact O-CG2 3.23Å; Q200-V204 PolarHBondContact O-N 2.94Å
201T95.8Very high95.5Very high75 Ų7597.3 Ų97.346%0.4650%0.496SS..Hα-helixtrans-60.7-42.5175-57.70000111.3I197 T198 K203 V204 V205I197-T201 WeakPolarHBondContact O-CB 3.5Å; I197-T201 PolarHBondContact O-N 2.8Å; I197-T201 PolarHBondContact O-OG1 3.19Å; T198-T201 PolarHBondContact O-N 3.33Å; T201-K203 VanDerWaalsContact C-N 3.33Å; T201-K203 PolarHBondContact O-N 3.48Å; T201-V204 PolarHBondContact O-N 3.22Å; T201-V204 VanDerWaalsContact O-N 3.16Å; T201-V205 HydrophobicContact CG2-CG2 4.44Å; T201-V205 WeakPolarHBondContact O-CG2 3.22Å; T201-V205 PolarHBondContact O-N 2.8Å
202Q95.1Very high95.5Very high126 Ų12699.1 Ų99.159%0.58950%0.504SS*.Hα-helixtrans-58.5-44.4174.4-76.4173.2-300111.8T198 Q200 V204 V205 E206T198-Q202 WeakPolarHBondContact O-CB 3.36Å; T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.41Å; T198-Q202 PolarHBondContact O-N 3.34Å; Q200-Q202 VanDerWaalsContact C-N 3.33Å; Q200-Q202 PolarHBondContact O-N 3.2Å; Q202-V204 VanDerWaalsContact C-N 3.32Å; Q202-V204 PolarHBondContact O-N 3.33Å; Q202-V205 PolarHBondContact O-N 3.37Å; Q202-E206 WeakPolarHBondContact O-CB 3.15Å; Q202-E206 PolarHBondContact O-N 3.36Å
203K96.5Very high95.6Very high117 Ų117103.9 Ų103.951%0.50952%0.52SS..Hα-helixtrans-63.5-36.9175.2-73.2177.5-179.7178.50112.9A199 Q200 T201 K207A199-K203 WeakPolarHBondContact O-CG 3.45Å; A199-K203 PolarHBondContact O-N 2.03Å; Q200-K203 WeakPolarHBondContact O-CB 3.46Å; Q200-K203 PolarHBondContact O-N 3.35Å; T201-K203 VanDerWaalsContact C-N 3.33Å; T201-K203 PolarHBondContact O-N 3.48Å; K203-K207 WeakPolarHBondContact O-CB 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.44Å; K203-K207 PolarHBondContact O-N 3.11Å
204V96.9Very high95.6Very high73 Ų73106.5 Ų106.544%0.44253%0.525SS..Hα-helixtrans-65.4-48.5175.6171.50000110Q200 T201 Q202 E206 K207 E208Q200-V204 WeakPolarHBondContact O-CG2 3.23Å; Q200-V204 PolarHBondContact O-N 2.94Å; T201-V204 PolarHBondContact O-N 3.22Å; T201-V204 VanDerWaalsContact O-N 3.16Å; Q202-V204 VanDerWaalsContact C-N 3.32Å; Q202-V204 PolarHBondContact O-N 3.33Å; V204-E206 VanDerWaalsContact C-N 3.33Å; V204-E206 PolarHBondContact O-N 3.32Å; V204-K207 PolarHBondContact O-N 2.81Å; V204-E208 HydrophobicContact CG1-CG 4.2Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 WeakPolarHBondContact O-CG 3.25Å; V204-E208 PolarHBondContact O-N 3.14Å
205V96.9Very high95.6Very high83 Ų83105.9 Ų105.950%0.50353%0.527SS..Hα-helixtrans-60.6-41.6178172.60000111.6T201 Q202 E208 A209T201-V205 HydrophobicContact CG2-CG2 4.44Å; T201-V205 WeakPolarHBondContact O-CG2 3.22Å; T201-V205 PolarHBondContact O-N 2.8Å; Q202-V205 PolarHBondContact O-N 3.37Å; V205-E208 PolarHBondContact O-N 2.79Å; V205-A209 WeakPolarHBondContact O-CB 3.44Å; V205-A209 PolarHBondContact O-N 2.84Å
206E95.5Very high95.5Very high126 Ų126102.7 Ų102.759%0.58952%0.518SS*.Hα-helixtrans-60.8-47.5175.5-175.9178.5-167.800111.5Q202 V204 A209 E210Q202-E206 WeakPolarHBondContact O-CB 3.15Å; Q202-E206 PolarHBondContact O-N 3.36Å; V204-E206 VanDerWaalsContact C-N 3.33Å; V204-E206 PolarHBondContact O-N 3.32Å; E206-A209 PolarHBondContact O-N 2.87Å; E206-E210 PolarHBondContact O-N 3.13Å
207K95.8Very high95.6Very high143 Ų143102.6 Ų102.662%0.62252%0.517SS*.Hα-helixtrans-65.7-38.9176.7-76.2-169.8175.6-1730112.7K203 V204 E210 T211K203-K207 WeakPolarHBondContact O-CB 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.44Å; K203-K207 PolarHBondContact O-N 3.11Å; V204-K207 PolarHBondContact O-N 2.81Å; K207-E210 PolarHBondContact O-N 3.33Å; K207-T211 WeakPolarHBondContact O-CB 3.07Å; K207-T211 PolarHBondContact O-N 3.48Å; K207-T211 PolarHBondContact O-OG1 3.47Å
208E94.3Very high95.4Very high121 Ų121103 Ų10357%0.56552%0.519SS*.Hα-helixtrans-63.2-43.3175.8-77.6178.2169.800111.1V204 V205 E210 T211 E212V204-E208 HydrophobicContact CG1-CG 4.2Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 WeakPolarHBondContact O-CG 3.25Å; V204-E208 PolarHBondContact O-N 3.14Å; V205-E208 PolarHBondContact O-N 2.79Å; E208-E210 PolarHBondContact O-N 2.82Å; E208-T211 CarbonylContact O-C 3.58Å; E208-T211 WeakPolarHBondContact O-CB 2.78Å; E208-T211 PolarHBondContact O-N 2.87Å; E208-E212 WeakPolarHBondContact O-CB 3.47Å; E208-E212 PolarHBondContact O-N 2.87Å
209A95.9Very high95.3Very high40 Ų40105.7 Ų105.733%0.33153%0.528SS..Hα-helixtrans-63.5-39.4174.800000112.1V205 E206 E212 R213V205-A209 WeakPolarHBondContact O-CB 3.44Å; V205-A209 PolarHBondContact O-N 2.84Å; E206-A209 PolarHBondContact O-N 2.87Å; A209-E212 PolarHBondContact O-N 2.8Å; A209-R213 WeakPolarHBondContact O-CG 3.07Å; A209-R213 PolarHBondContact O-N 2.98Å
210E94.7Very high95.2Very high94 Ų94106.9 Ų106.944%0.43954%0.537SS..Hα-helixtrans-64-42.7171.6-73.9-166.616100112.4E206 K207 E208 E212 R213 K214E206-E210 PolarHBondContact O-N 3.13Å; K207-E210 PolarHBondContact O-N 3.33Å; E208-E210 PolarHBondContact O-N 2.82Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-R213 PolarHBondContact O-N 3.21Å; E210-K214 WeakPolarHBondContact O-CG 3.3Å; E210-K214 PolarHBondContact O-N 3.27Å
211T93Very high95.1Very high93 Ų93106.9 Ų106.957%0.57154%0.537SS*.Hα-helixtrans-63.2-41.4176.6-66.90000110.8K207 E208 K214 K215K207-T211 WeakPolarHBondContact O-CB 3.07Å; K207-T211 PolarHBondContact O-N 3.48Å; K207-T211 PolarHBondContact O-OG1 3.47Å; E208-T211 CarbonylContact O-C 3.58Å; E208-T211 WeakPolarHBondContact O-CB 2.78Å; E208-T211 PolarHBondContact O-N 2.87Å; T211-K214 PolarHBondContact O-N 2.9Å; T211-K215 VanDerWaalsContact O-CB 3.25Å; T211-K215 WeakPolarHBondContact O-CB 3.48Å; T211-K215 PolarHBondContact O-N 3.43Å
212E95.1Very high95.1Very high141 Ų141110 Ų11066%0.65954%0.544SS*.Hα-helixtrans-64.5-43.9176.6-169.6177.7-165.500111.3E208 A209 E210 K214 K215 A216E208-E212 WeakPolarHBondContact O-CB 3.47Å; E208-E212 PolarHBondContact O-N 2.87Å; A209-E212 PolarHBondContact O-N 2.8Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.37Å; E212-K215 PolarHBondContact O-N 3.48Å; E212-A216 WeakPolarHBondContact O-CB 3.21Å; E212-A216 PolarHBondContact O-N 3.36Å
213R94.6Very high95.2Very high186 Ų186108.5 Ų108.570%0.70254%0.543SS*.Hα-helixtrans-58.6-47.1173-75.2176.5-178.6177.82.3112A209 E210 K215 A216 I217A209-R213 WeakPolarHBondContact O-CG 3.07Å; A209-R213 PolarHBondContact O-N 2.98Å; E210-R213 PolarHBondContact O-N 3.21Å; R213-K215 VanDerWaalsContact C-N 3.34Å; R213-A216 PolarHBondContact O-N 3.39Å; R213-I217 WeakPolarHBondContact O-CG1 3.07Å; R213-I217 PolarHBondContact O-N 3.12Å
214K94.4Very high95.1Very high127 Ų127105.8 Ų105.855%0.55254%0.543SS*.Hα-helixtrans-63.5-41.3177.1-73.8174.6-176.5167.60111.4E210 T211 E212 I217 I218E210-K214 WeakPolarHBondContact O-CG 3.3Å; E210-K214 PolarHBondContact O-N 3.27Å; T211-K214 PolarHBondContact O-N 2.9Å; E212-K214 PolarHBondContact O-N 3.37Å; K214-I217 PolarHBondContact O-N 2.93Å; K214-I218 WeakPolarHBondContact O-CB 3.41Å; K214-I218 VanDerWaalsContact O-CG1 3.23Å; K214-I218 WeakPolarHBondContact O-CG1 3.43Å; K214-I218 PolarHBondContact O-N 3.43Å
215K95.1Very high95Very high139 Ų139107.9 Ų107.960%0.60455%0.548SS*.Hα-helixtrans-61.5-44.6176.8-173.6-178.6176.4-171.90111.2T211 E212 R213 I217 I218 E219T211-K215 VanDerWaalsContact O-CB 3.25Å; T211-K215 WeakPolarHBondContact O-CB 3.48Å; T211-K215 PolarHBondContact O-N 3.43Å; E212-K215 PolarHBondContact O-N 3.48Å; R213-K215 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 2.75Å; K215-I218 PolarHBondContact O-N 3.37Å; K215-E219 VanDerWaalsContact O-CB 3.32Å; K215-E219 WeakPolarHBondContact O-CB 3.34Å; K215-E219 PolarHBondContact O-N 3.19Å
216A94.9Very high94.9Very high56 Ų56107.2 Ų107.246%0.46354%0.544SS..Hα-helixtrans-62.5-40.8176.500000112.2E212 R213 E219 A220E212-A216 WeakPolarHBondContact O-CB 3.21Å; E212-A216 PolarHBondContact O-N 3.36Å; R213-A216 PolarHBondContact O-N 3.39Å; A216-E219 PolarHBondContact O-N 2.89Å; A216-A220 WeakPolarHBondContact O-CB 3.13Å; A216-A220 PolarHBondContact O-N 3.38Å
217I95.4Very high94.8Very high101 Ų101103.6 Ų103.652%0.51854%0.535SS..Hα-helixtrans-63.7-46.6174.7-67.1166.1000110.8R213 K214 K215 E219 A220 Q221R213-I217 WeakPolarHBondContact O-CG1 3.07Å; R213-I217 PolarHBondContact O-N 3.12Å; K214-I217 PolarHBondContact O-N 2.93Å; K215-I217 PolarHBondContact O-N 2.75Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.45Å; I217-A220 PolarHBondContact O-N 2.96Å; I217-Q221 HydrophobicContact CG2-CG 4.47Å; I217-Q221 WeakPolarHBondContact O-CB 3.35Å; I217-Q221 WeakPolarHBondContact O-CG 3.37Å; I217-Q221 PolarHBondContact O-N 3.48Å
218I94.4Very high94.8Very high108 Ų108101.4 Ų101.455%0.55453%0.528SS*.Hα-helixtrans-62.4-40.4178.4-69.3165.2000110.6K214 K215 Q221 K222K214-I218 WeakPolarHBondContact O-CB 3.41Å; K214-I218 VanDerWaalsContact O-CG1 3.23Å; K214-I218 WeakPolarHBondContact O-CG1 3.43Å; K214-I218 PolarHBondContact O-N 3.43Å; K215-I218 PolarHBondContact O-N 3.37Å; I218-Q221 PolarHBondContact O-N 2.96Å; I218-K222 VanDerWaalsContact O-CB 3.27Å; I218-K222 WeakPolarHBondContact O-CB 3.47Å; I218-K222 PolarHBondContact O-N 3.49Å
219E95.2Very high94.8Very high118 Ų118100.8 Ų100.855%0.55153%0.527SS*.Hα-helixtrans-66.5-44.5177.7-174.7165.7-16400111.7K215 A216 I217 Q221 K222 V223K215-E219 VanDerWaalsContact O-CB 3.32Å; K215-E219 WeakPolarHBondContact O-CB 3.34Å; K215-E219 PolarHBondContact O-N 3.19Å; A216-E219 PolarHBondContact O-N 2.89Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.45Å; E219-Q221 PolarHBondContact O-N 2.83Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 3.02Å; E219-V223 WeakPolarHBondContact O-CG2 3.29Å; E219-V223 PolarHBondContact O-N 3.47Å
220A94.1Very high94.7Very high64 Ų64104.2 Ų104.253%0.52954%0.536SS..Hα-helixtrans-61-43.5173.900000111.9A216 I217 V223 A224A216-A220 WeakPolarHBondContact O-CB 3.13Å; A216-A220 PolarHBondContact O-N 3.38Å; I217-A220 PolarHBondContact O-N 2.96Å; A220-V223 PolarHBondContact O-N 2.87Å; A220-A224 WeakPolarHBondContact O-CB 2.94Å; A220-A224 PolarHBondContact O-N 3.42Å
221Q94.3Very high94.7Very high113 Ų113107.5 Ų107.553%0.52855%0.546SS..Hα-helixtrans-63.4-41.3174.8-75.9-178-12.300112.1I217 I218 E219 A224 Q225I217-Q221 HydrophobicContact CG2-CG 4.47Å; I217-Q221 WeakPolarHBondContact O-CB 3.35Å; I217-Q221 WeakPolarHBondContact O-CG 3.37Å; I217-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 PolarHBondContact O-N 2.96Å; E219-Q221 PolarHBondContact O-N 2.83Å; Q221-A224 PolarHBondContact O-N 3.26Å; Q221-Q225 WeakPolarHBondContact O-CG 3.38Å; Q221-Q225 PolarHBondContact O-N 2.82Å
222K96.1Very high94.8Very high141 Ų141108.7 Ų108.761%0.61354%0.543SS*.Hα-helixtrans-60.4-47.4175.8179.5-173.3174.8-172.60110.7I218 E219 A224 Q225 V226I218-K222 VanDerWaalsContact O-CB 3.27Å; I218-K222 WeakPolarHBondContact O-CB 3.47Å; I218-K222 PolarHBondContact O-N 3.49Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 3.02Å; K222-A224 VanDerWaalsContact C-N 3.34Å; K222-A224 PolarHBondContact O-N 3.47Å; K222-Q225 PolarHBondContact O-N 2.88Å; K222-V226 HydrophobicContact CG-CG2 4.49Å; K222-V226 WeakPolarHBondContact O-CB 3.27Å; K222-V226 VanDerWaalsContact O-CG2 3.27Å; K222-V226 WeakPolarHBondContact O-CG2 3.33Å; K222-V226 PolarHBondContact O-N 2.69Å
223V95.8Very high94.6Very high94 Ų94107.1 Ų107.157%0.5754%0.536SS*.Hα-helixtrans-62.1-42.9177.71730000110.8E219 A220 V226 A227E219-V223 WeakPolarHBondContact O-CG2 3.29Å; E219-V223 PolarHBondContact O-N 3.47Å; A220-V223 PolarHBondContact O-N 2.87Å; V223-V226 PolarHBondContact O-N 3.45Å; V223-A227 WeakPolarHBondContact O-CB 3.38Å; V223-A227 PolarHBondContact O-N 3.22Å
224A94.9Very high94.6Very high60 Ų60104.8 Ų104.850%0.49653%0.53SS..Hα-helixtrans-61-44.7176.200000112.4A220 Q221 K222 A227 E228A220-A224 WeakPolarHBondContact O-CB 2.94Å; A220-A224 PolarHBondContact O-N 3.42Å; Q221-A224 PolarHBondContact O-N 3.26Å; K222-A224 VanDerWaalsContact C-N 3.34Å; K222-A224 PolarHBondContact O-N 3.47Å; A224-A227 PolarHBondContact O-N 3.09Å; A224-E228 PolarHBondContact O-N 2.9Å
225Q94.2Very high94.6Very high118 Ų118101.2 Ų101.255%0.55152%0.519SS*.Hα-helixtrans-64.9-42.4176.3-75.3179.816.500112.3Q221 K222 A227 E228 I229Q221-Q225 WeakPolarHBondContact O-CG 3.38Å; Q221-Q225 PolarHBondContact O-N 2.82Å; K222-Q225 PolarHBondContact O-N 2.88Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.93Å; Q225-E228 PolarHBondContact O-N 3.44Å; Q225-I229 WeakPolarHBondContact O-CG1 3.39Å; Q225-I229 PolarHBondContact O-N 3.33Å
226V94.9Very high94.5Very high68 Ų68100.5 Ų100.541%0.41252%0.52SS..Hα-helixtrans-62.7-42.1176.3171.10000110.5K222 V223 I229 Q230K222-V226 HydrophobicContact CG-CG2 4.49Å; K222-V226 WeakPolarHBondContact O-CB 3.27Å; K222-V226 VanDerWaalsContact O-CG2 3.27Å; K222-V226 WeakPolarHBondContact O-CG2 3.33Å; K222-V226 PolarHBondContact O-N 2.69Å; V223-V226 PolarHBondContact O-N 3.45Å; V226-I229 PolarHBondContact O-N 3.21Å; V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.2Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3.24Å
227A94.4Very high94.4Very high50 Ų50102.3 Ų102.341%0.41352%0.518SS..Hα-helixtrans-63.2-40.4175.400000112V223 A224 Q225 Q230 Y231V223-A227 WeakPolarHBondContact O-CB 3.38Å; V223-A227 PolarHBondContact O-N 3.22Å; A224-A227 PolarHBondContact O-N 3.09Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.93Å; A227-Q230 PolarHBondContact O-N 2.97Å; A227-Y231 VanDerWaalsContact O-CB 3.29Å; A227-Y231 WeakPolarHBondContact O-CB 3.3Å; A227-Y231 PolarHBondContact O-N 2.81Å
228E96.1Very high94.3Very high98 Ų98103.6 Ų103.646%0.45852%0.52SS..Hα-helixtrans-62.6-43.9175.1-169.2-170.4162.500111.8A224 Q225 Y231 K232A224-E228 PolarHBondContact O-N 2.9Å; Q225-E228 PolarHBondContact O-N 3.44Å; E228-Y231 PolarHBondContact O-N 2.95Å; E228-K232 WeakPolarHBondContact O-CB 3.35Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.49Å; E228-K232 WeakPolarHBondContact OE1-CE 3.32Å; E228-K232 IonicContact OE1-NZ 3.95Å; E228-K232 PolarHBondContact OE1-NZ 2.92Å
229I93.8Very high94.3Very high108 Ų108103.6 Ų103.655%0.55452%0.518SS*.Hα-helixtrans-63.2-47.2176.6-68166.9000110.5Q225 V226 Y231 K232 Q233Q225-I229 WeakPolarHBondContact O-CG1 3.39Å; Q225-I229 PolarHBondContact O-N 3.33Å; V226-I229 PolarHBondContact O-N 3.21Å; I229-Y231 VanDerWaalsContact C-N 3.28Å; I229-Y231 PolarHBondContact O-N 3.5Å; I229-K232 PolarHBondContact O-N 2.82Å; I229-Q233 WeakPolarHBondContact O-CB 3.38Å; I229-Q233 PolarHBondContact O-N 2.95Å
230Q93.1Very high94.1Very high112 Ų112101.3 Ų101.352%0.52351%0.512SS..Hα-helixtrans-61.1-38.7176.6-75-176.9-7.300111.9V226 A227 Q233 K234V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.2Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3.24Å; A227-Q230 PolarHBondContact O-N 2.97Å; Q230-Q233 PolarHBondContact O-N 3.5Å; Q230-K234 WeakPolarHBondContact O-CG 3.28Å; Q230-K234 PolarHBondContact O-N 3.45Å
231Y95.3Very high94Very high163 Ų163103.1 Ų103.164%0.63951%0.51SS*.Hα-helixtrans-65.5-46.9175.8-173.9-98.6000111.4A227 E228 I229 Q233 K234 V235A227-Y231 VanDerWaalsContact O-CB 3.29Å; A227-Y231 WeakPolarHBondContact O-CB 3.3Å; A227-Y231 PolarHBondContact O-N 2.81Å; E228-Y231 PolarHBondContact O-N 2.95Å; I229-Y231 VanDerWaalsContact C-N 3.28Å; I229-Y231 PolarHBondContact O-N 3.5Å; Y231-Q233 VanDerWaalsContact C-N 3.3Å; Y231-Q233 PolarHBondContact O-N 3.02Å; Y231-K234 PolarHBondContact O-N 3.48Å; Y231-V235 HydrophobicContact CD1-CG2 4.03Å; Y231-V235 HydrophobicContact CE1-CG2 3.63Å; Y231-V235 WeakPolarHBondContact O-CG2 3.38Å; Y231-V235 PolarHBondContact O-N 2.71Å
232K94Very high93.9Very high118 Ų118104.2 Ų104.251%0.51351%0.513SS..Hα-helixtrans-58.2-42.1174.5-76.9177.6-176166.60111.9E228 I229 V235 M236E228-K232 WeakPolarHBondContact O-CB 3.35Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.49Å; E228-K232 WeakPolarHBondContact OE1-CE 3.32Å; E228-K232 IonicContact OE1-NZ 3.95Å; E228-K232 PolarHBondContact OE1-NZ 2.92Å; I229-K232 PolarHBondContact O-N 2.82Å; K232-V235 PolarHBondContact O-N 2.97Å; K232-M236 WeakPolarHBondContact O-CB 3.23Å; K232-M236 PolarHBondContact O-N 2.99Å
233Q92.3Very high93.8Very high108 Ų108103.4 Ų103.451%0.50551%0.509SS..Hα-helixtrans-60.3-47.8175.7-174.6-179-12.800111.1I229 Q230 Y231 V235 M236 E237I229-Q233 WeakPolarHBondContact O-CB 3.38Å; I229-Q233 PolarHBondContact O-N 2.95Å; Q230-Q233 PolarHBondContact O-N 3.5Å; Y231-Q233 VanDerWaalsContact C-N 3.3Å; Y231-Q233 PolarHBondContact O-N 3.02Å; Q233-V235 PolarHBondContact O-N 3.14Å; Q233-M236 PolarHBondContact O-N 3.23Å; Q233-E237 PolarHBondContact NE2-OE1 2.8Å; Q233-E237 VanDerWaalsContact NE2-OE1 3.09Å; Q233-E237 WeakPolarHBondContact O-CG 3.43Å; Q233-E237 PolarHBondContact O-N 3.01Å
234K94.4Very high93.6Very high136 Ų136102.9 Ų102.959%0.59150%0.502SS*.Hα-helixtrans-62.7-40.6177.2-76.5-178.3179.8179.30113.4Q230 Y231 E237 K238Q230-K234 WeakPolarHBondContact O-CG 3.28Å; Q230-K234 PolarHBondContact O-N 3.45Å; Y231-K234 PolarHBondContact O-N 3.48Å; K234-E237 PolarHBondContact O-N 3.29Å; K234-K238 WeakPolarHBondContact O-CG 3.5Å; K234-K238 PolarHBondContact O-N 3.27Å
235V94.1Very high93.4Very high53 Ų53102.7 Ų102.732%0.32150%0.497SS..Hα-helixtrans-62.9-45.9175.6172.20000109.9Y231 K232 Q233 E237 K238 E239Y231-V235 HydrophobicContact CD1-CG2 4.03Å; Y231-V235 HydrophobicContact CE1-CG2 3.63Å; Y231-V235 WeakPolarHBondContact O-CG2 3.38Å; Y231-V235 PolarHBondContact O-N 2.71Å; K232-V235 PolarHBondContact O-N 2.97Å; Q233-V235 PolarHBondContact O-N 3.14Å; V235-E237 VanDerWaalsContact C-N 3.34Å; V235-E237 PolarHBondContact O-N 3.43Å; V235-K238 PolarHBondContact O-N 3.25Å; V235-E239 HydrophobicContact CG1-CG 4.33Å; V235-E239 WeakPolarHBondContact O-CB 3.46Å; V235-E239 WeakPolarHBondContact O-CG 3.37Å; V235-E239 PolarHBondContact O-N 3.24Å
236M93.8Very high93.3Very high124 Ų124102 Ų10261%0.61149%0.494SS*.Hα-helixtrans-62.4-39.1177.2-173.5-177.9-63.600112.5K232 Q233 T240K232-M236 WeakPolarHBondContact O-CB 3.23Å; K232-M236 PolarHBondContact O-N 2.99Å; Q233-M236 PolarHBondContact O-N 3.23Å; M236-T240 VanDerWaalsContact O-CB 3.29Å; M236-T240 WeakPolarHBondContact O-CB 3.24Å; M236-T240 PolarHBondContact O-N 3Å; M236-T240 PolarHBondContact O-OG1 3.48Å
237E93Very high93.2Very high93 Ų93104.3 Ų104.344%0.43550%0.503SS..Hα-helixtrans-61-47.5173.4-76.6168.6-172.800110.8Q233 K234 V235 T240 E241Q233-E237 PolarHBondContact NE2-OE1 2.8Å; Q233-E237 VanDerWaalsContact NE2-OE1 3.09Å; Q233-E237 WeakPolarHBondContact O-CG 3.43Å; Q233-E237 PolarHBondContact O-N 3.01Å; K234-E237 PolarHBondContact O-N 3.29Å; V235-E237 VanDerWaalsContact C-N 3.34Å; V235-E237 PolarHBondContact O-N 3.43Å; E237-T240 WeakPolarHBondContact O-CB 3.5Å; E237-T240 PolarHBondContact O-N 3.31Å; E237-E241 WeakPolarHBondContact O-CG 3.11Å; E237-E241 PolarHBondContact O-N 3.12Å
238K93.3Very high93Very high129 Ų129107.9 Ų107.956%0.56151%0.511SS*.Hα-helixtrans-67.3-37.5178.3-71.2-72.4161-151.20113.4K234 V235 T240 E241 K242K234-K238 WeakPolarHBondContact O-CG 3.5Å; K234-K238 PolarHBondContact O-N 3.27Å; V235-K238 PolarHBondContact O-N 3.25Å; K238-T240 VanDerWaalsContact C-N 3.34Å; K238-E241 WeakPolarHBondContact CD-OE2 3.27Å; K238-E241 IonicContact NZ-OE1 3.28Å; K238-E241 PolarHBondContact NZ-OE1 3.43Å; K238-E241 IonicContact NZ-OE2 2.66Å; K238-E241 PolarHBondContact NZ-OE2 2.97Å; K238-E241 PolarHBondContact O-N 2.92Å; K238-K242 WeakPolarHBondContact O-CB 3.35Å; K238-K242 PolarHBondContact O-N 3.26Å
239E92.7Very high92.8Very high108 Ų108107.9 Ų107.951%0.50551%0.514SS..Hα-helixtrans-66.1-39173.1-75.9-176173.400111.7V235 K242 K243V235-E239 HydrophobicContact CG1-CG 4.33Å; V235-E239 WeakPolarHBondContact O-CB 3.46Å; V235-E239 WeakPolarHBondContact O-CG 3.37Å; V235-E239 PolarHBondContact O-N 3.24Å; E239-K242 PolarHBondContact O-N 2.89Å; E239-K243 WeakPolarHBondContact O-CG 3.48Å; E239-K243 PolarHBondContact O-N 3.36Å
240T91.2Very high92.7Very high70 Ų70105.4 Ų105.443%0.42951%0.51SS..Hα-helixtrans-64.3-46.2174.1-58.60000110.9M236 E237 K238 K242 K243 I244M236-T240 VanDerWaalsContact O-CB 3.29Å; M236-T240 WeakPolarHBondContact O-CB 3.24Å; M236-T240 PolarHBondContact O-N 3Å; M236-T240 PolarHBondContact O-OG1 3.48Å; E237-T240 WeakPolarHBondContact O-CB 3.5Å; E237-T240 PolarHBondContact O-N 3.31Å; K238-T240 VanDerWaalsContact C-N 3.34Å; T240-K242 VanDerWaalsContact C-N 3.32Å; T240-K242 PolarHBondContact O-N 2.95Å; T240-K243 PolarHBondContact O-N 3.43Å; T240-I244 HydrophobicContact CG2-CD1 3.93Å; T240-I244 HydrophobicContact CG2-CG1 4.47Å; T240-I244 VanDerWaalsContact O-CG1 3.32Å; T240-I244 WeakPolarHBondContact O-CG1 3.43Å; T240-I244 PolarHBondContact O-N 2.96Å
241E92.4Very high92.6Very high102 Ų102102.8 Ų102.848%0.47751%0.507SS..Hα-helixtrans-56.4-45.6173.7-78.4176.7-170.100111.6E237 K238 K243 I244 S245E237-E241 WeakPolarHBondContact O-CG 3.11Å; E237-E241 PolarHBondContact O-N 3.12Å; K238-E241 WeakPolarHBondContact CD-OE2 3.27Å; K238-E241 IonicContact NZ-OE1 3.28Å; K238-E241 PolarHBondContact NZ-OE1 3.43Å; K238-E241 IonicContact NZ-OE2 2.66Å; K238-E241 PolarHBondContact NZ-OE2 2.97Å; K238-E241 PolarHBondContact O-N 2.92Å; E241-K243 PolarHBondContact O-N 2.89Å; E241-I244 PolarHBondContact O-N 3.23Å; E241-S245 PolarHBondContact O-N 3.41Å
242K93.1Very high92.4Very high135 Ų135101.3 Ų101.359%0.58750%0.504SS*.Hα-helixtrans-59.8-46.1176.6-173.3-174.5177.6-160.30111.5K238 E239 T240 I244 S245 E246K238-K242 WeakPolarHBondContact O-CB 3.35Å; K238-K242 PolarHBondContact O-N 3.26Å; E239-K242 PolarHBondContact O-N 2.89Å; T240-K242 VanDerWaalsContact C-N 3.32Å; T240-K242 PolarHBondContact O-N 2.95Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 3.34Å; K242-S245 WeakPolarHBondContact O-CB 3.47Å; K242-S245 PolarHBondContact O-N 2.96Å; K242-E246 WeakPolarHBondContact CE-OE1 3.43Å; K242-E246 IonicContact NZ-OE1 3.68Å; K242-E246 WeakPolarHBondContact O-CG 3.49Å; K242-E246 PolarHBondContact O-N 3.22Å
243K92.8Very high92.3Very high125 Ų125101.7 Ų101.754%0.54351%0.511SS..Hα-helixtrans-62.4-39.7176.9-76.8175.6-177170.40112.3E239 T240 E241 E246 I247E239-K243 WeakPolarHBondContact O-CG 3.48Å; E239-K243 PolarHBondContact O-N 3.36Å; T240-K243 PolarHBondContact O-N 3.43Å; E241-K243 PolarHBondContact O-N 2.89Å; K243-E246 PolarHBondContact O-N 3.1Å; K243-I247 VanDerWaalsContact O-CG1 3.24Å; K243-I247 WeakPolarHBondContact O-CG1 3.12Å; K243-I247 PolarHBondContact O-N 3.14Å
244I91.4Very high92.3Very high83 Ų8399.5 Ų99.543%0.42651%0.512SS..Hα-helixtrans-62.3-47.1175.7-68.8165.7000109.6T240 E241 K242 E246 I247 E248T240-I244 HydrophobicContact CG2-CD1 3.93Å; T240-I244 HydrophobicContact CG2-CG1 4.47Å; T240-I244 VanDerWaalsContact O-CG1 3.32Å; T240-I244 WeakPolarHBondContact O-CG1 3.43Å; T240-I244 PolarHBondContact O-N 2.96Å; E241-I244 PolarHBondContact O-N 3.23Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 3.34Å; I244-E246 PolarHBondContact O-N 3.23Å; I244-I247 PolarHBondContact O-N 2.83Å; I244-I247 VanDerWaalsContact O-N 3.16Å; I244-E248 HydrophobicContact CG2-CG 4.29Å; I244-E248 WeakPolarHBondContact O-CB 3.2Å; I244-E248 WeakPolarHBondContact O-CG 3.35Å; I244-E248 PolarHBondContact O-N 2.9Å
245S91Very high92.1Very high55 Ų55102.2 Ų102.239%0.38552%0.518SS..Hα-helixtrans-58.6-44.4176-169.90000112.1E241 K242 I247 E248 D249E241-S245 PolarHBondContact O-N 3.41Å; K242-S245 WeakPolarHBondContact O-CB 3.47Å; K242-S245 PolarHBondContact O-N 2.96Å; S245-I247 VanDerWaalsContact C-N 3.33Å; S245-I247 PolarHBondContact O-N 3.43Å; S245-E248 PolarHBondContact O-N 3.38Å; S245-D249 WeakPolarHBondContact O-CB 3.34Å; S245-D249 VanDerWaalsContact O-CG 3.26Å; S245-D249 PolarHBondContact O-N 3.23Å
246E93.1Very high92Very high104 Ų104103.8 Ų103.849%0.48652%0.522SS..Hα-helixtrans-62.2-39.2176.7-73.1173.3-179.100112.1K242 K243 I244 A250K242-E246 WeakPolarHBondContact CE-OE1 3.43Å; K242-E246 IonicContact NZ-OE1 3.68Å; K242-E246 WeakPolarHBondContact O-CG 3.49Å; K242-E246 PolarHBondContact O-N 3.22Å; K243-E246 PolarHBondContact O-N 3.1Å; I244-E246 PolarHBondContact O-N 3.23Å; E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.4Å; E246-A250 PolarHBondContact O-N 3.03Å
247I92.1Very high91.9Very high117 Ų117104.5 Ų104.560%0.652%0.522SS*.Hα-helixtrans-68.2-42.2175.7-69.1166000110.8K243 I244 S245 A250 A251K243-I247 VanDerWaalsContact O-CG1 3.24Å; K243-I247 WeakPolarHBondContact O-CG1 3.12Å; K243-I247 PolarHBondContact O-N 3.14Å; I244-I247 PolarHBondContact O-N 2.83Å; I244-I247 VanDerWaalsContact O-N 3.16Å; S245-I247 VanDerWaalsContact C-N 3.33Å; S245-I247 PolarHBondContact O-N 3.43Å; I247-A250 PolarHBondContact O-N 2.83Å; I247-A251 WeakPolarHBondContact O-CB 3.36Å; I247-A251 PolarHBondContact O-N 2.78Å
248E89.8Confident91.8Very high125 Ų125102.8 Ų102.858%0.58452%0.523SS*.Hα-helixtrans-63.7-44177.2-75.8-179.7172.200111.5I244 S245 A251 F252I244-E248 HydrophobicContact CG2-CG 4.29Å; I244-E248 WeakPolarHBondContact O-CB 3.2Å; I244-E248 WeakPolarHBondContact O-CG 3.35Å; I244-E248 PolarHBondContact O-N 2.9Å; S245-E248 PolarHBondContact O-N 3.38Å; E248-A251 PolarHBondContact O-N 3.26Å; E248-F252 VanDerWaalsContact O-CB 3.3Å; E248-F252 WeakPolarHBondContact O-CB 3.4Å; E248-F252 PolarHBondContact O-N 3.4Å
249D92.3Very high91.8Very high97 Ų97102 Ų10252%0.51952%0.52SS..Hα-helixtrans-61.7-45175.3-72.9-24.4000111.2S245 F252 L253S245-D249 WeakPolarHBondContact O-CB 3.34Å; S245-D249 VanDerWaalsContact O-CG 3.26Å; S245-D249 PolarHBondContact O-N 3.23Å; D249-F252 PolarHBondContact O-N 3.2Å; D249-L253 WeakPolarHBondContact O-CB 3.38Å; D249-L253 PolarHBondContact O-N 2.87Å
250A92.3Very high91.7Very high57 Ų5799.4 Ų99.447%0.47152%0.517SS..Hα-helixtrans-64.6-41.1176.100000112.1E246 I247 A254E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.4Å; E246-A250 PolarHBondContact O-N 3.03Å; I247-A250 PolarHBondContact O-N 2.83Å; A250-A254 VanDerWaalsContact O-CB 3.3Å; A250-A254 WeakPolarHBondContact O-CB 3.47Å; A250-A254 PolarHBondContact O-N 2.96Å
251A89.6Confident91.7Very high56 Ų56100.4 Ų100.446%0.46352%0.52SS..Hα-helixtrans-66.4-38.7176.300000111.6I247 E248 A254 R255I247-A251 WeakPolarHBondContact O-CB 3.36Å; I247-A251 PolarHBondContact O-N 2.78Å; E248-A251 PolarHBondContact O-N 3.26Å; A251-A254 PolarHBondContact O-N 2.89Å; A251-R255 VanDerWaalsContact O-CB 3.23Å; A251-R255 WeakPolarHBondContact O-CB 3.49Å; A251-R255 PolarHBondContact O-N 2.92Å
252F92.3Very high91.6Very high133 Ų13398.1 Ų98.158%0.58352%0.519SS*.Hα-helixtrans-64.8-48.3175.3-177.2-97.3000111.1E248 D249 A254 R255 E256E248-F252 VanDerWaalsContact O-CB 3.3Å; E248-F252 WeakPolarHBondContact O-CB 3.4Å; E248-F252 PolarHBondContact O-N 3.4Å; D249-F252 PolarHBondContact O-N 3.2Å; F252-A254 VanDerWaalsContact C-N 3.35Å; F252-A254 PolarHBondContact O-N 2.91Å; F252-R255 PolarHBondContact O-N 2.8Å; F252-E256 HydrophobicContact CD1-CG 4.29Å; F252-E256 HydrophobicContact CE1-CG 3.79Å; F252-E256 HydrophobicContact CE2-CG 4.2Å; F252-E256 HydrophobicContact CZ-CG 3.74Å; F252-E256 PolarHBondContact O-N 3Å
253L92.4Very high91.5Very high126 Ų12697 Ų9766%0.6652%0.515SS*.Hα-helixtrans-57.2-46.6174-100.1163.3000112D249 R255 K257D249-L253 WeakPolarHBondContact O-CB 3.38Å; D249-L253 PolarHBondContact O-N 2.87Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 2.9Å; L253-K257 VanDerWaalsContact O-CB 3.28Å; L253-K257 WeakPolarHBondContact O-CB 3.35Å; L253-K257 PolarHBondContact O-N 2.97Å
254A90.8Very high91.4Very high62 Ų6299.5 Ų99.551%0.51252%0.523SS..Hα-helixtrans-62.9-39.4177.600000111.8A250 A251 F252 A258A250-A254 VanDerWaalsContact O-CB 3.3Å; A250-A254 WeakPolarHBondContact O-CB 3.47Å; A250-A254 PolarHBondContact O-N 2.96Å; A251-A254 PolarHBondContact O-N 2.89Å; F252-A254 VanDerWaalsContact C-N 3.35Å; F252-A254 PolarHBondContact O-N 2.91Å; A254-A258 VanDerWaalsContact O-CB 3.29Å; A254-A258 WeakPolarHBondContact O-CB 3.48Å; A254-A258 PolarHBondContact O-N 3.01Å
255R90.1Very high91.4Very high192 Ų192102.5 Ų102.573%0.72553%0.53SS*.Hα-helixtrans-67.2-47.5178.2-174.3178.4-175.7177.20.4112.3A251 F252 L253 K257 A258 K259A251-R255 VanDerWaalsContact O-CB 3.23Å; A251-R255 WeakPolarHBondContact O-CB 3.49Å; A251-R255 PolarHBondContact O-N 2.92Å; F252-R255 PolarHBondContact O-N 2.8Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 2.9Å; R255-K257 VanDerWaalsContact C-N 3.33Å; R255-A258 PolarHBondContact O-N 2.83Å; R255-K259 WeakPolarHBondContact O-CB 3.48Å; R255-K259 PolarHBondContact O-N 3.25Å
256E91.8Very high91.3Very high87 Ų87104.2 Ų104.241%0.40754%0.538SS..Hα-helixtrans-64.1-40.2177.5-75-61.5113.200111.2F252 K259 A260F252-E256 HydrophobicContact CD1-CG 4.29Å; F252-E256 HydrophobicContact CE1-CG 3.79Å; F252-E256 HydrophobicContact CE2-CG 4.2Å; F252-E256 HydrophobicContact CZ-CG 3.74Å; F252-E256 PolarHBondContact O-N 3Å; E256-K259 PolarHBondContact O-N 3.34Å; E256-A260 WeakPolarHBondContact O-CB 3.33Å; E256-A260 PolarHBondContact O-N 3.41Å
257K92.4Very high91.1Very high138 Ų138101.8 Ų101.860%0.654%0.536SS*.Hα-helixtrans-62.7-47.8173.8-173.4176.7-179.9179.50112.1L253 R255 K259 A260 D261L253-K257 VanDerWaalsContact O-CB 3.28Å; L253-K257 WeakPolarHBondContact O-CB 3.35Å; L253-K257 PolarHBondContact O-N 2.97Å; R255-K257 VanDerWaalsContact C-N 3.33Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 2.77Å; K257-A260 PolarHBondContact O-N 3.3Å; K257-D261 WeakPolarHBondContact O-CB 3.31Å; K257-D261 VanDerWaalsContact O-CG 3.28Å; K257-D261 PolarHBondContact O-N 3.45Å
258A90.9Very high91Very high57 Ų5798.3 Ų98.347%0.47152%0.524SS..Hα-helixtrans-61.7-36.2177.700000112.1A254 R255 A262A254-A258 VanDerWaalsContact O-CB 3.29Å; A254-A258 WeakPolarHBondContact O-CB 3.48Å; A254-A258 PolarHBondContact O-N 3.01Å; R255-A258 PolarHBondContact O-N 2.83Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.49Å
259K93.1Very high90.9Very high113 Ų11396.7 Ų96.749%0.49152%0.515SS..Hα-helixtrans-66.4-47.3174.7-170.6-175.1175.6-165.50111.5R255 E256 K257 A262 E263R255-K259 WeakPolarHBondContact O-CB 3.48Å; R255-K259 PolarHBondContact O-N 3.25Å; E256-K259 PolarHBondContact O-N 3.34Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 2.77Å; K259-A262 PolarHBondContact O-N 2.88Å; K259-E263 VanDerWaalsContact CE-OE1 3.3Å; K259-E263 WeakPolarHBondContact CE-OE1 3.36Å; K259-E263 WeakPolarHBondContact O-CB 3.47Å; K259-E263 WeakPolarHBondContact O-CG 3.47Å; K259-E263 PolarHBondContact O-N 3.4Å
260A90.8Very high90.6Very high53 Ų5395 Ų9544%0.43851%0.511SS..Hα-helixtrans-61.7-42.7176.200000112.1E256 K257 E263 Y264E256-A260 WeakPolarHBondContact O-CB 3.33Å; E256-A260 PolarHBondContact O-N 3.41Å; K257-A260 PolarHBondContact O-N 3.3Å; A260-E263 PolarHBondContact O-N 3.33Å; A260-Y264 WeakPolarHBondContact O-CB 3.4Å; A260-Y264 PolarHBondContact O-N 2.96Å
261D92Very high90.2Very high91 Ų9195 Ų9549%0.48751%0.511SS..Hα-helixtrans-64.7-40.3176.2-72.1-20.3000111.4K257 Y265K257-D261 WeakPolarHBondContact O-CB 3.31Å; K257-D261 VanDerWaalsContact O-CG 3.28Å; K257-D261 PolarHBondContact O-N 3.45Å; D261-Y265 WeakPolarHBondContact O-CB 3.49Å; D261-Y265 PolarHBondContact O-N 3.12Å
262A89.4Confident90Very high55 Ų5597.2 Ų97.246%0.45551%0.512SS..Hα-helixtrans-64.9-46.3175.200000111.7A258 K259 Y265 T266A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.49Å; K259-A262 PolarHBondContact O-N 2.88Å; A262-Y265 PolarHBondContact O-N 2.89Å; A262-T266 PolarHBondContact O-N 3.37Å; A262-T266 PolarHBondContact O-OG1 3.2Å
263E90.8Very high89.5Confident111 Ų11193 Ų9352%0.51950%0.499SS..Hα-helixtrans-58.7-47.1175.4-76.2176.1-169.600110.9K259 A260 Y265 T266 A267K259-E263 VanDerWaalsContact CE-OE1 3.3Å; K259-E263 WeakPolarHBondContact CE-OE1 3.36Å; K259-E263 WeakPolarHBondContact O-CB 3.47Å; K259-E263 WeakPolarHBondContact O-CG 3.47Å; K259-E263 PolarHBondContact O-N 3.4Å; A260-E263 PolarHBondContact O-N 3.33Å; E263-Y265 PolarHBondContact O-N 3.28Å; E263-T266 VanDerWaalsContact CA-OG1 3.31Å; E263-T266 WeakPolarHBondContact CA-OG1 3.37Å; E263-T266 PolarHBondContact O-N 3.48Å; E263-T266 PolarHBondContact O-OG1 2.96Å; E263-A267 WeakPolarHBondContact O-CB 3.26Å; E263-A267 PolarHBondContact O-N 3Å
264Y91.3Very high88.9Confident177 Ų17791.3 Ų91.369%0.69449%0.491SS*.Hα-helixtrans-59.3-45.7174.6178-97.6000112.1A260 A267 A268A260-Y264 WeakPolarHBondContact O-CB 3.4Å; A260-Y264 PolarHBondContact O-N 2.96Å; Y264-A267 PolarHBondContact O-N 3.3Å; Y264-A268 VanDerWaalsContact O-CB 3.29Å; Y264-A268 WeakPolarHBondContact O-CB 3.45Å; Y264-A268 PolarHBondContact O-N 3.44Å
265Y91.2Very high88.3Confident146 Ų14698 Ų9857%0.57350%0.503SS*.Hα-helixtrans-63.3-45178.3-175-94.4000111.9D261 A262 E263 A268 K269D261-Y265 WeakPolarHBondContact O-CB 3.49Å; D261-Y265 PolarHBondContact O-N 3.12Å; A262-Y265 PolarHBondContact O-N 2.89Å; E263-Y265 PolarHBondContact O-N 3.28Å; Y265-A268 PolarHBondContact O-N 3.45Å; Y265-K269 HydrophobicContact CD1-CG 4.17Å; Y265-K269 HydrophobicContact CE1-CG 3.72Å; Y265-K269 HydrophobicContact CE2-CG 4.26Å; Y265-K269 WeakPolarHBondContact O-CB 3.49Å; Y265-K269 WeakPolarHBondContact O-CG 3.41Å; Y265-K269 PolarHBondContact O-N 2.61Å; Y265-K269 WeakPolarHBondContact OH-CE 3.39Å
266T89.6Confident87.7Confident92 Ų9295.3 Ų95.356%0.56450%0.502SS*.Hα-helixtrans-61.4-43.6174.538.10000112A262 E263 S270A262-T266 PolarHBondContact O-N 3.37Å; A262-T266 PolarHBondContact O-OG1 3.2Å; E263-T266 VanDerWaalsContact CA-OG1 3.31Å; E263-T266 WeakPolarHBondContact CA-OG1 3.37Å; E263-T266 PolarHBondContact O-N 3.48Å; E263-T266 PolarHBondContact O-OG1 2.96Å; T266-S270 VanDerWaalsContact O-CB 3.28Å; T266-S270 WeakPolarHBondContact O-CB 3.31Å; T266-S270 PolarHBondContact O-N 3.35Å; T266-S270 PolarHBondContact O-OG 3.16Å
267A88.2Confident86.8Confident53 Ų5395.2 Ų95.244%0.43850%0.5SS..Hα-helixtrans-63.2-47177.200000111.2E263 Y264 K269 S270 A271E263-A267 WeakPolarHBondContact O-CB 3.26Å; E263-A267 PolarHBondContact O-N 3Å; Y264-A267 PolarHBondContact O-N 3.3Å; A267-K269 PolarHBondContact O-N 3.37Å; A267-S270 PolarHBondContact O-N 3.47Å; A267-S270 PolarHBondContact O-OG 3Å; A267-A271 WeakPolarHBondContact O-CB 3.29Å; A267-A271 PolarHBondContact O-N 2.95Å
268A89.4Confident85.7Confident43 Ų4394.3 Ų94.336%0.35550%0.501SS..Hα-helixtrans-61.7-45.4178.100000112.3Y264 Y265 A271 E272Y264-A268 VanDerWaalsContact O-CB 3.29Å; Y264-A268 WeakPolarHBondContact O-CB 3.45Å; Y264-A268 PolarHBondContact O-N 3.44Å; Y265-A268 PolarHBondContact O-N 3.45Å; A268-A271 PolarHBondContact O-N 2.88Å; A268-E272 PolarHBondContact O-N 3.26Å
269K88.8Confident85Confident92 Ų9294.4 Ų94.440%0.450%0.496SS..Hα-helixtrans-67.4-35.7176.5-76-69.2169.6-160.90112.7Y265 A267 E272 S273Y265-K269 HydrophobicContact CD1-CG 4.17Å; Y265-K269 HydrophobicContact CE1-CG 3.72Å; Y265-K269 HydrophobicContact CE2-CG 4.26Å; Y265-K269 WeakPolarHBondContact O-CB 3.49Å; Y265-K269 WeakPolarHBondContact O-CG 3.41Å; Y265-K269 PolarHBondContact O-N 2.61Å; Y265-K269 WeakPolarHBondContact OH-CE 3.39Å; A267-K269 PolarHBondContact O-N 3.37Å; K269-E272 IonicContact NZ-OE2 3.93Å; K269-E272 PolarHBondContact NZ-OE2 3.31Å; K269-E272 PolarHBondContact O-N 3.15Å; K269-S273 VanDerWaalsContact O-CB 3.27Å; K269-S273 WeakPolarHBondContact O-CB 3.44Å; K269-S273 PolarHBondContact O-N 2.98Å
270S86.1Confident84.1Confident60 Ų6093.2 Ų93.242%0.4250%0.5SS..Hα-helixtrans-64.3-41172.777.40000111.6T266 A267 S273 N274T266-S270 VanDerWaalsContact O-CB 3.28Å; T266-S270 WeakPolarHBondContact O-CB 3.31Å; T266-S270 PolarHBondContact O-N 3.35Å; T266-S270 PolarHBondContact O-OG 3.16Å; A267-S270 PolarHBondContact O-N 3.47Å; A267-S270 PolarHBondContact O-OG 3Å; S270-S273 PolarHBondContact O-N 3.06Å; S270-N274 WeakPolarHBondContact O-CB 3.37Å; S270-N274 PolarHBondContact O-N 2.96Å; S270-N274 PolarHBondContact O-ND2 3.46Å; S270-N274 PolarHBondContact O-OD1 2.97Å
271A83.6Confident83.4Confident58 Ų5897 Ų9748%0.47951%0.508SS..Hα-helixtrans-65.5-42.3176.200000112A267 A268 N274 R275A267-A271 WeakPolarHBondContact O-CB 3.29Å; A267-A271 PolarHBondContact O-N 2.95Å; A268-A271 PolarHBondContact O-N 2.88Å; A271-N274 PolarHBondContact O-N 3.44Å; A271-R275 PolarHBondContact O-N 3.08Å
272E85Confident82.8Confident102 Ų10296.6 Ų96.648%0.47750%0.501SS..Hα-helixtrans-64.6-43.7174.8-164.8-177.9-171.600111.7A268 K269 R275 L276A268-E272 PolarHBondContact O-N 3.26Å; K269-E272 IonicContact NZ-OE2 3.93Å; K269-E272 PolarHBondContact NZ-OE2 3.31Å; K269-E272 PolarHBondContact O-N 3.15Å; E272-R275 WeakPolarHBondContact O-CB 3.45Å; E272-R275 PolarHBondContact O-N 3.48Å; E272-R275 VanDerWaalsContact O-N 3.14Å; E272-L276 PolarHBondContact O-N 2.9Å; E272-L276 VanDerWaalsContact O-N 3.15Å
273S81.9Confident82.2Confident46 Ų4698.3 Ų98.332%0.32250%0.502SS..Hα-helixtrans-61.6-43.2174.5-175.50000111.6K269 S270 R275 L276 K277K269-S273 VanDerWaalsContact O-CB 3.27Å; K269-S273 WeakPolarHBondContact O-CB 3.44Å; K269-S273 PolarHBondContact O-N 2.98Å; S270-S273 PolarHBondContact O-N 3.06Å; S273-R275 PolarHBondContact O-N 3.3Å; S273-L276 PolarHBondContact O-N 3.12Å; S273-L276 VanDerWaalsContact O-N 3.14Å; S273-K277 WeakPolarHBondContact O-CB 3.27Å; S273-K277 VanDerWaalsContact O-CG 3.29Å; S273-K277 WeakPolarHBondContact O-CG 3.24Å; S273-K277 PolarHBondContact O-N 3.3Å; S273-K277 WeakPolarHBondContact OG-CE 3.48Å
274N79.1Confident81.6Confident90 Ų9098.1 Ų98.148%0.48150%0.501SS..Hα-helixtrans-61.3-34.8175.5-71-17.2000111.4S270 A271 K277 L278S270-N274 WeakPolarHBondContact O-CB 3.37Å; S270-N274 PolarHBondContact O-N 2.96Å; S270-N274 PolarHBondContact O-ND2 3.46Å; S270-N274 PolarHBondContact O-OD1 2.97Å; A271-N274 PolarHBondContact O-N 3.44Å; N274-K277 PolarHBondContact O-N 3.32Å; N274-L278 WeakPolarHBondContact O-CD1 3.39Å; N274-L278 PolarHBondContact O-N 3.45Å
275R78.9Confident81.2Confident203 Ų20394 Ų9477%0.76649%0.49SS*.Hα-helixtrans-66.1-35.3174.8-149.6178.782.9168.35.3113.2A271 E272 S273A271-R275 PolarHBondContact O-N 3.08Å; E272-R275 WeakPolarHBondContact O-CB 3.45Å; E272-R275 PolarHBondContact O-N 3.48Å; E272-R275 VanDerWaalsContact O-N 3.14Å; S273-R275 PolarHBondContact O-N 3.3Å
276L78.1Confident80.7Confident135 Ų13591 Ų9171%0.70748%0.482SS*.Hα-helixtrans-78.6-31.9174.9-73.8165.8000112.7E272 S273 L278E272-L276 PolarHBondContact O-N 2.9Å; E272-L276 VanDerWaalsContact O-N 3.15Å; S273-L276 PolarHBondContact O-N 3.12Å; S273-L276 VanDerWaalsContact O-N 3.14Å; L276-L278 PolarHBondContact O-N 3.47Å
277K71.4Confident80.2Confident84 Ų8492.7 Ų92.737%0.36548%0.482SS..SBendtrans-72.2-6.8175-73.1173.5178.1179.70113.7S273 N274 T279 Y282S273-K277 WeakPolarHBondContact O-CB 3.27Å; S273-K277 VanDerWaalsContact O-CG 3.29Å; S273-K277 WeakPolarHBondContact O-CG 3.24Å; S273-K277 PolarHBondContact O-N 3.3Å; S273-K277 WeakPolarHBondContact OG-CE 3.48Å; N274-K277 PolarHBondContact O-N 3.32Å; K277-T279 PolarHBondContact O-N 2.91Å; K277-Y282 HydrophobicContact CB-CD1 3.77Å; K277-Y282 HydrophobicContact CB-CE1 3.76Å; K277-Y282 HydrophobicContact CD-CE1 3.83Å; K277-Y282 HydrophobicContact CG-CD1 4.15Å; K277-Y282 HydrophobicContact CG-CE1 3.78Å; K277-Y282 VanDerWaalsContact O-CD1 3.3Å; K277-Y282 WeakPolarHBondContact O-CD1 3.39Å
278L70.4Confident79.8Confident119 Ų11996.8 Ų96.862%0.62349%0.487SS*.  trans-76.948174.1-91.8151.8000111.8N274 L276 L283N274-L278 WeakPolarHBondContact O-CD1 3.39Å; N274-L278 PolarHBondContact O-N 3.45Å; L276-L278 PolarHBondContact O-N 3.47Å; L278-L283 HydrophobicContact CD2-CD1 4.36Å
279T76.7Confident79.6Confident59 Ų59100.4 Ų100.436%0.36250%0.497SS..  trans-98.9141.9166.359.70000109.5K277 E281 Y282 L283K277-T279 PolarHBondContact O-N 2.91Å; T279-E281 WeakPolarHBondContact CB-OE2 3.21Å; T279-E281 PolarHBondContact O-N 3.01Å; T279-Y282 PolarHBondContact O-N 3.34Å; T279-Y282 VanDerWaalsContact O-N 3.17Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.45Å; T279-L283 PolarHBondContact O-N 2.92Å; T279-L283 VanDerWaalsContact O-N 3.09Å
280P73.6Confident79.2Confident89 Ų8999 Ų9958%0.57850%0.502SS*.Hα-helixtrans-58.8-34.2-177.220.7-29.1000112.2E284P280-E284 PolarHBondContact O-N 3.2Å
281E76.6Confident78.7Confident131 Ų131100.5 Ų100.561%0.61250%0.504SS*.Hα-helixtrans-68.5-38.4179.3-54.978-168.900112.1T279 L285T279-E281 WeakPolarHBondContact CB-OE2 3.21Å; T279-E281 PolarHBondContact O-N 3.01Å; E281-L285 PolarHBondContact O-N 2.86Å
282Y77.7Confident78.3Confident83 Ų83100.9 Ų100.933%0.32551%0.508SS..Hα-helixtrans-74.7-35.8178.5-174.3-100.9000111.9K277 T279 E284 L285 M286K277-Y282 HydrophobicContact CB-CD1 3.77Å; K277-Y282 HydrophobicContact CB-CE1 3.76Å; K277-Y282 HydrophobicContact CD-CE1 3.83Å; K277-Y282 HydrophobicContact CG-CD1 4.15Å; K277-Y282 HydrophobicContact CG-CE1 3.78Å; K277-Y282 VanDerWaalsContact O-CD1 3.3Å; K277-Y282 WeakPolarHBondContact O-CD1 3.39Å; T279-Y282 PolarHBondContact O-N 3.34Å; T279-Y282 VanDerWaalsContact O-N 3.17Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.45Å; Y282-E284 VanDerWaalsContact C-N 3.35Å; Y282-L285 PolarHBondContact O-N 3.42Å; Y282-M286 HydrophobicContact CD1-CG 3.93Å; Y282-M286 HydrophobicContact CE1-CG 3.51Å; Y282-M286 HydrophobicContact CE1-SD 4.26Å; Y282-M286 HydrophobicContact CE2-CG 4.4Å; Y282-M286 WeakPolarHBondContact O-CB 3.32Å; Y282-M286 WeakPolarHBondContact O-CG 3.49Å; Y282-M286 PolarHBondContact O-N 3.44Å
283L77.7Confident77.9Confident92 Ų9299.2 Ų99.248%0.48252%0.518SS..Hα-helixtrans-65.2-38.1173.6-69.3175.8000111.9L278 T279 K287L278-L283 HydrophobicContact CD2-CD1 4.36Å; T279-L283 PolarHBondContact O-N 2.92Å; T279-L283 VanDerWaalsContact O-N 3.09Å; L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 PolarHBondContact O-N 3.25Å
284E78.9Confident77.2Confident107 Ų107103.8 Ų103.850%0.554%0.539SS..Hα-helixtrans-63.6-46.4171-84.3-161.9148.600111.8P280 Y282 M286 K287 Y288P280-E284 PolarHBondContact O-N 3.2Å; Y282-E284 VanDerWaalsContact C-N 3.35Å; E284-M286 PolarHBondContact O-N 2.94Å; E284-K287 WeakPolarHBondContact O-CB 3.27Å; E284-K287 PolarHBondContact O-N 3.49Å; E284-Y288 HydrophobicContact CB-CD2 4.44Å; E284-Y288 HydrophobicContact CB-CE2 4.14Å; E284-Y288 WeakPolarHBondContact O-CD2 3.36Å; E284-Y288 PolarHBondContact O-N 3.09Å
285L81.6Confident76.5Confident90 Ų90102.5 Ų102.547%0.47154%0.537SS..Hα-helixtrans-59.8-45.5176.6-176.5139.6000111.7E281 Y282 K287 Y288 Q289E281-L285 PolarHBondContact O-N 2.86Å; Y282-L285 PolarHBondContact O-N 3.42Å; L285-K287 VanDerWaalsContact C-N 3.35Å; L285-Y288 PolarHBondContact O-N 2.97Å; L285-Q289 WeakPolarHBondContact O-CB 3.04Å; L285-Q289 PolarHBondContact O-N 2.94Å
286M81.1Confident75.6Confident82 Ų82100.2 Ų100.240%0.40453%0.532SS..Hα-helixtrans-63.8-38.5175.3-79.5-66.7-58.300112.1Y282 E284 Q289 A290Y282-M286 HydrophobicContact CD1-CG 3.93Å; Y282-M286 HydrophobicContact CE1-CG 3.51Å; Y282-M286 HydrophobicContact CE1-SD 4.26Å; Y282-M286 HydrophobicContact CE2-CG 4.4Å; Y282-M286 WeakPolarHBondContact O-CB 3.32Å; Y282-M286 WeakPolarHBondContact O-CG 3.49Å; Y282-M286 PolarHBondContact O-N 3.44Å; E284-M286 PolarHBondContact O-N 2.94Å; M286-Q289 PolarHBondContact O-N 3.14Å; M286-A290 VanDerWaalsContact O-CB 3.27Å; M286-A290 WeakPolarHBondContact O-CB 3.28Å; M286-A290 PolarHBondContact O-N 2.82Å
287K79.3Confident74.8Confident128 Ų12899.8 Ų99.856%0.55753%0.529SS*.Hα-helixtrans-62.9-46.4174.1179.4-175.4176.9-173.90110.7L283 E284 L285 A290 I291L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 PolarHBondContact O-N 3.25Å; E284-K287 WeakPolarHBondContact O-CB 3.27Å; E284-K287 PolarHBondContact O-N 3.49Å; L285-K287 VanDerWaalsContact C-N 3.35Å; K287-A290 PolarHBondContact O-N 2.75Å; K287-I291 HydrophobicContact CG-CD1 3.88Å; K287-I291 WeakPolarHBondContact O-CB 3.22Å; K287-I291 WeakPolarHBondContact O-CG1 3.16Å; K287-I291 PolarHBondContact O-N 2.98Å
288Y80.8Confident74.1Confident139 Ų139104.9 Ų104.955%0.54555%0.548SS..Hα-helixtrans-66.2-39.8176.4-68-52.5000112.1E284 L285 I291 A292E284-Y288 HydrophobicContact CB-CD2 4.44Å; E284-Y288 HydrophobicContact CB-CE2 4.14Å; E284-Y288 WeakPolarHBondContact O-CD2 3.36Å; E284-Y288 PolarHBondContact O-N 3.09Å; L285-Y288 PolarHBondContact O-N 2.97Å; Y288-I291 PolarHBondContact O-N 3.09Å; Y288-A292 VanDerWaalsContact O-CB 3.27Å; Y288-A292 WeakPolarHBondContact O-CB 3.45Å; Y288-A292 PolarHBondContact O-N 3.42Å
289Q83.4Confident73.4Confident120 Ų120108.3 Ų108.356%0.56156%0.558SS**Hα-helixtrans-63-42.5173.3-95.1-176.5-26.300112.2L285 M286 A292 G293L285-Q289 WeakPolarHBondContact O-CB 3.04Å; L285-Q289 PolarHBondContact O-N 2.94Å; M286-Q289 PolarHBondContact O-N 3.14Å; Q289-A292 PolarHBondContact O-N 3Å; Q289-G293 PolarHBondContact O-N 2.76Å
290A80.9Confident72.3Confident61 Ų61108.2 Ų108.250%0.50457%0.569SS.*Hα-helixtrans-66-41.8175.400000111.1M286 K287 G293 N294M286-A290 VanDerWaalsContact O-CB 3.27Å; M286-A290 WeakPolarHBondContact O-CB 3.28Å; M286-A290 PolarHBondContact O-N 2.82Å; K287-A290 PolarHBondContact O-N 2.75Å; A290-G293 PolarHBondContact O-N 3.42Å; A290-N294 WeakPolarHBondContact O-CB 3.32Å; A290-N294 PolarHBondContact O-N 2.96Å
291I77Confident71.6Confident92 Ų92113.6 Ų113.647%0.47259%0.586SS.*Hα-helixtrans-60.7-44.9173-70.2166.1000110.3K287 Y288 N294 S295K287-I291 HydrophobicContact CG-CD1 3.88Å; K287-I291 WeakPolarHBondContact O-CB 3.22Å; K287-I291 WeakPolarHBondContact O-CG1 3.16Å; K287-I291 PolarHBondContact O-N 2.98Å; Y288-I291 PolarHBondContact O-N 3.09Å; I291-N294 PolarHBondContact O-N 2.89Å; I291-S295 VanDerWaalsContact O-CB 3.29Å; I291-S295 WeakPolarHBondContact O-CB 3.33Å; I291-S295 PolarHBondContact O-N 2.93Å; I291-S295 PolarHBondContact O-OG 2.77Å
292A75.2Confident70.8Confident66 Ų66114.8 Ų114.855%0.54560%0.597SS.*Hα-helixtrans-64.8-42.9177.900000112.4Y288 Q289 N294 S295Y288-A292 VanDerWaalsContact O-CB 3.27Å; Y288-A292 WeakPolarHBondContact O-CB 3.45Å; Y288-A292 PolarHBondContact O-N 3.42Å; Q289-A292 PolarHBondContact O-N 3Å; A292-N294 VanDerWaalsContact C-N 3.32Å; A292-N294 PolarHBondContact O-N 3.41Å; A292-S295 WeakPolarHBondContact CA-OG 3.36Å; A292-S295 PolarHBondContact O-OG 3.08Å
293G75.5Confident69.9Low67 Ų67117.4 Ų117.469%0.69162%0.615SS**Hα-helixtrans-70.6-27.2177.500000113.6Q289 A290Q289-G293 PolarHBondContact O-N 2.76Å; A290-G293 PolarHBondContact O-N 3.42Å
294N67.3Low68.9Low143 Ų143117.5 Ų117.577%0.76562%0.621SS**Hα-helixtrans-97.4-8.2-179.3-143.318.2000113.3A290 I291 A292 K296A290-N294 WeakPolarHBondContact O-CB 3.32Å; A290-N294 PolarHBondContact O-N 2.96Å; I291-N294 PolarHBondContact O-N 2.89Å; A292-N294 VanDerWaalsContact C-N 3.32Å; A292-N294 PolarHBondContact O-N 3.41Å; N294-K296 PolarHBondContact O-N 3.47Å
295S64.4Low67.7Low62 Ų62119.1 Ų119.143%0.43463%0.633SS.*  trans-85.188.4172.837.90000110.2I291 A292 I297I291-S295 VanDerWaalsContact O-CB 3.29Å; I291-S295 WeakPolarHBondContact O-CB 3.33Å; I291-S295 PolarHBondContact O-N 2.93Å; I291-S295 PolarHBondContact O-OG 2.77Å; A292-S295 WeakPolarHBondContact CA-OG 3.36Å; A292-S295 PolarHBondContact O-OG 3.08Å; S295-I297 PolarHBondContact O-N 2.84Å
296K60.8Low66.5Low156 Ų156122.5 Ų122.568%0.67865%0.648SS**  trans-78.1104.3164.4-68.1-174.6-180-179.70108.6N294 Y298N294-K296 PolarHBondContact O-N 3.47Å; K296-Y298 HydrophobicContact CB-CD2 4.33Å; K296-Y298 HydrophobicContact CB-CE2 3.63Å; K296-Y298 WeakPolarHBondContact O-CD2 3.27Å
297I59.9Low65.5Low125 Ų125127 Ų12764%0.64167%0.666SS**  trans-85.8115.7175.2-51.3174000108.2S295 F299S295-I297 PolarHBondContact O-N 2.84Å; I297-F299 HydrophobicContact CB-CE2 4.18Å; I297-F299 HydrophobicContact CG2-CD2 3.74Å; I297-F299 HydrophobicContact CG2-CE1 4.25Å; I297-F299 HydrophobicContact CG2-CE2 3.18Å; I297-F299 HydrophobicContact CG2-CG 4.48Å; I297-F299 HydrophobicContact CG2-CZ 3.48Å; I297-F299 VanDerWaalsContact CG2-CZ 3.48Å
298Y57.5Low64.2Low192 Ų192127.1 Ų127.175%0.75368%0.677SS**  trans-99.5124.2174.7-63.5-92000108.8K296K296-Y298 HydrophobicContact CB-CD2 4.33Å; K296-Y298 HydrophobicContact CB-CE2 3.63Å; K296-Y298 WeakPolarHBondContact O-CD2 3.27Å
299F55.4Low62.2Low190 Ų190129.2 Ų129.283%0.83369%0.692SS**  trans-117.5125.2174.7-71.3-76.1000110.3I297I297-F299 HydrophobicContact CB-CE2 4.18Å; I297-F299 HydrophobicContact CG2-CD2 3.74Å; I297-F299 HydrophobicContact CG2-CE1 4.25Å; I297-F299 HydrophobicContact CG2-CE2 3.18Å; I297-F299 HydrophobicContact CG2-CG 4.48Å; I297-F299 HydrophobicContact CG2-CZ 3.48Å; I297-F299 VanDerWaalsContact CG2-CZ 3.48Å
300G53.1Low60.2Low58 Ų58126.8 Ų126.860%0.59870%0.699SS**  trans173.8148.9175.700000113.5D302G300-D302 VanDerWaalsContact C-N 3.29Å; G300-D302 PolarHBondContact O-N 3.27Å
301Q59.7Low58.4Low202 Ų202132.7 Ų132.794%0.94472%0.718SS**SBendtrans-77.51.7-171.3-82.5179.4-20.300115.8
302D60.2Low56.4Low156 Ų156136 Ų13683%0.83474%0.737SS**  trans-131.392.3171.9-78.6-51.8000109.9G300 P304G300-D302 VanDerWaalsContact C-N 3.29Å; G300-D302 PolarHBondContact O-N 3.27Å; D302-P304 WeakPolarHBondContact O-CD 3.34Å
303I58Low54.4Low138 Ų138136.6 Ų136.671%0.70875%0.749SS**  trans-84116.8174.6-58.3176.6000107.5N305I303-N305 PolarHBondContact O-N 3.05Å
304P57.8Low52.4Low94 Ų94138.5 Ų138.561%0.6176%0.759SS**  trans-61.4133.4178.8-21.132.4000111.2D302 M306D302-P304 WeakPolarHBondContact O-CD 3.34Å; P304-M306 PolarHBondContact O-N 3.23Å
305N53.1Low51.4Low140 Ų140136.2 Ų136.275%0.74976%0.76SS**G310 helixtrans-60.313.8178.1-90.3-12000115.5I303 F307I303-N305 PolarHBondContact O-N 3.05Å; N305-F307 PolarHBondContact O-N 2.89Å
306M57.3Low50Low161 Ų161143.2 Ų143.279%0.79378%0.783SS**G310 helixtrans-79.65.2177.7-146.5-176.774.800113.6P304P304-M306 PolarHBondContact O-N 3.23Å
307F59Low49.2Very low177 Ų177141 Ų14178%0.77678%0.784SS**G310 helixtrans-116.24178.8-77.3-82.8000114.4N305N305-F307 PolarHBondContact O-N 2.89Å
308V52.6Low48.4Very low130 Ų130141.2 Ų141.279%0.78879%0.791SS**SBendtrans-124.46.8-176.5-167.20000114.2
309E38.4Very low47.8Very low184 Ų184137.9 Ų137.986%0.8679%0.793SS**  trans-128.2127.8-178.7-136.8167.4-163.900111.5
310G41Very low47Very low68 Ų68133.9 Ų133.970%0.70179%0.789SS**  trans134.944.1161.500000118.9N312G310-N312 PolarHBondContact O-N 3.15Å
311M42.8Very low46.6Very low185 Ų185137.4 Ų137.491%0.91180%0.801SS**SBendtrans-66.2119.9140.6-140.2122.773.300106
312N36.2Very low45.7Very low162 Ų162134.4 Ų134.487%0.86680%0.797SS**SBendtrans76119.9-177.9-63.5-23000118.5G310G310-N312 PolarHBondContact O-N 3.15Å
313G32.7Very low44.6Very low78 Ų78135.1 Ų135.180%0.80480%0.799SS**  trans144.399144.900000118.5
314A33.6Very low44.2Very low108 Ų108134.5 Ų134.589%0.89380%0.804SS**  trans68.5118.7140.800000121.8
315A45Very low43.3Very low95 Ų95140 Ų14079%0.78582%0.818SS**  trans-62.3150166.200000114.1
316K35.8Very low42.5Very low209 Ų209138 Ų13891%0.90982%0.822SS**  trans-150.4152.3136.5-80.8-162-179.9169.70112.3
317P44.5Very low42Very low110 Ų110139.4 Ų139.471%0.71483%0.827SS**  trans-121.4167.9-159.143.1-28.8000115.8
318V42.3Very low41.5Very low128 Ų128136.9 Ų136.978%0.77683%0.828SS**  trans78.1145.6153-175.60000114.4
319P44.7Very low41Very low123 Ų123140.1 Ų140.180%0.79983%0.834SS**  cis-137.8157.439.725.40.7000120.6
320S40.2Very low41.7Very low106 Ų106139.4 Ų139.474%0.74184%0.836SS**PPolyproline II helixtrans-88.3146.8169.328.20000112.3
321P44.2Very low42.4Very low132 Ų132141.6 Ų141.686%0.85784%0.837SS**PPolyproline II helixtrans-96.4147.4172.612.26.8000114
322T41.4Very low42.8Very low139 Ų139144.6 Ų144.685%0.85384%0.839SS**PPolyproline II helixtrans-83.2150.7-171.434.90000116.1
323L36.1Very low43.2Very low170 Ų170141.9 Ų141.989%0.8984%0.838SS**PPolyproline II helixtrans-80.4145.7166.3-86.2129.6000112.5
324P49Very low43.7Very low126 Ų126151.5 Ų151.582%0.81886%0.858SS**PPolyproline II helixtrans-86.8144.6170.31.616.7000113.5
325K39.8Very low44.2Very low208 Ų208153.7 Ų153.790%0.90486%0.856SS**PPolyproline II helixtrans-85.1155.6178-76.8176.6173.1177.70112.6
326A36.9Very low44.2Very low100 Ų100156.7 Ų156.783%0.82686%0.86SS**PPolyproline II helixtrans-82.2143.9170.300000112.6
327E45.6Very low44.6Very low190 Ų190153.8 Ų153.889%0.88886%0.857SS**  trans-110.5147.4165.8-81.2-178.8158.800110.3
328P47.9Very low44.6Very low123 Ų123156.4 Ų156.480%0.79987%0.866SS**  trans-104.6138.8171.635.6-25.7000112.2
329E43.5Very low44.8Very low199 Ų199158.2 Ų158.293%0.9387%0.871SS**  trans-123.1135.4163.3-79.8-163.9148.500111.2
330L52.7Low44.8Very low169 Ų169160.5 Ų160.589%0.88588%0.876SS**  trans-120.7172167.6-146.685.9000107.7
331P56.4Low45.1Very low113 Ų113164.4 Ų164.473%0.73489%0.886SS**  -100.3165.5-118.731.8-10.3000114
332R50.8Low45.2Very low249 Ų249166.9 Ų166.994%0.9489%0.888SS**  trans-97.3123.5162-90.9-174.9-175.8-174.22.9110.8K334R332-K334 PolarHBondContact O-N 2.82Å
333A44.8Very low45.5Very low104 Ų104169.3 Ų169.386%0.8689%0.891SS**  trans-71.2109.9151.200000109
334K42.4Very low46.4Very low280 Ų280169.2 Ų169.2100%1.21789%0.891SS**  -1570113.3-109.5-170.1-178.3-176.30108.7R332R332-K334 PolarHBondContact O-N 2.82Å

Retrieved 334 of 334 residues in 83.9 ms (Link to these results)

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