A0A077ZF70_TRITR Loading...

Polyadenylation and cleavage factor 11

AlphaFold DB , UniProt , Accession A0A077ZF70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 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
1M44.2Very low81.2Confident242 Ų24295.4 Ų95.4100%1.19253%0.529SS*.  0153.60-71.2139.7170.500107.6
2A60.4Low82.3Confident93 Ų9387.7 Ų87.777%0.76949%0.486SS*.PPolyproline II helixtrans-73.7140.8156.300000107.4
3L68.1Low83.1Confident120 Ų12090.3 Ų90.363%0.62848%0.484SS*.PPolyproline II helixtrans-67.4141.8169-64172.5000108.5D7 V8L3-D7 HydrophobicContact CB-CB 4.38Å; L3-D7 HydrophobicContact CD2-CB 4.44Å; L3-V8 HydrophobicContact CB-CG2 3.82Å; L3-V8 HydrophobicContact CD1-CG2 4.16Å
4T86.3Confident83.7Confident70 Ų7089.1 Ų89.143%0.42949%0.486SS..PPolyproline II helixtrans-76.3165.1174.6690000110.8E6 D7 V8T4-E6 PolarHBondContact O-N 2.65Å; T4-E6 PolarHBondContact OG1-N 2.79Å; T4-D7 VanDerWaalsContact CB-OD2 3.3Å; T4-D7 WeakPolarHBondContact CB-OD2 3.29Å; T4-D7 WeakPolarHBondContact CG2-OD2 3.23Å; T4-D7 PolarHBondContact N-OD2 3.39Å; T4-D7 PolarHBondContact O-N 2.89Å; T4-D7 PolarHBondContact OG1-N 3.3Å; T4-D7 VanDerWaalsContact OG1-N 3.11Å; T4-D7 PolarHBondContact OG1-OD2 2.98Å; T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 3.16Å
5E87.7Confident84.3Confident88 Ų8885 Ų8541%0.41147%0.467SS..Hα-helixtrans-54.9-41.8169.4176.8171.3153.900111.3I9 F40 Q43E5-I9 HydrophobicContact CG-CD1 3.51Å; E5-I9 HydrophobicContact CG-CG1 4.49Å; E5-I9 WeakPolarHBondContact O-CB 3.47Å; E5-I9 VanDerWaalsContact O-CD1 3.3Å; E5-I9 WeakPolarHBondContact O-CD1 3.4Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 2.85Å; E5-F40 HydrophobicContact CB-CD1 4.09Å; E5-F40 HydrophobicContact CB-CE1 3.57Å; E5-F40 HydrophobicContact CB-CZ 3.9Å; E5-F40 HydrophobicContact CG-CD1 3.69Å; E5-F40 HydrophobicContact CG-CE1 3.72Å; E5-F40 HydrophobicContact CG-CG 4.38Å; E5-F40 HydrophobicContact CG-CZ 4.4Å; E5-Q43 PolarHBondContact OE1-NE2 3.03Å
6E89.6Confident84.7Confident159 Ų15979.8 Ų79.874%0.74344%0.438SS*.Hα-helixtrans-66.2-42.4-179.2-60.4-174.2169.700112.2T4 I9 A10T4-E6 PolarHBondContact O-N 2.65Å; T4-E6 PolarHBondContact OG1-N 2.79Å; E6-I9 PolarHBondContact O-N 3.15Å; E6-A10 VanDerWaalsContact O-CB 3.25Å; E6-A10 WeakPolarHBondContact O-CB 3.33Å; E6-A10 PolarHBondContact O-N 3.38Å
7D90.4Very high85Confident70 Ų7080.2 Ų80.237%0.37444%0.439SS..Hα-helixtrans-58.7-51.2176.6-59.9-52.5000110.9L3 T4 I9 A10 D11L3-D7 HydrophobicContact CB-CB 4.38Å; L3-D7 HydrophobicContact CD2-CB 4.44Å; T4-D7 VanDerWaalsContact CB-OD2 3.3Å; T4-D7 WeakPolarHBondContact CB-OD2 3.29Å; T4-D7 WeakPolarHBondContact CG2-OD2 3.23Å; T4-D7 PolarHBondContact N-OD2 3.39Å; T4-D7 PolarHBondContact O-N 2.89Å; T4-D7 PolarHBondContact OG1-N 3.3Å; T4-D7 VanDerWaalsContact OG1-N 3.11Å; T4-D7 PolarHBondContact OG1-OD2 2.98Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.23Å; D7-A10 PolarHBondContact O-N 3.39Å; D7-D11 PolarHBondContact O-N 2.86Å
8V90.1Very high85.1Confident20 Ų2080.9 Ų80.912%0.12144%0.442CS..Hα-helixtrans-65.4-38.2-176.6176.70000111.5L3 T4 Y12 S37 F40L3-V8 HydrophobicContact CB-CG2 3.82Å; L3-V8 HydrophobicContact CD1-CG2 4.16Å; T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 3.16Å; V8-Y12 WeakPolarHBondContact O-CB 3.21Å; V8-Y12 PolarHBondContact O-N 3.48Å; V8-S37 VanDerWaalsContact CG1-OG 3.32Å; V8-S37 WeakPolarHBondContact CG1-OG 3.43Å; V8-F40 HydrophobicContact CB-CD2 4.07Å; V8-F40 HydrophobicContact CB-CE2 4.08Å; V8-F40 HydrophobicContact CG1-CD2 3.87Å; V8-F40 HydrophobicContact CG1-CE2 4.28Å; V8-F40 HydrophobicContact CG2-CE2 4.08Å
9I92.6Very high85.3Confident35 Ų3576.8 Ų76.818%0.17942%0.42CS..Hα-helixtrans-68.5-38.8175.2-67.6164.5000111.1E5 E6 D7 R13 Q43 V47E5-I9 HydrophobicContact CG-CD1 3.51Å; E5-I9 HydrophobicContact CG-CG1 4.49Å; E5-I9 WeakPolarHBondContact O-CB 3.47Å; E5-I9 VanDerWaalsContact O-CD1 3.3Å; E5-I9 WeakPolarHBondContact O-CD1 3.4Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 2.85Å; E6-I9 PolarHBondContact O-N 3.15Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.23Å; I9-R13 WeakPolarHBondContact O-CB 3.33Å; I9-R13 PolarHBondContact O-N 3.02Å; I9-Q43 HydrophobicContact CD1-CB 3.47Å; I9-Q43 VanDerWaalsContact CD1-CB 3.47Å; I9-Q43 HydrophobicContact CD1-CG 3.71Å; I9-Q43 HydrophobicContact CG1-CB 3.92Å; I9-V47 HydrophobicContact CG2-CG2 3.9Å
10A92.1Very high85.3Confident55 Ų5578.2 Ų78.246%0.45542%0.423SS..Hα-helixtrans-65.8-46.6177.400000111.7E6 D7 R13 S14E6-A10 VanDerWaalsContact O-CB 3.25Å; E6-A10 WeakPolarHBondContact O-CB 3.33Å; E6-A10 PolarHBondContact O-N 3.38Å; D7-A10 PolarHBondContact O-N 3.39Å; A10-R13 PolarHBondContact O-N 3.21Å; A10-S14 WeakPolarHBondContact O-CB 3.47Å; A10-S14 PolarHBondContact O-N 2.89Å
11D91.3Very high85.3Confident97 Ų9780.5 Ų80.552%0.51943%0.43SS..Hα-helixtrans-63.9-42.5177.1-79.8-15.1000112D7 S14 S15D7-D11 PolarHBondContact O-N 2.86Å; D11-S14 PolarHBondContact O-N 3.4Å; D11-S15 VanDerWaalsContact O-CB 3.29Å; D11-S15 WeakPolarHBondContact O-CB 3.41Å; D11-S15 PolarHBondContact O-N 2.83Å; D11-S15 PolarHBondContact O-OG 2.99Å
12Y94.5Very high87.4Confident3 Ų373.6 Ų73.61%0.01240%0.398CS..Hα-helixtrans-62.1-44.7174.5-162.1-78.5000111.3V8 S15 L16 L30 L33 A34 I44 V47 I48V8-Y12 WeakPolarHBondContact O-CB 3.21Å; V8-Y12 PolarHBondContact O-N 3.48Å; Y12-S15 PolarHBondContact O-N 3.07Å; Y12-L16 WeakPolarHBondContact O-CB 3.39Å; Y12-L16 PolarHBondContact O-N 3.22Å; Y12-L30 HydrophobicContact CD1-CD2 4.38Å; Y12-L30 HydrophobicContact CE1-CD2 3.98Å; Y12-L30 HydrophobicContact CE2-CD2 4.16Å; Y12-L30 VanDerWaalsContact CE2-O 3.25Å; Y12-L30 WeakPolarHBondContact CE2-O 3.45Å; Y12-L30 PolarHBondContact OH-O 2.91Å; Y12-L33 HydrophobicContact CD2-CB 3.84Å; Y12-L33 HydrophobicContact CD2-CD1 4.49Å; Y12-L33 HydrophobicContact CE2-CB 3.85Å; Y12-A34 HydrophobicContact CE2-CB 3.98Å; Y12-I44 HydrophobicContact CD1-CG2 4.16Å; Y12-I44 HydrophobicContact CD2-CD1 4.4Å; Y12-I44 HydrophobicContact CD2-CG1 4.41Å; Y12-I44 HydrophobicContact CD2-CG2 4.29Å; Y12-I44 HydrophobicContact CE1-CG2 3.86Å; Y12-I44 HydrophobicContact CE2-CG2 3.99Å; Y12-I44 HydrophobicContact CG-CG1 4.35Å; Y12-I44 HydrophobicContact CG-CG2 4.39Å; Y12-V47 HydrophobicContact CD1-CG1 4.37Å; Y12-I48 HydrophobicContact CE1-CD1 3.87Å; Y12-I48 HydrophobicContact CE1-CG1 3.86Å
13R92.7Very high88.9Confident122 Ų12269.7 Ų69.746%0.4636%0.364SS..Hα-helixtrans-64.3-40.5178.6-177.6178-175.3140.72112.2I9 A10 L16 L17 V47I9-R13 WeakPolarHBondContact O-CB 3.33Å; I9-R13 PolarHBondContact O-N 3.02Å; A10-R13 PolarHBondContact O-N 3.21Å; R13-L16 PolarHBondContact O-N 2.87Å; R13-L17 PolarHBondContact O-N 3.45Å; R13-V47 HydrophobicContact CB-CG1 3.9Å; R13-V47 HydrophobicContact CG-CG1 4.12Å
14S91.5Very high89.8Confident73 Ų7370.3 Ų70.351%0.5136%0.362SS..Hα-helixtrans-61.7-54175.4-169.10000110.1A10 D11 L16 L17A10-S14 WeakPolarHBondContact O-CB 3.47Å; A10-S14 PolarHBondContact O-N 2.89Å; D11-S14 PolarHBondContact O-N 3.4Å; S14-L16 PolarHBondContact O-N 3.33Å; S14-L16 VanDerWaalsContact O-N 3.12Å; S14-L17 WeakPolarHBondContact O-CB 3.38Å; S14-L17 PolarHBondContact O-N 2.92Å
15S92.6Very high90.1Very high28 Ų2869.7 Ų69.720%0.19636%0.359CS..Hα-helixtrans-56.6-30.1177.9-58.30000113.6D11 Y12D11-S15 VanDerWaalsContact O-CB 3.29Å; D11-S15 WeakPolarHBondContact O-CB 3.41Å; D11-S15 PolarHBondContact O-N 2.83Å; D11-S15 PolarHBondContact O-OG 2.99Å; Y12-S15 PolarHBondContact O-N 3.07Å
16L91.9Very high90.2Very high1 Ų168.4 Ų68.41%0.00535%0.353CS..Hα-helixtrans-74.8-25.1178.1-175.362.7000113.2Y12 R13 S14 D18 L19 L30 V47 I48 H51 L68Y12-L16 WeakPolarHBondContact O-CB 3.39Å; Y12-L16 PolarHBondContact O-N 3.22Å; R13-L16 PolarHBondContact O-N 2.87Å; S14-L16 PolarHBondContact O-N 3.33Å; S14-L16 VanDerWaalsContact O-N 3.12Å; L16-D18 PolarHBondContact O-N 3.14Å; L16-L19 HydrophobicContact CD1-CB 4.42Å; L16-L19 HydrophobicContact CD1-CD2 4.1Å; L16-L19 WeakPolarHBondContact O-CB 3.29Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-L30 HydrophobicContact CB-CD2 4.36Å; L16-L30 HydrophobicContact CD1-CD1 4.07Å; L16-V47 HydrophobicContact CD2-CG1 3.92Å; L16-I48 HydrophobicContact CD2-CG1 4.09Å; L16-H51 HydrophobicContact CD2-CB 3.84Å; L16-H51 PolarHBondContact O-CE1 2.75Å; L16-L68 HydrophobicContact CD1-CD2 3.54Å
17L88.8Confident90.4Very high87 Ų8761.3 Ų61.346%0.45532%0.32SS..Hα-helixtrans-69.1-21.5177-65.1169.8000112.8R13 S14 L19 Q20 L55R13-L17 PolarHBondContact O-N 3.45Å; S14-L17 WeakPolarHBondContact O-CB 3.38Å; S14-L17 PolarHBondContact O-N 2.92Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-Q20 WeakPolarHBondContact O-CG 3.43Å; L17-L55 HydrophobicContact CD2-CD1 3.94Å
18D88.1Confident90.5Very high94 Ų9461.2 Ų61.250%0.50332%0.319SS..THydrogen-bonded Turntrans-82.4-2.7175.3-69.8-33.6000113.7L16 Q20 H26L16-D18 PolarHBondContact O-N 3.14Å; D18-Q20 PolarHBondContact O-N 2.93Å; D18-H26 PolarHBondContact O-ND1 2.92Å
19L87.9Confident90.8Very high2 Ų263 Ų631%0.0133%0.328CS..  trans-82.644.7178.4-168.554.7000112.9L16 L17 F21 H26 I27 L30 P64 V65 L68L16-L19 HydrophobicContact CD1-CB 4.42Å; L16-L19 HydrophobicContact CD1-CD2 4.1Å; L16-L19 WeakPolarHBondContact O-CB 3.29Å; L16-L19 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L19-F21 VanDerWaalsContact C-N 3.25Å; L19-F21 PolarHBondContact O-N 3.35Å; L19-H26 HydrophobicContact CD1-CB 4.1Å; L19-I27 HydrophobicContact CD1-CD1 4.41Å; L19-I27 HydrophobicContact CD1-CG1 3.73Å; L19-I27 HydrophobicContact CD2-CG1 4.27Å; L19-L30 HydrophobicContact CB-CD1 4.24Å; L19-L30 HydrophobicContact CD2-CD1 3.94Å; L19-P64 HydrophobicContact CD1-CB 4.21Å; L19-P64 HydrophobicContact CG-CB 4.01Å; L19-V65 HydrophobicContact CD2-CG2 4.34Å; L19-L68 HydrophobicContact CD2-CB 3.89Å; L19-L68 HydrophobicContact CD2-CD2 3.98Å; L19-L68 HydrophobicContact CD2-CG 4.5Å
20Q84.8Confident90.9Very high105 Ų10561.4 Ų61.449%0.49132%0.319SS..SBendtrans-73-13.8-174.3-60.1178.119.700114.1L17 D18 Q61L17-Q20 WeakPolarHBondContact O-CG 3.43Å; D18-Q20 PolarHBondContact O-N 2.93Å; Q20-Q61 VanDerWaalsContact O-CG 3.3Å; Q20-Q61 WeakPolarHBondContact O-CG 3.4Å
21F86.4Confident91.1Very high127 Ų12759 Ų5956%0.55730%0.299SS*.SBendtrans-148.7171.6178.861.6-88.7000110.6L19 S23 P64L19-F21 VanDerWaalsContact C-N 3.25Å; L19-F21 PolarHBondContact O-N 3.35Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.97Å; F21-P64 VanDerWaalsContact C-CG 3.42Å
22N88.1Confident91.2Very high97 Ų9759.2 Ų59.252%0.51930%0.298SS..  trans-70.879.6-177.9-174.612.2000111.4P64 Y67N22-P64 HydrophobicContact CB-CG 4.49Å; N22-Y67 WeakPolarHBondContact ND2-CE2 3.23Å
23S90.7Very high91.2Very high10 Ų1061.5 Ų61.57%0.0731%0.31CS..  trans-101.896.4-178.4-179.90000109.6F21 P25 H26 I27F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.97Å; S23-P25 VanDerWaalsContact C-CD 3.43Å; S23-P25 VanDerWaalsContact C-N 3.31Å; S23-H26 PolarHBondContact O-N 2.95Å; S23-H26 VanDerWaalsContact OG-CG 3.25Å; S23-H26 PolarHBondContact OG-N 3.45Å; S23-I27 WeakPolarHBondContact O-CG1 3.35Å; S23-I27 PolarHBondContact O-N 3.17Å
24K88.9Confident91.3Very high133 Ų13355.7 Ų55.758%0.57829%0.288SS*.Hα-helixtrans-48.4-42.9173.5-169.1174.2-175.7176.40113.9N28K24-N28 WeakPolarHBondContact O-CB 3.26Å; K24-N28 VanDerWaalsContact O-CG 3.22Å; K24-N28 PolarHBondContact O-N 3.17Å; K24-N28 PolarHBondContact O-OD1 2.98Å
25P91.1Very high91.4Very high57 Ų5756.5 Ų56.537%0.3728%0.284SS..Hα-helixtrans-67.4-36.3175.924.3-31.7000113.5S23 M29S23-P25 VanDerWaalsContact C-CD 3.43Å; S23-P25 VanDerWaalsContact C-N 3.31Å; P25-M29 VanDerWaalsContact O-CB 3.32Å; P25-M29 WeakPolarHBondContact O-CB 3.22Å; P25-M29 PolarHBondContact O-N 2.82Å
26H89.9Confident91.4Very high61 Ų6162.5 Ų62.528%0.28231%0.309SS..Hα-helixtrans-70.5-40.7175.9-62.5177.3000111.5D18 L19 S23 N28 M29 L30D18-H26 PolarHBondContact O-ND1 2.92Å; L19-H26 HydrophobicContact CD1-CB 4.1Å; S23-H26 PolarHBondContact O-N 2.95Å; S23-H26 VanDerWaalsContact OG-CG 3.25Å; S23-H26 PolarHBondContact OG-N 3.45Å; H26-N28 PolarHBondContact O-N 2.87Å; H26-M29 PolarHBondContact O-N 2.98Å; H26-L30 WeakPolarHBondContact O-CB 3.2Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.45Å
27I93.3Very high91.3Very high11 Ų1163.2 Ų63.26%0.05631%0.314CS..Hα-helixtrans-60-46.6174.1-69168.1000110.3L19 S23 L30 T31 L68L19-I27 HydrophobicContact CD1-CD1 4.41Å; L19-I27 HydrophobicContact CD1-CG1 3.73Å; L19-I27 HydrophobicContact CD2-CG1 4.27Å; S23-I27 WeakPolarHBondContact O-CG1 3.35Å; S23-I27 PolarHBondContact O-N 3.17Å; I27-L30 PolarHBondContact O-N 2.93Å; I27-T31 WeakPolarHBondContact O-CB 3.49Å; I27-T31 PolarHBondContact O-N 3.37Å; I27-T31 PolarHBondContact O-OG1 3.41Å; I27-L68 HydrophobicContact CG2-CD1 4.45Å
28N93.7Very high91.5Very high67 Ų6762.1 Ų62.136%0.35831%0.306SS..Hα-helixtrans-61.6-43.7175.9-75.818.4000111.9K24 H26 T31 M32K24-N28 WeakPolarHBondContact O-CB 3.26Å; K24-N28 VanDerWaalsContact O-CG 3.22Å; K24-N28 PolarHBondContact O-N 3.17Å; K24-N28 PolarHBondContact O-OD1 2.98Å; H26-N28 PolarHBondContact O-N 2.87Å; N28-T31 WeakPolarHBondContact O-CB 3.36Å; N28-T31 PolarHBondContact O-N 2.94Å; N28-M32 WeakPolarHBondContact O-CG 3.3Å; N28-M32 PolarHBondContact O-N 3.1Å
29M95.4Very high91.7Very high59 Ų5965 Ų6529%0.29132%0.317SS..Hα-helixtrans-61.2-49.7177.3173.1-86.5-73.300111.8P25 H26 T31 M32 L33P25-M29 VanDerWaalsContact O-CB 3.32Å; P25-M29 WeakPolarHBondContact O-CB 3.22Å; P25-M29 PolarHBondContact O-N 2.82Å; H26-M29 PolarHBondContact O-N 2.98Å; M29-T31 PolarHBondContact O-N 3.39Å; M29-M32 PolarHBondContact O-N 2.73Å; M29-M32 VanDerWaalsContact O-N 3.14Å; M29-L33 WeakPolarHBondContact O-CG 3.14Å; M29-L33 PolarHBondContact O-N 3.23Å; M29-L33 HydrophobicContact SD-CD1 3.57Å; M29-L33 VanDerWaalsContact SD-CD1 3.57Å; M29-L33 HydrophobicContact SD-CG 4.27Å
30L95.7Very high91.9Very high0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-65.8-22.4175.5-73.4162.9000112.9Y12 L16 L19 H26 I27 A34 L68Y12-L30 HydrophobicContact CD1-CD2 4.38Å; Y12-L30 HydrophobicContact CE1-CD2 3.98Å; Y12-L30 HydrophobicContact CE2-CD2 4.16Å; Y12-L30 VanDerWaalsContact CE2-O 3.25Å; Y12-L30 WeakPolarHBondContact CE2-O 3.45Å; Y12-L30 PolarHBondContact OH-O 2.91Å; L16-L30 HydrophobicContact CB-CD2 4.36Å; L16-L30 HydrophobicContact CD1-CD1 4.07Å; L19-L30 HydrophobicContact CB-CD1 4.24Å; L19-L30 HydrophobicContact CD2-CD1 3.94Å; H26-L30 WeakPolarHBondContact O-CB 3.2Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.45Å; I27-L30 PolarHBondContact O-N 2.93Å; L30-A34 WeakPolarHBondContact O-CB 3.48Å; L30-A34 PolarHBondContact O-N 3.46Å; L30-L68 HydrophobicContact CB-CD1 3.51Å; L30-L68 HydrophobicContact CB-CD2 4.03Å; L30-L68 HydrophobicContact CB-CG 4.43Å; L30-L68 HydrophobicContact CD1-CD2 4.05Å
31T96.3Very high92.4Very high6 Ų661.1 Ų61.14%0.03730%0.298CS..Hα-helixtrans-75.2-44.8170.8-55.30000111I27 N28 M29 A34 E35 S71 I72 N75I27-T31 WeakPolarHBondContact O-CB 3.49Å; I27-T31 PolarHBondContact O-N 3.37Å; I27-T31 PolarHBondContact O-OG1 3.41Å; N28-T31 WeakPolarHBondContact O-CB 3.36Å; N28-T31 PolarHBondContact O-N 2.94Å; M29-T31 PolarHBondContact O-N 3.39Å; T31-A34 WeakPolarHBondContact O-CB 3.29Å; T31-A34 PolarHBondContact O-N 2.96Å; T31-E35 WeakPolarHBondContact O-CB 3.41Å; T31-E35 PolarHBondContact O-N 3.43Å; T31-S71 VanDerWaalsContact OG1-CB 3.32Å; T31-S71 WeakPolarHBondContact OG1-CB 3.39Å; T31-S71 PolarHBondContact OG1-OG 3.28Å; T31-I72 HydrophobicContact CG2-CG1 4.38Å; T31-N75 HydrophobicContact CG2-CB 3.89Å
32M93Very high92.8Very high101 Ų10158.3 Ų58.350%0.49829%0.293SS..Hα-helixtrans-64.2-44.5176.9-68-179.3-56.400111.5N28 M29 A34 E35 E36N28-M32 WeakPolarHBondContact O-CG 3.3Å; N28-M32 PolarHBondContact O-N 3.1Å; M29-M32 PolarHBondContact O-N 2.73Å; M29-M32 VanDerWaalsContact O-N 3.14Å; M32-A34 PolarHBondContact O-N 3.49Å; M32-E35 WeakPolarHBondContact O-CB 3.33Å; M32-E35 PolarHBondContact O-N 3.45Å; M32-E35 VanDerWaalsContact O-N 3.07Å; M32-E36 WeakPolarHBondContact O-CB 3.44Å; M32-E36 WeakPolarHBondContact O-CG 3.25Å; M32-E36 PolarHBondContact O-N 3.3Å
33L93.7Very high93Very high50 Ų5056.1 Ų56.126%0.26228%0.279SS..Hα-helixtrans-58.7-36.4174.1-69.3179.2000112.2Y12 M29 S37Y12-L33 HydrophobicContact CD2-CB 3.84Å; Y12-L33 HydrophobicContact CD2-CD1 4.49Å; Y12-L33 HydrophobicContact CE2-CB 3.85Å; M29-L33 WeakPolarHBondContact O-CG 3.14Å; M29-L33 PolarHBondContact O-N 3.23Å; M29-L33 HydrophobicContact SD-CD1 3.57Å; M29-L33 VanDerWaalsContact SD-CD1 3.57Å; M29-L33 HydrophobicContact SD-CG 4.27Å; L33-S37 WeakPolarHBondContact O-CB 3.45Å; L33-S37 PolarHBondContact O-N 3Å; L33-S37 PolarHBondContact O-OG 3.44Å
34A95Very high93.2Very high0 Ų055.7 Ų55.70%028%0.276CS..Hα-helixtrans-70.7-38.5175.200000112Y12 L30 T31 M32 S37 Q38 I44 I72 Y81Y12-A34 HydrophobicContact CE2-CB 3.98Å; L30-A34 WeakPolarHBondContact O-CB 3.48Å; L30-A34 PolarHBondContact O-N 3.46Å; T31-A34 WeakPolarHBondContact O-CB 3.29Å; T31-A34 PolarHBondContact O-N 2.96Å; M32-A34 PolarHBondContact O-N 3.49Å; A34-S37 CarbonylContact O-C 3.59Å; A34-S37 PolarHBondContact O-N 3.4Å; A34-Q38 WeakPolarHBondContact O-CG 3.18Å; A34-Q38 PolarHBondContact O-N 3.04Å; A34-I44 HydrophobicContact CB-CG2 4.46Å; A34-I72 HydrophobicContact CB-CD1 4.09Å; A34-I72 HydrophobicContact CB-CG1 4.21Å; A34-Y81 WeakPolarHBondContact CA-OH 3.43Å; A34-Y81 HydrophobicContact CB-CE2 3.89Å; A34-Y81 WeakPolarHBondContact O-CE2 3.16Å; A34-Y81 PolarHBondContact O-OH 3.25Å
35E94.5Very high93.5Very high91 Ų9149.7 Ų49.743%0.42525%0.251SS..Hα-helixtrans-66.9-39.6176.3-166.7175.8-176.900112.3T31 M32 Q38T31-E35 WeakPolarHBondContact O-CB 3.41Å; T31-E35 PolarHBondContact O-N 3.43Å; M32-E35 WeakPolarHBondContact O-CB 3.33Å; M32-E35 PolarHBondContact O-N 3.45Å; M32-E35 VanDerWaalsContact O-N 3.07Å; E35-Q38 WeakPolarHBondContact O-CG 3.44Å; E35-Q38 PolarHBondContact O-NE2 2.96Å
36E91.7Very high93.5Very high153 Ų15351.1 Ų51.172%0.71525%0.253SS*.Hα-helixtrans-70.9-34.2174.6-69.5171.1175.400111.7M32M32-E36 WeakPolarHBondContact O-CB 3.44Å; M32-E36 WeakPolarHBondContact O-CG 3.25Å; M32-E36 PolarHBondContact O-N 3.3Å
37S91.1Very high93.6Very high16 Ų1648.8 Ų48.811%0.11224%0.243CC..THydrogen-bonded Turntrans-101.523.8-173-50.40000114.6V8 L33 A34 Q39 F40V8-S37 VanDerWaalsContact CG1-OG 3.32Å; V8-S37 WeakPolarHBondContact CG1-OG 3.43Å; L33-S37 WeakPolarHBondContact O-CB 3.45Å; L33-S37 PolarHBondContact O-N 3Å; L33-S37 PolarHBondContact O-OG 3.44Å; A34-S37 CarbonylContact O-C 3.59Å; A34-S37 PolarHBondContact O-N 3.4Å; S37-Q39 PolarHBondContact O-N 2.87Å; S37-F40 PolarHBondContact O-N 2.89Å
38Q91.9Very high93.6Very high64 Ų6448.3 Ų48.330%0.29924%0.24SC..G310 helixtrans-53.3-25-174.1-78176.274.800115.4A34 E35 F40 A41 S79 Y81A34-Q38 WeakPolarHBondContact O-CG 3.18Å; A34-Q38 PolarHBondContact O-N 3.04Å; E35-Q38 WeakPolarHBondContact O-CG 3.44Å; E35-Q38 PolarHBondContact O-NE2 2.96Å; Q38-F40 PolarHBondContact O-N 2.98Å; Q38-A41 WeakPolarHBondContact O-CB 3.46Å; Q38-A41 PolarHBondContact O-N 3.07Å; Q38-S79 VanDerWaalsContact OE1-CA 3.29Å; Q38-Y81 HydrophobicContact CG-CE2 3.91Å
39Q92Very high93.3Very high154 Ų15446.3 Ų46.372%0.7223%0.229SC*.G310 helixtrans-63.4-26.5174.267.1-171.413.500113.7S37S37-Q39 PolarHBondContact O-N 2.87Å
40F93.5Very high92.8Very high26 Ų2648.4 Ų48.411%0.11423%0.233CC..G310 helixtrans-102.720.9177-51.3-53.6000112.3E5 V8 S37 Q38 P42 Q43 I44E5-F40 HydrophobicContact CB-CD1 4.09Å; E5-F40 HydrophobicContact CB-CE1 3.57Å; E5-F40 HydrophobicContact CB-CZ 3.9Å; E5-F40 HydrophobicContact CG-CD1 3.69Å; E5-F40 HydrophobicContact CG-CE1 3.72Å; E5-F40 HydrophobicContact CG-CG 4.38Å; E5-F40 HydrophobicContact CG-CZ 4.4Å; V8-F40 HydrophobicContact CB-CD2 4.07Å; V8-F40 HydrophobicContact CB-CE2 4.08Å; V8-F40 HydrophobicContact CG1-CD2 3.87Å; V8-F40 HydrophobicContact CG1-CE2 4.28Å; V8-F40 HydrophobicContact CG2-CE2 4.08Å; S37-F40 PolarHBondContact O-N 2.89Å; Q38-F40 PolarHBondContact O-N 2.98Å; F40-P42 VanDerWaalsContact C-CD 3.48Å; F40-Q43 PolarHBondContact O-N 2.87Å; F40-Q43 VanDerWaalsContact O-N 3.1Å; F40-Q43 PolarHBondContact O-OE1 2.78Å; F40-I44 HydrophobicContact CB-CD1 4.3Å; F40-I44 PolarHBondContact O-N 2.89Å
41A94.1Very high92.1Very high0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-55.6-39.8-175.300000115.1Q38 Q43 I44 V45 P80 Y81 L84Q38-A41 WeakPolarHBondContact O-CB 3.46Å; Q38-A41 PolarHBondContact O-N 3.07Å; A41-Q43 VanDerWaalsContact C-N 3.31Å; A41-Q43 PolarHBondContact O-N 2.87Å; A41-I44 PolarHBondContact O-N 2.8Å; A41-V45 WeakPolarHBondContact O-CB 3.39Å; A41-V45 VanDerWaalsContact O-CG2 3.27Å; A41-V45 WeakPolarHBondContact O-CG2 3.36Å; A41-V45 PolarHBondContact O-N 2.88Å; A41-P80 HydrophobicContact CB-CG 3.66Å; A41-Y81 VanDerWaalsContact CA-CE1 3.48Å; A41-Y81 HydrophobicContact CB-CD1 3.79Å; A41-Y81 HydrophobicContact CB-CE1 3.33Å; A41-Y81 HydrophobicContact CB-CE2 4.32Å; A41-Y81 HydrophobicContact CB-CG 4.43Å; A41-L84 HydrophobicContact CB-CD1 3.85Å
42P94.4Very high90.8Very high68 Ų6849.1 Ų49.144%0.44224%0.236SC..Hα-helixtrans-57-42.5174.3-2534.2000113.2F40 E46 L84F40-P42 VanDerWaalsContact C-CD 3.48Å; P42-E46 WeakPolarHBondContact O-CB 3.33Å; P42-E46 PolarHBondContact O-N 2.86Å; P42-L84 HydrophobicContact CB-CD2 4.49Å; P42-L84 HydrophobicContact CG-CD1 4.22Å; P42-L84 HydrophobicContact CG-CD2 4.45Å
43Q94.1Very high89.4Confident51 Ų5149.1 Ų49.124%0.23824%0.242CC..Hα-helixtrans-72.6-40.4-178.7-60.486.7-31.800111.3E5 I9 F40 A41 E46 V47E5-Q43 PolarHBondContact OE1-NE2 3.03Å; I9-Q43 HydrophobicContact CD1-CB 3.47Å; I9-Q43 VanDerWaalsContact CD1-CB 3.47Å; I9-Q43 HydrophobicContact CD1-CG 3.71Å; I9-Q43 HydrophobicContact CG1-CB 3.92Å; F40-Q43 PolarHBondContact O-N 2.87Å; F40-Q43 VanDerWaalsContact O-N 3.1Å; F40-Q43 PolarHBondContact O-OE1 2.78Å; A41-Q43 VanDerWaalsContact C-N 3.31Å; A41-Q43 PolarHBondContact O-N 2.87Å; Q43-E46 PolarHBondContact O-N 3Å; Q43-V47 WeakPolarHBondContact O-CG2 3.39Å; Q43-V47 PolarHBondContact O-N 3.41Å
44I94.4Very high87.5Confident1 Ų152.5 Ų52.51%0.00526%0.259CS..Hα-helixtrans-63.9-43.2175-70.9167.3000111Y12 A34 F40 A41 E46 V47 I48 Y81Y12-I44 HydrophobicContact CD1-CG2 4.16Å; Y12-I44 HydrophobicContact CD2-CD1 4.4Å; Y12-I44 HydrophobicContact CD2-CG1 4.41Å; Y12-I44 HydrophobicContact CD2-CG2 4.29Å; Y12-I44 HydrophobicContact CE1-CG2 3.86Å; Y12-I44 HydrophobicContact CE2-CG2 3.99Å; Y12-I44 HydrophobicContact CG-CG1 4.35Å; Y12-I44 HydrophobicContact CG-CG2 4.39Å; A34-I44 HydrophobicContact CB-CG2 4.46Å; F40-I44 HydrophobicContact CB-CD1 4.3Å; F40-I44 PolarHBondContact O-N 2.89Å; A41-I44 PolarHBondContact O-N 2.8Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 2.85Å; I44-V47 PolarHBondContact O-N 3.01Å; I44-I48 HydrophobicContact CG2-CD1 3.89Å; I44-I48 VanDerWaalsContact O-CG1 3.3Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 2.98Å; I44-Y81 HydrophobicContact CB-CE1 4.15Å; I44-Y81 WeakPolarHBondContact CD1-OH 3.45Å; I44-Y81 HydrophobicContact CG2-CE1 3.91Å
45V94.2Very high85.6Confident7 Ų756 Ų564%0.04228%0.278CS..Hα-helixtrans-61.2-43.8172.8170.40000110.8A41 V47 I48 E49 Y81 L84 F85A41-V45 WeakPolarHBondContact O-CB 3.39Å; A41-V45 VanDerWaalsContact O-CG2 3.27Å; A41-V45 WeakPolarHBondContact O-CG2 3.36Å; A41-V45 PolarHBondContact O-N 2.88Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 2.77Å; V45-I48 PolarHBondContact O-N 3.32Å; V45-E49 HydrophobicContact CG1-CG 4.17Å; V45-E49 WeakPolarHBondContact O-CB 3.38Å; V45-E49 WeakPolarHBondContact O-CG 3.39Å; V45-E49 PolarHBondContact O-N 2.79Å; V45-Y81 HydrophobicContact CG2-CD1 3.64Å; V45-Y81 HydrophobicContact CG2-CE1 4.18Å; V45-L84 HydrophobicContact CB-CB 4.3Å; V45-L84 HydrophobicContact CG1-CB 4.16Å; V45-L84 HydrophobicContact CG2-CB 3.78Å; V45-L84 HydrophobicContact CG2-CD1 4.01Å; V45-F85 HydrophobicContact CB-CD1 4.45Å; V45-F85 HydrophobicContact CB-CE1 4.14Å; V45-F85 HydrophobicContact CG1-CD1 3.72Å; V45-F85 HydrophobicContact CG1-CE1 3.81Å; V45-F85 HydrophobicContact CG1-CG 4.46Å; V45-F85 HydrophobicContact CG2-CD1 4.11Å; V45-F85 HydrophobicContact CG2-CD2 4.37Å; V45-F85 HydrophobicContact CG2-CE1 3.79Å; V45-F85 HydrophobicContact CG2-CE2 4.08Å; V45-F85 HydrophobicContact CG2-CG 4.38Å; V45-F85 HydrophobicContact CG2-CZ 3.79Å
46E92.1Very high84Confident88 Ų8857.3 Ų57.341%0.41130%0.297SS..Hα-helixtrans-63.1-38.2178.2-167.6179.6-135.500112.3P42 Q43 I44 R50P42-E46 WeakPolarHBondContact O-CB 3.33Å; P42-E46 PolarHBondContact O-N 2.86Å; Q43-E46 PolarHBondContact O-N 3Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 2.85Å; E46-R50 HydrophobicContact CG-CG 4.25Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.35Å; E46-R50 PolarHBondContact O-N 2.99Å; E46-R50 IonicContact OE1-CZ 3.81Å; E46-R50 IonicContact OE1-NE 4Å; E46-R50 IonicContact OE1-NH1 3.73Å; E46-R50 IonicContact OE1-NH2 2.69Å; E46-R50 PolarHBondContact OE1-NH2 3.17Å; E46-R50 IonicContact OE2-CZ 3.21Å; E46-R50 IonicContact OE2-NE 2.68Å; E46-R50 IonicContact OE2-NH1 2.7Å; E46-R50 PolarHBondContact OE2-NH1 3.18Å; E46-R50 IonicContact OE2-NH2 3.03Å; E46-R50 PolarHBondContact OE2-NH2 3.25Å
47V92.5Very high82.9Confident12 Ų1250.8 Ų50.87%0.07327%0.267CS..Hα-helixtrans-62.2-46.6172.5165.80000111.5I9 Y12 R13 L16 Q43 I44 V45 H51I9-V47 HydrophobicContact CG2-CG2 3.9Å; Y12-V47 HydrophobicContact CD1-CG1 4.37Å; R13-V47 HydrophobicContact CB-CG1 3.9Å; R13-V47 HydrophobicContact CG-CG1 4.12Å; L16-V47 HydrophobicContact CD2-CG1 3.92Å; Q43-V47 WeakPolarHBondContact O-CG2 3.39Å; Q43-V47 PolarHBondContact O-N 3.41Å; I44-V47 PolarHBondContact O-N 3.01Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 2.77Å; V47-H51 WeakPolarHBondContact O-CB 3.46Å; V47-H51 PolarHBondContact O-N 3.25Å
48I92.2Very high82.4Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-64.9-44.8-179.9-67.1164.1000111.2Y12 L16 I44 V45 H51 F52 V65 L68 I69 I72 F85Y12-I48 HydrophobicContact CE1-CD1 3.87Å; Y12-I48 HydrophobicContact CE1-CG1 3.86Å; L16-I48 HydrophobicContact CD2-CG1 4.09Å; I44-I48 HydrophobicContact CG2-CD1 3.89Å; I44-I48 VanDerWaalsContact O-CG1 3.3Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 2.98Å; V45-I48 PolarHBondContact O-N 3.32Å; I48-H51 WeakPolarHBondContact O-CB 3.35Å; I48-H51 PolarHBondContact O-N 2.81Å; I48-F52 HydrophobicContact CG2-CE2 4.49Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.35Å; I48-V65 HydrophobicContact CG2-CG1 3.95Å; I48-L68 HydrophobicContact CD1-CD2 4.31Å; I48-L68 HydrophobicContact CG1-CD2 4.36Å; I48-I69 HydrophobicContact CG2-CD1 3.97Å; I48-I69 HydrophobicContact CG2-CG1 3.78Å; I48-I72 HydrophobicContact CD1-CD1 3.77Å; I48-F85 HydrophobicContact CB-CE1 4.28Å; I48-F85 HydrophobicContact CD1-CE1 4.37Å; I48-F85 HydrophobicContact CD1-CZ 3.84Å; I48-F85 HydrophobicContact CG2-CE1 4Å; I48-F85 HydrophobicContact CG2-CZ 4.35Å
49E88.1Confident82Confident25 Ų2552.9 Ų52.912%0.11729%0.286CS..Hα-helixtrans-70.4-40.7179.7-69-174.5169.500111.9V45 H51 F52 F85 N88V45-E49 HydrophobicContact CG1-CG 4.17Å; V45-E49 WeakPolarHBondContact O-CB 3.38Å; V45-E49 WeakPolarHBondContact O-CG 3.39Å; V45-E49 PolarHBondContact O-N 2.79Å; E49-H51 VanDerWaalsContact C-N 3.28Å; E49-H51 PolarHBondContact O-N 2.75Å; E49-F52 PolarHBondContact O-N 3.48Å; E49-F85 HydrophobicContact CG-CD1 4.47Å; E49-N88 PolarHBondContact OE2-ND2 3.13Å
50R84.9Confident81.5Confident104 Ų10449.5 Ų49.539%0.39228%0.28SS..Hα-helixtrans-63.3-31.4174-77.6176.7174.9155.1-0.3113.1E46 F52 V53 L54E46-R50 HydrophobicContact CG-CG 4.25Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.35Å; E46-R50 PolarHBondContact O-N 2.99Å; E46-R50 IonicContact OE1-CZ 3.81Å; E46-R50 IonicContact OE1-NE 4Å; E46-R50 IonicContact OE1-NH1 3.73Å; E46-R50 IonicContact OE1-NH2 2.69Å; E46-R50 PolarHBondContact OE1-NH2 3.17Å; E46-R50 IonicContact OE2-CZ 3.21Å; E46-R50 IonicContact OE2-NE 2.68Å; E46-R50 IonicContact OE2-NH1 2.7Å; E46-R50 PolarHBondContact OE2-NH1 3.18Å; E46-R50 IonicContact OE2-NH2 3.03Å; E46-R50 PolarHBondContact OE2-NH2 3.25Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 2.86Å; R50-V53 PolarHBondContact O-N 2.85Å; R50-V53 VanDerWaalsContact O-N 3.16Å; R50-L54 HydrophobicContact CB-CD1 4.04Å; R50-L54 HydrophobicContact CG-CD1 3.86Å; R50-L54 PolarHBondContact O-N 2.89Å
51H80.5Confident81.1Confident15 Ų1550.5 Ų50.57%0.06929%0.285CS..Hα-helixtrans-57.7-41.1178.2-174.5109.6000111.6L16 V47 I48 E49 L55 V57L16-H51 HydrophobicContact CD2-CB 3.84Å; L16-H51 PolarHBondContact O-CE1 2.75Å; V47-H51 WeakPolarHBondContact O-CB 3.46Å; V47-H51 PolarHBondContact O-N 3.25Å; I48-H51 WeakPolarHBondContact O-CB 3.35Å; I48-H51 PolarHBondContact O-N 2.81Å; E49-H51 VanDerWaalsContact C-N 3.28Å; E49-H51 PolarHBondContact O-N 2.75Å; H51-L55 HydrophobicContact CB-CD1 4.47Å; H51-V57 VanDerWaalsContact O-CG2 3.3Å; H51-V57 WeakPolarHBondContact O-CG2 3.35Å
52F69.1Low80.8Confident6 Ų651.2 Ų51.23%0.02629%0.288CS..Hα-helixtrans-65.6-42.4174.4-69.3-85.1000113.7I48 E49 R50 K62 V65 L66 I69 T92 V96I48-F52 HydrophobicContact CG2-CE2 4.49Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.35Å; E49-F52 PolarHBondContact O-N 3.48Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 2.86Å; F52-K62 HydrophobicContact CD1-CB 4.25Å; F52-K62 HydrophobicContact CD1-CG 4.3Å; F52-K62 HydrophobicContact CE1-CB 4.2Å; F52-K62 WeakPolarHBondContact CE1-O 3.38Å; F52-V65 HydrophobicContact CD2-CG1 4.16Å; F52-V65 HydrophobicContact CE1-CB 3.89Å; F52-V65 HydrophobicContact CE1-CG1 4.26Å; F52-V65 HydrophobicContact CE2-CB 3.98Å; F52-V65 HydrophobicContact CE2-CG1 3.41Å; F52-V65 VanDerWaalsContact CE2-CG1 3.41Å; F52-V65 HydrophobicContact CZ-CB 3.5Å; F52-V65 VanDerWaalsContact CZ-CB 3.5Å; F52-V65 HydrophobicContact CZ-CG1 3.49Å; F52-V65 VanDerWaalsContact CZ-CG1 3.49Å; F52-L66 HydrophobicContact CE1-CD2 4.42Å; F52-L66 HydrophobicContact CE1-CG 4.09Å; F52-L66 HydrophobicContact CZ-CD2 3.89Å; F52-L66 HydrophobicContact CZ-CG 3.88Å; F52-I69 HydrophobicContact CE2-CD1 3.94Å; F52-I69 HydrophobicContact CZ-CD1 4.37Å; F52-T92 HydrophobicContact CD2-CG2 3.94Å; F52-T92 HydrophobicContact CE2-CG2 3.85Å; F52-T92 HydrophobicContact CG-CG2 4.33Å; F52-T92 HydrophobicContact CZ-CG2 4.15Å; F52-V96 HydrophobicContact CD1-CG2 3.75Å; F52-V96 HydrophobicContact CE1-CG2 3.61Å
53V63.6Low80.6Confident101 Ų10149 Ų4961%0.61227%0.272SS*.Hα-helixtrans-88.9-35.3-162.7178.90000112.5R50R50-V53 PolarHBondContact O-N 2.85Å; R50-V53 VanDerWaalsContact O-N 3.16Å
54L54Low80.4Confident120 Ų12046.8 Ų46.863%0.62826%0.262SS*.Hα-helixtrans-107.3-23-166.7-60.8179.8000115.1R50R50-L54 HydrophobicContact CB-CD1 4.04Å; R50-L54 HydrophobicContact CG-CD1 3.86Å; R50-L54 PolarHBondContact O-N 2.89Å
55L55.3Low80.2Confident74 Ų7446.8 Ų46.839%0.38726%0.262SS..SBendtrans-94.412.2-169.2-62.4178.9000114.8L17 H51 V57L17-L55 HydrophobicContact CD2-CD1 3.94Å; H51-L55 HydrophobicContact CB-CD1 4.47Å; L55-V57 HydrophobicContact CB-CG2 3.74Å; L55-V57 PolarHBondContact O-N 2.92Å; L55-V57 VanDerWaalsContact O-N 3.08Å
56S60.1Low80.1Confident119 Ų11946.4 Ų46.483%0.83226%0.26SS*.  trans50.932.1-178.4-170.70000114.3
57V69.4Low80.2Confident15 Ų1544.8 Ų44.89%0.09125%0.25CS..  trans-60.7130.5-172-177.20000111.5H51 L55 Q61 K62H51-V57 VanDerWaalsContact O-CG2 3.3Å; H51-V57 WeakPolarHBondContact O-CG2 3.35Å; L55-V57 HydrophobicContact CB-CG2 3.74Å; L55-V57 PolarHBondContact O-N 2.92Å; L55-V57 VanDerWaalsContact O-N 3.08Å; V57-Q61 HydrophobicContact CG1-CB 3.65Å; V57-Q61 HydrophobicContact CG1-CG 4.29Å; V57-K62 WeakPolarHBondContact O-CE 3.25Å
58P80.6Confident80.3Confident64 Ų6444.2 Ų44.242%0.41625%0.247SC..  trans-55.2141.6177.3-25.433.7000111.9S60 Q61P58-S60 PolarHBondContact O-N 2.86Å; P58-Q61 HydrophobicContact CB-CG 4.37Å; P58-Q61 PolarHBondContact O-N 3.39Å
59P83.3Confident80.4Confident60 Ų6044.3 Ų44.339%0.3925%0.247SC..Hα-helixtrans-51.9-35.7-176-3136.5000115.2Q61 K62 K99 V100P59-Q61 PolarHBondContact O-N 2.83Å; P59-K62 WeakPolarHBondContact O-CB 3.39Å; P59-K62 PolarHBondContact O-N 3.16Å; P59-K62 VanDerWaalsContact O-N 3.1Å; P59-K99 WeakPolarHBondContact CB-O 3.24Å; P59-K99 VanDerWaalsContact CG-O 3.24Å; P59-K99 WeakPolarHBondContact CG-O 3.37Å; P59-V100 HydrophobicContact CB-CG1 4.14Å
60S81.7Confident80.7Confident84 Ų8444.1 Ų44.159%0.58725%0.247SC*.Hα-helixtrans-58.8-27.1177.8500000114.5P58P58-S60 PolarHBondContact O-N 2.86Å
61Q84.7Confident81.2Confident46 Ų4639.7 Ų39.722%0.21523%0.232CC..Hα-helixtrans-92.5-8.3180-38.8-173.2-2000112.7Q20 V57 P58 P59 P64Q20-Q61 VanDerWaalsContact O-CG 3.3Å; Q20-Q61 WeakPolarHBondContact O-CG 3.4Å; V57-Q61 HydrophobicContact CG1-CB 3.65Å; V57-Q61 HydrophobicContact CG1-CG 4.29Å; P58-Q61 HydrophobicContact CB-CG 4.37Å; P58-Q61 PolarHBondContact O-N 3.39Å; P59-Q61 PolarHBondContact O-N 2.83Å; Q61-P64 VanDerWaalsContact O-CD 3.3Å; Q61-P64 WeakPolarHBondContact O-CD 3.38Å
62K87.4Confident82Confident16 Ų1639 Ų397%0.0723%0.229CC..Hα-helixtrans-70.8-34178.4-62.8-170.3176.5-170.80113F52 V57 P59 V65 L66 H95 V96F52-K62 HydrophobicContact CD1-CB 4.25Å; F52-K62 HydrophobicContact CD1-CG 4.3Å; F52-K62 HydrophobicContact CE1-CB 4.2Å; F52-K62 WeakPolarHBondContact CE1-O 3.38Å; V57-K62 WeakPolarHBondContact O-CE 3.25Å; P59-K62 WeakPolarHBondContact O-CB 3.39Å; P59-K62 PolarHBondContact O-N 3.16Å; P59-K62 VanDerWaalsContact O-N 3.1Å; K62-V65 PolarHBondContact O-N 2.77Å; K62-L66 PolarHBondContact O-N 2.7Å; K62-H95 PolarHBondContact NZ-NE2 3.09Å; K62-V96 HydrophobicContact CB-CG1 3.77Å; K62-V96 HydrophobicContact CB-CG2 4.07Å; K62-V96 HydrophobicContact CD-CG2 4.3Å
63L89.9Confident83.2Confident21 Ų2139.2 Ų39.211%0.1123%0.231CC..Hα-helixtrans-62.9-47.1177179.672.4000112.9V65 L66 Y67 T104 L108L63-V65 VanDerWaalsContact C-N 3.29Å; L63-V65 PolarHBondContact O-N 2.84Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-L66 VanDerWaalsContact O-N 3.11Å; L63-Y67 HydrophobicContact CD1-CE1 3.97Å; L63-Y67 HydrophobicContact CD1-CE2 4.13Å; L63-Y67 HydrophobicContact CD2-CE2 3.76Å; L63-Y67 HydrophobicContact CG-CD2 4.18Å; L63-Y67 HydrophobicContact CG-CE1 4.39Å; L63-Y67 HydrophobicContact CG-CE2 3.65Å; L63-Y67 PolarHBondContact O-N 2.71Å; L63-T104 HydrophobicContact CB-CG2 3.99Å; L63-T104 HydrophobicContact CD1-CG2 4.44Å; L63-T104 HydrophobicContact CD2-CG2 4.18Å; L63-T104 HydrophobicContact CG-CG2 4.43Å; L63-L108 HydrophobicContact CD1-CD2 3.74Å; L63-L108 HydrophobicContact CD1-CG 4.48Å
64P90.6Very high84.6Confident4 Ų438.4 Ų38.43%0.02622%0.219CC..Hα-helixtrans-47.8-42.9171.5-32.233.2000115.4L19 F21 N22 Q61 Y67 L68L19-P64 HydrophobicContact CD1-CB 4.21Å; L19-P64 HydrophobicContact CG-CB 4.01Å; F21-P64 VanDerWaalsContact C-CG 3.42Å; N22-P64 HydrophobicContact CB-CG 4.49Å; Q61-P64 VanDerWaalsContact O-CD 3.3Å; Q61-P64 WeakPolarHBondContact O-CD 3.38Å; P64-Y67 CarbonylContact O-C 3.58Å; P64-Y67 WeakPolarHBondContact O-CB 3.48Å; P64-Y67 PolarHBondContact O-N 3.16Å; P64-L68 PolarHBondContact O-N 3.24Å
65V90.6Very high86.4Confident1 Ų137 Ų371%0.00621%0.212CC..Hα-helixtrans-74.4-29.7-178.8-170.30000111.7L19 I48 F52 K62 L63 Y67 L68 I69L19-V65 HydrophobicContact CD2-CG2 4.34Å; I48-V65 HydrophobicContact CG2-CG1 3.95Å; F52-V65 HydrophobicContact CD2-CG1 4.16Å; F52-V65 HydrophobicContact CE1-CB 3.89Å; F52-V65 HydrophobicContact CE1-CG1 4.26Å; F52-V65 HydrophobicContact CE2-CB 3.98Å; F52-V65 HydrophobicContact CE2-CG1 3.41Å; F52-V65 VanDerWaalsContact CE2-CG1 3.41Å; F52-V65 HydrophobicContact CZ-CB 3.5Å; F52-V65 VanDerWaalsContact CZ-CB 3.5Å; F52-V65 HydrophobicContact CZ-CG1 3.49Å; F52-V65 VanDerWaalsContact CZ-CG1 3.49Å; K62-V65 PolarHBondContact O-N 2.77Å; L63-V65 VanDerWaalsContact C-N 3.29Å; L63-V65 PolarHBondContact O-N 2.84Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 2.91Å; V65-I69 PolarHBondContact O-N 3Å
66L92.7Very high88.2Confident0 Ų033.7 Ų33.70%020%0.195CC..Hα-helixtrans-68.1-32.5167.8-75179.6000112.4F52 K62 L63 L68 I69 D70 T92 V96 L108 L111F52-L66 HydrophobicContact CE1-CD2 4.42Å; F52-L66 HydrophobicContact CE1-CG 4.09Å; F52-L66 HydrophobicContact CZ-CD2 3.89Å; F52-L66 HydrophobicContact CZ-CG 3.88Å; K62-L66 PolarHBondContact O-N 2.7Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-L66 VanDerWaalsContact O-N 3.11Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-I69 HydrophobicContact CD2-CD1 4.36Å; L66-I69 PolarHBondContact O-N 3.46Å; L66-D70 WeakPolarHBondContact O-CB 3.35Å; L66-D70 PolarHBondContact O-N 3.34Å; L66-T92 HydrophobicContact CD2-CG2 4.25Å; L66-V96 HydrophobicContact CD1-CB 3.89Å; L66-V96 HydrophobicContact CD1-CG1 3.77Å; L66-V96 HydrophobicContact CD1-CG2 3.96Å; L66-V96 HydrophobicContact CG-CG2 4.31Å; L66-L108 HydrophobicContact CD1-CD2 3.42Å; L66-L108 VanDerWaalsContact CD1-CD2 3.42Å; L66-L111 HydrophobicContact CB-CD2 3.87Å
67Y93.9Very high89.3Confident53 Ų5333 Ų3321%0.20819%0.188CC..Hα-helixtrans-70.7-26170.5-65.5-31000113.1N22 L63 P64 V65 S71 L111N22-Y67 WeakPolarHBondContact ND2-CE2 3.23Å; L63-Y67 HydrophobicContact CD1-CE1 3.97Å; L63-Y67 HydrophobicContact CD1-CE2 4.13Å; L63-Y67 HydrophobicContact CD2-CE2 3.76Å; L63-Y67 HydrophobicContact CG-CD2 4.18Å; L63-Y67 HydrophobicContact CG-CE1 4.39Å; L63-Y67 HydrophobicContact CG-CE2 3.65Å; L63-Y67 PolarHBondContact O-N 2.71Å; P64-Y67 CarbonylContact O-C 3.58Å; P64-Y67 WeakPolarHBondContact O-CB 3.48Å; P64-Y67 PolarHBondContact O-N 3.16Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-S71 WeakPolarHBondContact O-CB 3.2Å; Y67-S71 PolarHBondContact O-N 3.03Å; Y67-L111 HydrophobicContact CD1-CD1 3.84Å; Y67-L111 HydrophobicContact CD1-CD2 3.92Å; Y67-L111 HydrophobicContact CD1-CG 4.43Å; Y67-L111 HydrophobicContact CE1-CB 4.33Å; Y67-L111 HydrophobicContact CE1-CD1 3.96Å; Y67-L111 HydrophobicContact CE1-CD2 4Å; Y67-L111 HydrophobicContact CE1-CG 4.33Å
68L94.7Very high90Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-67.4-48.8168176.160.8000111.7L16 L19 I27 L30 I48 P64 V65 L66 D70 S71 I72L16-L68 HydrophobicContact CD1-CD2 3.54Å; L19-L68 HydrophobicContact CD2-CB 3.89Å; L19-L68 HydrophobicContact CD2-CD2 3.98Å; L19-L68 HydrophobicContact CD2-CG 4.5Å; I27-L68 HydrophobicContact CG2-CD1 4.45Å; L30-L68 HydrophobicContact CB-CD1 3.51Å; L30-L68 HydrophobicContact CB-CD2 4.03Å; L30-L68 HydrophobicContact CB-CG 4.43Å; L30-L68 HydrophobicContact CD1-CD2 4.05Å; I48-L68 HydrophobicContact CD1-CD2 4.31Å; I48-L68 HydrophobicContact CG1-CD2 4.36Å; P64-L68 PolarHBondContact O-N 3.24Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 2.91Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L68-D70 VanDerWaalsContact C-N 3.28Å; L68-D70 PolarHBondContact O-N 2.97Å; L68-S71 WeakPolarHBondContact O-CB 3.18Å; L68-S71 PolarHBondContact O-N 2.8Å; L68-S71 VanDerWaalsContact O-N 3.13Å; L68-I72 HydrophobicContact CD1-CD1 3.83Å; L68-I72 HydrophobicContact CD1-CG1 4.07Å; L68-I72 HydrophobicContact CG-CD1 3.89Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.03Å
69I94.1Very high90.4Very high2 Ų238.8 Ų38.81%0.0121%0.21CC..Hα-helixtrans-55.7-46.8175.2-67.7177.6000110.2I48 F52 V65 L66 S71 I72 V73 F85I48-I69 HydrophobicContact CG2-CD1 3.97Å; I48-I69 HydrophobicContact CG2-CG1 3.78Å; F52-I69 HydrophobicContact CE2-CD1 3.94Å; F52-I69 HydrophobicContact CZ-CD1 4.37Å; V65-I69 PolarHBondContact O-N 3Å; L66-I69 HydrophobicContact CD2-CD1 4.36Å; L66-I69 PolarHBondContact O-N 3.46Å; I69-S71 PolarHBondContact O-N 2.96Å; I69-I72 PolarHBondContact O-N 2.87Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 2.85Å; I69-F85 HydrophobicContact CD1-CD1 4.05Å; I69-F85 HydrophobicContact CD1-CE1 3.95Å; I69-F85 HydrophobicContact CG1-CD1 4.14Å; I69-F85 HydrophobicContact CG1-CE1 3.72Å; I69-F85 HydrophobicContact CG1-CE2 4.49Å; I69-F85 HydrophobicContact CG1-CZ 3.91Å; I69-F85 HydrophobicContact CG2-CB 4.42Å; I69-F85 HydrophobicContact CG2-CD1 4.19Å; I69-F85 HydrophobicContact CG2-CD2 4.02Å; I69-F85 HydrophobicContact CG2-CE1 4.44Å; I69-F85 HydrophobicContact CG2-CE2 4.28Å; I69-F85 HydrophobicContact CG2-CG 3.98Å; I69-F85 HydrophobicContact CG2-CZ 4.48Å
70D94.6Very high90.9Very high21 Ų2138.9 Ų38.911%0.11221%0.21CC..Hα-helixtrans-56.2-44.8175.5-175.764.2000113.4L66 L68 K74 L111 W115L66-D70 WeakPolarHBondContact O-CB 3.35Å; L66-D70 PolarHBondContact O-N 3.34Å; L68-D70 VanDerWaalsContact C-N 3.28Å; L68-D70 PolarHBondContact O-N 2.97Å; D70-K74 WeakPolarHBondContact O-CB 3.3Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 VanDerWaalsContact O-CG 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 2.87Å; D70-K74 WeakPolarHBondContact OD1-CE 3.5Å; D70-K74 IonicContact OD1-NZ 3.5Å; D70-K74 PolarHBondContact OD1-NZ 3.42Å; D70-K74 IonicContact OD2-NZ 2.72Å; D70-K74 PolarHBondContact OD2-NZ 3.18Å; D70-L111 HydrophobicContact CB-CD1 3.82Å; D70-W115 VanDerWaalsContact OD1-CD1 3.29Å; D70-W115 PolarHBondContact OD1-NE1 3.08Å
71S95.6Very high91.6Very high11 Ų1134.9 Ų34.98%0.07718%0.182CC..Hα-helixtrans-64.5-44.8177.5-174.10000111.8T31 Y67 L68 I69 K74 N75T31-S71 VanDerWaalsContact OG1-CB 3.32Å; T31-S71 WeakPolarHBondContact OG1-CB 3.39Å; T31-S71 PolarHBondContact OG1-OG 3.28Å; Y67-S71 WeakPolarHBondContact O-CB 3.2Å; Y67-S71 PolarHBondContact O-N 3.03Å; L68-S71 WeakPolarHBondContact O-CB 3.18Å; L68-S71 PolarHBondContact O-N 2.8Å; L68-S71 VanDerWaalsContact O-N 3.13Å; I69-S71 PolarHBondContact O-N 2.96Å; S71-K74 PolarHBondContact O-N 2.9Å; S71-N75 WeakPolarHBondContact O-CB 3.37Å; S71-N75 PolarHBondContact O-N 2.94Å; S71-N75 PolarHBondContact O-ND2 3.31Å; S71-N75 PolarHBondContact OG-ND2 3Å
72I95.7Very high91.9Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-63.8-48.1179.4-64.4166.7000110.7T31 A34 I48 L68 I69 K74 N75 C76 Y81 F85T31-I72 HydrophobicContact CG2-CG1 4.38Å; A34-I72 HydrophobicContact CB-CD1 4.09Å; A34-I72 HydrophobicContact CB-CG1 4.21Å; I48-I72 HydrophobicContact CD1-CD1 3.77Å; L68-I72 HydrophobicContact CD1-CD1 3.83Å; L68-I72 HydrophobicContact CD1-CG1 4.07Å; L68-I72 HydrophobicContact CG-CD1 3.89Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.03Å; I69-I72 PolarHBondContact O-N 2.87Å; I72-K74 PolarHBondContact O-N 3.1Å; I72-N75 PolarHBondContact O-N 3.32Å; I72-C76 HydrophobicContact CG2-CB 4.48Å; I72-C76 WeakPolarHBondContact O-CB 3.39Å; I72-C76 PolarHBondContact O-N 2.93Å; I72-Y81 HydrophobicContact CG2-CD1 4.14Å; I72-Y81 HydrophobicContact CG2-CD2 3.42Å; I72-Y81 VanDerWaalsContact CG2-CD2 3.42Å; I72-Y81 HydrophobicContact CG2-CE2 4.12Å; I72-Y81 HydrophobicContact CG2-CG 3.48Å; I72-Y81 VanDerWaalsContact CG2-CG 3.48Å; I72-F85 HydrophobicContact CB-CE2 4.29Å; I72-F85 HydrophobicContact CD1-CE2 4.42Å; I72-F85 HydrophobicContact CD1-CZ 4.32Å; I72-F85 HydrophobicContact CG2-CE2 4.04Å
73V94.2Very high92.2Very high12 Ų1241.1 Ų41.17%0.07321%0.214CC..Hα-helixtrans-72.3-12.5-178.2-56.40000114.2I69 F85 I118 F119I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 2.85Å; V73-F85 HydrophobicContact CG1-CD2 3.71Å; V73-F85 HydrophobicContact CG1-CE2 4.34Å; V73-I118 HydrophobicContact CB-CG2 4.15Å; V73-I118 HydrophobicContact CG2-CD1 4.12Å; V73-I118 HydrophobicContact CG2-CG2 3.97Å; V73-F119 HydrophobicContact CB-CZ 4.5Å; V73-F119 HydrophobicContact CG1-CZ 4.19Å; V73-F119 HydrophobicContact CG2-CE2 4.42Å; V73-F119 HydrophobicContact CG2-CZ 4.36Å
74K93.2Very high92.4Very high83 Ų8341.3 Ų41.336%0.36122%0.215SC..Hα-helixtrans-92.8-39.4172.8-75.9173-179.7164.30113.4D70 S71 I72 T114 I118D70-K74 WeakPolarHBondContact O-CB 3.3Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 VanDerWaalsContact O-CG 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 2.87Å; D70-K74 WeakPolarHBondContact OD1-CE 3.5Å; D70-K74 IonicContact OD1-NZ 3.5Å; D70-K74 PolarHBondContact OD1-NZ 3.42Å; D70-K74 IonicContact OD2-NZ 2.72Å; D70-K74 PolarHBondContact OD2-NZ 3.18Å; S71-K74 PolarHBondContact O-N 2.9Å; I72-K74 PolarHBondContact O-N 3.1Å; K74-T114 PolarHBondContact NZ-OG1 2.92Å; K74-I118 HydrophobicContact CD-CD1 4.23Å; K74-I118 HydrophobicContact CG-CD1 3.47Å; K74-I118 VanDerWaalsContact CG-CD1 3.47Å
75N93.3Very high92.6Very high91 Ų9141.1 Ų41.149%0.48721%0.214SC..Hα-helixtrans-96.9-19.5-171.4-63.4-66.9000113.9T31 S71 I72 P77T31-N75 HydrophobicContact CG2-CB 3.89Å; S71-N75 WeakPolarHBondContact O-CB 3.37Å; S71-N75 PolarHBondContact O-N 2.94Å; S71-N75 PolarHBondContact O-ND2 3.31Å; S71-N75 PolarHBondContact OG-ND2 3Å; I72-N75 PolarHBondContact O-N 3.32Å; N75-P77 WeakPolarHBondContact O-CD 3.24Å
76C91.6Very high92.7Very high4 Ų441.2 Ų41.23%0.02722%0.215CC..  trans-108.763.4179.2-49.10000111.9I72 E78 S79 Y81I72-C76 HydrophobicContact CG2-CB 4.48Å; I72-C76 WeakPolarHBondContact O-CB 3.39Å; I72-C76 PolarHBondContact O-N 2.93Å; C76-E78 VanDerWaalsContact C-N 3.32Å; C76-E78 PolarHBondContact O-N 3.05Å; C76-S79 VanDerWaalsContact O-CB 3.31Å; C76-S79 WeakPolarHBondContact O-CB 3.37Å; C76-S79 PolarHBondContact O-N 2.87Å; C76-S79 PolarHBondContact O-OG 2.62Å; C76-Y81 HydrophobicContact CB-CD2 4.16Å
77P83.7Confident92.6Very high105 Ų10548 Ų4868%0.68224%0.244SC*.THydrogen-bonded Turntrans-70.2-22.6-168.329.9-37.9000114.9N75 S79N75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-S79 VanDerWaalsContact C-N 3.32Å
78E84.4Confident92.4Very high189 Ų18948.8 Ų48.888%0.88325%0.252SS*.THydrogen-bonded Turntrans-91.84.3-179.8-65.5175.8-168.900112.4C76C76-E78 VanDerWaalsContact C-N 3.32Å; C76-E78 PolarHBondContact O-N 3.05Å
79S88.7Confident92.3Very high12 Ų1249 Ų498%0.08425%0.253CS..SBendtrans-95157-17477.40000113.9Q38 C76 P77 Y81Q38-S79 VanDerWaalsContact OE1-CA 3.29Å; C76-S79 VanDerWaalsContact O-CB 3.31Å; C76-S79 WeakPolarHBondContact O-CB 3.37Å; C76-S79 PolarHBondContact O-N 2.87Å; C76-S79 PolarHBondContact O-OG 2.62Å; P77-S79 VanDerWaalsContact C-N 3.32Å; S79-Y81 PolarHBondContact O-N 3.43Å; S79-Y81 WeakPolarHBondContact OG-CB 3.44Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.48Å; S79-Y81 PolarHBondContact OG-N 3.4Å
80P94Very high92.2Very high61 Ų6150.5 Ų50.540%0.39626%0.261SS..THydrogen-bonded Turntrans-73.3-6.5171.332.1-37.3000113.9A41 K82 D83 L84A41-P80 HydrophobicContact CB-CG 3.66Å; P80-K82 PolarHBondContact O-N 3.46Å; P80-K82 VanDerWaalsContact O-N 3.15Å; P80-D83 PolarHBondContact O-N 3.45Å; P80-D83 VanDerWaalsContact O-N 3.08Å; P80-L84 HydrophobicContact CB-CD1 4.17Å; P80-L84 HydrophobicContact CG-CD1 4.31Å; P80-L84 WeakPolarHBondContact O-CG 3.25Å; P80-L84 PolarHBondContact O-N 2.91Å
81Y95.6Very high92Very high0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-53.3-39.7-176.9-70.9-58.4000112.7A34 Q38 A41 I44 V45 I72 C76 S79 D83 L84 F85A34-Y81 WeakPolarHBondContact CA-OH 3.43Å; A34-Y81 HydrophobicContact CB-CE2 3.89Å; A34-Y81 WeakPolarHBondContact O-CE2 3.16Å; A34-Y81 PolarHBondContact O-OH 3.25Å; Q38-Y81 HydrophobicContact CG-CE2 3.91Å; A41-Y81 VanDerWaalsContact CA-CE1 3.48Å; A41-Y81 HydrophobicContact CB-CD1 3.79Å; A41-Y81 HydrophobicContact CB-CE1 3.33Å; A41-Y81 HydrophobicContact CB-CE2 4.32Å; A41-Y81 HydrophobicContact CB-CG 4.43Å; I44-Y81 HydrophobicContact CB-CE1 4.15Å; I44-Y81 WeakPolarHBondContact CD1-OH 3.45Å; I44-Y81 HydrophobicContact CG2-CE1 3.91Å; V45-Y81 HydrophobicContact CG2-CD1 3.64Å; V45-Y81 HydrophobicContact CG2-CE1 4.18Å; I72-Y81 HydrophobicContact CG2-CD1 4.14Å; I72-Y81 HydrophobicContact CG2-CD2 3.42Å; I72-Y81 VanDerWaalsContact CG2-CD2 3.42Å; I72-Y81 HydrophobicContact CG2-CE2 4.12Å; I72-Y81 HydrophobicContact CG2-CG 3.48Å; I72-Y81 VanDerWaalsContact CG2-CG 3.48Å; C76-Y81 HydrophobicContact CB-CD2 4.16Å; S79-Y81 PolarHBondContact O-N 3.43Å; S79-Y81 WeakPolarHBondContact OG-CB 3.44Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.48Å; S79-Y81 PolarHBondContact OG-N 3.4Å; Y81-D83 PolarHBondContact O-N 3.49Å; Y81-L84 PolarHBondContact O-N 2.72Å; Y81-F85 HydrophobicContact CD1-CE2 4.31Å; Y81-F85 WeakPolarHBondContact O-CD2 3.48Å; Y81-F85 PolarHBondContact O-N 3.44Å
82K92.7Very high91.8Very high82 Ų8255 Ų5536%0.35729%0.285SS..Hα-helixtrans-55-49.6177.7178.3175.4177.4166.30112.2P80 A86 I118 F119P80-K82 PolarHBondContact O-N 3.46Å; P80-K82 VanDerWaalsContact O-N 3.15Å; K82-A86 WeakPolarHBondContact O-CB 3.22Å; K82-A86 PolarHBondContact O-N 3.36Å; K82-A86 VanDerWaalsContact O-N 3.15Å; K82-I118 WeakPolarHBondContact CE-O 3.25Å; K82-I118 PolarHBondContact NZ-O 3.21Å; K82-F119 HydrophobicContact CG-CE1 4.21Å
83D92.8Very high91.6Very high111 Ų11155 Ų5559%0.59429%0.285SS*.Hα-helixtrans-83.7-17.6-176.6-69.8-42.4000113.3P80 Y81P80-D83 PolarHBondContact O-N 3.45Å; P80-D83 VanDerWaalsContact O-N 3.08Å; Y81-D83 PolarHBondContact O-N 3.49Å
84L94.7Very high91.6Very high25 Ų2555.6 Ų55.613%0.13129%0.288CS..Hα-helixtrans-73.4-61.1169.6-68.3168.3000111.1A41 P42 V45 P80 Y81 A86 K87A41-L84 HydrophobicContact CB-CD1 3.85Å; P42-L84 HydrophobicContact CB-CD2 4.49Å; P42-L84 HydrophobicContact CG-CD1 4.22Å; P42-L84 HydrophobicContact CG-CD2 4.45Å; V45-L84 HydrophobicContact CB-CB 4.3Å; V45-L84 HydrophobicContact CG1-CB 4.16Å; V45-L84 HydrophobicContact CG2-CB 3.78Å; V45-L84 HydrophobicContact CG2-CD1 4.01Å; P80-L84 HydrophobicContact CB-CD1 4.17Å; P80-L84 HydrophobicContact CG-CD1 4.31Å; P80-L84 WeakPolarHBondContact O-CG 3.25Å; P80-L84 PolarHBondContact O-N 2.91Å; Y81-L84 PolarHBondContact O-N 2.72Å; L84-A86 PolarHBondContact O-N 3.09Å; L84-K87 WeakPolarHBondContact O-CB 3.28Å; L84-K87 WeakPolarHBondContact O-CG 3.46Å; L84-K87 PolarHBondContact O-N 2.82Å
85F93.7Very high91.4Very high1 Ų155 Ų550%0.00429%0.286CS..Hα-helixtrans-57.5-35177.4-70.3-56.4000112V45 I48 E49 I69 I72 V73 Y81 K87 N88 L89V45-F85 HydrophobicContact CB-CD1 4.45Å; V45-F85 HydrophobicContact CB-CE1 4.14Å; V45-F85 HydrophobicContact CG1-CD1 3.72Å; V45-F85 HydrophobicContact CG1-CE1 3.81Å; V45-F85 HydrophobicContact CG1-CG 4.46Å; V45-F85 HydrophobicContact CG2-CD1 4.11Å; V45-F85 HydrophobicContact CG2-CD2 4.37Å; V45-F85 HydrophobicContact CG2-CE1 3.79Å; V45-F85 HydrophobicContact CG2-CE2 4.08Å; V45-F85 HydrophobicContact CG2-CG 4.38Å; V45-F85 HydrophobicContact CG2-CZ 3.79Å; I48-F85 HydrophobicContact CB-CE1 4.28Å; I48-F85 HydrophobicContact CD1-CE1 4.37Å; I48-F85 HydrophobicContact CD1-CZ 3.84Å; I48-F85 HydrophobicContact CG2-CE1 4Å; I48-F85 HydrophobicContact CG2-CZ 4.35Å; E49-F85 HydrophobicContact CG-CD1 4.47Å; I69-F85 HydrophobicContact CD1-CD1 4.05Å; I69-F85 HydrophobicContact CD1-CE1 3.95Å; I69-F85 HydrophobicContact CG1-CD1 4.14Å; I69-F85 HydrophobicContact CG1-CE1 3.72Å; I69-F85 HydrophobicContact CG1-CE2 4.49Å; I69-F85 HydrophobicContact CG1-CZ 3.91Å; I69-F85 HydrophobicContact CG2-CB 4.42Å; I69-F85 HydrophobicContact CG2-CD1 4.19Å; I69-F85 HydrophobicContact CG2-CD2 4.02Å; I69-F85 HydrophobicContact CG2-CE1 4.44Å; I69-F85 HydrophobicContact CG2-CE2 4.28Å; I69-F85 HydrophobicContact CG2-CG 3.98Å; I69-F85 HydrophobicContact CG2-CZ 4.48Å; I72-F85 HydrophobicContact CB-CE2 4.29Å; I72-F85 HydrophobicContact CD1-CE2 4.42Å; I72-F85 HydrophobicContact CD1-CZ 4.32Å; I72-F85 HydrophobicContact CG2-CE2 4.04Å; V73-F85 HydrophobicContact CG1-CD2 3.71Å; V73-F85 HydrophobicContact CG1-CE2 4.34Å; Y81-F85 HydrophobicContact CD1-CE2 4.31Å; Y81-F85 WeakPolarHBondContact O-CD2 3.48Å; Y81-F85 PolarHBondContact O-N 3.44Å; F85-K87 PolarHBondContact O-N 2.89Å; F85-N88 PolarHBondContact O-N 2.89Å; F85-N88 VanDerWaalsContact O-N 3.16Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.3Å; F85-L89 PolarHBondContact O-N 3.38Å
86A92.4Very high91.3Very high3 Ų350.6 Ų50.63%0.02526%0.263CS..Hα-helixtrans-55.7-17176.700000115.2K82 L84 F119 R123K82-A86 WeakPolarHBondContact O-CB 3.22Å; K82-A86 PolarHBondContact O-N 3.36Å; K82-A86 VanDerWaalsContact O-N 3.15Å; L84-A86 PolarHBondContact O-N 3.09Å; A86-F119 HydrophobicContact CB-CD1 4.45Å; A86-F119 HydrophobicContact CB-CE1 4.11Å; A86-R123 PolarHBondContact O-NE 3.04Å; A86-R123 PolarHBondContact O-NH2 3.37Å
87K91.3Very high91.3Very high143 Ų14350.4 Ų50.462%0.62226%0.262SS*.Hα-helixtrans-71.3-52.3175-62.4170.5-173.1178.20111.1L84 F85L84-K87 WeakPolarHBondContact O-CB 3.28Å; L84-K87 WeakPolarHBondContact O-CG 3.46Å; L84-K87 PolarHBondContact O-N 2.82Å; F85-K87 PolarHBondContact O-N 2.89Å
88N90.2Very high91.7Very high69 Ų6948.6 Ų48.637%0.36925%0.246SC..Hα-helixtrans-103.6-10-172-66.8-32.2000114.2E49 F85 I90 N91 T92E49-N88 PolarHBondContact OE2-ND2 3.13Å; F85-N88 PolarHBondContact O-N 2.89Å; F85-N88 VanDerWaalsContact O-N 3.16Å; N88-I90 PolarHBondContact O-N 3.11Å; N88-N91 WeakPolarHBondContact O-CA 3.49Å; N88-N91 WeakPolarHBondContact O-CB 3.37Å; N88-N91 PolarHBondContact O-N 3.46Å; N88-T92 PolarHBondContact O-N 2.93Å; N88-T92 PolarHBondContact O-OG1 3.42Å
89L91.5Very high91.9Very high4 Ų444.7 Ų44.72%0.02123%0.226CC..Hα-helixtrans-41.2-44.3-176.6-173.170.5000114.8F85 F93 W115 F119 I127F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.3Å; F85-L89 PolarHBondContact O-N 3.38Å; L89-F93 VanDerWaalsContact O-CB 3.23Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.4Å; L89-W115 HydrophobicContact CD1-CH2 3.77Å; L89-W115 HydrophobicContact CD1-CZ3 3.78Å; L89-W115 HydrophobicContact CD2-CE3 4.33Å; L89-W115 HydrophobicContact CD2-CZ3 4.2Å; L89-W115 HydrophobicContact CG-CZ3 4.17Å; L89-F119 HydrophobicContact CD1-CE2 4.33Å; L89-F119 HydrophobicContact CD2-CD1 4.36Å; L89-F119 HydrophobicContact CD2-CD2 3.53Å; L89-F119 HydrophobicContact CD2-CE1 4.26Å; L89-F119 HydrophobicContact CD2-CE2 3.42Å; L89-F119 VanDerWaalsContact CD2-CE2 3.42Å; L89-F119 HydrophobicContact CD2-CG 4.03Å; L89-F119 HydrophobicContact CD2-CZ 3.81Å; L89-I127 HydrophobicContact CD2-CD1 4.11Å; L89-I127 HydrophobicContact CG-CD1 4.25Å
90I92Very high92Very high33 Ų3344.6 Ų44.617%0.16923%0.225CC..Hα-helixtrans-63.5-50.7-179.6-56.4170000110N88 F93 V94 R123 R126 I127 K130N88-I90 PolarHBondContact O-N 3.11Å; I90-F93 PolarHBondContact O-N 2.82Å; I90-V94 HydrophobicContact CG2-CG2 4.4Å; I90-V94 WeakPolarHBondContact O-CB 3.18Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 3.19Å; I90-R123 HydrophobicContact CD1-CG 4.38Å; I90-R123 HydrophobicContact CG1-CG 4.38Å; I90-R126 HydrophobicContact CD1-CB 3.89Å; I90-I127 HydrophobicContact CB-CG1 4.39Å; I90-I127 HydrophobicContact CG1-CG1 3.94Å; I90-I127 HydrophobicContact CG2-CG1 4.42Å; I90-K130 HydrophobicContact CG2-CG 4.5Å
91N91.6Very high91.9Very high112 Ų11245.6 Ų45.660%0.59923%0.227SC*.Hα-helixtrans-64.1-43.6-179.5-60.9-16.5000110.9N88 H95N88-N91 WeakPolarHBondContact O-CA 3.49Å; N88-N91 WeakPolarHBondContact O-CB 3.37Å; N88-N91 PolarHBondContact O-N 3.46Å; N91-H95 WeakPolarHBondContact O-CB 3.36Å; N91-H95 PolarHBondContact O-N 3.04Å
92T89.7Confident91.7Very high16 Ų1650.1 Ų50.110%0.09825%0.248CC..Hα-helixtrans-63.2-47.5178.3-52.20000111.4F52 L66 N88 H95 V96F52-T92 HydrophobicContact CD2-CG2 3.94Å; F52-T92 HydrophobicContact CE2-CG2 3.85Å; F52-T92 HydrophobicContact CG-CG2 4.33Å; F52-T92 HydrophobicContact CZ-CG2 4.15Å; L66-T92 HydrophobicContact CD2-CG2 4.25Å; N88-T92 PolarHBondContact O-N 2.93Å; N88-T92 PolarHBondContact O-OG1 3.42Å; T92-H95 PolarHBondContact O-N 2.83Å; T92-V96 WeakPolarHBondContact O-CG2 3.27Å; T92-V96 PolarHBondContact O-N 3.2Å
93F93Very high91.7Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-62.8-46179.5-167.9-83.4000112L89 I90 V96 F97 L108 R112 W115 I127 V131 W138L89-F93 VanDerWaalsContact O-CB 3.23Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.4Å; I90-F93 PolarHBondContact O-N 2.82Å; F93-V96 PolarHBondContact O-N 2.73Å; F93-F97 WeakPolarHBondContact O-CB 3.17Å; F93-F97 PolarHBondContact O-N 3.45Å; F93-L108 HydrophobicContact CE1-CB 4.38Å; F93-L108 HydrophobicContact CE2-CB 4.32Å; F93-L108 HydrophobicContact CE2-CD2 4.45Å; F93-L108 HydrophobicContact CZ-CB 3.78Å; F93-L108 WeakPolarHBondContact CZ-O 3.25Å; F93-R112 HydrophobicContact CE2-CB 4.06Å; F93-R112 HydrophobicContact CZ-CB 3.81Å; F93-W115 AromaticContact CD2-CH2 3.7Å; F93-W115 HydrophobicContact CD2-CH2 3.7Å; F93-W115 AromaticContact CD2-CZ3 3.57Å; F93-W115 HydrophobicContact CD2-CZ3 3.57Å; F93-W115 HydrophobicContact CE2-CH2 4.04Å; F93-W115 AromaticContact CE2-CZ3 3.87Å; F93-W115 HydrophobicContact CE2-CZ3 3.87Å; F93-I127 HydrophobicContact CB-CG2 4.31Å; F93-I127 HydrophobicContact CD1-CG2 3.33Å; F93-I127 HydrophobicContact CE1-CG2 3.7Å; F93-I127 HydrophobicContact CG-CG2 3.86Å; F93-I127 HydrophobicContact CZ-CG2 4.47Å; F93-V131 HydrophobicContact CD1-CG2 3.93Å; F93-V131 HydrophobicContact CE1-CG2 3.95Å; F93-W138 AromaticContact CE1-CH2 3.79Å; F93-W138 HydrophobicContact CE1-CH2 3.79Å; F93-W138 HydrophobicContact CE1-CZ2 4.14Å; F93-W138 AromaticContact CZ-CH2 3.84Å; F93-W138 HydrophobicContact CZ-CH2 3.84Å; F93-W138 HydrophobicContact CZ-CZ2 4.34Å
94V93.1Very high91.5Very high24 Ų2449.5 Ų49.515%0.14524%0.242CC..Hα-helixtrans-65.5-42.6179.7173.60000111I90 V96 F97 D98 K130 V131 I134I90-V94 HydrophobicContact CG2-CG2 4.4Å; I90-V94 WeakPolarHBondContact O-CB 3.18Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 3.19Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 3.21Å; V94-F97 PolarHBondContact O-N 3.28Å; V94-D98 WeakPolarHBondContact O-CB 3.49Å; V94-D98 PolarHBondContact O-N 3.36Å; V94-K130 HydrophobicContact CG2-CB 3.62Å; V94-V131 HydrophobicContact CG2-CG2 4.12Å; V94-I134 HydrophobicContact CG1-CD1 3.67Å
95H89.6Confident91.5Very high69 Ų6950.9 Ų50.932%0.31925%0.245SC..Hα-helixtrans-62.2-35.9174.7174.985.2000112.8K62 N91 T92 K99K62-H95 PolarHBondContact NZ-NE2 3.09Å; N91-H95 WeakPolarHBondContact O-CB 3.36Å; N91-H95 PolarHBondContact O-N 3.04Å; T92-H95 PolarHBondContact O-N 2.83Å; H95-K99 WeakPolarHBondContact O-CG 3.19Å
96V90.6Very high91.5Very high0 Ų055.7 Ų55.70%027%0.268CS..Hα-helixtrans-70.5-47.9173.8178.40000110.2F52 K62 L66 T92 F93 V94 D98 K99 V100 L108F52-V96 HydrophobicContact CD1-CG2 3.75Å; F52-V96 HydrophobicContact CE1-CG2 3.61Å; K62-V96 HydrophobicContact CB-CG1 3.77Å; K62-V96 HydrophobicContact CB-CG2 4.07Å; K62-V96 HydrophobicContact CD-CG2 4.3Å; L66-V96 HydrophobicContact CD1-CB 3.89Å; L66-V96 HydrophobicContact CD1-CG1 3.77Å; L66-V96 HydrophobicContact CD1-CG2 3.96Å; L66-V96 HydrophobicContact CG-CG2 4.31Å; T92-V96 WeakPolarHBondContact O-CG2 3.27Å; T92-V96 PolarHBondContact O-N 3.2Å; F93-V96 PolarHBondContact O-N 2.73Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 3.21Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 PolarHBondContact O-N 2.88Å; V96-K99 PolarHBondContact O-N 2.81Å; V96-K99 VanDerWaalsContact O-N 3.07Å; V96-V100 HydrophobicContact CG1-CG1 3.78Å; V96-V100 WeakPolarHBondContact O-CG1 3.12Å; V96-V100 WeakPolarHBondContact O-CG2 3.26Å; V96-V100 PolarHBondContact O-N 2.86Å; V96-V100 VanDerWaalsContact O-N 3.11Å; V96-L108 HydrophobicContact CG1-CD1 4.22Å; V96-L108 HydrophobicContact CG1-CD2 4.26Å
97F92.9Very high91.5Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-56-42.6179.9-175.3-85.1000113.6F93 V94 K99 R105 L108 V131 I134 D135 W138F93-F97 WeakPolarHBondContact O-CB 3.17Å; F93-F97 PolarHBondContact O-N 3.45Å; V94-F97 PolarHBondContact O-N 3.28Å; F97-K99 VanDerWaalsContact C-N 3.31Å; F97-K99 PolarHBondContact O-N 2.98Å; F97-R105 HydrophobicContact CD2-CB 4.22Å; F97-R105 HydrophobicContact CD2-CG 3.86Å; F97-R105 HydrophobicContact CE1-CG 4.49Å; F97-R105 HydrophobicContact CE2-CB 3.69Å; F97-R105 HydrophobicContact CE2-CG 3.57Å; F97-R105 HydrophobicContact CG-CG 4.43Å; F97-R105 HydrophobicContact CZ-CB 4.28Å; F97-R105 HydrophobicContact CZ-CG 3.92Å; F97-R105 PolarHBondContact O-NE 2.91Å; F97-R105 VanDerWaalsContact O-NE 3.13Å; F97-R105 PolarHBondContact O-NH2 2.86Å; F97-L108 HydrophobicContact CB-CD1 3.91Å; F97-L108 HydrophobicContact CD2-CD1 3.92Å; F97-L108 HydrophobicContact CG-CD1 4.37Å; F97-V131 HydrophobicContact CD1-CG1 3.8Å; F97-V131 HydrophobicContact CD2-CG1 3.65Å; F97-V131 HydrophobicContact CE1-CG1 3.63Å; F97-V131 HydrophobicContact CE2-CG1 3.48Å; F97-V131 VanDerWaalsContact CE2-CG1 3.48Å; F97-V131 HydrophobicContact CG-CG1 3.81Å; F97-V131 HydrophobicContact CG-CG2 4.41Å; F97-V131 HydrophobicContact CZ-CG1 3.47Å; F97-V131 VanDerWaalsContact CZ-CG1 3.47Å; F97-I134 HydrophobicContact CD1-CB 4.42Å; F97-I134 HydrophobicContact CD1-CG2 4.15Å; F97-I134 HydrophobicContact CE1-CB 4.3Å; F97-I134 HydrophobicContact CE1-CG2 4.03Å; F97-D135 HydrophobicContact CE1-CB 3.73Å; F97-D135 HydrophobicContact CZ-CB 3.7Å; F97-W138 HydrophobicContact CD2-CE3 4.37Å; F97-W138 AromaticContact CD2-CZ3 4Å; F97-W138 HydrophobicContact CD2-CZ3 4Å; F97-W138 AromaticContact CE2-CE3 3.63Å; F97-W138 HydrophobicContact CE2-CE3 3.63Å; F97-W138 AromaticContact CE2-CZ3 3.6Å; F97-W138 HydrophobicContact CE2-CZ3 3.6Å; F97-W138 HydrophobicContact CZ-CE3 4.23Å
98D91.9Very high91.6Very high66 Ų6650.1 Ų50.135%0.35325%0.247SC..Hα-helixtrans-60.2-36.3176.1172.653.1000112.9V94 V96 I134V94-D98 WeakPolarHBondContact O-CB 3.49Å; V94-D98 PolarHBondContact O-N 3.36Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 PolarHBondContact O-N 2.88Å; D98-I134 HydrophobicContact CB-CD1 4.2Å
99K88.9Confident91.8Very high107 Ų10749.6 Ų49.647%0.46524%0.242SC..Hα-helixtrans-98.2-11-172.8-60.8-48.4-176.6-145.80115.7P59 H95 V96 F97P59-K99 WeakPolarHBondContact CB-O 3.24Å; P59-K99 VanDerWaalsContact CG-O 3.24Å; P59-K99 WeakPolarHBondContact CG-O 3.37Å; H95-K99 WeakPolarHBondContact O-CG 3.19Å; V96-K99 PolarHBondContact O-N 2.81Å; V96-K99 VanDerWaalsContact O-N 3.07Å; F97-K99 VanDerWaalsContact C-N 3.31Å; F97-K99 PolarHBondContact O-N 2.98Å
100V90.5Very high92Very high10 Ų1056.2 Ų56.26%0.06127%0.27CS..SBendtrans-97.9160.4-178.1-610000113.2P59 V96 T104 R105 L108P59-V100 HydrophobicContact CB-CG1 4.14Å; V96-V100 HydrophobicContact CG1-CG1 3.78Å; V96-V100 WeakPolarHBondContact O-CG1 3.12Å; V96-V100 WeakPolarHBondContact O-CG2 3.26Å; V96-V100 PolarHBondContact O-N 2.86Å; V96-V100 VanDerWaalsContact O-N 3.11Å; V100-T104 HydrophobicContact CB-CG2 3.58Å; V100-T104 HydrophobicContact CG1-CG2 3.79Å; V100-T104 HydrophobicContact CG2-CG2 3.64Å; V100-R105 HydrophobicContact CG2-CG 3.99Å; V100-L108 HydrophobicContact CG2-CD1 3.82Å
101D91.5Very high92.1Very high83 Ų8355 Ų5544%0.44426%0.264SS..  trans-74.9165.7176.773.1-73.5000113K103 T104 R105D101-K103 PolarHBondContact O-N 3.08Å; D101-K103 VanDerWaalsContact OD2-CB 3.25Å; D101-K103 WeakPolarHBondContact OD2-CB 3.42Å; D101-K103 PolarHBondContact OD2-N 3.35Å; D101-K103 VanDerWaalsContact OD2-N 3.07Å; D101-T104 CarbonylContact O-C 3.36Å; D101-T104 WeakPolarHBondContact O-CA 3.46Å; D101-T104 WeakPolarHBondContact O-CB 3.42Å; D101-T104 PolarHBondContact O-N 3.23Å; D101-T104 VanDerWaalsContact OD1-CB 3.27Å; D101-T104 WeakPolarHBondContact OD1-CB 3.39Å; D101-T104 PolarHBondContact OD1-OG1 2.92Å; D101-T104 PolarHBondContact OD2-N 3.18Å; D101-R105 PolarHBondContact O-N 3.23Å
102E91.8Very high92.2Very high94 Ų9449.7 Ų49.744%0.43924%0.235SC..Hα-helixtrans-60-37.7-174.3-178.444.7-136.300114.3T104 R105 Q106E102-T104 PolarHBondContact O-N 3.12Å; E102-R105 WeakPolarHBondContact O-CB 3.23Å; E102-R105 PolarHBondContact O-N 3Å; E102-R105 VanDerWaalsContact O-N 3.16Å; E102-R105 WeakPolarHBondContact OE2-CD 3.48Å; E102-Q106 WeakPolarHBondContact O-CG 3.27Å; E102-Q106 PolarHBondContact O-N 3.07Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.25Å; E102-Q106 PolarHBondContact OE1-NE2 2.84Å
103K91.1Very high92.3Very high162 Ų16251 Ų5170%0.70424%0.241SC*.Hα-helixtrans-65.9-32.5176.1-175-174.3177.6-178.90111.2D101 S107D101-K103 PolarHBondContact O-N 3.08Å; D101-K103 VanDerWaalsContact OD2-CB 3.25Å; D101-K103 WeakPolarHBondContact OD2-CB 3.42Å; D101-K103 PolarHBondContact OD2-N 3.35Å; D101-K103 VanDerWaalsContact OD2-N 3.07Å; K103-S107 PolarHBondContact O-N 3.44Å; K103-S107 PolarHBondContact O-OG 2.8Å
104T90.5Very high92.3Very high19 Ų1954.1 Ų54.112%0.11726%0.26CS..Hα-helixtrans-74.5-37.8173-58.80000111.5L63 V100 D101 E102 Q106 S107 L108L63-T104 HydrophobicContact CB-CG2 3.99Å; L63-T104 HydrophobicContact CD1-CG2 4.44Å; L63-T104 HydrophobicContact CD2-CG2 4.18Å; L63-T104 HydrophobicContact CG-CG2 4.43Å; V100-T104 HydrophobicContact CB-CG2 3.58Å; V100-T104 HydrophobicContact CG1-CG2 3.79Å; V100-T104 HydrophobicContact CG2-CG2 3.64Å; D101-T104 CarbonylContact O-C 3.36Å; D101-T104 WeakPolarHBondContact O-CA 3.46Å; D101-T104 WeakPolarHBondContact O-CB 3.42Å; D101-T104 PolarHBondContact O-N 3.23Å; D101-T104 VanDerWaalsContact OD1-CB 3.27Å; D101-T104 WeakPolarHBondContact OD1-CB 3.39Å; D101-T104 PolarHBondContact OD1-OG1 2.92Å; D101-T104 PolarHBondContact OD2-N 3.18Å; E102-T104 PolarHBondContact O-N 3.12Å; T104-Q106 PolarHBondContact O-N 3.25Å; T104-S107 CarbonylContact O-C 3.44Å; T104-S107 WeakPolarHBondContact O-CA 3.43Å; T104-S107 VanDerWaalsContact O-CB 3.26Å; T104-S107 WeakPolarHBondContact O-CB 3.35Å; T104-S107 PolarHBondContact O-N 3.48Å; T104-L108 WeakPolarHBondContact O-CG 3.33Å; T104-L108 PolarHBondContact O-N 3.38Å
105R93.9Very high92.3Very high53 Ų5353 Ų5320%0.225%0.253CS..Hα-helixtrans-57.8-43.2173.4-69.1179.1172.7-173.8-1.8112.8F97 V100 D101 E102 S107 L108 F109F97-R105 HydrophobicContact CD2-CB 4.22Å; F97-R105 HydrophobicContact CD2-CG 3.86Å; F97-R105 HydrophobicContact CE1-CG 4.49Å; F97-R105 HydrophobicContact CE2-CB 3.69Å; F97-R105 HydrophobicContact CE2-CG 3.57Å; F97-R105 HydrophobicContact CG-CG 4.43Å; F97-R105 HydrophobicContact CZ-CB 4.28Å; F97-R105 HydrophobicContact CZ-CG 3.92Å; F97-R105 PolarHBondContact O-NE 2.91Å; F97-R105 VanDerWaalsContact O-NE 3.13Å; F97-R105 PolarHBondContact O-NH2 2.86Å; V100-R105 HydrophobicContact CG2-CG 3.99Å; D101-R105 PolarHBondContact O-N 3.23Å; E102-R105 WeakPolarHBondContact O-CB 3.23Å; E102-R105 PolarHBondContact O-N 3Å; E102-R105 VanDerWaalsContact O-N 3.16Å; E102-R105 WeakPolarHBondContact OE2-CD 3.48Å; R105-S107 PolarHBondContact O-N 3.37Å; R105-L108 WeakPolarHBondContact O-CB 3.47Å; R105-L108 PolarHBondContact O-N 2.81Å; R105-L108 VanDerWaalsContact O-N 3.1Å; R105-F109 PolarHBondContact O-N 2.87Å
106Q92.9Very high92.3Very high102 Ų10250.1 Ų50.148%0.47724%0.24SC..Hα-helixtrans-61.5-28.4172.7-66.4170.424.300113.1E102 T104 K110E102-Q106 WeakPolarHBondContact O-CG 3.27Å; E102-Q106 PolarHBondContact O-N 3.07Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.25Å; E102-Q106 PolarHBondContact OE1-NE2 2.84Å; T104-Q106 PolarHBondContact O-N 3.25Å; Q106-K110 WeakPolarHBondContact O-CG 3.36Å; Q106-K110 PolarHBondContact O-N 3.13Å
107S92.9Very high92Very high30 Ų3053.1 Ų53.121%0.2126%0.256CS..Hα-helixtrans-78.4-34.8175.1-54.80000111.8K103 T104 R105 K110 L111K103-S107 PolarHBondContact O-N 3.44Å; K103-S107 PolarHBondContact O-OG 2.8Å; T104-S107 CarbonylContact O-C 3.44Å; T104-S107 WeakPolarHBondContact O-CA 3.43Å; T104-S107 VanDerWaalsContact O-CB 3.26Å; T104-S107 WeakPolarHBondContact O-CB 3.35Å; T104-S107 PolarHBondContact O-N 3.48Å; R105-S107 PolarHBondContact O-N 3.37Å; S107-K110 PolarHBondContact O-N 2.69Å; S107-L111 WeakPolarHBondContact O-CB 3.28Å; S107-L111 PolarHBondContact O-N 3.2Å
108L94.2Very high91.9Very high0 Ų054.2 Ų54.20%026%0.261CS..Hα-helixtrans-64.5-41170.2-64.2177.8000112L63 L66 F93 V96 F97 V100 T104 R105 L111 R112L63-L108 HydrophobicContact CD1-CD2 3.74Å; L63-L108 HydrophobicContact CD1-CG 4.48Å; L66-L108 HydrophobicContact CD1-CD2 3.42Å; L66-L108 VanDerWaalsContact CD1-CD2 3.42Å; F93-L108 HydrophobicContact CE1-CB 4.38Å; F93-L108 HydrophobicContact CE2-CB 4.32Å; F93-L108 HydrophobicContact CE2-CD2 4.45Å; F93-L108 HydrophobicContact CZ-CB 3.78Å; F93-L108 WeakPolarHBondContact CZ-O 3.25Å; V96-L108 HydrophobicContact CG1-CD1 4.22Å; V96-L108 HydrophobicContact CG1-CD2 4.26Å; F97-L108 HydrophobicContact CB-CD1 3.91Å; F97-L108 HydrophobicContact CD2-CD1 3.92Å; F97-L108 HydrophobicContact CG-CD1 4.37Å; V100-L108 HydrophobicContact CG2-CD1 3.82Å; T104-L108 WeakPolarHBondContact O-CG 3.33Å; T104-L108 PolarHBondContact O-N 3.38Å; R105-L108 WeakPolarHBondContact O-CB 3.47Å; R105-L108 PolarHBondContact O-N 2.81Å; R105-L108 VanDerWaalsContact O-N 3.1Å; L108-L111 WeakPolarHBondContact O-CB 3.25Å; L108-L111 PolarHBondContact O-N 3.22Å; L108-R112 WeakPolarHBondContact O-CB 3.39Å; L108-R112 PolarHBondContact O-N 3.4Å
109F94.7Very high91.9Very high58 Ų5851.2 Ų51.225%0.25425%0.245SC..Hα-helixtrans-58.4-50.3174.7-175.9-105.6000111.4R105 L111 R112 Q113 W138 P139R105-F109 PolarHBondContact O-N 2.87Å; F109-L111 VanDerWaalsContact C-N 3.32Å; F109-L111 PolarHBondContact O-N 2.79Å; F109-R112 PolarHBondContact O-N 3.34Å; F109-Q113 HydrophobicContact CE1-CG 4.13Å; F109-Q113 VanDerWaalsContact CE2-NE2 3.33Å; F109-Q113 HydrophobicContact CZ-CG 4.19Å; F109-Q113 VanDerWaalsContact CZ-NE2 3.25Å; F109-Q113 WeakPolarHBondContact O-CG 3.26Å; F109-Q113 PolarHBondContact O-N 3.5Å; F109-Q113 VanDerWaalsContact O-N 3.13Å; F109-W138 VanDerWaalsContact CA-CH2 3.44Å; F109-W138 HydrophobicContact CB-CE3 4.38Å; F109-W138 HydrophobicContact CB-CH2 3.84Å; F109-W138 HydrophobicContact CB-CZ3 3.65Å; F109-W138 HydrophobicContact CD2-CD2 4.09Å; F109-W138 AromaticContact CD2-CE2 3.9Å; F109-W138 HydrophobicContact CD2-CE3 4.03Å; F109-W138 AromaticContact CD2-CH2 3.78Å; F109-W138 HydrophobicContact CD2-CH2 3.78Å; F109-W138 AromaticContact CD2-CZ2 3.78Å; F109-W138 HydrophobicContact CD2-CZ2 3.78Å; F109-W138 AromaticContact CD2-CZ3 3.89Å; F109-W138 HydrophobicContact CD2-CZ3 3.89Å; F109-W138 HydrophobicContact CG-CH2 4.33Å; F109-W138 HydrophobicContact CG-CZ3 4.27Å; F109-P139 HydrophobicContact CD2-CG 4.45Å; F109-P139 HydrophobicContact CE2-CG 3.5Å; F109-P139 VanDerWaalsContact CE2-CG 3.5Å; F109-P139 HydrophobicContact CZ-CG 3.65Å
110K93.8Very high91.9Very high143 Ų14349.2 Ų49.262%0.62224%0.243SC*.Hα-helixtrans-57.2-44175.2-70.5169.4-175.61730111.9Q106 S107 Q113 T114Q106-K110 WeakPolarHBondContact O-CG 3.36Å; Q106-K110 PolarHBondContact O-N 3.13Å; S107-K110 PolarHBondContact O-N 2.69Å; K110-Q113 PolarHBondContact O-N 2.75Å; K110-T114 PolarHBondContact O-N 3.41Å
111L94.4Very high91.8Very high7 Ų749.1 Ų49.14%0.03724%0.243CC..Hα-helixtrans-58.9-50.5177.5-17857.8000111.9L66 Y67 D70 S107 L108 F109 Q113 T114 W115L66-L111 HydrophobicContact CB-CD2 3.87Å; Y67-L111 HydrophobicContact CD1-CD1 3.84Å; Y67-L111 HydrophobicContact CD1-CD2 3.92Å; Y67-L111 HydrophobicContact CD1-CG 4.43Å; Y67-L111 HydrophobicContact CE1-CB 4.33Å; Y67-L111 HydrophobicContact CE1-CD1 3.96Å; Y67-L111 HydrophobicContact CE1-CD2 4Å; Y67-L111 HydrophobicContact CE1-CG 4.33Å; D70-L111 HydrophobicContact CB-CD1 3.82Å; S107-L111 WeakPolarHBondContact O-CB 3.28Å; S107-L111 PolarHBondContact O-N 3.2Å; L108-L111 WeakPolarHBondContact O-CB 3.25Å; L108-L111 PolarHBondContact O-N 3.22Å; F109-L111 VanDerWaalsContact C-N 3.32Å; F109-L111 PolarHBondContact O-N 2.79Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 2.88Å; L111-T114 WeakPolarHBondContact O-CB 3.45Å; L111-T114 PolarHBondContact O-N 3.46Å; L111-T114 PolarHBondContact O-OG1 2.97Å; L111-W115 HydrophobicContact CD1-CZ2 4.3Å; L111-W115 HydrophobicContact CD2-CH2 4.41Å; L111-W115 HydrophobicContact CD2-CZ2 3.94Å; L111-W115 HydrophobicContact CG-CH2 4.5Å; L111-W115 HydrophobicContact CG-CZ2 3.84Å
112R94.5Very high91.6Very high0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-58.7-33.6178.5173.3-91.9175.9-121.30.7112.8F93 L108 F109 T114 W115 D128 W138 Q141F93-R112 HydrophobicContact CE2-CB 4.06Å; F93-R112 HydrophobicContact CZ-CB 3.81Å; L108-R112 WeakPolarHBondContact O-CB 3.39Å; L108-R112 PolarHBondContact O-N 3.4Å; F109-R112 PolarHBondContact O-N 3.34Å; R112-T114 VanDerWaalsContact C-N 3.27Å; R112-T114 PolarHBondContact O-N 3.08Å; R112-W115 PolarHBondContact O-N 3.45Å; R112-D128 IonicContact CZ-OD1 2.63Å; R112-D128 IonicContact CZ-OD2 3.19Å; R112-D128 IonicContact NE-OD1 2.62Å; R112-D128 PolarHBondContact NE-OD1 2.84Å; R112-D128 IonicContact NE-OD2 3.28Å; R112-D128 IonicContact NH2-OD1 2.65Å; R112-D128 PolarHBondContact NH2-OD1 3.07Å; R112-D128 IonicContact NH2-OD2 3.17Å; R112-D128 PolarHBondContact NH2-OD2 3.2Å; R112-W138 HydrophobicContact CB-CZ2 4.39Å; R112-W138 HydrophobicContact CG-CZ2 4.23Å; R112-Q141 VanDerWaalsContact CZ-OE1 3.23Å
113Q92.2Very high91.6Very high45 Ų4547.5 Ų47.521%0.2124%0.238CC..Hα-helixtrans-67.2-24.9173.8-62.8-53.6-27.800113.3F109 K110 L111 W115 L116F109-Q113 HydrophobicContact CE1-CG 4.13Å; F109-Q113 VanDerWaalsContact CE2-NE2 3.33Å; F109-Q113 HydrophobicContact CZ-CG 4.19Å; F109-Q113 VanDerWaalsContact CZ-NE2 3.25Å; F109-Q113 WeakPolarHBondContact O-CG 3.26Å; F109-Q113 PolarHBondContact O-N 3.5Å; F109-Q113 VanDerWaalsContact O-N 3.13Å; K110-Q113 PolarHBondContact O-N 2.75Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 2.88Å; Q113-W115 VanDerWaalsContact C-N 3.26Å; Q113-W115 PolarHBondContact O-N 2.88Å; Q113-L116 WeakPolarHBondContact O-CD1 3.37Å; Q113-L116 WeakPolarHBondContact O-CG 3.43Å
114T91.6Very high91.7Very high65 Ų6539.8 Ų39.840%0.39921%0.205SC..THydrogen-bonded Turntrans-77.2-9.6175.975.50000114.1K74 K110 L111 R112K74-T114 PolarHBondContact NZ-OG1 2.92Å; K110-T114 PolarHBondContact O-N 3.41Å; L111-T114 WeakPolarHBondContact O-CB 3.45Å; L111-T114 PolarHBondContact O-N 3.46Å; L111-T114 PolarHBondContact O-OG1 2.97Å; R112-T114 VanDerWaalsContact C-N 3.27Å; R112-T114 PolarHBondContact O-N 3.08Å
115W93.4Very high91.8Very high0 Ų042 Ų420%021%0.211CC..THydrogen-bonded Turntrans-90.5-2.2-176.9-67.3-10.4000114.6D70 L89 F93 L111 R112 Q113 D117 I118 F119 L124 I127D70-W115 VanDerWaalsContact OD1-CD1 3.29Å; D70-W115 PolarHBondContact OD1-NE1 3.08Å; L89-W115 HydrophobicContact CD1-CH2 3.77Å; L89-W115 HydrophobicContact CD1-CZ3 3.78Å; L89-W115 HydrophobicContact CD2-CE3 4.33Å; L89-W115 HydrophobicContact CD2-CZ3 4.2Å; L89-W115 HydrophobicContact CG-CZ3 4.17Å; F93-W115 AromaticContact CD2-CH2 3.7Å; F93-W115 HydrophobicContact CD2-CH2 3.7Å; F93-W115 AromaticContact CD2-CZ3 3.57Å; F93-W115 HydrophobicContact CD2-CZ3 3.57Å; F93-W115 HydrophobicContact CE2-CH2 4.04Å; F93-W115 AromaticContact CE2-CZ3 3.87Å; F93-W115 HydrophobicContact CE2-CZ3 3.87Å; L111-W115 HydrophobicContact CD1-CZ2 4.3Å; L111-W115 HydrophobicContact CD2-CH2 4.41Å; L111-W115 HydrophobicContact CD2-CZ2 3.94Å; L111-W115 HydrophobicContact CG-CH2 4.5Å; L111-W115 HydrophobicContact CG-CZ2 3.84Å; R112-W115 PolarHBondContact O-N 3.45Å; Q113-W115 VanDerWaalsContact C-N 3.26Å; Q113-W115 PolarHBondContact O-N 2.88Å; W115-D117 VanDerWaalsContact C-N 3.28Å; W115-D117 PolarHBondContact O-N 2.82Å; W115-I118 PolarHBondContact O-N 2.93Å; W115-F119 HydrophobicContact CB-CD2 4.08Å; W115-F119 HydrophobicContact CD2-CD2 4.28Å; W115-F119 HydrophobicContact CD2-CE2 4.25Å; W115-F119 HydrophobicContact CE3-CD2 4.35Å; W115-F119 HydrophobicContact CE3-CE2 4.44Å; W115-F119 HydrophobicContact CG-CD2 4.2Å; W115-F119 HydrophobicContact CG-CE2 4.39Å; W115-F119 PolarHBondContact O-N 2.8Å; W115-L124 HydrophobicContact CB-CD2 3.85Å; W115-L124 HydrophobicContact CE3-CD2 4.35Å; W115-I127 HydrophobicContact CE3-CD1 4.48Å; W115-I127 HydrophobicContact CZ3-CD1 4.29Å
116L90Very high91.7Very high8 Ų847.5 Ų47.54%0.04223%0.232CC..THydrogen-bonded Turntrans-46.7-50178.9-73.4169.3000112Q113 I118 L124 L146 A149 Q150 N153Q113-L116 WeakPolarHBondContact O-CD1 3.37Å; Q113-L116 WeakPolarHBondContact O-CG 3.43Å; L116-I118 VanDerWaalsContact C-N 3.25Å; L116-I118 PolarHBondContact O-N 3.03Å; L116-L124 HydrophobicContact CD2-CD1 4.22Å; L116-L146 HydrophobicContact CD2-CB 4.31Å; L116-L146 HydrophobicContact CD2-CD2 3.52Å; L116-A149 HydrophobicContact CD1-CB 3.95Å; L116-A149 HydrophobicContact CD2-CB 4.38Å; L116-Q150 HydrophobicContact CB-CG 4.11Å; L116-Q150 WeakPolarHBondContact O-CG 3.48Å; L116-Q150 PolarHBondContact O-NE2 3.2Å; L116-N153 WeakPolarHBondContact CD1-ND2 3.09Å
117D85.4Confident91.7Very high64 Ų6442.6 Ų42.634%0.34221%0.209SC..THydrogen-bonded Turntrans-86.94.6-174.5-48.3-33.2000113.3W115 K157W115-D117 VanDerWaalsContact C-N 3.28Å; W115-D117 PolarHBondContact O-N 2.82Å; D117-K157 VanDerWaalsContact CG-NZ 3.35Å; D117-K157 WeakPolarHBondContact OD2-CE 3.47Å; D117-K157 IonicContact OD2-NZ 2.92Å; D117-K157 PolarHBondContact OD2-NZ 3.17Å
118I90.2Very high91.9Very high22 Ų2241.2 Ų41.211%0.11320%0.199CC..THydrogen-bonded Turntrans-109.1-57.2-174.2-51-178000110V73 K74 K82 W115 L116V73-I118 HydrophobicContact CB-CG2 4.15Å; V73-I118 HydrophobicContact CG2-CD1 4.12Å; V73-I118 HydrophobicContact CG2-CG2 3.97Å; K74-I118 HydrophobicContact CD-CD1 4.23Å; K74-I118 HydrophobicContact CG-CD1 3.47Å; K74-I118 VanDerWaalsContact CG-CD1 3.47Å; K82-I118 WeakPolarHBondContact CE-O 3.25Å; K82-I118 PolarHBondContact NZ-O 3.21Å; W115-I118 PolarHBondContact O-N 2.93Å; L116-I118 VanDerWaalsContact C-N 3.25Å; L116-I118 PolarHBondContact O-N 3.03Å
119F91.7Very high91.9Very high4 Ų444 Ų442%0.01821%0.214CC..SBendtrans-105.4148-176.2-63.7-61.3000112V73 K82 A86 L89 W115 A121 L124V73-F119 HydrophobicContact CB-CZ 4.5Å; V73-F119 HydrophobicContact CG1-CZ 4.19Å; V73-F119 HydrophobicContact CG2-CE2 4.42Å; V73-F119 HydrophobicContact CG2-CZ 4.36Å; K82-F119 HydrophobicContact CG-CE1 4.21Å; A86-F119 HydrophobicContact CB-CD1 4.45Å; A86-F119 HydrophobicContact CB-CE1 4.11Å; L89-F119 HydrophobicContact CD1-CE2 4.33Å; L89-F119 HydrophobicContact CD2-CD1 4.36Å; L89-F119 HydrophobicContact CD2-CD2 3.53Å; L89-F119 HydrophobicContact CD2-CE1 4.26Å; L89-F119 HydrophobicContact CD2-CE2 3.42Å; L89-F119 VanDerWaalsContact CD2-CE2 3.42Å; L89-F119 HydrophobicContact CD2-CG 4.03Å; L89-F119 HydrophobicContact CD2-CZ 3.81Å; W115-F119 HydrophobicContact CB-CD2 4.08Å; W115-F119 HydrophobicContact CD2-CD2 4.28Å; W115-F119 HydrophobicContact CD2-CE2 4.25Å; W115-F119 HydrophobicContact CE3-CD2 4.35Å; W115-F119 HydrophobicContact CE3-CE2 4.44Å; W115-F119 HydrophobicContact CG-CD2 4.2Å; W115-F119 HydrophobicContact CG-CE2 4.39Å; W115-F119 PolarHBondContact O-N 2.8Å; F119-A121 PolarHBondContact O-N 3.42Å; F119-L124 HydrophobicContact CB-CD2 4.1Å; F119-L124 HydrophobicContact CB-CG 4.28Å
120P88.6Confident91.9Very high64 Ų6445.6 Ų45.642%0.41622%0.22SC..  trans-56.4139.9177.5-25.834.7000112.4S122 R123 L124P120-S122 PolarHBondContact O-N 2.96Å; P120-S122 VanDerWaalsContact O-N 3.07Å; P120-R123 WeakPolarHBondContact O-CA 3.42Å; P120-R123 WeakPolarHBondContact O-CB 3.43Å; P120-R123 PolarHBondContact O-N 3.33Å; P120-L124 PolarHBondContact O-N 3Å; P120-L124 VanDerWaalsContact O-N 3.16Å
121A88.5Confident92Very high8 Ų838.8 Ų38.87%0.06619%0.191CC..Hα-helixtrans-52.7-33.3179.300000113.4F119 R123 L124 Y125 P143 L146 R147F119-A121 PolarHBondContact O-N 3.42Å; A121-R123 PolarHBondContact O-N 3.49Å; A121-L124 PolarHBondContact O-N 3.37Å; A121-Y125 WeakPolarHBondContact O-CB 3.44Å; A121-Y125 PolarHBondContact O-N 2.99Å; A121-P143 HydrophobicContact CB-CB 4.34Å; A121-L146 HydrophobicContact CB-CB 3.71Å; A121-L146 HydrophobicContact CB-CD1 4.25Å; A121-L146 WeakPolarHBondContact O-CD1 3.48Å; A121-R147 HydrophobicContact CB-CG 4.05Å
122S88.2Confident91.9Very high72 Ų7241.4 Ų41.450%0.50320%0.203SC..Hα-helixtrans-67.9-27.7174.952.90000114.4P120 R126P120-S122 PolarHBondContact O-N 2.96Å; P120-S122 VanDerWaalsContact O-N 3.07Å; S122-R126 WeakPolarHBondContact O-CG 3.38Å; S122-R126 PolarHBondContact O-N 3.46Å
123R90.2Very high91.9Very high72 Ų7247.1 Ų47.127%0.27223%0.229SC..Hα-helixtrans-79-41.7172.9178.6175.6-86.3119.5-6.2110.7A86 I90 P120 A121 R126 I127A86-R123 PolarHBondContact O-NE 3.04Å; A86-R123 PolarHBondContact O-NH2 3.37Å; I90-R123 HydrophobicContact CD1-CG 4.38Å; I90-R123 HydrophobicContact CG1-CG 4.38Å; P120-R123 WeakPolarHBondContact O-CA 3.42Å; P120-R123 WeakPolarHBondContact O-CB 3.43Å; P120-R123 PolarHBondContact O-N 3.33Å; A121-R123 PolarHBondContact O-N 3.49Å; R123-R126 PolarHBondContact O-N 3.06Å; R123-I127 PolarHBondContact O-N 2.91Å
124L93.6Very high92Very high0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-63.1-44.1176.2-62.6176.9000111.8W115 L116 F119 P120 A121 R126 I127 D128 L146W115-L124 HydrophobicContact CB-CD2 3.85Å; W115-L124 HydrophobicContact CE3-CD2 4.35Å; L116-L124 HydrophobicContact CD2-CD1 4.22Å; F119-L124 HydrophobicContact CB-CD2 4.1Å; F119-L124 HydrophobicContact CB-CG 4.28Å; P120-L124 PolarHBondContact O-N 3Å; P120-L124 VanDerWaalsContact O-N 3.16Å; A121-L124 PolarHBondContact O-N 3.37Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.01Å; L124-I127 HydrophobicContact CD2-CD1 4.4Å; L124-I127 WeakPolarHBondContact O-CA 3.42Å; L124-I127 VanDerWaalsContact O-CB 3.31Å; L124-I127 WeakPolarHBondContact O-CB 3.31Å; L124-I127 PolarHBondContact O-N 3.47Å; L124-D128 PolarHBondContact O-N 3.06Å; L124-L146 HydrophobicContact CB-CD1 4.18Å
125Y92.5Very high92Very high65 Ų6546.6 Ų46.626%0.25523%0.225SC..Hα-helixtrans-60.9-33.1174.9-177.5-127.3000113.4A121 I127 D128 I129 Q141 P143A121-Y125 WeakPolarHBondContact O-CB 3.44Å; A121-Y125 PolarHBondContact O-N 2.99Å; Y125-I127 VanDerWaalsContact C-N 3.32Å; Y125-D128 WeakPolarHBondContact CA-OD2 3.41Å; Y125-D128 PolarHBondContact O-N 2.75Å; Y125-I129 HydrophobicContact CD1-CD1 3.92Å; Y125-I129 HydrophobicContact CD2-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.63Å; Y125-I129 HydrophobicContact CE1-CG1 4.4Å; Y125-I129 HydrophobicContact CE2-CD1 4.28Å; Y125-I129 HydrophobicContact CE2-CG1 4.18Å; Y125-I129 HydrophobicContact CG-CD1 4.38Å; Y125-I129 WeakPolarHBondContact O-CG1 3.02Å; Y125-I129 PolarHBondContact O-N 2.9Å; Y125-Q141 WeakPolarHBondContact CD2-O 3.4Å; Y125-P143 HydrophobicContact CD1-CG 3.59Å; Y125-P143 HydrophobicContact CE1-CG 4.29Å; Y125-P143 HydrophobicContact CG-CG 3.84Å
126R91.9Very high92Very high168 Ų16851.4 Ų51.463%0.63426%0.256SS*.Hα-helixtrans-69.2-27.8172.6-77.1177.3175.1-172.1-1113.3I90 S122 R123 L124 K130I90-R126 HydrophobicContact CD1-CB 3.89Å; S122-R126 WeakPolarHBondContact O-CG 3.38Å; S122-R126 PolarHBondContact O-N 3.46Å; R123-R126 PolarHBondContact O-N 3.06Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.01Å; R126-K130 PolarHBondContact O-N 3.26Å
127I94.3Very high92.1Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-67.2-49168.3-59.5175.4000108.6L89 I90 F93 W115 R123 L124 Y125 I129 K130 V131L89-I127 HydrophobicContact CD2-CD1 4.11Å; L89-I127 HydrophobicContact CG-CD1 4.25Å; I90-I127 HydrophobicContact CB-CG1 4.39Å; I90-I127 HydrophobicContact CG1-CG1 3.94Å; I90-I127 HydrophobicContact CG2-CG1 4.42Å; F93-I127 HydrophobicContact CB-CG2 4.31Å; F93-I127 HydrophobicContact CD1-CG2 3.33Å; F93-I127 HydrophobicContact CE1-CG2 3.7Å; F93-I127 HydrophobicContact CG-CG2 3.86Å; F93-I127 HydrophobicContact CZ-CG2 4.47Å; W115-I127 HydrophobicContact CE3-CD1 4.48Å; W115-I127 HydrophobicContact CZ3-CD1 4.29Å; R123-I127 PolarHBondContact O-N 2.91Å; L124-I127 HydrophobicContact CD2-CD1 4.4Å; L124-I127 WeakPolarHBondContact O-CA 3.42Å; L124-I127 VanDerWaalsContact O-CB 3.31Å; L124-I127 WeakPolarHBondContact O-CB 3.31Å; L124-I127 PolarHBondContact O-N 3.47Å; Y125-I127 VanDerWaalsContact C-N 3.32Å; I127-I129 PolarHBondContact O-N 3.42Å; I127-K130 PolarHBondContact O-N 2.87Å; I127-K130 VanDerWaalsContact O-N 3.13Å; I127-V131 HydrophobicContact CG2-CG2 3.98Å; I127-V131 VanDerWaalsContact O-CG2 3.31Å; I127-V131 WeakPolarHBondContact O-CG2 3.31Å; I127-V131 PolarHBondContact O-N 3.42Å
128D95.6Very high92.5Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-58.8-44.6-177.7-54.4-40.9000112.7R112 L124 Y125 K130 V131 H132 W138 L140R112-D128 IonicContact CZ-OD1 2.63Å; R112-D128 IonicContact CZ-OD2 3.19Å; R112-D128 IonicContact NE-OD1 2.62Å; R112-D128 PolarHBondContact NE-OD1 2.84Å; R112-D128 IonicContact NE-OD2 3.28Å; R112-D128 IonicContact NH2-OD1 2.65Å; R112-D128 PolarHBondContact NH2-OD1 3.07Å; R112-D128 IonicContact NH2-OD2 3.17Å; R112-D128 PolarHBondContact NH2-OD2 3.2Å; L124-D128 PolarHBondContact O-N 3.06Å; Y125-D128 WeakPolarHBondContact CA-OD2 3.41Å; Y125-D128 PolarHBondContact O-N 2.75Å; D128-K130 PolarHBondContact O-N 3.13Å; D128-V131 PolarHBondContact O-N 3.17Å; D128-H132 WeakPolarHBondContact O-CB 3.37Å; D128-H132 PolarHBondContact O-N 3.27Å; D128-W138 PolarHBondContact OD1-NE1 3.23Å; D128-L140 HydrophobicContact CB-CD2 3.87Å; D128-L140 WeakPolarHBondContact O-CD2 3.39Å
129I94.2Very high92.6Very high59 Ų5954.4 Ų54.430%0.30329%0.286SS..Hα-helixtrans-56.8-50.8175.1-68.1164.9000110.6Y125 I127 V131 H132 E133 L140Y125-I129 HydrophobicContact CD1-CD1 3.92Å; Y125-I129 HydrophobicContact CD2-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.63Å; Y125-I129 HydrophobicContact CE1-CG1 4.4Å; Y125-I129 HydrophobicContact CE2-CD1 4.28Å; Y125-I129 HydrophobicContact CE2-CG1 4.18Å; Y125-I129 HydrophobicContact CG-CD1 4.38Å; Y125-I129 WeakPolarHBondContact O-CG1 3.02Å; Y125-I129 PolarHBondContact O-N 2.9Å; I127-I129 PolarHBondContact O-N 3.42Å; I129-V131 VanDerWaalsContact C-N 3.28Å; I129-V131 PolarHBondContact O-N 2.89Å; I129-H132 PolarHBondContact O-N 2.75Å; I129-E133 WeakPolarHBondContact CG2-OE1 3.3Å; I129-E133 WeakPolarHBondContact O-CG 3.48Å; I129-E133 PolarHBondContact O-N 3.17Å; I129-L140 HydrophobicContact CG1-CD2 4.25Å
130K94.4Very high92.5Very high91 Ų9157.6 Ų57.640%0.39630%0.303SS..Hα-helixtrans-71.3-20-176.7-80.1-82.1170.5-106.40114.1I90 V94 R126 I127 D128 E133I90-K130 HydrophobicContact CG2-CG 4.5Å; V94-K130 HydrophobicContact CG2-CB 3.62Å; R126-K130 PolarHBondContact O-N 3.26Å; I127-K130 PolarHBondContact O-N 2.87Å; I127-K130 VanDerWaalsContact O-N 3.13Å; D128-K130 PolarHBondContact O-N 3.13Å; K130-E133 IonicContact NZ-OE1 3.68Å; K130-E133 PolarHBondContact NZ-OE1 2.92Å; K130-E133 IonicContact NZ-OE2 3.92Å; K130-E133 PolarHBondContact NZ-OE2 2.92Å
131V95.8Very high92.4Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-85.2-39.3171.6177.20000110.8F93 V94 F97 I127 D128 I129 E133 I134 D135 W138F93-V131 HydrophobicContact CD1-CG2 3.93Å; F93-V131 HydrophobicContact CE1-CG2 3.95Å; V94-V131 HydrophobicContact CG2-CG2 4.12Å; F97-V131 HydrophobicContact CD1-CG1 3.8Å; F97-V131 HydrophobicContact CD2-CG1 3.65Å; F97-V131 HydrophobicContact CE1-CG1 3.63Å; F97-V131 HydrophobicContact CE2-CG1 3.48Å; F97-V131 VanDerWaalsContact CE2-CG1 3.48Å; F97-V131 HydrophobicContact CG-CG1 3.81Å; F97-V131 HydrophobicContact CG-CG2 4.41Å; F97-V131 HydrophobicContact CZ-CG1 3.47Å; F97-V131 VanDerWaalsContact CZ-CG1 3.47Å; I127-V131 HydrophobicContact CG2-CG2 3.98Å; I127-V131 VanDerWaalsContact O-CG2 3.31Å; I127-V131 WeakPolarHBondContact O-CG2 3.31Å; I127-V131 PolarHBondContact O-N 3.42Å; D128-V131 PolarHBondContact O-N 3.17Å; I129-V131 VanDerWaalsContact C-N 3.28Å; I129-V131 PolarHBondContact O-N 2.89Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.37Å; V131-I134 WeakPolarHBondContact O-CA 3.13Å; V131-I134 WeakPolarHBondContact O-CB 3.28Å; V131-I134 PolarHBondContact O-N 3.22Å; V131-D135 PolarHBondContact O-N 2.99Å; V131-W138 HydrophobicContact CB-CD2 4.07Å; V131-W138 HydrophobicContact CB-CG 4.12Å; V131-W138 HydrophobicContact CG1-CB 3.97Å; V131-W138 HydrophobicContact CG1-CD2 3.35Å; V131-W138 HydrophobicContact CG1-CE3 3.46Å; V131-W138 VanDerWaalsContact CG1-CE3 3.46Å; V131-W138 HydrophobicContact CG1-CG 3.61Å; V131-W138 HydrophobicContact CG1-CH2 4.37Å; V131-W138 HydrophobicContact CG1-CZ2 4.33Å; V131-W138 HydrophobicContact CG1-CZ3 3.99Å
132H94.1Very high92.2Very high63 Ų6361.2 Ų61.229%0.29231%0.313SS..Hα-helixtrans-65.1-28.9175-171.488.5000113.1D128 I129 I134 D135 P136 W138 L140D128-H132 WeakPolarHBondContact O-CB 3.37Å; D128-H132 PolarHBondContact O-N 3.27Å; I129-H132 PolarHBondContact O-N 2.75Å; H132-I134 PolarHBondContact O-N 3.14Å; H132-D135 WeakPolarHBondContact CA-O 3.23Å; H132-D135 CarbonylContact O-C 3.59Å; H132-P136 PolarHBondContact CE1-O 2.72Å; H132-P136 PolarHBondContact ND1-O 2.71Å; H132-W138 HydrophobicContact CB-CB 4.49Å; H132-W138 PolarHBondContact ND1-O 3.29Å; H132-L140 HydrophobicContact CB-CD2 3.61Å; H132-L140 HydrophobicContact CB-CG 4.15Å
133E94.1Very high91.9Very high119 Ų11959.2 Ų59.256%0.55630%0.299SS*.THydrogen-bonded Turntrans-61.3-22.9167.8-78.3172.4-144.200113.7I129 K130 V131I129-E133 WeakPolarHBondContact CG2-OE1 3.3Å; I129-E133 WeakPolarHBondContact O-CG 3.48Å; I129-E133 PolarHBondContact O-N 3.17Å; K130-E133 IonicContact NZ-OE1 3.68Å; K130-E133 PolarHBondContact NZ-OE1 2.92Å; K130-E133 IonicContact NZ-OE2 3.92Å; K130-E133 PolarHBondContact NZ-OE2 2.92Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.37Å
134I93.2Very high91.4Very high67 Ų6758.3 Ų58.334%0.34430%0.304SS..THydrogen-bonded Turntrans-100.5-37.9178.7-60.1176.1000110.9V94 F97 D98 V131 H132V94-I134 HydrophobicContact CG1-CD1 3.67Å; F97-I134 HydrophobicContact CD1-CB 4.42Å; F97-I134 HydrophobicContact CD1-CG2 4.15Å; F97-I134 HydrophobicContact CE1-CB 4.3Å; F97-I134 HydrophobicContact CE1-CG2 4.03Å; D98-I134 HydrophobicContact CB-CD1 4.2Å; V131-I134 WeakPolarHBondContact O-CA 3.13Å; V131-I134 WeakPolarHBondContact O-CB 3.28Å; V131-I134 PolarHBondContact O-N 3.22Å; H132-I134 PolarHBondContact O-N 3.14Å
135D93.1Very high91Very high33 Ų3363.3 Ų63.318%0.17633%0.327CS..  trans-138.499.7-178.3178.97.7000110.8F97 V131 H132 A137 W138F97-D135 HydrophobicContact CE1-CB 3.73Å; F97-D135 HydrophobicContact CZ-CB 3.7Å; V131-D135 PolarHBondContact O-N 2.99Å; H132-D135 WeakPolarHBondContact CA-O 3.23Å; H132-D135 CarbonylContact O-C 3.59Å; D135-A137 PolarHBondContact O-N 2.85Å; D135-A137 VanDerWaalsContact OD1-CB 3.26Å; D135-A137 WeakPolarHBondContact OD1-CB 3.4Å; D135-A137 PolarHBondContact OD1-N 3.12Å; D135-W138 WeakPolarHBondContact O-CB 3.23Å; D135-W138 PolarHBondContact O-N 2.94Å
136P93.4Very high90.6Very high100 Ų10060.2 Ų60.265%0.64932%0.315SS*.THydrogen-bonded Turntrans-60-11.4177.7-26.736.4000115.3H132 W138H132-P136 PolarHBondContact CE1-O 2.72Å; H132-P136 PolarHBondContact ND1-O 2.71Å; P136-W138 VanDerWaalsContact C-N 3.29Å
137A92Very high90.1Very high82 Ų8258.9 Ų58.968%0.67831%0.31SS*.THydrogen-bonded Turntrans-76-14.3171.800000113.2D135 P139D135-A137 PolarHBondContact O-N 2.85Å; D135-A137 VanDerWaalsContact OD1-CB 3.26Å; D135-A137 WeakPolarHBondContact OD1-CB 3.4Å; D135-A137 PolarHBondContact OD1-N 3.12Å; A137-P139 WeakPolarHBondContact O-CD 2.95Å
138W92.9Very high89.4Confident10 Ų1061.6 Ų61.64%0.03833%0.332CS..SBendtrans-68120.9175.6-171.9-86.6000110.9F93 F97 F109 R112 D128 V131 H132 D135 P136 L140F93-W138 AromaticContact CE1-CH2 3.79Å; F93-W138 HydrophobicContact CE1-CH2 3.79Å; F93-W138 HydrophobicContact CE1-CZ2 4.14Å; F93-W138 AromaticContact CZ-CH2 3.84Å; F93-W138 HydrophobicContact CZ-CH2 3.84Å; F93-W138 HydrophobicContact CZ-CZ2 4.34Å; F97-W138 HydrophobicContact CD2-CE3 4.37Å; F97-W138 AromaticContact CD2-CZ3 4Å; F97-W138 HydrophobicContact CD2-CZ3 4Å; F97-W138 AromaticContact CE2-CE3 3.63Å; F97-W138 HydrophobicContact CE2-CE3 3.63Å; F97-W138 AromaticContact CE2-CZ3 3.6Å; F97-W138 HydrophobicContact CE2-CZ3 3.6Å; F97-W138 HydrophobicContact CZ-CE3 4.23Å; F109-W138 VanDerWaalsContact CA-CH2 3.44Å; F109-W138 HydrophobicContact CB-CE3 4.38Å; F109-W138 HydrophobicContact CB-CH2 3.84Å; F109-W138 HydrophobicContact CB-CZ3 3.65Å; F109-W138 HydrophobicContact CD2-CD2 4.09Å; F109-W138 AromaticContact CD2-CE2 3.9Å; F109-W138 HydrophobicContact CD2-CE3 4.03Å; F109-W138 AromaticContact CD2-CH2 3.78Å; F109-W138 HydrophobicContact CD2-CH2 3.78Å; F109-W138 AromaticContact CD2-CZ2 3.78Å; F109-W138 HydrophobicContact CD2-CZ2 3.78Å; F109-W138 AromaticContact CD2-CZ3 3.89Å; F109-W138 HydrophobicContact CD2-CZ3 3.89Å; F109-W138 HydrophobicContact CG-CH2 4.33Å; F109-W138 HydrophobicContact CG-CZ3 4.27Å; R112-W138 HydrophobicContact CB-CZ2 4.39Å; R112-W138 HydrophobicContact CG-CZ2 4.23Å; D128-W138 PolarHBondContact OD1-NE1 3.23Å; V131-W138 HydrophobicContact CB-CD2 4.07Å; V131-W138 HydrophobicContact CB-CG 4.12Å; V131-W138 HydrophobicContact CG1-CB 3.97Å; V131-W138 HydrophobicContact CG1-CD2 3.35Å; V131-W138 HydrophobicContact CG1-CE3 3.46Å; V131-W138 VanDerWaalsContact CG1-CE3 3.46Å; V131-W138 HydrophobicContact CG1-CG 3.61Å; V131-W138 HydrophobicContact CG1-CH2 4.37Å; V131-W138 HydrophobicContact CG1-CZ2 4.33Å; V131-W138 HydrophobicContact CG1-CZ3 3.99Å; H132-W138 HydrophobicContact CB-CB 4.49Å; H132-W138 PolarHBondContact ND1-O 3.29Å; D135-W138 WeakPolarHBondContact O-CB 3.23Å; D135-W138 PolarHBondContact O-N 2.94Å; P136-W138 VanDerWaalsContact C-N 3.29Å; W138-L140 PolarHBondContact O-N 2.8Å
139P91.6Very high88.6Confident65 Ų6563 Ų6342%0.42234%0.344SS..PPolyproline II helixtrans-76.2118-175.229.8-33.5000111.1F109 A137 Q141F109-P139 HydrophobicContact CD2-CG 4.45Å; F109-P139 HydrophobicContact CE2-CG 3.5Å; F109-P139 VanDerWaalsContact CE2-CG 3.5Å; F109-P139 HydrophobicContact CZ-CG 3.65Å; A137-P139 WeakPolarHBondContact O-CD 2.95Å; P139-Q141 PolarHBondContact O-N 3.26Å
140L90.8Very high87.5Confident71 Ų7162.2 Ų62.237%0.37234%0.339SS..PPolyproline II helixtrans-67122.6171.7-65.4179.2000110.3D128 I129 H132 W138D128-L140 HydrophobicContact CB-CD2 3.87Å; D128-L140 WeakPolarHBondContact O-CD2 3.39Å; I129-L140 HydrophobicContact CG1-CD2 4.25Å; H132-L140 HydrophobicContact CB-CD2 3.61Å; H132-L140 HydrophobicContact CB-CG 4.15Å; W138-L140 PolarHBondContact O-N 2.8Å
141Q86.8Confident86Confident49 Ų4963.1 Ų63.123%0.22935%0.348CS..  trans-112.7110176.8-67.5-178-41.200109.7R112 Y125 P139 L146R112-Q141 VanDerWaalsContact CZ-OE1 3.23Å; Y125-Q141 WeakPolarHBondContact CD2-O 3.4Å; P139-Q141 PolarHBondContact O-N 3.26Å; Q141-L146 HydrophobicContact CB-CD1 4.43Å; Q141-L146 HydrophobicContact CB-CD2 3.68Å; Q141-L146 HydrophobicContact CB-CG 3.97Å; Q141-L146 VanDerWaalsContact O-CD1 3.24Å; Q141-L146 WeakPolarHBondContact O-CD1 3.47Å
142E84.1Confident84.4Confident99 Ų9966.7 Ų66.746%0.46337%0.37SS..  trans-61.5153.5-176.1-77.2-165170.500112.8S144 Q145 L146E142-S144 WeakPolarHBondContact CB-OG 3.12Å; E142-S144 PolarHBondContact O-N 3.02Å; E142-S144 PolarHBondContact OE2-OG 3.05Å; E142-Q145 HydrophobicContact CB-CG 4.26Å; E142-Q145 VanDerWaalsContact N-OE1 3.11Å; E142-Q145 PolarHBondContact O-N 2.81Å; E142-L146 WeakPolarHBondContact O-CG 3.38Å; E142-L146 PolarHBondContact O-N 3.13Å
143P81.8Confident82.5Confident30 Ų3066.3 Ų66.320%0.19537%0.37CS..Hα-helixtrans-57.9-23.6173.8-24.335000113.8A121 Y125 R147A121-P143 HydrophobicContact CB-CB 4.34Å; Y125-P143 HydrophobicContact CD1-CG 3.59Å; Y125-P143 HydrophobicContact CE1-CG 4.29Å; Y125-P143 HydrophobicContact CG-CG 3.84Å; P143-R147 WeakPolarHBondContact O-CG 3.24Å; P143-R147 PolarHBondContact O-N 2.81Å; P143-R147 PolarHBondContact O-NE 3.28Å; P143-R147 PolarHBondContact O-NH2 3.18Å
144S80.2Confident80.5Confident54 Ų5463.6 Ų63.638%0.37837%0.368SS..Hα-helixtrans-60.2-60.1169.1530000111E142 L146 R147 A148E142-S144 WeakPolarHBondContact CB-OG 3.12Å; E142-S144 PolarHBondContact O-N 3.02Å; E142-S144 PolarHBondContact OE2-OG 3.05Å; S144-L146 PolarHBondContact O-N 2.94Å; S144-R147 PolarHBondContact O-N 3.13Å; S144-A148 PolarHBondContact O-N 3.15Å
145Q85Confident78.2Confident104 Ų10466.5 Ų66.549%0.48638%0.383SS..Hα-helixtrans-60.1-42.7179.3-59.9166.9-2.600112E142 R147 A148 A149E142-Q145 HydrophobicContact CB-CG 4.26Å; E142-Q145 VanDerWaalsContact N-OE1 3.11Å; E142-Q145 PolarHBondContact O-N 2.81Å; Q145-R147 VanDerWaalsContact C-N 3.35Å; Q145-R147 PolarHBondContact O-N 3.19Å; Q145-A148 WeakPolarHBondContact O-CB 3.17Å; Q145-A148 PolarHBondContact O-N 3.47Å; Q145-A149 PolarHBondContact O-N 2.73Å
146L83.2Confident76.1Confident1 Ų168.3 Ų68.31%0.00540%0.395CS..Hα-helixtrans-64-36.9179.2-66.4173.8000112.9L116 A121 L124 Q141 E142 S144 A149 Q150L116-L146 HydrophobicContact CD2-CB 4.31Å; L116-L146 HydrophobicContact CD2-CD2 3.52Å; A121-L146 HydrophobicContact CB-CB 3.71Å; A121-L146 HydrophobicContact CB-CD1 4.25Å; A121-L146 WeakPolarHBondContact O-CD1 3.48Å; L124-L146 HydrophobicContact CB-CD1 4.18Å; Q141-L146 HydrophobicContact CB-CD1 4.43Å; Q141-L146 HydrophobicContact CB-CD2 3.68Å; Q141-L146 HydrophobicContact CB-CG 3.97Å; Q141-L146 VanDerWaalsContact O-CD1 3.24Å; Q141-L146 WeakPolarHBondContact O-CD1 3.47Å; E142-L146 WeakPolarHBondContact O-CG 3.38Å; E142-L146 PolarHBondContact O-N 3.13Å; S144-L146 PolarHBondContact O-N 2.94Å; L146-A149 PolarHBondContact O-N 2.91Å; L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.2Å
147R81Confident74Confident140 Ų14069.9 Ų69.953%0.52839%0.392SS..Hα-helixtrans-70.8-32.5174.3-78.5173.5-68.4-170.11.1112.6A121 P143 S144 Q145 N151A121-R147 HydrophobicContact CB-CG 4.05Å; P143-R147 WeakPolarHBondContact O-CG 3.24Å; P143-R147 PolarHBondContact O-N 2.81Å; P143-R147 PolarHBondContact O-NE 3.28Å; P143-R147 PolarHBondContact O-NH2 3.18Å; S144-R147 PolarHBondContact O-N 3.13Å; Q145-R147 VanDerWaalsContact C-N 3.35Å; Q145-R147 PolarHBondContact O-N 3.19Å; R147-N151 PolarHBondContact O-N 3.22Å; R147-N151 PolarHBondContact O-ND2 2.85Å
148A80.7Confident71.5Confident57 Ų5773 Ų7347%0.47140%0.397SS..Hα-helixtrans-63.4-45169.700000111.1S144 Q145 N151 T152S144-A148 PolarHBondContact O-N 3.15Å; Q145-A148 WeakPolarHBondContact O-CB 3.17Å; Q145-A148 PolarHBondContact O-N 3.47Å; A148-N151 PolarHBondContact O-N 2.79Å; A148-T152 PolarHBondContact O-N 2.94Å; A148-T152 PolarHBondContact O-OG1 2.95Å
149A77.8Confident69Low30 Ų3076.9 Ų76.925%0.24842%0.421CS..Hα-helixtrans-63.9-39.5178.100000113.5L116 Q145 L146 N151 T152 N153L116-A149 HydrophobicContact CD1-CB 3.95Å; L116-A149 HydrophobicContact CD2-CB 4.38Å; Q145-A149 PolarHBondContact O-N 2.73Å; L146-A149 PolarHBondContact O-N 2.91Å; A149-N151 VanDerWaalsContact C-N 3.35Å; A149-N151 PolarHBondContact O-N 3.04Å; A149-T152 WeakPolarHBondContact CA-OG1 3.42Å; A149-T152 PolarHBondContact O-N 2.9Å; A149-T152 PolarHBondContact O-OG1 3.45Å; A149-N153 WeakPolarHBondContact O-CB 3.23Å; A149-N153 PolarHBondContact O-N 3.06Å; A149-N153 PolarHBondContact O-ND2 3.1Å
150Q72.2Confident66.6Low41 Ų4181.4 Ų81.419%0.19244%0.437CS..Hα-helixtrans-56.6-47.3171.1-75.3167.9-22.700111.4L116 L146 N153 A154L116-Q150 HydrophobicContact CB-CG 4.11Å; L116-Q150 WeakPolarHBondContact O-CG 3.48Å; L116-Q150 PolarHBondContact O-NE2 3.2Å; L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.2Å; Q150-N153 PolarHBondContact O-N 3.27Å; Q150-A154 PolarHBondContact O-N 3.5Å
151N62.6Low63.9Low110 Ų11086 Ų8659%0.58845%0.454SS*.Hα-helixtrans-66.5-38.8179.6-70.4-16.2000112.5R147 A148 A149 A154 I155R147-N151 PolarHBondContact O-N 3.22Å; R147-N151 PolarHBondContact O-ND2 2.85Å; A148-N151 PolarHBondContact O-N 2.79Å; A149-N151 VanDerWaalsContact C-N 3.35Å; A149-N151 PolarHBondContact O-N 3.04Å; N151-A154 PolarHBondContact O-N 3.05Å; N151-I155 WeakPolarHBondContact O-CG1 3.48Å; N151-I155 PolarHBondContact O-N 2.72Å
152T61.8Low61.5Low76 Ų7687.2 Ų87.247%0.46646%0.462SS..Hα-helixtrans-67.6-39.3174.451.20000112.2A148 A149 A154 I155 V156A148-T152 PolarHBondContact O-N 2.94Å; A148-T152 PolarHBondContact O-OG1 2.95Å; A149-T152 WeakPolarHBondContact CA-OG1 3.42Å; A149-T152 PolarHBondContact O-N 2.9Å; A149-T152 PolarHBondContact O-OG1 3.45Å; T152-A154 VanDerWaalsContact C-N 3.33Å; T152-A154 PolarHBondContact O-N 3.16Å; T152-I155 PolarHBondContact O-N 3.11Å; T152-I155 VanDerWaalsContact O-N 3.12Å; T152-V156 WeakPolarHBondContact O-CG2 3.37Å; T152-V156 PolarHBondContact O-N 3.25Å
153N55.3Low59.4Low54 Ų5486.3 Ų86.329%0.28947%0.465SS..Hα-helixtrans-63.1-39.3176.5-72.6-12.8000111.9L116 A149 Q150 I155 V156 K157L116-N153 WeakPolarHBondContact CD1-ND2 3.09Å; A149-N153 WeakPolarHBondContact O-CB 3.23Å; A149-N153 PolarHBondContact O-N 3.06Å; A149-N153 PolarHBondContact O-ND2 3.1Å; Q150-N153 PolarHBondContact O-N 3.27Å; N153-I155 PolarHBondContact O-N 2.98Å; N153-V156 PolarHBondContact O-N 3.04Å; N153-K157 WeakPolarHBondContact O-CB 3.45Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.5Å; N153-K157 PolarHBondContact O-N 3.02Å
154A51.1Low57.2Low62 Ų6293.3 Ų93.351%0.51249%0.487SS..Hα-helixtrans-59.9-32.1174.400000113.1Q150 N151 T152Q150-A154 PolarHBondContact O-N 3.5Å; N151-A154 PolarHBondContact O-N 3.05Å; T152-A154 VanDerWaalsContact C-N 3.33Å; T152-A154 PolarHBondContact O-N 3.16Å
155I45.7Very low55.2Low128 Ų12894.9 Ų94.966%0.65649%0.488SS*.Hα-helixtrans-80.6-44.9177.1-64.2165.5000111.2N151 T152 N153 K157N151-I155 WeakPolarHBondContact O-CG1 3.48Å; N151-I155 PolarHBondContact O-N 2.72Å; T152-I155 PolarHBondContact O-N 3.11Å; T152-I155 VanDerWaalsContact O-N 3.12Å; N153-I155 PolarHBondContact O-N 2.98Å; I155-K157 PolarHBondContact O-N 2.92Å
156V49.2Very low53Low71 Ų7194.7 Ų94.743%0.4349%0.489SS..Hα-helixtrans-74.7-20.5-174.5175.30000113.2T152 N153 N158 V159T152-V156 WeakPolarHBondContact O-CG2 3.37Å; T152-V156 PolarHBondContact O-N 3.25Å; N153-V156 PolarHBondContact O-N 3.04Å; V156-N158 PolarHBondContact O-N 2.89Å; V156-V159 CarbonylContact O-C 3.53Å; V156-V159 VanDerWaalsContact O-C 3.28Å; V156-V159 PolarHBondContact O-N 3.5Å
157K48.2Very low50.9Low134 Ų134100 Ų10058%0.58351%0.514SS*.THydrogen-bonded Turntrans-53.3-19.6176.6-89.6169.3-172.6175.20115.7D117 N153 I155D117-K157 VanDerWaalsContact CG-NZ 3.35Å; D117-K157 WeakPolarHBondContact OD2-CE 3.47Å; D117-K157 IonicContact OD2-NZ 2.92Å; D117-K157 PolarHBondContact OD2-NZ 3.17Å; N153-K157 WeakPolarHBondContact O-CB 3.45Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.5Å; N153-K157 PolarHBondContact O-N 3.02Å; I155-K157 PolarHBondContact O-N 2.92Å
158N40Very low48.9Very low146 Ų14699.8 Ų99.878%0.78152%0.519SS*.THydrogen-bonded Turntrans-86.6-19.9177.2-69.9-27.1000114.1V156V156-N158 PolarHBondContact O-N 2.89Å
159V40.3Very low46.8Very low92 Ų92104.3 Ų104.356%0.55853%0.528SS*.  trans-151.6104.8174.9-167.50000110.5V156 F161V156-V159 CarbonylContact O-C 3.53Å; V156-V159 VanDerWaalsContact O-C 3.28Å; V156-V159 PolarHBondContact O-N 3.5Å; V159-F161 HydrophobicContact CG1-CD2 3.52Å; V159-F161 HydrophobicContact CG1-CE2 3.57Å
160H40.1Very low44.9Very low161 Ų161109.5 Ų109.575%0.74555%0.547SS*.  trans-9693.9174.3-17164.4000111.5
161F34.6Very low43.4Very low168 Ų168116.2 Ų116.274%0.73758%0.576SS**  trans-90.6140.6160.4-82.3-81.1000109.8V159 P163V159-F161 HydrophobicContact CG1-CD2 3.52Å; V159-F161 HydrophobicContact CG1-CE2 3.57Å; F161-P163 WeakPolarHBondContact O-CD 3.44Å
162N37.6Very low42.2Very low73 Ų73117 Ų11739%0.3958%0.584SS.*  trans-74.9117.6176.4172.16.8000110.2R164 F165N162-R164 PolarHBondContact O-N 2.81Å; N162-R164 VanDerWaalsContact O-N 3.11Å; N162-R164 PolarHBondContact OD1-N 3.07Å; N162-R164 VanDerWaalsContact OD1-N 3.16Å; N162-F165 HydrophobicContact CB-CD2 3.87Å; N162-F165 HydrophobicContact CB-CE2 4.22Å; N162-F165 PolarHBondContact O-N 3.35Å
163P38.4Very low40.7Very low81 Ų81115.9 Ų115.953%0.52658%0.58SS.*Hα-helixtrans-58.2-27.3-175.9-26.936.1000115F161 F165 I166 E167F161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-F165 PolarHBondContact O-N 3.25Å; P163-I166 WeakPolarHBondContact O-CB 3.47Å; P163-I166 PolarHBondContact O-N 3Å; P163-E167 PolarHBondContact O-N 2.8Å
164R37.2Very low39.9Very low176 Ų176118.1 Ų118.166%0.66460%0.599SS**Hα-helixtrans-62-27-179.7-77.2-172.6167-168.7-4.8114N162 I166 Q168N162-R164 PolarHBondContact O-N 2.81Å; N162-R164 VanDerWaalsContact O-N 3.11Å; N162-R164 PolarHBondContact OD1-N 3.07Å; N162-R164 VanDerWaalsContact OD1-N 3.16Å; R164-I166 VanDerWaalsContact C-N 3.3Å; R164-I166 PolarHBondContact O-N 2.91Å; R164-Q168 WeakPolarHBondContact O-CG 3.45Å; R164-Q168 PolarHBondContact O-N 2.89Å; R164-Q168 PolarHBondContact O-OE1 2.83Å
165F36.5Very low39.6Very low87 Ų87119.9 Ų119.938%0.38260%0.604SS.*Hα-helixtrans-64.6-36.9173.1-79.3-101.8000111.3N162 P163 Q168 F169 D555N162-F165 HydrophobicContact CB-CD2 3.87Å; N162-F165 HydrophobicContact CB-CE2 4.22Å; N162-F165 PolarHBondContact O-N 3.35Å; P163-F165 PolarHBondContact O-N 3.25Å; F165-Q168 PolarHBondContact O-N 2.9Å; F165-F169 WeakPolarHBondContact O-CD2 3.18Å; F165-F169 PolarHBondContact O-N 2.88Å; F165-D555 HydrophobicContact CE1-CB 4.38Å; F165-D555 HydrophobicContact CZ-CB 4.09Å; F165-D555 WeakPolarHBondContact CZ-OD2 3.46Å
166I40.2Very low39.5Very low100 Ų100121 Ų12151%0.51361%0.606SS.*Hα-helixtrans-68.8-48.7-179.2-54.9176.5000110P163 R164 Q168 F169 E170P163-I166 WeakPolarHBondContact O-CB 3.47Å; P163-I166 PolarHBondContact O-N 3Å; R164-I166 VanDerWaalsContact C-N 3.3Å; R164-I166 PolarHBondContact O-N 2.91Å; I166-Q168 PolarHBondContact O-N 3.31Å; I166-Q168 VanDerWaalsContact O-N 3.17Å; I166-F169 PolarHBondContact O-N 2.82Å; I166-E170 PolarHBondContact O-N 2.93Å; I166-E170 VanDerWaalsContact O-N 3.09Å
167E39.2Very low39.1Very low114 Ų114120.4 Ų120.453%0.53360%0.603SS.*Hα-helixtrans-59.8-27.1177.4-63.4-179.9162.700113.4P163P163-E167 PolarHBondContact O-N 2.8Å
168Q37.9Very low39Very low134 Ų134117.8 Ų117.863%0.62660%0.595SS**Hα-helixtrans-78.2-33.6174.9-75.6176.5-42.500112.7R164 F165 I166R164-Q168 WeakPolarHBondContact O-CG 3.45Å; R164-Q168 PolarHBondContact O-N 2.89Å; R164-Q168 PolarHBondContact O-OE1 2.83Å; F165-Q168 PolarHBondContact O-N 2.9Å; I166-Q168 PolarHBondContact O-N 3.31Å; I166-Q168 VanDerWaalsContact O-N 3.17Å
169F37.9Very low39.8Very low153 Ų153119.8 Ų119.867%0.67159%0.592SS**Hα-helixtrans-72.8-35.5174.1-77.4-63.5000113.1F165 I166 K171 V172 S173F165-F169 WeakPolarHBondContact O-CD2 3.18Å; F165-F169 PolarHBondContact O-N 2.88Å; I166-F169 PolarHBondContact O-N 2.82Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 2.92Å; F169-V172 PolarHBondContact O-N 3.38Å; F169-S173 WeakPolarHBondContact O-CB 3.27Å; F169-S173 PolarHBondContact O-OG 2.93Å
170E37.6Very low39.9Very low138 Ų138122.6 Ų122.665%0.64559%0.593SS**Hα-helixtrans-66.2-27.7-179.7-71-176.915800113.5I166 V172I166-E170 PolarHBondContact O-N 2.93Å; I166-E170 VanDerWaalsContact O-N 3.09Å; E170-V172 PolarHBondContact O-N 3.34Å
171K40Very low40.2Very low183 Ų183121.8 Ų121.880%0.79659%0.588SS**THydrogen-bonded Turntrans-83.6-4.6-178.3-74.3179.3178.4171.60115.4F169F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 2.92Å
172V36.5Very low41.3Very low126 Ų126121.2 Ų121.276%0.76458%0.581SS**THydrogen-bonded Turntrans-115.2-5-174.6-175.30000112.4F169 E170F169-V172 PolarHBondContact O-N 3.38Å; E170-V172 PolarHBondContact O-N 3.34Å
173S31.6Very low42.2Very low53 Ų53120.8 Ų120.837%0.37158%0.584SS.*  trans-122.834.1-157.854.70000116F169 T177F169-S173 WeakPolarHBondContact O-CB 3.27Å; F169-S173 PolarHBondContact O-OG 2.93Å; S173-T177 WeakPolarHBondContact CA-OG1 3.4Å; S173-T177 PolarHBondContact O-OG1 3.12Å
174S37.7Very low42.6Very low101 Ų101119.7 Ų119.771%0.70657%0.573SS**SBendtrans-104.2-10-173.961.70000117.4
175T45.2Very low43.3Very low99 Ų99118.1 Ų118.161%0.60757%0.573SS**SBendtrans-138.6-32.6-176.151.50000116.7
176E43.3Very low44.2Very low150 Ų150119 Ų11970%0.70158%0.58SS**SBendtrans-96-38.7179.9-65.7-167.6118.100113.1D178 R179 Y180E176-D178 PolarHBondContact O-N 3.44Å; E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 2.93Å; E176-Y180 PolarHBondContact O-N 3.31Å
177T40.2Very low44.7Very low59 Ų59119.6 Ų119.636%0.36258%0.579SS.*Hα-helixtrans-56.6-43.3175.9350000113.1S173 Y180 F181S173-T177 WeakPolarHBondContact CA-OG1 3.4Å; S173-T177 PolarHBondContact O-OG1 3.12Å; T177-Y180 PolarHBondContact O-N 3.43Å; T177-F181 PolarHBondContact O-N 3.18Å
178D47.3Very low44.9Very low79 Ų79120 Ų12042%0.42258%0.579SS.*Hα-helixtrans-70.3-31.7180-166.248.1000112.2E176 R182E176-D178 PolarHBondContact O-N 3.44Å; D178-R182 WeakPolarHBondContact O-CB 3.34Å; D178-R182 VanDerWaalsContact O-CG 3.25Å; D178-R182 WeakPolarHBondContact O-CG 3.36Å; D178-R182 PolarHBondContact O-N 2.97Å; D178-R182 IonicContact OD1-NE 3.46Å; D178-R182 IonicContact OD2-CZ 2.65Å; D178-R182 VanDerWaalsContact OD2-CZ 3.23Å; D178-R182 IonicContact OD2-NE 2.79Å; D178-R182 PolarHBondContact OD2-NE 3.39Å; D178-R182 IonicContact OD2-NH2 3.58Å; D178-R182 PolarHBondContact OD2-NH2 2.91Å
179R56.8Low45.8Very low188 Ų188119.9 Ų119.971%0.70958%0.577SS**Hα-helixtrans-64.8-44.5170.1-67.4-179.2-177.6170.12111.1E176 R182 S183E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 2.93Å; R179-R182 PolarHBondContact O-N 3.03Å; R179-S183 PolarHBondContact O-N 3.49Å; R179-S183 PolarHBondContact O-OG 3.39Å
180Y42.2Very low46.5Very low151 Ų151118.5 Ų118.559%0.59257%0.572SS**Hα-helixtrans-68.1-39.8-179-168.1-108.5000112.4E176 T177 S183 L184E176-Y180 PolarHBondContact O-N 3.31Å; T177-Y180 PolarHBondContact O-N 3.43Å; Y180-S183 PolarHBondContact O-N 3.35Å; Y180-S183 PolarHBondContact O-OG 3.02Å; Y180-L184 HydrophobicContact CD1-CD1 3.88Å; Y180-L184 HydrophobicContact CE1-CD1 3.45Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.45Å; Y180-L184 HydrophobicContact CE1-CG 4.24Å; Y180-L184 PolarHBondContact O-N 3.37Å
181F45.5Very low46.9Very low144 Ų144116.9 Ų116.963%0.63257%0.565SS**Hα-helixtrans-64.5-42.7173.3-99.7-83.3000112.3T177 S183 L184 Q185T177-F181 PolarHBondContact O-N 3.18Å; F181-S183 PolarHBondContact O-N 2.98Å; F181-L184 PolarHBondContact O-N 3.18Å; F181-Q185 VanDerWaalsContact O-CB 3.29Å; F181-Q185 WeakPolarHBondContact O-CB 3.19Å; F181-Q185 PolarHBondContact O-N 3.11Å
182R58Low46.9Very low157 Ų157112.8 Ų112.859%0.59255%0.552SS**Hα-helixtrans-64.5-37.7175.3-71177.7-164.2-150.16.1112.7D178 R179 M186D178-R182 WeakPolarHBondContact O-CB 3.34Å; D178-R182 VanDerWaalsContact O-CG 3.25Å; D178-R182 WeakPolarHBondContact O-CG 3.36Å; D178-R182 PolarHBondContact O-N 2.97Å; D178-R182 IonicContact OD1-NE 3.46Å; D178-R182 IonicContact OD2-CZ 2.65Å; D178-R182 VanDerWaalsContact OD2-CZ 3.23Å; D178-R182 IonicContact OD2-NE 2.79Å; D178-R182 PolarHBondContact OD2-NE 3.39Å; D178-R182 IonicContact OD2-NH2 3.58Å; D178-R182 PolarHBondContact OD2-NH2 2.91Å; R179-R182 PolarHBondContact O-N 3.03Å; R182-M186 WeakPolarHBondContact O-CB 3.5Å; R182-M186 WeakPolarHBondContact O-CG 3.25Å; R182-M186 PolarHBondContact O-N 3.16Å
183S56.5Low47.4Very low64 Ų64109.1 Ų109.145%0.44853%0.529SS..Hα-helixtrans-68.9-41.417768.20000112.2R179 Y180 F181 M186 F187R179-S183 PolarHBondContact O-N 3.49Å; R179-S183 PolarHBondContact O-OG 3.39Å; Y180-S183 PolarHBondContact O-N 3.35Å; Y180-S183 PolarHBondContact O-OG 3.02Å; F181-S183 PolarHBondContact O-N 2.98Å; S183-M186 PolarHBondContact O-N 3.2Å; S183-F187 WeakPolarHBondContact O-CB 3.43Å; S183-F187 PolarHBondContact O-N 3.47Å
184L46.9Very low47.9Very low57 Ų57112.8 Ų112.830%0.29854%0.54SS..Hα-helixtrans-64.6-42.8172.9-77.2175.7000112.4Y180 F181 M186 F187 F188Y180-L184 HydrophobicContact CD1-CD1 3.88Å; Y180-L184 HydrophobicContact CE1-CD1 3.45Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.45Å; Y180-L184 HydrophobicContact CE1-CG 4.24Å; Y180-L184 PolarHBondContact O-N 3.37Å; F181-L184 PolarHBondContact O-N 3.18Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 3.27Å; L184-F187 PolarHBondContact O-N 2.69Å; L184-F187 VanDerWaalsContact O-N 3.17Å; L184-F188 HydrophobicContact CB-CE2 4.46Å; L184-F188 HydrophobicContact CD2-CE2 4.27Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å; L184-F188 PolarHBondContact O-N 3.29Å
185Q52.6Low47.8Very low143 Ų143112 Ų11267%0.66853%0.534SS*.Hα-helixtrans-62.3-41.3177.5-170.4175.511.600111.5F181 F189F181-Q185 VanDerWaalsContact O-CB 3.29Å; F181-Q185 WeakPolarHBondContact O-CB 3.19Å; F181-Q185 PolarHBondContact O-N 3.11Å; Q185-F189 VanDerWaalsContact O-CB 3.23Å; Q185-F189 WeakPolarHBondContact O-CB 3.49Å; Q185-F189 PolarHBondContact O-N 3.2Å
186M55.3Low47.8Very low106 Ų106113.7 Ų113.752%0.52254%0.535SS..Hα-helixtrans-64.1-40.9171.9-79-60.8-5600112.6R182 S183 L184 F189 Q190R182-M186 WeakPolarHBondContact O-CB 3.5Å; R182-M186 WeakPolarHBondContact O-CG 3.25Å; R182-M186 PolarHBondContact O-N 3.16Å; S183-M186 PolarHBondContact O-N 3.2Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 3.27Å; M186-F189 PolarHBondContact O-N 3.45Å; M186-Q190 WeakPolarHBondContact O-CB 3.32Å; M186-Q190 WeakPolarHBondContact O-CG 3.39Å; M186-Q190 PolarHBondContact O-N 2.68Å
187F51.3Low47.7Very low113 Ų113115.9 Ų115.950%0.49654%0.537SS..Hα-helixtrans-65.1-45.6179.9-172-102.7000112.2S183 L184 Q190 Q191S183-F187 WeakPolarHBondContact O-CB 3.43Å; S183-F187 PolarHBondContact O-N 3.47Å; L184-F187 PolarHBondContact O-N 2.69Å; L184-F187 VanDerWaalsContact O-N 3.17Å; F187-Q190 PolarHBondContact O-N 2.81Å; F187-Q191 PolarHBondContact O-N 3.06Å
188F42.8Very low47.5Very low121 Ų121123.4 Ų123.453%0.53156%0.559SS.*Hα-helixtrans-67-41.6174.9-71.8-62.1000112.2L184 Q190 Q191 D192L184-F188 HydrophobicContact CB-CE2 4.46Å; L184-F188 HydrophobicContact CD2-CE2 4.27Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å; L184-F188 PolarHBondContact O-N 3.29Å; F188-Q190 VanDerWaalsContact C-N 3.31Å; F188-Q190 PolarHBondContact O-N 2.91Å; F188-Q191 PolarHBondContact O-N 2.89Å; F188-D192 PolarHBondContact O-N 3.21Å
189F57.3Low47Very low132 Ų132124.5 Ų124.558%0.57957%0.573SS**Hα-helixtrans-61.3-38.4174.7-173.8-102.5000112.3Q185 M186 D192 V193Q185-F189 VanDerWaalsContact O-CB 3.23Å; Q185-F189 WeakPolarHBondContact O-CB 3.49Å; Q185-F189 PolarHBondContact O-N 3.2Å; M186-F189 PolarHBondContact O-N 3.45Å; F189-D192 PolarHBondContact O-N 3.03Å; F189-V193 HydrophobicContact CD1-CG2 4.33Å; F189-V193 HydrophobicContact CE1-CG2 4.01Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 WeakPolarHBondContact O-CG2 3.01Å; F189-V193 PolarHBondContact O-N 2.88Å
190Q51.5Low46Very low124 Ų124125.7 Ų125.758%0.57958%0.577SS**Hα-helixtrans-66.8-36.3172.4-78.1-177.3-66.100112.3M186 F187 F188 H194M186-Q190 WeakPolarHBondContact O-CB 3.32Å; M186-Q190 WeakPolarHBondContact O-CG 3.39Å; M186-Q190 PolarHBondContact O-N 2.68Å; F187-Q190 PolarHBondContact O-N 2.81Å; F188-Q190 VanDerWaalsContact C-N 3.31Å; F188-Q190 PolarHBondContact O-N 2.91Å; Q190-H194 WeakPolarHBondContact O-CB 3.38Å; Q190-H194 PolarHBondContact O-N 2.87Å
191Q46Very low45.5Very low104 Ų104126.9 Ų126.949%0.48659%0.586SS.*Hα-helixtrans-65.7-43.4173.4-72.3-165.85.500112.6F187 F188 H194 C195F187-Q191 PolarHBondContact O-N 3.06Å; F188-Q191 PolarHBondContact O-N 2.89Å; Q191-H194 CarbonylContact O-C 3.59Å; Q191-H194 PolarHBondContact O-N 3.11Å; Q191-C195 WeakPolarHBondContact O-CB 3.4Å; Q191-C195 PolarHBondContact O-N 3.47Å
192D41.2Very low44.8Very low98 Ų98127.8 Ų127.852%0.52460%0.597SS.*Hα-helixtrans-60.5-47175.3-90.1-39.6000111.8F188 F189 H194 C195 Q196F188-D192 PolarHBondContact O-N 3.21Å; F189-D192 PolarHBondContact O-N 3.03Å; D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.35Å; D192-C195 PolarHBondContact O-N 3.29Å; D192-Q196 WeakPolarHBondContact O-CB 3.28Å; D192-Q196 WeakPolarHBondContact O-CG 3.4Å; D192-Q196 PolarHBondContact O-N 2.7Å
193V47Very low43.7Very low48 Ų48126.9 Ų126.929%0.29161%0.609SS.*Hα-helixtrans-63.7-36.2176173.70000111.4F189 R197F189-V193 HydrophobicContact CD1-CG2 4.33Å; F189-V193 HydrophobicContact CE1-CG2 4.01Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 WeakPolarHBondContact O-CG2 3.01Å; F189-V193 PolarHBondContact O-N 2.88Å; V193-R197 HydrophobicContact CG1-CG 4.46Å; V193-R197 VanDerWaalsContact O-CB 3.29Å; V193-R197 WeakPolarHBondContact O-CB 2.95Å; V193-R197 VanDerWaalsContact O-CG 3.23Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.33Å
194H41.2Very low42.1Very low130 Ų130133.8 Ų133.860%0.60263%0.627SS**Hα-helixtrans-75.5-23.9178-149.9-39.1000113.1Q190 Q191 D192Q190-H194 WeakPolarHBondContact O-CB 3.38Å; Q190-H194 PolarHBondContact O-N 2.87Å; Q191-H194 CarbonylContact O-C 3.59Å; Q191-H194 PolarHBondContact O-N 3.11Å; D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.35Å
195C36.1Very low41.7Very low86 Ų86136.7 Ų136.758%0.58165%0.649SS**Hα-helixtrans-78.5-50.1172.9-1620000111Q191 D192 R197 R198 S199Q191-C195 WeakPolarHBondContact O-CB 3.4Å; Q191-C195 PolarHBondContact O-N 3.47Å; D192-C195 PolarHBondContact O-N 3.29Å; C195-R197 VanDerWaalsContact C-N 3.28Å; C195-R197 PolarHBondContact O-N 3.38Å; C195-R198 WeakPolarHBondContact O-CA 2.84Å; C195-R198 WeakPolarHBondContact O-CB 3.23Å; C195-R198 PolarHBondContact O-N 3.45Å; C195-S199 PolarHBondContact O-N 2.63Å
196Q44.3Very low40.6Very low134 Ų134138 Ų13863%0.62666%0.655SS**Hα-helixtrans-65.2-26.8177.8-68.7-177.18.200113.6D192 R198D192-Q196 WeakPolarHBondContact O-CB 3.28Å; D192-Q196 WeakPolarHBondContact O-CG 3.4Å; D192-Q196 PolarHBondContact O-N 2.7Å; Q196-R198 VanDerWaalsContact C-N 3.28Å
197R41.2Very low39.7Very low195 Ų195139.3 Ų139.374%0.73666%0.664SS**THydrogen-bonded Turntrans-74.9-14169.8-75.9179.6179.6-159.8-0.1113.7V193 C195V193-R197 HydrophobicContact CG1-CG 4.46Å; V193-R197 VanDerWaalsContact O-CB 3.29Å; V193-R197 WeakPolarHBondContact O-CB 2.95Å; V193-R197 VanDerWaalsContact O-CG 3.23Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.33Å; C195-R197 VanDerWaalsContact C-N 3.28Å; C195-R197 PolarHBondContact O-N 3.38Å
198R35.8Very low38.8Very low217 Ų217142.1 Ų142.182%0.81968%0.681SS**THydrogen-bonded Turntrans-97.5-11-178.9-134.1175.5-172.41732.3114.1C195 Q196C195-R198 WeakPolarHBondContact O-CA 2.84Å; C195-R198 WeakPolarHBondContact O-CB 3.23Å; C195-R198 PolarHBondContact O-N 3.45Å; Q196-R198 VanDerWaalsContact C-N 3.28Å
199S37.7Very low38.5Very low102 Ų102143.6 Ų143.671%0.71369%0.689SS**SBendtrans-105.213174.756.50000113.8C195C195-S199 PolarHBondContact O-N 2.63Å
200R35.7Very low37.4Very low213 Ų213143.7 Ų143.780%0.80469%0.691SS**  trans-129.443.8-172.7-151.8179.6-163166.96.5113.7
201F31.4Very low36.7Very low176 Ų176143.7 Ų143.777%0.77270%0.695SS**  trans-144.379.5170.6-104.5-79.8000109.9
202D30.3Very low36.3Very low163 Ų163147 Ų14787%0.87271%0.711SS**  trans-166.8155.5153.6-97.6-36.1000107.9
203V34.7Very low36.2Very low138 Ų138149 Ų14984%0.83673%0.726SS**  trans79.4100.3-166.3-172.50000115
204Y24.8Very low36.4Very low210 Ų210152.1 Ų152.182%0.82475%0.748SS**  trans-96.5146.5157.3-77.9-94.9000110.3
205P37Very low36.6Very low117 Ų117151.4 Ų151.476%0.7676%0.755SS**  trans-106.7158.6147.434-25.4000111.6
206E31.1Very low36.6Very low170 Ų170152.2 Ų152.279%0.79476%0.761SS**  trans-79.1171.7-164.8-54.4172.913000115.9
207N34.4Very low36Very low135 Ų135155.6 Ų155.672%0.72277%0.774SS**  trans74.295.4154.1-53.9-45.3000119.1
208M33.8Very low35.8Very low172 Ų172152 Ų15285%0.84777%0.774SS**  -176.315894.6-98.3-171.2166.500114.7
209Q36.1Very low35.9Very low151 Ų151147.6 Ų147.671%0.70677%0.774SS**  trans-21.3155.6163.1-70.7171.7-77.700119.1
210E33.4Very low35.6Very low134 Ų134153 Ų15363%0.62678%0.78SS**  cis-178.4150.3-5.1162.5174.5166.900110.2
211N37.4Very low35.5Very low124 Ų124152.2 Ų152.266%0.66378%0.777SS**  trans60.8140.9169.7-68.3-32.8000117.4
212Q37.3Very low35.9Very low175 Ų175152.4 Ų152.482%0.81878%0.78SS**  cis-153.6178.520.2-121.61533700111.6
213V39Very low36.1Very low139 Ų139151 Ų15184%0.84277%0.769SS**  trans-120.9140.9-157.5167.90000115.4
214P50.8Low36.4Very low114 Ų114152.8 Ų152.874%0.7477%0.772SS**  trans-113.6156.5169.340-32.2000114.7
215P46.4Very low37.1Very low115 Ų115148 Ų14875%0.74777%0.767SS**  trans-133.5136.5168.939.2-24.5000117.4
216S35.5Very low37.2Very low102 Ų102146.6 Ų146.671%0.71377%0.765SS**  trans61.2132.7133.967.60000124.7
217F31.3Very low37.7Very low205 Ų205146 Ų14690%0.89977%0.767SS**  -150.1161.1117.7-132.4-90.4000111
218T38.3Very low37.8Very low121 Ų121149.2 Ų149.274%0.74278%0.778SS**  trans-136.5166.1-168.129.90000113.8
219P38.1Very low37.8Very low124 Ų124149.5 Ų149.581%0.80578%0.775SS**  trans-100.3-178.8-156.240.1-38.3000116.2
220Y31.5Very low37.8Very low216 Ų216151.2 Ų151.285%0.84779%0.785SS**  trans-115.1160.2177.1-138.3-101000112.3
221R33.7Very low38Very low196 Ų196151.6 Ų151.674%0.7479%0.791SS**  trans-145144.9-179.3174.3-175.3-179.5-178.1-0.5109.2E223R221-E223 IonicContact CZ-OE1 2.91Å; R221-E223 IonicContact NE-OE1 2.7Å; R221-E223 PolarHBondContact NE-OE1 2.99Å; R221-E223 IonicContact NH2-OE1 3.78Å; R221-E223 PolarHBondContact NH2-OE1 2.92Å; R221-E223 IonicContact NH2-OE2 2.81Å
222E38.2Very low37.9Very low179 Ų179152.4 Ų152.484%0.83680%0.8SS**  trans-148139.3174.5-145.1161.6-143.400110.9
223E35.3Very low37.9Very low135 Ų135150.3 Ų150.363%0.63180%0.799SS**  trans-148.3134-176.7-75173.2-154.200109.8R221R221-E223 IonicContact CZ-OE1 2.91Å; R221-E223 IonicContact NE-OE1 2.7Å; R221-E223 PolarHBondContact NE-OE1 2.99Å; R221-E223 IonicContact NH2-OE1 3.78Å; R221-E223 PolarHBondContact NH2-OE1 2.92Å; R221-E223 IonicContact NH2-OE2 2.81Å
224L42Very low37.4Very low174 Ų174150.3 Ų150.391%0.91179%0.793SS**  trans-154.3160.7165-87.7-175.4000110.3
225P39.3Very low36.7Very low110 Ų110150.5 Ų150.571%0.71480%0.795SS**  trans-140.4178.4-131.244.5-27.6000118.3
226A38.3Very low36Very low87 Ų87153 Ų15372%0.71980%0.797SS**  trans71.9136.214200000123.3
227D41.4Very low36Very low157 Ų157154.9 Ų154.984%0.8480%0.803SS**  trans51.5105147-63.9-24.8000122.6
228Q37.2Very low36.4Very low203 Ų203153.2 Ų153.295%0.94980%0.798SS**  -154.3145.5116.3-118.6172.85.600113.1
229K34.1Very low36.3Very low179 Ų179153.4 Ų153.478%0.77879%0.794SS**  trans-96.7148.9173.7-75.5-174.7177.6-173.20111.4
230M35.2Very low36.1Very low187 Ų187153.1 Ų153.192%0.92179%0.793SS**  trans-139.2135.7145.6-74.3-162.7121.400109.9
231D37.6Very low36.3Very low141 Ų141153.4 Ų153.475%0.75479%0.792SS**  trans-87.7141.6178.6-54.8-81000111.2
232V34.6Very low36.3Very low141 Ų141152.4 Ų152.486%0.85580%0.801SS**  trans-132.9133165.6-178.10000108.4
233V37.5Very low36.1Very low131 Ų131153.9 Ų153.979%0.79480%0.804SS**  trans-96.7149.4-166.6-1780000111.4
234L28.7Very low36.1Very low139 Ų139152.4 Ų152.473%0.72882%0.815SS**  trans-62.3166.5172.9-84.989.2000112.8E236L234-E236 HydrophobicContact CD2-CG 4.35Å
235P36.4Very low35.7Very low119 Ų119154.1 Ų154.177%0.77382%0.815SS**  -127.2142117.719.8-3.6000113.2
236E32.7Very low35.3Very low167 Ų167160.4 Ų160.478%0.7883%0.825SS**  trans-76.6150.5168.1-64.8167.2102.100111.1L234L234-E236 HydrophobicContact CD2-CG 4.35Å
237V34.9Very low35Very low141 Ų141161.4 Ų161.486%0.85582%0.824SS**  trans-130.6109.9164.6-178.50000109.2
238H39.8Very low34.2Very low171 Ų171161.5 Ų161.579%0.79282%0.817SS**  trans-81.2131.3167.8-95.7-47.5000110.6
239D36.7Very low34Very low124 Ų124157.4 Ų157.466%0.66381%0.806SS**  trans-105.8112.2151.6-167.9-31.3000110R241D239-R241 PolarHBondContact O-N 3.45Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 VanDerWaalsContact OD1-CG 3.31Å; D239-R241 WeakPolarHBondContact OD1-CG 3.37Å; D239-R241 PolarHBondContact OD1-N 3.04Å
240P33.9Very low33.6Very low118 Ų118155 Ų15577%0.76680%0.802SS**  trans-93.963.5-177.437.5-35.4000113.4
241R35.2Very low33.6Very low222 Ų222152.3 Ų152.384%0.83880%0.796SS**  trans-119.736.5-177.2-76.2-174.5170.3-162.2-0117.7D239D239-R241 PolarHBondContact O-N 3.45Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 VanDerWaalsContact OD1-CG 3.31Å; D239-R241 WeakPolarHBondContact OD1-CG 3.37Å; D239-R241 PolarHBondContact OD1-N 3.04Å
242L32.9Very low33.1Very low176 Ų176153.4 Ų153.492%0.92179%0.79SS**  trans-114.883.7168.3-83.8170000113.3
243K34.9Very low32.8Very low210 Ų210155.8 Ų155.891%0.91379%0.786SS**  trans-147.385.7170-74.5-169.4-180175.30114.1
244A34.7Very low32.6Very low104 Ų104154.9 Ų154.986%0.8679%0.785SS**  trans-172.887.3145.600000112.9
245K33.8Very low32.8Very low209 Ų209155.1 Ų155.191%0.90979%0.792SS**  trans-79.9134.6149.1-70-175.8178.7-176.60107.9
246R30.1Very low32.6Very low242 Ų242156.8 Ų156.891%0.91379%0.793SS**  trans-157.5157.7153.2-106.5167.7-150.7-80.4-0.9109.5
247P32Very low32.8Very low109 Ų109153.4 Ų153.471%0.70879%0.786SS**  trans-97.1169.1-141.936.8-39.2000116.1V249P247-V249 PolarHBondContact O-N 3.03Å
248F25.7Very low32.8Very low159 Ų159153.6 Ų153.670%0.69778%0.782SS**  trans-58.8122164.8-158.1-91.5000110.8N250F248-N250 HydrophobicContact CE1-CB 4.48Å
249V33.3Very low32.5Very low117 Ų117153 Ų15371%0.70978%0.78SS**  trans-136.7131164.4-177.40000108P247P247-V249 PolarHBondContact O-N 3.03Å
250N25.9Very low32.5Very low128 Ų128153.4 Ų153.468%0.68479%0.786SS**  trans-121.2109.8-178.4177.828000109.1F248F248-N250 HydrophobicContact CE1-CB 4.48Å
251T33.6Very low32.6Very low130 Ų130156.9 Ų156.980%0.79879%0.789SS**  trans-137.2136.2175.530.70000110.6
252Y28.3Very low33Very low164 Ų164151.6 Ų151.664%0.64378%0.784SS**  trans-99.1153.8-175.4-117.1-81.4000111.1
253Y28.3Very low33.4Very low192 Ų192148.1 Ų148.175%0.75377%0.772SS**  trans51.4108.3165.7-61.4-63.2000118.6
254S32.3Very low33.5Very low111 Ų111145.4 Ų145.478%0.77677%0.766SS**  172.4132.3102.8-74.90000114.1
255V34.1Very low33.5Very low144 Ų144148 Ų14887%0.87376%0.764SS**  trans39.7128.1146.4-163.50000121.7
256L32.1Very low33.6Very low154 Ų154140.8 Ų140.881%0.80675%0.75SS**  trans-57.8175.9169.7-68.7171.6000116.5
257P36.2Very low34Very low96 Ų96137.7 Ų137.762%0.62375%0.745SS**  cis-139.3-167.3-29.636.9-17.2000114.4
258N35.7Very low34.1Very low146 Ų146136.5 Ų136.578%0.78175%0.745SS**  trans72.9147.9158.3-67.24.5000117.7
259E32.3Very low34.5Very low158 Ų158135 Ų13574%0.73875%0.749SS**  cis-165.8172.2-12.7-115.9-75.6113.500109.6
260V37.5Very low34.6Very low132 Ų132135.4 Ų135.480%0.875%0.751SS**  trans73.1160.3169.5-162.20000118.5
261K34.6Very low35.1Very low191 Ų191134.1 Ų134.183%0.8376%0.759SS**  trans-114.3163.6-162.7-90.5177.2173.7172.30115.8
262P44.5Very low35.1Very low112 Ų112131 Ų13173%0.72775%0.753SS**  trans-88.2-148.816842.1-38.3000110.3
263P42.4Very low35.6Very low102 Ų102128.8 Ų128.866%0.66276%0.761SS**  cis-146.9-165.2028.50.4000117.7
264L35Very low36.2Very low153 Ų153125 Ų12580%0.80176%0.763SS**  trans114.8157.7141.9-58.9-178.6000120.8
265I36.1Very low36.4Very low158 Ų158124.6 Ų124.681%0.8177%0.766SS**  trans75.6134.7167.3-43.3179.6000115.8
266G35.2Very low36.3Very low59 Ų59121.2 Ų121.261%0.60876%0.761SS**  cis164.3169.3-8.900000113.9
267H37.9Very low36.4Very low176 Ų176122.4 Ų122.482%0.81577%0.766SS**  trans70.8135.1169.3-50.5-78.1000116.1
268A35.1Very low36.4Very low85 Ų85122.1 Ų122.170%0.70277%0.771SS**  74.714753.300000112.3
269T34.7Very low36.7Very low127 Ų127121.2 Ų121.278%0.77977%0.774SS**  cis-159.7178.59.7-18.80000107.5
270T35.2Very low36.9Very low125 Ų125119 Ų11977%0.76778%0.776SS**  cis-163.8160.512-23.90000111
271A36.9Very low36.8Very low102 Ų102118.1 Ų118.184%0.84378%0.775SS**  trans63.3155.215100000121
272G33.3Very low36.9Very low65 Ų65114.3 Ų114.367%0.6777%0.773SS**  cis171.5-175.4-7.700000114.5
273S37.4Very low36.5Very low116 Ų116113.3 Ų113.381%0.81177%0.774SS**  trans70.1111.4156.4-58.50000118.7
274S41.2Very low36Very low113 Ų113113.6 Ų113.679%0.7978%0.778SS**  84.8143.665.273.60000114.3
275A37.6Very low36.1Very low102 Ų102112.2 Ų112.284%0.84378%0.776SS**  cis-172.7174.9-12.100000109.9
276G31.7Very low36Very low74 Ų74112 Ų11276%0.76378%0.775SS**  trans90.9156.2174.600000114.1
277I34.7Very low35.7Very low178 Ų178115.4 Ų115.491%0.91378%0.78SS**  cis-125.8163.117.2-74.6167.5000111.8
278A36.1Very low35.3Very low90 Ų90112.4 Ų112.474%0.74477%0.774SS**  trans-95.8171.2-167.400000115.2
279P41.6Very low35.2Very low128 Ų128113.8 Ų113.883%0.83177%0.774SS**  trans-110.1177.9-166.342.3-35.3000115.6
280S35.8Very low35.1Very low112 Ų112117.2 Ų117.278%0.78378%0.784SS**  trans-160170.5164.157.40000111.8
281S35.8Very low35.1Very low112 Ų112118.2 Ų118.278%0.78378%0.783SS**  -178.2103.4-68.950.40000112
282S37.9Very low34.9Very low111 Ų111118.5 Ų118.578%0.77678%0.779SS**  trans-171.4132.1167.451.60000108.2
283A34.4Very low35.1Very low92 Ų92127.1 Ų127.176%0.7679%0.792SS**  62.2127.851.800000112.4
284S33.4Very low35.2Very low107 Ų107130.6 Ų130.675%0.74879%0.792SS**  cis-169.8178.2-1.3390000110.8
285V36.4Very low35.6Very low124 Ų124129.2 Ų129.275%0.75279%0.788SS**  trans120.9140.8146.3-177.90000115.6
286L34.6Very low36.4Very low153 Ų153128 Ų12880%0.80177%0.77SS**  trans-7.7155.1161.6-54.4166.4000118.1
287D29Very low37.8Very low132 Ų132127.6 Ų127.671%0.70675%0.753SS**  cis-161.9168.941.2-161.811.6000115.6
288T28.1Very low39.2Very low112 Ų112119.8 Ų119.869%0.68771%0.713SS**  trans-28.7125.9169.4-51.50000117.8
289T34.3Very low40.4Very low114 Ų114120.9 Ų120.970%0.69970%0.703SS**  trans-167.183.514212.10000111.7L291T289-L291 HydrophobicContact CG2-CD1 3.95Å; T289-L291 HydrophobicContact CG2-CG 4.42Å; T289-L291 PolarHBondContact O-N 2.96Å
290M31.2Very low41.3Very low200 Ų200119.5 Ų119.599%0.98569%0.687SS**  trans-80.560.3167.9-84.1-69.9172.100111.2
291L36.6Very low42.4Very low145 Ų145115.4 Ų115.476%0.75966%0.658SS**  trans-88.3135.1171.1-79.8168.1000110.3T289 R293T289-L291 HydrophobicContact CG2-CD1 3.95Å; T289-L291 HydrophobicContact CG2-CG 4.42Å; T289-L291 PolarHBondContact O-N 2.96Å; L291-R293 PolarHBondContact O-N 2.74Å; L291-R293 VanDerWaalsContact O-N 3.16Å
292S31.2Very low42.7Very low109 Ų109115.5 Ų115.576%0.76266%0.658SS**  trans-48.3116.6-176.2-177.30000112.6K294S292-K294 PolarHBondContact O-N 3.33Å
293R37.2Very low42.7Very low245 Ų245116.1 Ų116.193%0.92565%0.653SS**  trans-67.285.4166.8-74.1-174.8176.8179.3-1109L291 A295L291-R293 PolarHBondContact O-N 2.74Å; L291-R293 VanDerWaalsContact O-N 3.16Å; R293-A295 PolarHBondContact O-N 3.28Å
294K40.4Very low42.5Very low189 Ų189118.8 Ų118.882%0.82265%0.654SS**  trans-52.6130160.5-78.1-174.6173.6-177.70107.7S292S292-K294 PolarHBondContact O-N 3.33Å
295A48.7Very low42.6Very low85 Ų85119.1 Ų119.170%0.70266%0.657SS**  trans-63141.2174.800000109.7R293 T297R293-A295 PolarHBondContact O-N 3.28Å; A295-T297 PolarHBondContact O-N 3.49Å; A295-T297 VanDerWaalsContact O-N 3.14Å
296T54.6Low42.6Very low76 Ų76115.7 Ų115.747%0.46664%0.639SS.*  trans-61113.1172.2-58.50000109.5V298 H375T296-V298 HydrophobicContact CG2-CG2 4.15Å; T296-H375 VanDerWaalsContact CG2-CE1 3.49Å; T296-H375 WeakPolarHBondContact CG2-CE1 3.48Å
297T60.9Low42.6Very low65 Ų65113.8 Ų113.840%0.39964%0.638SS.*  trans-93.3116.4177.4-58.90000109.1A295 E299 N407A295-T297 PolarHBondContact O-N 3.49Å; A295-T297 VanDerWaalsContact O-N 3.14Å; T297-E299 HydrophobicContact CG2-CG 3.81Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.24Å; T297-N407 PolarHBondContact O-N 3.16Å
298V65.2Low43Very low14 Ų14113.1 Ų113.19%0.08564%0.639CS.*EExtended strand (participates in β ladder)trans-116.3123.1169.7-175.60000107.7T296 V388 F391 V404 N405 V406T296-V298 HydrophobicContact CG2-CG2 4.15Å; V298-V388 HydrophobicContact CG2-CG1 4.34Å; V298-F391 HydrophobicContact CB-CB 3.84Å; V298-F391 HydrophobicContact CB-CD1 4.06Å; V298-F391 HydrophobicContact CB-CD2 4.16Å; V298-F391 HydrophobicContact CB-CG 3.75Å; V298-F391 HydrophobicContact CG1-CB 4.01Å; V298-F391 HydrophobicContact CG1-CD1 3.51Å; V298-F391 HydrophobicContact CG1-CD2 4.48Å; V298-F391 HydrophobicContact CG1-CE1 4.07Å; V298-F391 HydrophobicContact CG1-CG 3.75Å; V298-F391 HydrophobicContact CG2-CB 4.32Å; V298-F391 WeakPolarHBondContact O-CD2 3.42Å; V298-F391 WeakPolarHBondContact O-CE2 3.24Å; V298-V404 HydrophobicContact CG1-CG1 3.61Å; V298-N405 CarbonylContact C-O 3.6Å; V298-N405 WeakPolarHBondContact CA-O 3.39Å; V298-V406 HydrophobicContact CG1-CG2 4.43Å; V298-V406 HydrophobicContact CG2-CG1 4.4Å
299E61.3Low43.7Very low113 Ų113110.1 Ų110.153%0.52862%0.62SS.*EExtended strand (participates in β ladder)trans-137.9149.5-175.7-73.1178.4-173.800110.8T297 V404 N405T297-E299 HydrophobicContact CG2-CG 3.81Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.24Å; E299-V404 WeakPolarHBondContact O-CG1 3.35Å; E299-N405 HydrophobicContact CB-CB 4.39Å; E299-N405 PolarHBondContact N-O 2.94Å; E299-N405 PolarHBondContact O-N 2.94Å
300I61.1Low44Very low99 Ų99109.7 Ų109.751%0.50862%0.619SS.*EExtended strand (participates in β ladder)trans-90.3122.7-179.3-60.1175.4000109.1S302 F391I300-S302 PolarHBondContact O-N 3.33Å; I300-S302 VanDerWaalsContact O-N 3.17Å; I300-S302 PolarHBondContact O-OG 3.38Å; I300-F391 HydrophobicContact CD1-CE1 4.29Å; I300-F391 HydrophobicContact CD1-CZ 4.47Å; I300-F391 HydrophobicContact CG1-CE1 4.01Å; I300-F391 HydrophobicContact CG1-CZ 4.21Å
301V57.7Low45.1Very low26 Ų26107.3 Ų107.316%0.15861%0.609CS.*  trans-66.3116175.4-174.30000108.6D303 N405 K410V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 HydrophobicContact CG1-CB 4.28Å; V301-D303 PolarHBondContact O-N 3.05Å; V301-N405 HydrophobicContact CG2-CB 4.35Å; V301-N405 WeakPolarHBondContact CG2-OD1 3.49Å; V301-K410 HydrophobicContact CG1-CD 4.35Å; V301-K410 HydrophobicContact CG2-CD 4.18Å; V301-K410 HydrophobicContact CG2-CG 4.08Å
302S41.7Very low46.2Very low114 Ų114104.3 Ų104.380%0.79759%0.594SS**  trans-93.922.1-169.5-60.90000113.6I300I300-S302 PolarHBondContact O-N 3.33Å; I300-S302 VanDerWaalsContact O-N 3.17Å; I300-S302 PolarHBondContact O-OG 3.38Å
303D39.5Very low48.5Very low124 Ų124102.5 Ų102.566%0.66358%0.576SS**  trans-100.4122-177.2-64.6-38.2000112.4V301V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 HydrophobicContact CG1-CB 4.28Å; V301-D303 PolarHBondContact O-N 3.05Å
304D30.1Very low50.7Low148 Ų14897.9 Ų97.979%0.79156%0.558SS**SBendtrans41126.9163-87.4-36.8000122.4S306D304-S306 PolarHBondContact O-N 3.14Å; D304-S306 VanDerWaalsContact O-N 3.16Å
305S34.5Very low52.8Low114 Ų11490 Ų9080%0.79753%0.525SS*.SBendtrans74.4-14144.476.10000121.8
306S37.2Very low54.5Low53 Ų5392.9 Ų92.937%0.37152%0.519SS..  trans-99.5-14.5-170.568.70000117.7D304 T308D304-S306 PolarHBondContact O-N 3.14Å; D304-S306 VanDerWaalsContact O-N 3.16Å; S306-T308 PolarHBondContact O-N 3.12Å; S306-T308 VanDerWaalsContact O-N 3.08Å
307S35.2Very low55.7Low112 Ų11290.8 Ų90.878%0.78351%0.505SS*.  trans-88.850-166.770.10000115.4V309S307-V309 PolarHBondContact O-N 3.11Å
308T35.4Very low56.5Low118 Ų11893.7 Ų93.772%0.72452%0.519SS*.  trans-80.331.3-175.552.50000115.2S306 P310S306-T308 PolarHBondContact O-N 3.12Å; S306-T308 VanDerWaalsContact O-N 3.08Å; T308-P310 WeakPolarHBondContact O-CD 3.09Å
309V44.5Very low57.1Low50 Ų5096.5 Ų96.530%0.30355%0.551SS.*  trans-95.3107.2177.8-174.10000109.9S307 I311 R394S307-V309 PolarHBondContact O-N 3.11Å; V309-I311 PolarHBondContact O-N 2.98Å; V309-R394 PolarHBondContact O-NH1 3.06Å
310P40.2Very low58Low104 Ų10496 Ų9668%0.67555%0.551SS**  trans-56.7138.2-175.2-25.535.5000112.4T308 N312 R394T308-P310 WeakPolarHBondContact O-CD 3.09Å; P310-N312 PolarHBondContact O-N 3.01Å; P310-R394 PolarHBondContact O-NH2 3.41Å
311I53.3Low59Low151 Ų15193.7 Ų93.777%0.77455%0.547SS*.  trans-73.896.6178.9-55.8173.4000108.5V309V309-I311 PolarHBondContact O-N 2.98Å
312N61.3Low60.4Low81 Ų8193.7 Ų93.743%0.43354%0.544SS..  trans-128.787.6176.3-17625.4000110.7P310 R314P310-N312 PolarHBondContact O-N 3.01Å; N312-R314 PolarHBondContact O-N 3.15Å; N312-R314 WeakPolarHBondContact OD1-CB 3.35Å; N312-R314 PolarHBondContact OD1-N 2.95Å
313N77.8Confident62.6Low72 Ų7292.8 Ų92.839%0.38553%0.527SS..  trans-77.823.9175.2-57.922000112.1V324 S383N313-V324 PolarHBondContact O-N 3.24Å; N313-S383 PolarHBondContact OD1-OG 3.43Å
314R83.7Confident65Low147 Ų14787.2 Ų87.256%0.55550%0.498SS*.EExtended strand (participates in β ladder)trans-113.6121.9-179.8-60.1-178.6175.3-176-2.1111.7N312 Y316 Y322N312-R314 PolarHBondContact O-N 3.15Å; N312-R314 WeakPolarHBondContact OD1-CB 3.35Å; N312-R314 PolarHBondContact OD1-N 2.95Å; R314-Y316 HydrophobicContact CB-CE2 4.17Å; R314-Y322 CarbonylContact C-O 3.06Å; R314-Y322 VanDerWaalsContact CA-O 3.23Å; R314-Y322 WeakPolarHBondContact CA-O 3.39Å
315L84Confident67.7Low24 Ų2482.8 Ų82.813%0.12647%0.47CS..EExtended strand (participates in β ladder)trans-90.7128.7170.2-173.871.1000108.9V317 Y322 V324 I342 P382 V422L315-V317 HydrophobicContact CD2-CG2 3.75Å; L315-V317 HydrophobicContact CG-CG2 3.76Å; L315-Y322 PolarHBondContact N-O 2.74Å; L315-Y322 PolarHBondContact O-N 3.27Å; L315-V324 HydrophobicContact CB-CG2 3.92Å; L315-I342 HydrophobicContact CD2-CD1 4.17Å; L315-I342 HydrophobicContact CD2-CG2 4.25Å; L315-P382 HydrophobicContact CD1-CG 4.48Å; L315-V422 HydrophobicContact CD1-CB 3.99Å; L315-V422 HydrophobicContact CD1-CG1 3.89Å; L315-V422 HydrophobicContact CD1-CG2 4.07Å; L315-V422 HydrophobicContact CD2-CG1 3.7Å; L315-V422 HydrophobicContact CG-CG1 4.47Å
316Y85Confident70.3Confident146 Ų14679.3 Ų79.357%0.57344%0.441SS*.EExtended strand (participates in β ladder)trans-98.1118.3176.8-75.1-103.9000109.5R314 L320 A321R314-Y316 HydrophobicContact CB-CE2 4.17Å; Y316-L320 WeakPolarHBondContact CA-O 3.46Å; Y316-A321 HydrophobicContact CD1-CB 3.99Å; Y316-A321 HydrophobicContact CE1-CB 3.64Å; Y316-A321 HydrophobicContact CE2-CB 4.3Å; Y316-A321 HydrophobicContact CG-CB 4.48Å
317V80.1Confident72.6Confident31 Ų3177.2 Ų77.219%0.18843%0.425CS..EExtended strand (participates in β ladder)trans-139.2134.6179.7-171.60000109.1L315 G319 L320 Y322 I424L315-V317 HydrophobicContact CD2-CG2 3.75Å; L315-V317 HydrophobicContact CG-CG2 3.76Å; V317-G319 PolarHBondContact O-N 3.13Å; V317-G319 VanDerWaalsContact O-N 3.11Å; V317-L320 PolarHBondContact N-O 3.29Å; V317-L320 PolarHBondContact O-N 3.38Å; V317-Y322 HydrophobicContact CB-CD2 4.21Å; V317-Y322 HydrophobicContact CB-CE2 4.07Å; V317-I424 HydrophobicContact CB-CD1 4.17Å; V317-I424 HydrophobicContact CG1-CD1 3.82Å; V317-I424 HydrophobicContact CG2-CD1 3.92Å
318D78Confident74.7Confident126 Ų12677.8 Ų77.867%0.67442%0.419SS*.THydrogen-bonded Turntrans5429.5-177.3-47.9-35.6000113.3L320 R335D318-L320 PolarHBondContact O-N 2.92Å; D318-R335 IonicContact OD2-CZ 3.19Å; D318-R335 IonicContact OD2-NH2 2.81Å; D318-R335 PolarHBondContact OD2-NH2 3.22Å
319G77.9Confident76.9Confident74 Ų7475.4 Ų75.476%0.76340%0.4SS*.THydrogen-bonded Turntrans79-7.6-174.200000115.3V317V317-G319 PolarHBondContact O-N 3.13Å; V317-G319 VanDerWaalsContact O-N 3.11Å
320L79.1Confident79.1Confident102 Ų10275.2 Ų75.253%0.53440%0.399SS..EExtended strand (participates in β ladder)trans-93.7139.4179.5-61.9175.2000111.4Y316 V317 D318 Y322Y316-L320 WeakPolarHBondContact CA-O 3.46Å; V317-L320 PolarHBondContact N-O 3.29Å; V317-L320 PolarHBondContact O-N 3.38Å; D318-L320 PolarHBondContact O-N 2.92Å; L320-Y322 HydrophobicContact CB-CD2 4.43Å; L320-Y322 HydrophobicContact CB-CE2 3.78Å
321A83.6Confident81.6Confident50 Ų5070.6 Ų70.641%0.41337%0.369SS..EExtended strand (participates in β ladder)trans-96108.4179.400000110.9Y316Y316-A321 HydrophobicContact CD1-CB 3.99Å; Y316-A321 HydrophobicContact CE1-CB 3.64Å; Y316-A321 HydrophobicContact CE2-CB 4.3Å; Y316-A321 HydrophobicContact CG-CB 4.48Å
322Y86.8Confident83.5Confident27 Ų2763.4 Ų63.411%0.10633%0.333CS..EExtended strand (participates in β ladder)trans-98133.6179.5-64.1-82.2000111.3R314 L315 V317 L320 I333 E334 R335R314-Y322 CarbonylContact C-O 3.06Å; R314-Y322 VanDerWaalsContact CA-O 3.23Å; R314-Y322 WeakPolarHBondContact CA-O 3.39Å; L315-Y322 PolarHBondContact N-O 2.74Å; L315-Y322 PolarHBondContact O-N 3.27Å; V317-Y322 HydrophobicContact CB-CD2 4.21Å; V317-Y322 HydrophobicContact CB-CE2 4.07Å; L320-Y322 HydrophobicContact CB-CD2 4.43Å; L320-Y322 HydrophobicContact CB-CE2 3.78Å; Y322-I333 HydrophobicContact CD1-CD1 4.25Å; Y322-I333 HydrophobicContact CD2-CD1 4.21Å; Y322-I333 HydrophobicContact CG-CB 4.45Å; Y322-I333 HydrophobicContact CG-CD1 3.95Å; Y322-E334 VanDerWaalsContact CD1-O 3.28Å; Y322-E334 WeakPolarHBondContact CD1-O 3.15Å; Y322-E334 WeakPolarHBondContact CE1-O 3.24Å; Y322-R335 HydrophobicContact CD1-CG 4.41Å; Y322-R335 HydrophobicContact CE1-CB 4.42Å; Y322-R335 HydrophobicContact CE1-CG 3.84Å; Y322-R335 PolarHBondContact OH-NE 3.41Å; Y322-R335 PolarHBondContact OH-NH2 3Å
323E87.5Confident84.9Confident95 Ų9559.6 Ų59.644%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-75.8124.1172-177178.5-115.300110.5R325E323-R325 HydrophobicContact CG-CG 4.32Å; E323-R325 IonicContact OE2-CZ 3.52Å; E323-R325 IonicContact OE2-NE 2.98Å; E323-R325 PolarHBondContact OE2-NE 3.31Å; E323-R325 IonicContact OE2-NH2 3.72Å; E323-R325 PolarHBondContact OE2-NH2 3.48Å
324V89.9Confident85.5Confident7 Ų760.5 Ų60.54%0.04231%0.314CS..PPolyproline II helixtrans-79.3122.6173.3-178.80000109.1N313 L315 F326 I333 I342N313-V324 PolarHBondContact O-N 3.24Å; L315-V324 HydrophobicContact CB-CG2 3.92Å; V324-F326 HydrophobicContact CG1-CE2 3.92Å; V324-F326 HydrophobicContact CG1-CZ 4.26Å; V324-I333 HydrophobicContact CG2-CG2 4.25Å; V324-I342 HydrophobicContact CB-CD1 4.34Å; V324-I342 HydrophobicContact CG1-CD1 3.74Å; V324-I342 HydrophobicContact CG2-CD1 3.69Å
325R86.9Confident85.7Confident55 Ų5556.3 Ų56.321%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-117.6152.8174.9-62-177.1179.7152.27.6109.7E323 A331 V332 E334E323-R325 HydrophobicContact CG-CG 4.32Å; E323-R325 IonicContact OE2-CZ 3.52Å; E323-R325 IonicContact OE2-NE 2.98Å; E323-R325 PolarHBondContact OE2-NE 3.31Å; E323-R325 IonicContact OE2-NH2 3.72Å; E323-R325 PolarHBondContact OE2-NH2 3.48Å; R325-A331 CarbonylContact O-C 3.55Å; R325-A331 WeakPolarHBondContact O-CA 3.44Å; R325-V332 HydrophobicContact CB-CG2 4.12Å; R325-V332 PolarHBondContact N-O 3.4Å; R325-V332 PolarHBondContact O-N 3.47Å; R325-E334 IonicContact NH1-OE2 3.23Å; R325-E334 PolarHBondContact NH1-OE2 2.86Å
326F88.7Confident85.6Confident41 Ų4163 Ų6318%0.1833%0.334CS..EExtended strand (participates in β ladder)trans-115.7122.7174.9-70.1-92.5000109.3V324 V330 A331 A381 R384V324-F326 HydrophobicContact CG1-CE2 3.92Å; V324-F326 HydrophobicContact CG1-CZ 4.26Å; F326-V330 CarbonylContact C-O 3.57Å; F326-V330 WeakPolarHBondContact CA-O 3.11Å; F326-A331 HydrophobicContact CD1-CB 3.94Å; F326-A331 HydrophobicContact CE1-CB 3.56Å; F326-A331 HydrophobicContact CZ-CB 4.09Å; F326-A381 HydrophobicContact CE1-CB 4.1Å; F326-A381 HydrophobicContact CZ-CB 4.14Å; F326-R384 HydrophobicContact CD2-CG 4.38Å; F326-R384 HydrophobicContact CE1-CB 3.98Å; F326-R384 HydrophobicContact CE1-CG 4.08Å; F326-R384 HydrophobicContact CE2-CB 4.36Å; F326-R384 HydrophobicContact CE2-CG 3.82Å; F326-R384 HydrophobicContact CZ-CB 3.69Å; F326-R384 HydrophobicContact CZ-CG 3.65Å
327I84.9Confident85.5Confident8 Ų858.3 Ų58.34%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-119.8112.7177.9-63.4174.7000106.1E329 V330 V332 L432 F435 M436 A439I327-E329 VanDerWaalsContact C-N 3.34Å; I327-E329 PolarHBondContact O-N 3.24Å; I327-V330 PolarHBondContact N-O 3.43Å; I327-V330 WeakPolarHBondContact O-CA 3.37Å; I327-V330 VanDerWaalsContact O-CB 3.27Å; I327-V330 WeakPolarHBondContact O-CB 3.42Å; I327-V330 PolarHBondContact O-N 2.95Å; I327-V332 HydrophobicContact CD1-CG2 3.77Å; I327-V332 HydrophobicContact CG1-CG2 4.17Å; I327-L432 HydrophobicContact CD1-CB 4.31Å; I327-L432 HydrophobicContact CG2-CD2 4.02Å; I327-F435 HydrophobicContact CD1-CB 3.99Å; I327-F435 HydrophobicContact CG1-CB 4.36Å; I327-F435 HydrophobicContact CG2-CB 3.42Å; I327-F435 VanDerWaalsContact CG2-CB 3.42Å; I327-F435 HydrophobicContact CG2-CD2 3.67Å; I327-F435 HydrophobicContact CG2-CG 3.77Å; I327-M436 HydrophobicContact CD1-CG 4.29Å; I327-A439 HydrophobicContact CG1-CB 4.17Å
328D79.9Confident85.8Confident124 Ų12459 Ų5966%0.66333%0.332SS*.THydrogen-bonded Turntrans46.455.4-178.9-56.6-20.7000112.7V330D328-V330 PolarHBondContact O-N 3.13Å
329E83Confident86.4Confident69 Ų6953 Ų5332%0.32230%0.3SS..THydrogen-bonded Turntrans64.4-16-171.9-58.8-175.9-157.600116.7I327 A331 R378 Y387 N390I327-E329 VanDerWaalsContact C-N 3.34Å; I327-E329 PolarHBondContact O-N 3.24Å; E329-A331 PolarHBondContact O-N 2.98Å; E329-R378 IonicContact OE2-CZ 2.64Å; E329-R378 IonicContact OE2-NH2 2.65Å; E329-R378 PolarHBondContact OE2-NH2 2.83Å; E329-Y387 HydrophobicContact CG-CE1 4.26Å; E329-N390 PolarHBondContact OE1-ND2 3.47Å
330V89.8Confident87.1Confident45 Ų4550.4 Ų50.427%0.27327%0.268SS..EExtended strand (participates in β ladder)trans-73122.5176.5-171.10000110.7F326 I327 D328 V332 R341 L432F326-V330 CarbonylContact C-O 3.57Å; F326-V330 WeakPolarHBondContact CA-O 3.11Å; I327-V330 PolarHBondContact N-O 3.43Å; I327-V330 WeakPolarHBondContact O-CA 3.37Å; I327-V330 VanDerWaalsContact O-CB 3.27Å; I327-V330 WeakPolarHBondContact O-CB 3.42Å; I327-V330 PolarHBondContact O-N 2.95Å; D328-V330 PolarHBondContact O-N 3.13Å; V330-V332 HydrophobicContact CG1-CG1 4.23Å; V330-R341 HydrophobicContact CG1-CG 3.87Å; V330-L432 HydrophobicContact CB-CD1 4.33Å; V330-L432 HydrophobicContact CG1-CD1 4Å
331A92.3Very high87.9Confident7 Ų749.3 Ų49.36%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-78.6131.4173.200000110.8R325 F326 E329 R341 I342 A381R325-A331 CarbonylContact O-C 3.55Å; R325-A331 WeakPolarHBondContact O-CA 3.44Å; F326-A331 HydrophobicContact CD1-CB 3.94Å; F326-A331 HydrophobicContact CE1-CB 3.56Å; F326-A331 HydrophobicContact CZ-CB 4.09Å; E329-A331 PolarHBondContact O-N 2.98Å; A331-R341 WeakPolarHBondContact O-CA 3.35Å; A331-I342 HydrophobicContact CB-CD1 4.41Å; A331-I342 HydrophobicContact CB-CG1 3.65Å; A331-I342 PolarHBondContact O-N 2.76Å; A331-A381 HydrophobicContact CB-CB 3.31Å
332V92.5Very high88.4Confident1 Ų147.2 Ų47.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-137.3156.6179.5-61.40000112.6R325 I327 V330 P339 H340 L432R325-V332 HydrophobicContact CB-CG2 4.12Å; R325-V332 PolarHBondContact N-O 3.4Å; R325-V332 PolarHBondContact O-N 3.47Å; I327-V332 HydrophobicContact CD1-CG2 3.77Å; I327-V332 HydrophobicContact CG1-CG2 4.17Å; V330-V332 HydrophobicContact CG1-CG1 4.23Å; V332-P339 HydrophobicContact CB-CB 4.47Å; V332-P339 HydrophobicContact CG1-CB 4.49Å; V332-H340 CarbonylContact C-O 3.59Å; V332-H340 WeakPolarHBondContact CA-O 3.3Å; V332-H340 WeakPolarHBondContact CB-O 3.13Å; V332-L432 HydrophobicContact CG1-CD1 3.6Å
333I91.4Very high88.6Confident1 Ų150.8 Ų50.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-123160.2163.460.7167.8000110.3Y322 V324 R335 P339 H340 I342 I424Y322-I333 HydrophobicContact CD1-CD1 4.25Å; Y322-I333 HydrophobicContact CD2-CD1 4.21Å; Y322-I333 HydrophobicContact CG-CB 4.45Å; Y322-I333 HydrophobicContact CG-CD1 3.95Å; V324-I333 HydrophobicContact CG2-CG2 4.25Å; I333-R335 HydrophobicContact CD1-CG 3.84Å; I333-R335 HydrophobicContact CG1-CG 4.2Å; I333-P339 CarbonylContact O-C 3.54Å; I333-P339 WeakPolarHBondContact O-CA 3.36Å; I333-H340 HydrophobicContact CG1-CB 4.39Å; I333-H340 PolarHBondContact N-O 3.27Å; I333-H340 PolarHBondContact O-N 2.99Å; I333-I342 HydrophobicContact CB-CG2 4.43Å; I333-I342 HydrophobicContact CD1-CG2 4.2Å; I333-I342 HydrophobicContact CG1-CG2 3.86Å; I333-I342 HydrophobicContact CG2-CD1 4.32Å; I333-I342 HydrophobicContact CG2-CG2 3.93Å; I333-I424 HydrophobicContact CD1-CD1 3.56Å; I333-I424 HydrophobicContact CD1-CG1 3.75Å; I333-I424 HydrophobicContact CD1-CG2 4.17Å; I333-I424 HydrophobicContact CG1-CG2 4.46Å
334E90.2Very high89Confident90 Ų9047 Ų4742%0.42124%0.235SC..EExtended strand (participates in β ladder)trans-98.5107.7176.4-169.3172.1152.500110.5Y322 R325 L338 M436Y322-E334 VanDerWaalsContact CD1-O 3.28Å; Y322-E334 WeakPolarHBondContact CD1-O 3.15Å; Y322-E334 WeakPolarHBondContact CE1-O 3.24Å; R325-E334 IonicContact NH1-OE2 3.23Å; R325-E334 PolarHBondContact NH1-OE2 2.86Å; E334-L338 CarbonylContact C-O 3.56Å; E334-L338 WeakPolarHBondContact CA-O 3.46Å; E334-M436 HydrophobicContact CB-CE 3.58Å; E334-M436 HydrophobicContact CG-CE 3.57Å
335R87.3Confident89.2Confident59 Ų5948.8 Ų48.822%0.22325%0.246CC..EExtended strand (participates in β ladder)trans-110.4128.9170.4-51.9-169.483.1171.56.4108.8D318 Y322 I333 G337 L338D318-R335 IonicContact OD2-CZ 3.19Å; D318-R335 IonicContact OD2-NH2 2.81Å; D318-R335 PolarHBondContact OD2-NH2 3.22Å; Y322-R335 HydrophobicContact CD1-CG 4.41Å; Y322-R335 HydrophobicContact CE1-CB 4.42Å; Y322-R335 HydrophobicContact CE1-CG 3.84Å; Y322-R335 PolarHBondContact OH-NE 3.41Å; Y322-R335 PolarHBondContact OH-NH2 3Å; I333-R335 HydrophobicContact CD1-CG 3.84Å; I333-R335 HydrophobicContact CG1-CG 4.2Å; R335-G337 PolarHBondContact O-N 3.26Å; R335-L338 PolarHBondContact N-O 2.65Å; R335-L338 PolarHBondContact O-N 2.83Å; R335-L338 VanDerWaalsContact O-O 3.13Å
336N83.4Confident89.4Confident166 Ų16648 Ų4889%0.88826%0.256SS*.THydrogen-bonded Turntrans53.428.4177.1-55.7-28.2000114.9
337G82.1Confident89.6Confident47 Ų4750.4 Ų50.449%0.48528%0.275SS..THydrogen-bonded Turntrans80.411.3-176.300000115.1R335R335-G337 PolarHBondContact O-N 3.26Å
338L86Confident90.1Very high44 Ų4454.4 Ų54.423%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-120.2147.7177.3-60.8176.1000111.1E334 R335 P428 Y430 I433E334-L338 CarbonylContact C-O 3.56Å; E334-L338 WeakPolarHBondContact CA-O 3.46Å; R335-L338 PolarHBondContact N-O 2.65Å; R335-L338 PolarHBondContact O-N 2.83Å; R335-L338 VanDerWaalsContact O-O 3.13Å; L338-P428 HydrophobicContact CB-CB 4.07Å; L338-P428 HydrophobicContact CD1-CB 4.04Å; L338-P428 HydrophobicContact CD1-CG 3.87Å; L338-Y430 HydrophobicContact CD1-CE1 4.4Å; L338-I433 HydrophobicContact CD2-CD1 3.84Å; L338-I433 HydrophobicContact CD2-CG1 4.45Å
339P90.9Very high90.9Very high0 Ų049.1 Ų49.10%027%0.273CS..EExtended strand (participates in β ladder)trans-77134.2173.730.3-29.6000109.7V332 I333 P428 A429 L432 I433 M436V332-P339 HydrophobicContact CB-CB 4.47Å; V332-P339 HydrophobicContact CG1-CB 4.49Å; I333-P339 CarbonylContact O-C 3.54Å; I333-P339 WeakPolarHBondContact O-CA 3.36Å; P339-P428 CarbonylContact O-C 3.53Å; P339-P428 WeakPolarHBondContact O-CA 3.48Å; P339-A429 HydrophobicContact CB-CB 4.46Å; P339-A429 HydrophobicContact CG-CB 4.32Å; P339-A429 VanDerWaalsContact CG-O 3.23Å; P339-A429 WeakPolarHBondContact CG-O 3.47Å; P339-A429 PolarHBondContact O-N 3.32Å; P339-L432 HydrophobicContact CB-CB 4.31Å; P339-L432 HydrophobicContact CG-CB 4.13Å; P339-I433 VanDerWaalsContact CD-CG1 3.46Å; P339-I433 HydrophobicContact CG-CG1 3.8Å; P339-M436 HydrophobicContact CB-CE 3.95Å; P339-M436 HydrophobicContact CB-CG 4.11Å; P339-M436 HydrophobicContact CB-SD 3.53Å; P339-M436 VanDerWaalsContact CB-SD 3.53Å; P339-M436 WeakPolarHBondContact CD-SD 2.98Å; P339-M436 HydrophobicContact CG-CG 4.3Å; P339-M436 HydrophobicContact CG-SD 3.69Å
340H93.6Very high91.5Very high21 Ų2148.8 Ų48.810%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-119.8136.9164.7-72.4-103.6000108.9V332 I333 I424 D425V332-H340 CarbonylContact C-O 3.59Å; V332-H340 WeakPolarHBondContact CA-O 3.3Å; V332-H340 WeakPolarHBondContact CB-O 3.13Å; I333-H340 HydrophobicContact CG1-CB 4.39Å; I333-H340 PolarHBondContact N-O 3.27Å; I333-H340 PolarHBondContact O-N 2.99Å; H340-I424 HydrophobicContact CB-CG2 3.46Å; H340-I424 VanDerWaalsContact CB-CG2 3.46Å; H340-D425 PolarHBondContact ND1-O 3.25Å
341R94.5Very high91.8Very high78 Ų7846.6 Ų46.629%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-63.2147.9173.4-68.5176.4164.475.212.3110V330 A331 I424 D425 A429 E431V330-R341 HydrophobicContact CG1-CG 3.87Å; A331-R341 WeakPolarHBondContact O-CA 3.35Å; R341-I424 WeakPolarHBondContact O-CA 3.42Å; R341-D425 HydrophobicContact CB-CB 3.75Å; R341-D425 PolarHBondContact O-N 2.95Å; R341-A429 HydrophobicContact CG-CB 4.23Å; R341-E431 IonicContact CZ-OE1 2.72Å; R341-E431 IonicContact NH1-OE1 2.9Å; R341-E431 PolarHBondContact NH1-OE1 3.35Å; R341-E431 IonicContact NH2-OE1 3.83Å; R341-E431 PolarHBondContact NH2-OE1 2.92Å
342I94Very high92Very high7 Ų747.6 Ų47.64%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-123.9144.7164.570.2169.6000110.8L315 V324 A331 I333 A381 P382 V422 K423 I424L315-I342 HydrophobicContact CD2-CD1 4.17Å; L315-I342 HydrophobicContact CD2-CG2 4.25Å; V324-I342 HydrophobicContact CB-CD1 4.34Å; V324-I342 HydrophobicContact CG1-CD1 3.74Å; V324-I342 HydrophobicContact CG2-CD1 3.69Å; A331-I342 HydrophobicContact CB-CD1 4.41Å; A331-I342 HydrophobicContact CB-CG1 3.65Å; A331-I342 PolarHBondContact O-N 2.76Å; I333-I342 HydrophobicContact CB-CG2 4.43Å; I333-I342 HydrophobicContact CD1-CG2 4.2Å; I333-I342 HydrophobicContact CG1-CG2 3.86Å; I333-I342 HydrophobicContact CG2-CD1 4.32Å; I333-I342 HydrophobicContact CG2-CG2 3.93Å; I342-A381 HydrophobicContact CG1-CB 4.43Å; I342-P382 HydrophobicContact CD1-CG 4.39Å; I342-V422 HydrophobicContact CB-CG1 4.14Å; I342-V422 HydrophobicContact CD1-CG1 4.32Å; I342-K423 VanDerWaalsContact CA-O 3.27Å; I342-K423 WeakPolarHBondContact CA-O 3.32Å; I342-I424 HydrophobicContact CG2-CG1 3.96Å
343Y93Very high92.1Very high101 Ų10147.9 Ų47.940%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-152.6155-17755.2-81.3000110.9V345 K423 D425Y343-V345 HydrophobicContact CD2-CG2 3.59Å; Y343-V345 HydrophobicContact CE2-CG2 3.47Å; Y343-V345 VanDerWaalsContact CE2-CG2 3.47Å; Y343-K423 HydrophobicContact CD2-CB 4.49Å; Y343-K423 HydrophobicContact CE1-CB 4.23Å; Y343-K423 HydrophobicContact CE2-CB 3.97Å; Y343-K423 PolarHBondContact N-O 3.32Å; Y343-K423 PolarHBondContact O-N 3.05Å; Y343-D425 HydrophobicContact CE1-CB 4.25Å
344F94.8Very high92.2Very high15 Ų1552 Ų527%0.06629%0.289CS..EExtended strand (participates in β ladder)trans-79147174.1-66.6-50.3000111.7F362 G380 A381 P382 E385 F397 P420 E421 V422F344-F362 HydrophobicContact CB-CB 4.34Å; F344-F362 HydrophobicContact CB-CD1 3.45Å; F344-F362 VanDerWaalsContact CB-CD1 3.45Å; F344-F362 HydrophobicContact CB-CE1 3.92Å; F344-F362 HydrophobicContact CB-CG 3.95Å; F344-F362 HydrophobicContact CD2-CD1 4.36Å; F344-F362 HydrophobicContact CD2-CE1 4.43Å; F344-F362 HydrophobicContact CG-CD1 4.3Å; F344-F362 HydrophobicContact CG-CE1 4.42Å; F344-F362 WeakPolarHBondContact O-CB 3.45Å; F344-G380 VanDerWaalsContact CD2-O 3.26Å; F344-G380 WeakPolarHBondContact CD2-O 3.26Å; F344-A381 VanDerWaalsContact CE2-CA 3.43Å; F344-A381 VanDerWaalsContact CZ-C 3.41Å; F344-P382 HydrophobicContact CE1-CG 3.86Å; F344-P382 HydrophobicContact CZ-CG 4.11Å; F344-E385 HydrophobicContact CE2-CB 4.4Å; F344-E385 HydrophobicContact CE2-CG 4.33Å; F344-E385 HydrophobicContact CZ-CG 4.14Å; F344-F397 HydrophobicContact CD2-CZ 4.42Å; F344-F397 HydrophobicContact CE2-CE2 4.01Å; F344-F397 HydrophobicContact CE2-CZ 4.25Å; F344-F397 HydrophobicContact CZ-CE2 4.11Å; F344-P420 HydrophobicContact CB-CB 4.2Å; F344-P420 HydrophobicContact CB-CG 3.94Å; F344-P420 HydrophobicContact CD1-CB 4.27Å; F344-P420 HydrophobicContact CD1-CG 3.46Å; F344-P420 VanDerWaalsContact CD1-CG 3.46Å; F344-P420 HydrophobicContact CD2-CG 4.3Å; F344-P420 HydrophobicContact CE1-CG 3.91Å; F344-P420 HydrophobicContact CG-CB 4.43Å; F344-P420 HydrophobicContact CG-CG 3.67Å; F344-E421 CarbonylContact C-O 3.55Å; F344-E421 WeakPolarHBondContact CA-O 3.49Å; F344-V422 HydrophobicContact CD1-CG2 3.79Å; F344-V422 HydrophobicContact CE1-CG2 3.71Å
345V93.2Very high92.3Very high45 Ų4550.5 Ų50.527%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-139.5141174.9-178.80000109.2Y343 E421 K423Y343-V345 HydrophobicContact CD2-CG2 3.59Å; Y343-V345 HydrophobicContact CE2-CG2 3.47Å; Y343-V345 VanDerWaalsContact CE2-CG2 3.47Å; V345-E421 PolarHBondContact N-O 2.98Å; V345-E421 WeakPolarHBondContact O-CB 3.47Å; V345-E421 PolarHBondContact O-N 3.3Å; V345-K423 HydrophobicContact CB-CD 4.26Å; V345-K423 HydrophobicContact CB-CG 4.24Å; V345-K423 HydrophobicContact CG1-CD 4.46Å; V345-K423 HydrophobicContact CG2-CB 4.15Å; V345-K423 HydrophobicContact CG2-CD 3.87Å; V345-K423 HydrophobicContact CG2-CG 3.79Å
346G92.2Very high92.6Very high40 Ų4052.7 Ų52.741%0.41231%0.312SS..SBendtrans164.1-176.9-179.200000111.8
347P93.7Very high93.2Very high91 Ų9148.2 Ų48.259%0.59129%0.292SS*.SBendtrans-64.6161.416830.5-35.3000110.9H349 F362P347-H349 PolarHBondContact O-CE1 2.73Å; P347-H349 PolarHBondContact O-ND1 3.47Å; P347-F362 WeakPolarHBondContact O-CE2 3.39Å
348P94.6Very high93.9Very high91 Ų9147.3 Ų47.359%0.59128%0.275SS*.  trans-56.1147.9171-24.234.9000112.3L360P348-L360 CarbonylContact C-O 3.54Å; P348-L360 VanDerWaalsContact CA-O 3.25Å; P348-L360 WeakPolarHBondContact CA-O 3.39Å; P348-L360 WeakPolarHBondContact CB-O 3.5Å
349H95.6Very high94.3Very high14 Ų1448.2 Ų48.27%0.06528%0.284CS..EExtended strand (participates in β ladder)trans-130.1143.8-178.5-79.581.4000110.7P347 L360 F362 F379 C416P347-H349 PolarHBondContact O-CE1 2.73Å; P347-H349 PolarHBondContact O-ND1 3.47Å; H349-L360 PolarHBondContact N-O 3.13Å; H349-L360 PolarHBondContact O-N 3.13Å; H349-F362 HydrophobicContact CB-CZ 4.48Å; H349-F362 AromaticContact CE1-CE2 3.95Å; H349-F362 AromaticContact ND1-CE2 3.36Å; H349-F362 WeakPolarHBondContact ND1-CE2 3.38Å; H349-F362 AromaticContact ND1-CZ 3.37Å; H349-F362 WeakPolarHBondContact ND1-CZ 3.34Å; H349-F379 HydrophobicContact CB-CE2 4.08Å; H349-F379 HydrophobicContact CB-CZ 3.87Å; H349-C416 PolarHBondContact CD2-O 2.79Å
350D96.4Very high94.6Very high61 Ų6148.4 Ų48.433%0.32629%0.285SS..EExtended strand (participates in β ladder)trans-77.4127.7175.5-69.8-28000111.2V352 P357 P359 C416D350-V352 HydrophobicContact CB-CG2 4.44Å; D350-P357 HydrophobicContact CB-CB 4.24Å; D350-P359 WeakPolarHBondContact OD1-CA 3.26Å; D350-P359 WeakPolarHBondContact OD1-CB 3.41Å; D350-P359 WeakPolarHBondContact OD1-CD 3.2Å; D350-P359 WeakPolarHBondContact OD1-CG 3.46Å; D350-C416 HydrophobicContact CB-CB 4.12Å; D350-C416 WeakPolarHBondContact O-CB 3.37Å; D350-C416 PolarHBondContact O-N 2.83Å
351V96.6Very high94.6Very high0 Ų048.7 Ų48.70%029%0.29CS..EExtended strand (participates in β ladder)trans-93.7107.2161.1-175.90000106.8I353 H358 L360 I377 F379 L386 I413 L415V351-I353 HydrophobicContact CG1-CD1 4.33Å; V351-I353 HydrophobicContact CG1-CG1 4.12Å; V351-H358 PolarHBondContact N-O 2.83Å; V351-H358 WeakPolarHBondContact O-CB 3.43Å; V351-H358 PolarHBondContact O-CD2 3.02Å; V351-H358 PolarHBondContact O-N 3.5Å; V351-L360 HydrophobicContact CG2-CB 4.15Å; V351-L360 HydrophobicContact CG2-CD2 3.65Å; V351-I377 HydrophobicContact CB-CD1 4.22Å; V351-I377 HydrophobicContact CG1-CD1 4.48Å; V351-I377 HydrophobicContact CG2-CD1 4.4Å; V351-F379 HydrophobicContact CG2-CE1 3.88Å; V351-F379 HydrophobicContact CG2-CZ 3.74Å; V351-L386 HydrophobicContact CG1-CD1 4.25Å; V351-L386 HydrophobicContact CG1-CD2 3.95Å; V351-L386 HydrophobicContact CG2-CD1 4.05Å; V351-I413 HydrophobicContact CG1-CG2 3.99Å; V351-L415 HydrophobicContact CB-CD2 4.45Å; V351-L415 HydrophobicContact CG1-CD2 4.09Å; V351-L415 HydrophobicContact CG2-CD2 3.97Å
352V96.4Very high94.6Very high28 Ų2846.5 Ų46.517%0.1728%0.282CS..EExtended strand (participates in β ladder)trans-88.1121.3179.2177.80000109.1D350 I356 P357 I413 Q414 C416D350-V352 HydrophobicContact CB-CG2 4.44Å; V352-I356 WeakPolarHBondContact CA-O 3.38Å; V352-P357 HydrophobicContact CG2-CB 4.23Å; V352-I413 CarbonylContact O-C 3.59Å; V352-I413 WeakPolarHBondContact O-CA 3.45Å; V352-Q414 HydrophobicContact CB-CB 4.44Å; V352-Q414 PolarHBondContact N-O 3.34Å; V352-Q414 PolarHBondContact O-N 2.72Å; V352-C416 VanDerWaalsContact CG2-SG 3.6Å
353I94.5Very high94.3Very high7 Ų750.7 Ų50.74%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-119.6118.1177.5-56.9178000107.7V351 G355 I356 I368 I370 H411 K412 I413V351-I353 HydrophobicContact CG1-CD1 4.33Å; V351-I353 HydrophobicContact CG1-CG1 4.12Å; I353-G355 PolarHBondContact O-N 2.97Å; I353-I356 PolarHBondContact N-O 3.03Å; I353-I356 WeakPolarHBondContact O-CB 3.46Å; I353-I356 PolarHBondContact O-N 3.07Å; I353-I368 HydrophobicContact CD1-CD1 3.39Å; I353-I370 HydrophobicContact CD1-CD1 4.34Å; I353-H411 HydrophobicContact CG2-CB 4.44Å; I353-K412 WeakPolarHBondContact CA-O 3.46Å; I353-I413 HydrophobicContact CG1-CG1 4.27Å; I353-I413 HydrophobicContact CG1-CG2 4.32Å; I353-I413 HydrophobicContact CG2-CG1 4.47Å
354D93.4Very high94.2Very high88 Ų8850.3 Ų50.347%0.47132%0.317SS..THydrogen-bonded Turntrans51.825.6-176.5-58.2-40.6000115.1H411 K412D354-H411 WeakPolarHBondContact OD1-CA 3.33Å; D354-H411 IonicContact OD2-CE1 3.74Å; D354-H411 IonicContact OD2-CG 3.5Å; D354-H411 IonicContact OD2-ND1 3.12Å; D354-H411 PolarHBondContact OD2-ND1 2.86Å; D354-K412 PolarHBondContact N-O 2.92Å; D354-K412 PolarHBondContact OD1-N 3.23Å
355G92.5Very high94.2Very high58 Ų5853.6 Ų53.660%0.59834%0.34SS*.THydrogen-bonded Turntrans95.5-7.1-177.700000114.7I353I353-G355 PolarHBondContact O-N 2.97Å
356I94.6Very high94.2Very high105 Ų10556.5 Ų56.554%0.53835%0.346SS..EExtended strand (participates in β ladder)trans-87.5120.2174.3-55.3179.1000109.1V352 I353V352-I356 WeakPolarHBondContact CA-O 3.38Å; I353-I356 PolarHBondContact N-O 3.03Å; I353-I356 WeakPolarHBondContact O-CB 3.46Å; I353-I356 PolarHBondContact O-N 3.07Å
357P95.7Very high94.3Very high71 Ų7161.4 Ų61.446%0.46136%0.358SS..EExtended strand (participates in β ladder)trans-79.3130176.830.6-33000111.8D350 V352 P359D350-P357 HydrophobicContact CB-CB 4.24Å; V352-P357 HydrophobicContact CG2-CB 4.23Å; P357-P359 WeakPolarHBondContact O-CD 3.18Å
358H95.6Very high94.3Very high28 Ų2857.6 Ų57.613%0.1333%0.333CS..EExtended strand (participates in β ladder)trans-11596.4171.2-56.4-72.3000110.3V351 L360 I368 I377V351-H358 PolarHBondContact N-O 2.83Å; V351-H358 WeakPolarHBondContact O-CB 3.43Å; V351-H358 PolarHBondContact O-CD2 3.02Å; V351-H358 PolarHBondContact O-N 3.5Å; H358-L360 PolarHBondContact O-N 3.26Å; H358-I368 HydrophobicContact CB-CG2 4.28Å; H358-I377 HydrophobicContact CB-CD1 4.05Å
359P95.4Very high94.1Very high64 Ų6459 Ų5942%0.41633%0.334SS..EExtended strand (participates in β ladder)trans-54.5128.1172.5-23.825.3000112.1D350 P357 R366D350-P359 WeakPolarHBondContact OD1-CA 3.26Å; D350-P359 WeakPolarHBondContact OD1-CB 3.41Å; D350-P359 WeakPolarHBondContact OD1-CD 3.2Å; D350-P359 WeakPolarHBondContact OD1-CG 3.46Å; P357-P359 WeakPolarHBondContact O-CD 3.18Å; P359-R366 VanDerWaalsContact O-CD 3.28Å; P359-R366 WeakPolarHBondContact O-CD 3.42Å; P359-R366 PolarHBondContact O-NH1 3.21Å
360L96Very high93.8Very high3 Ų358.8 Ų58.82%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-135.9135.7-175.2-174.661.9000110.1P348 H349 V351 H358 D364 R366 I377 F379 L386P348-L360 CarbonylContact C-O 3.54Å; P348-L360 VanDerWaalsContact CA-O 3.25Å; P348-L360 WeakPolarHBondContact CA-O 3.39Å; P348-L360 WeakPolarHBondContact CB-O 3.5Å; H349-L360 PolarHBondContact N-O 3.13Å; H349-L360 PolarHBondContact O-N 3.13Å; V351-L360 HydrophobicContact CG2-CB 4.15Å; V351-L360 HydrophobicContact CG2-CD2 3.65Å; H358-L360 PolarHBondContact O-N 3.26Å; L360-D364 WeakPolarHBondContact CD1-O 3.48Å; L360-R366 HydrophobicContact CD1-CB 3.66Å; L360-I377 HydrophobicContact CD1-CG1 4.44Å; L360-I377 HydrophobicContact CD2-CD1 4.22Å; L360-I377 HydrophobicContact CD2-CG1 4.35Å; L360-F379 HydrophobicContact CB-CD2 4.3Å; L360-F379 HydrophobicContact CB-CE2 3.68Å; L360-F379 HydrophobicContact CB-CZ 4.17Å; L360-F379 HydrophobicContact CD2-CD1 4.26Å; L360-F379 HydrophobicContact CD2-CD2 3.72Å; L360-F379 HydrophobicContact CD2-CE1 4.22Å; L360-F379 HydrophobicContact CD2-CE2 3.7Å; L360-F379 HydrophobicContact CD2-CG 4.01Å; L360-F379 HydrophobicContact CD2-CZ 3.95Å; L360-F379 HydrophobicContact CG-CD2 3.75Å; L360-F379 HydrophobicContact CG-CE2 3.66Å; L360-F379 HydrophobicContact CG-CZ 4.32Å; L360-L386 HydrophobicContact CD2-CD1 4.35Å
361S94.8Very high93.3Very high28 Ų2859.6 Ų59.620%0.19634%0.337CS..  trans-86.9158.817162.60000110.3S363 D364 F379S361-S363 PolarHBondContact O-N 3.14Å; S361-S363 PolarHBondContact OG-OG 3.22Å; S361-D364 VanDerWaalsContact OG-CB 3.25Å; S361-D364 WeakPolarHBondContact OG-CB 3.46Å; S361-D364 PolarHBondContact OG-N 3.03Å; S361-D364 PolarHBondContact OG-OD2 3.18Å; S361-F379 WeakPolarHBondContact O-CD2 3.31Å
362F93.6Very high92.6Very high31 Ų3163 Ų6314%0.13637%0.373CS..SBendtrans-74.1-14.8173.6-67.4-66.6000113.6F344 P347 H349 F379 F397 P420F344-F362 HydrophobicContact CB-CB 4.34Å; F344-F362 HydrophobicContact CB-CD1 3.45Å; F344-F362 VanDerWaalsContact CB-CD1 3.45Å; F344-F362 HydrophobicContact CB-CE1 3.92Å; F344-F362 HydrophobicContact CB-CG 3.95Å; F344-F362 HydrophobicContact CD2-CD1 4.36Å; F344-F362 HydrophobicContact CD2-CE1 4.43Å; F344-F362 HydrophobicContact CG-CD1 4.3Å; F344-F362 HydrophobicContact CG-CE1 4.42Å; F344-F362 WeakPolarHBondContact O-CB 3.45Å; P347-F362 WeakPolarHBondContact O-CE2 3.39Å; H349-F362 HydrophobicContact CB-CZ 4.48Å; H349-F362 AromaticContact CE1-CE2 3.95Å; H349-F362 AromaticContact ND1-CE2 3.36Å; H349-F362 WeakPolarHBondContact ND1-CE2 3.38Å; H349-F362 AromaticContact ND1-CZ 3.37Å; H349-F362 WeakPolarHBondContact ND1-CZ 3.34Å; F362-F379 HydrophobicContact CD1-CB 3.74Å; F362-F379 AromaticContact CD1-CD2 3.37Å; F362-F379 HydrophobicContact CD1-CD2 3.37Å; F362-F379 HydrophobicContact CD1-CE2 4.1Å; F362-F379 AromaticContact CD1-CG 3.66Å; F362-F379 HydrophobicContact CD1-CG 3.66Å; F362-F379 HydrophobicContact CE1-CB 4.2Å; F362-F379 HydrophobicContact CE1-CD1 4.23Å; F362-F379 AromaticContact CE1-CD2 3.48Å; F362-F379 HydrophobicContact CE1-CD2 3.48Å; F362-F379 VanDerWaalsContact CE1-CD2 3.48Å; F362-F379 AromaticContact CE1-CE2 3.82Å; F362-F379 HydrophobicContact CE1-CE2 3.82Å; F362-F379 AromaticContact CE1-CG 3.72Å; F362-F379 HydrophobicContact CE1-CG 3.72Å; F362-F379 HydrophobicContact CE1-CZ 4.35Å; F362-F379 HydrophobicContact CG-CD2 4.17Å; F362-F379 HydrophobicContact CZ-CD2 4.38Å; F362-F379 HydrophobicContact CZ-CE2 4.33Å; F362-F397 AromaticContact CE1-CE1 3.75Å; F362-F397 HydrophobicContact CE1-CE1 3.75Å; F362-F397 AromaticContact CE1-CZ 3.8Å; F362-F397 HydrophobicContact CE1-CZ 3.8Å; F362-F397 AromaticContact CZ-CE1 3.96Å; F362-F397 HydrophobicContact CZ-CE1 3.96Å; F362-F397 HydrophobicContact CZ-CZ 4.38Å; F362-P420 HydrophobicContact CE1-CB 3.96Å; F362-P420 HydrophobicContact CE1-CG 3.78Å; F362-P420 HydrophobicContact CE2-CB 3.8Å; F362-P420 HydrophobicContact CZ-CB 3.46Å; F362-P420 VanDerWaalsContact CZ-CB 3.46Å; F362-P420 HydrophobicContact CZ-CG 3.7Å
363S88.6Confident92.1Very high95 Ų9565.9 Ų65.966%0.66438%0.384SS*.SBendtrans-90.6-38179.436.30000114S361S361-S363 PolarHBondContact O-N 3.14Å; S361-S363 PolarHBondContact OG-OG 3.22Å
364D90.6Very high91.7Very high93 Ų9369 Ų6950%0.49741%0.407SS..  trans-119.7129.2-158.5-44.3-80.3000112.3L360 S361L360-D364 WeakPolarHBondContact CD1-O 3.48Å; S361-D364 VanDerWaalsContact OG-CB 3.25Å; S361-D364 WeakPolarHBondContact OG-CB 3.46Å; S361-D364 PolarHBondContact OG-N 3.03Å; S361-D364 PolarHBondContact OG-OD2 3.18Å
365P93.9Very high91.5Very high85 Ų8565.2 Ų65.255%0.55239%0.386SS*.  trans-70138.617229.2-33.4000111.2T376 I377 R378P365-T376 HydrophobicContact CB-CG2 3.57Å; P365-I377 CarbonylContact C-O 3.56Å; P365-I377 WeakPolarHBondContact CA-O 3.41Å; P365-R378 HydrophobicContact CB-CB 4.09Å
366R94.5Very high91.5Very high105 Ų10565 Ų6540%0.39637%0.373SS..EExtended strand (participates in β ladder)trans-113131.9176.9-176.2173178.8164.12.1110.8P359 L360 I368 I377P359-R366 VanDerWaalsContact O-CD 3.28Å; P359-R366 WeakPolarHBondContact O-CD 3.42Å; P359-R366 PolarHBondContact O-NH1 3.21Å; L360-R366 HydrophobicContact CD1-CB 3.66Å; R366-I368 HydrophobicContact CG-CG2 4.32Å; R366-I377 HydrophobicContact CB-CG1 4.19Å; R366-I377 PolarHBondContact N-O 2.9Å; R366-I377 WeakPolarHBondContact O-CG1 3.39Å; R366-I377 PolarHBondContact O-N 3.31Å
367Q93.8Very high91.6Very high143 Ų14360 Ų6067%0.66835%0.348SS*.EExtended strand (participates in β ladder)trans-79.8137.6167.2-67.6-175.333.900110.6S374 H375Q367-S374 PolarHBondContact OE1-OG 3.2Å; Q367-H375 WeakPolarHBondContact CA-O 3.46Å
368I93.1Very high91.5Very high11 Ų1159.9 Ų59.96%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-137168.3175.958.9161.6000109.4I353 H358 R366 I370 S374 H375 I377I353-I368 HydrophobicContact CD1-CD1 3.39Å; H358-I368 HydrophobicContact CB-CG2 4.28Å; R366-I368 HydrophobicContact CG-CG2 4.32Å; I368-I370 HydrophobicContact CD1-CD1 3.87Å; I368-I370 HydrophobicContact CD1-CG1 3.88Å; I368-I370 HydrophobicContact CG1-CG1 4.42Å; I368-S374 WeakPolarHBondContact O-CA 3.41Å; I368-H375 WeakPolarHBondContact CG1-O 3.44Å; I368-H375 PolarHBondContact N-O 3.49Å; I368-H375 PolarHBondContact O-N 3.22Å; I368-I377 HydrophobicContact CD1-CD1 4.09Å; I368-I377 HydrophobicContact CD1-CG1 4.27Å; I368-I377 HydrophobicContact CD1-CG2 3.6Å; I368-I377 HydrophobicContact CG1-CD1 4.49Å; I368-I377 HydrophobicContact CG1-CG1 4.28Å; I368-I377 HydrophobicContact CG1-CG2 4.02Å; I368-I377 HydrophobicContact CG2-CD1 3.99Å; I368-I377 HydrophobicContact CG2-CG1 4.17Å
369I91Very high91.5Very high122 Ų12259 Ų5963%0.62633%0.334SS*.EExtended strand (participates in β ladder)trans-111.1127175.9-60.9177.1000109.1Q373I369-Q373 CarbonylContact C-O 3.6Å; I369-Q373 VanDerWaalsContact CA-O 3.29Å; I369-Q373 WeakPolarHBondContact CA-O 3.4Å
370I88.1Confident91.4Very high8 Ų856.8 Ų56.84%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-128.1126.7171.3-47.1175.8000106.7I353 I368 G372 Q373 H375 V388 V406 H411I353-I370 HydrophobicContact CD1-CD1 4.34Å; I368-I370 HydrophobicContact CD1-CD1 3.87Å; I368-I370 HydrophobicContact CD1-CG1 3.88Å; I368-I370 HydrophobicContact CG1-CG1 4.42Å; I370-G372 PolarHBondContact O-N 3.44Å; I370-Q373 PolarHBondContact N-O 3.27Å; I370-Q373 PolarHBondContact O-N 2.94Å; I370-H375 HydrophobicContact CD1-CB 4.44Å; I370-H375 PolarHBondContact O-NE2 3.11Å; I370-V388 HydrophobicContact CD1-CG1 4.47Å; I370-V406 HydrophobicContact CB-CG1 4.49Å; I370-V406 HydrophobicContact CD1-CG1 4.43Å; I370-V406 HydrophobicContact CD1-CG2 4.43Å; I370-V406 HydrophobicContact CG2-CB 4.3Å; I370-V406 HydrophobicContact CG2-CG1 4.22Å; I370-H411 WeakPolarHBondContact CG2-CE1 3.48Å; I370-H411 VanDerWaalsContact CG2-NE2 3.34Å; I370-H411 WeakPolarHBondContact CG2-NE2 3.46Å
371D86.2Confident91.2Very high78 Ų7856.7 Ų56.742%0.41732%0.322SS..THydrogen-bonded Turntrans49.439.8-174-60.6-19.1000114.7Q373 V409 H411D371-Q373 PolarHBondContact O-N 3.11Å; D371-Q373 VanDerWaalsContact O-N 3.15Å; D371-V409 VanDerWaalsContact OD2-CB 3.26Å; D371-V409 WeakPolarHBondContact OD2-CB 3.37Å; D371-V409 WeakPolarHBondContact OD2-CG2 3.45Å; D371-H411 IonicContact OD1-CE1 2.76Å; D371-H411 PolarHBondContact OD1-CE1 3.4Å; D371-H411 IonicContact OD1-NE2 3.48Å; D371-H411 IonicContact OD2-CE1 3.43Å; D371-H411 IonicContact OD2-NE2 2.63Å; D371-H411 PolarHBondContact OD2-NE2 2.89Å
372G83.2Confident91Very high72 Ų7256.5 Ų56.574%0.74232%0.32SS*.THydrogen-bonded Turntrans72.4-1.3-178.300000115I370I370-G372 PolarHBondContact O-N 3.44Å
373Q84Confident90.5Very high89 Ų8955.8 Ų55.842%0.41632%0.319SS..EExtended strand (participates in β ladder)trans-98.7144.9174.2-62-173.31200111I369 I370 D371 H375 N407I369-Q373 CarbonylContact C-O 3.6Å; I369-Q373 VanDerWaalsContact CA-O 3.29Å; I369-Q373 WeakPolarHBondContact CA-O 3.4Å; I370-Q373 PolarHBondContact N-O 3.27Å; I370-Q373 PolarHBondContact O-N 2.94Å; D371-Q373 PolarHBondContact O-N 3.11Å; D371-Q373 VanDerWaalsContact O-N 3.15Å; Q373-H375 PolarHBondContact O-CD2 3.07Å; Q373-N407 PolarHBondContact OE1-ND2 3.45Å; Q373-N407 PolarHBondContact OE1-OD1 3.38Å
374S87.7Confident90.6Very high72 Ų7255.2 Ų55.250%0.50330%0.302SS..EExtended strand (participates in β ladder)trans-80.1127.6174-173.70000110.6Q367 I368Q367-S374 PolarHBondContact OE1-OG 3.2Å; I368-S374 WeakPolarHBondContact O-CA 3.41Å
375H88.2Confident90.8Very high8 Ų851.8 Ų51.84%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-125.6142.9174.6-57.7-99.7000109.7T296 Q367 I368 I370 Q373 V388 V406T296-H375 VanDerWaalsContact CG2-CE1 3.49Å; T296-H375 WeakPolarHBondContact CG2-CE1 3.48Å; Q367-H375 WeakPolarHBondContact CA-O 3.46Å; I368-H375 WeakPolarHBondContact CG1-O 3.44Å; I368-H375 PolarHBondContact N-O 3.49Å; I368-H375 PolarHBondContact O-N 3.22Å; I370-H375 HydrophobicContact CD1-CB 4.44Å; I370-H375 PolarHBondContact O-NE2 3.11Å; Q373-H375 PolarHBondContact O-CD2 3.07Å; H375-V388 HydrophobicContact CB-CG1 4.28Å; H375-V406 WeakPolarHBondContact CE1-CG1 3.39Å
376T93.6Very high90.8Very high54 Ų5447.7 Ų47.733%0.33126%0.257SS..EExtended strand (participates in β ladder)trans-92.3121.1173.3-57.80000109.6P365 G389P365-T376 HydrophobicContact CB-CG2 3.57Å; T376-G389 PolarHBondContact O-N 3.31Å
377I95.1Very high90.8Very high0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-101.3143168.758.5168.2000111.1V351 H358 L360 P365 R366 I368 L386 Y387 V388V351-I377 HydrophobicContact CB-CD1 4.22Å; V351-I377 HydrophobicContact CG1-CD1 4.48Å; V351-I377 HydrophobicContact CG2-CD1 4.4Å; H358-I377 HydrophobicContact CB-CD1 4.05Å; L360-I377 HydrophobicContact CD1-CG1 4.44Å; L360-I377 HydrophobicContact CD2-CD1 4.22Å; L360-I377 HydrophobicContact CD2-CG1 4.35Å; P365-I377 CarbonylContact C-O 3.56Å; P365-I377 WeakPolarHBondContact CA-O 3.41Å; R366-I377 HydrophobicContact CB-CG1 4.19Å; R366-I377 PolarHBondContact N-O 2.9Å; R366-I377 WeakPolarHBondContact O-CG1 3.39Å; R366-I377 PolarHBondContact O-N 3.31Å; I368-I377 HydrophobicContact CD1-CD1 4.09Å; I368-I377 HydrophobicContact CD1-CG1 4.27Å; I368-I377 HydrophobicContact CD1-CG2 3.6Å; I368-I377 HydrophobicContact CG1-CD1 4.49Å; I368-I377 HydrophobicContact CG1-CG1 4.28Å; I368-I377 HydrophobicContact CG1-CG2 4.02Å; I368-I377 HydrophobicContact CG2-CD1 3.99Å; I368-I377 HydrophobicContact CG2-CG1 4.17Å; I377-L386 HydrophobicContact CB-CD1 4.48Å; I377-Y387 WeakPolarHBondContact CA-O 3.4Å; I377-V388 HydrophobicContact CG2-CG2 4.11Å
378R95.4Very high90.7Very high68 Ų6836 Ų3626%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-149.8149.6172.563.7179-170.182.4-8.7110.5E329 P365 Y387E329-R378 IonicContact OE2-CZ 2.64Å; E329-R378 IonicContact OE2-NH2 2.65Å; E329-R378 PolarHBondContact OE2-NH2 2.83Å; P365-R378 HydrophobicContact CB-CB 4.09Å; R378-Y387 HydrophobicContact CG-CG 4.41Å; R378-Y387 PolarHBondContact N-O 3.33Å; R378-Y387 PolarHBondContact O-N 3.31Å
379F95.5Very high90.4Very high11 Ų1136.9 Ų36.95%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-69.4159.1164.9-69.3-57.9000110.7H349 V351 L360 S361 F362 E385 F397 L415H349-F379 HydrophobicContact CB-CE2 4.08Å; H349-F379 HydrophobicContact CB-CZ 3.87Å; V351-F379 HydrophobicContact CG2-CE1 3.88Å; V351-F379 HydrophobicContact CG2-CZ 3.74Å; L360-F379 HydrophobicContact CB-CD2 4.3Å; L360-F379 HydrophobicContact CB-CE2 3.68Å; L360-F379 HydrophobicContact CB-CZ 4.17Å; L360-F379 HydrophobicContact CD2-CD1 4.26Å; L360-F379 HydrophobicContact CD2-CD2 3.72Å; L360-F379 HydrophobicContact CD2-CE1 4.22Å; L360-F379 HydrophobicContact CD2-CE2 3.7Å; L360-F379 HydrophobicContact CD2-CG 4.01Å; L360-F379 HydrophobicContact CD2-CZ 3.95Å; L360-F379 HydrophobicContact CG-CD2 3.75Å; L360-F379 HydrophobicContact CG-CE2 3.66Å; L360-F379 HydrophobicContact CG-CZ 4.32Å; S361-F379 WeakPolarHBondContact O-CD2 3.31Å; F362-F379 HydrophobicContact CD1-CB 3.74Å; F362-F379 AromaticContact CD1-CD2 3.37Å; F362-F379 HydrophobicContact CD1-CD2 3.37Å; F362-F379 HydrophobicContact CD1-CE2 4.1Å; F362-F379 AromaticContact CD1-CG 3.66Å; F362-F379 HydrophobicContact CD1-CG 3.66Å; F362-F379 HydrophobicContact CE1-CB 4.2Å; F362-F379 HydrophobicContact CE1-CD1 4.23Å; F362-F379 AromaticContact CE1-CD2 3.48Å; F362-F379 HydrophobicContact CE1-CD2 3.48Å; F362-F379 VanDerWaalsContact CE1-CD2 3.48Å; F362-F379 AromaticContact CE1-CE2 3.82Å; F362-F379 HydrophobicContact CE1-CE2 3.82Å; F362-F379 AromaticContact CE1-CG 3.72Å; F362-F379 HydrophobicContact CE1-CG 3.72Å; F362-F379 HydrophobicContact CE1-CZ 4.35Å; F362-F379 HydrophobicContact CG-CD2 4.17Å; F362-F379 HydrophobicContact CZ-CD2 4.38Å; F362-F379 HydrophobicContact CZ-CE2 4.33Å; F379-E385 WeakPolarHBondContact CA-O 3.43Å; F379-F397 AromaticContact CD1-CE1 3.9Å; F379-F397 HydrophobicContact CD1-CE1 3.9Å; F379-F397 AromaticContact CD1-CZ 3.72Å; F379-F397 HydrophobicContact CD1-CZ 3.72Å; F379-F397 AromaticContact CE1-CE1 3.46Å; F379-F397 HydrophobicContact CE1-CE1 3.46Å; F379-F397 VanDerWaalsContact CE1-CE1 3.46Å; F379-F397 AromaticContact CE1-CZ 3.76Å; F379-F397 HydrophobicContact CE1-CZ 3.76Å; F379-F397 HydrophobicContact CG-CZ 4.47Å; F379-F397 AromaticContact CZ-CE1 3.87Å; F379-F397 HydrophobicContact CZ-CE1 3.87Å; F379-L415 HydrophobicContact CE1-CD1 4.32Å; F379-L415 HydrophobicContact CE1-CD2 3.99Å
380G92.9Very high90.1Very high16 Ų1637 Ų3717%0.16522%0.22CC..EExtended strand (participates in β ladder)trans-121.8-114.7179.200000112.3F344 R384 E385F344-G380 VanDerWaalsContact CD2-O 3.26Å; F344-G380 WeakPolarHBondContact CD2-O 3.26Å; G380-R384 WeakPolarHBondContact CA-O 3.39Å; G380-E385 PolarHBondContact N-O 3.48Å
381A91.7Very high90.1Very high2 Ų239.9 Ų39.92%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-154.1171.8-174.600000109.6F326 A331 I342 F344 S383 R384 E385F326-A381 HydrophobicContact CE1-CB 4.1Å; F326-A381 HydrophobicContact CZ-CB 4.14Å; A331-A381 HydrophobicContact CB-CB 3.31Å; I342-A381 HydrophobicContact CG1-CB 4.43Å; F344-A381 VanDerWaalsContact CE2-CA 3.43Å; F344-A381 VanDerWaalsContact CZ-C 3.41Å; A381-S383 PolarHBondContact O-N 3.06Å; A381-R384 PolarHBondContact N-O 3.45Å; A381-R384 VanDerWaalsContact N-O 3.11Å; A381-R384 CarbonylContact O-C 3.32Å; A381-R384 WeakPolarHBondContact O-CA 3.15Å; A381-R384 PolarHBondContact O-N 2.64Å; A381-R384 VanDerWaalsContact O-O 3.05Å; A381-E385 PolarHBondContact O-N 3.16Å
382P89.5Confident90.3Very high24 Ų2438.1 Ų38.116%0.15623%0.225CC..THydrogen-bonded Turntrans-51.3134.6180-29.436.5000113.6L315 I342 F344 R384 V422L315-P382 HydrophobicContact CD1-CG 4.48Å; I342-P382 HydrophobicContact CD1-CG 4.39Å; F344-P382 HydrophobicContact CE1-CG 3.86Å; F344-P382 HydrophobicContact CZ-CG 4.11Å; P382-R384 VanDerWaalsContact C-N 3.28Å; P382-R384 PolarHBondContact O-N 3.43Å; P382-V422 HydrophobicContact CG-CG1 4.36Å; P382-V422 HydrophobicContact CG-CG2 3.74Å
383S84.5Confident90.6Very high16 Ų1634.8 Ų34.811%0.11219%0.191CC..THydrogen-bonded Turntrans72.8-2.3-171.5-47.30000117N313 A381 E385N313-S383 PolarHBondContact OD1-OG 3.43Å; A381-S383 PolarHBondContact O-N 3.06Å; S383-E385 VanDerWaalsContact CA-OE1 3.27Å; S383-E385 WeakPolarHBondContact CA-OE1 3.43Å; S383-E385 PolarHBondContact N-OE1 3.37Å
384R90.7Very high90.9Very high82 Ų8234.2 Ų34.231%0.30918%0.184SC..EExtended strand (participates in β ladder)trans-146.466169.4-63.3-174.3-179.2-1761.4108.9F326 G380 A381 P382 L386 Y387 P392 L393F326-R384 HydrophobicContact CD2-CG 4.38Å; F326-R384 HydrophobicContact CE1-CB 3.98Å; F326-R384 HydrophobicContact CE1-CG 4.08Å; F326-R384 HydrophobicContact CE2-CB 4.36Å; F326-R384 HydrophobicContact CE2-CG 3.82Å; F326-R384 HydrophobicContact CZ-CB 3.69Å; F326-R384 HydrophobicContact CZ-CG 3.65Å; G380-R384 WeakPolarHBondContact CA-O 3.39Å; A381-R384 PolarHBondContact N-O 3.45Å; A381-R384 VanDerWaalsContact N-O 3.11Å; A381-R384 CarbonylContact O-C 3.32Å; A381-R384 WeakPolarHBondContact O-CA 3.15Å; A381-R384 PolarHBondContact O-N 2.64Å; A381-R384 VanDerWaalsContact O-O 3.05Å; P382-R384 VanDerWaalsContact C-N 3.28Å; P382-R384 PolarHBondContact O-N 3.43Å; R384-L386 PolarHBondContact O-N 2.98Å; R384-Y387 HydrophobicContact CB-CE2 4.01Å; R384-Y387 VanDerWaalsContact CD-OH 3.24Å; R384-Y387 WeakPolarHBondContact CD-OH 3.32Å; R384-Y387 PolarHBondContact NH1-OH 3.18Å; R384-P392 HydrophobicContact CB-CB 4.07Å; R384-P392 HydrophobicContact CG-CB 3.89Å; R384-L393 CarbonylContact C-O 3.58Å
385E93.9Very high91Very high21 Ų2131.1 Ų31.110%0.09816%0.163CC..EExtended strand (participates in β ladder)trans-69.9-33.2-164.2-66.977.5-163.300113.5F344 F379 G380 A381 S383 L393 R394 A395 F397 L415F344-E385 HydrophobicContact CE2-CB 4.4Å; F344-E385 HydrophobicContact CE2-CG 4.33Å; F344-E385 HydrophobicContact CZ-CG 4.14Å; F379-E385 WeakPolarHBondContact CA-O 3.43Å; G380-E385 PolarHBondContact N-O 3.48Å; A381-E385 PolarHBondContact O-N 3.16Å; S383-E385 VanDerWaalsContact CA-OE1 3.27Å; S383-E385 WeakPolarHBondContact CA-OE1 3.43Å; S383-E385 PolarHBondContact N-OE1 3.37Å; E385-L393 PolarHBondContact N-O 3.5Å; E385-L393 VanDerWaalsContact N-O 3.16Å; E385-R394 VanDerWaalsContact OE2-CA 3.3Å; E385-R394 WeakPolarHBondContact OE2-CA 3.32Å; E385-R394 WeakPolarHBondContact OE2-CG 3.42Å; E385-A395 WeakPolarHBondContact CG-O 3.4Å; E385-A395 PolarHBondContact OE2-N 2.92Å; E385-F397 HydrophobicContact CB-CE2 4Å; E385-F397 HydrophobicContact CG-CE2 4.09Å; E385-L415 HydrophobicContact CB-CD1 4.03Å
386L94.7Very high91.1Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-126.2150.4178.5179.369.1000109.8V351 L360 I377 R384 L393 I413 L415V351-L386 HydrophobicContact CG1-CD1 4.25Å; V351-L386 HydrophobicContact CG1-CD2 3.95Å; V351-L386 HydrophobicContact CG2-CD1 4.05Å; L360-L386 HydrophobicContact CD2-CD1 4.35Å; I377-L386 HydrophobicContact CB-CD1 4.48Å; R384-L386 PolarHBondContact O-N 2.98Å; L386-L393 HydrophobicContact CB-CB 4.29Å; L386-L393 HydrophobicContact CD2-CD1 4.06Å; L386-L393 PolarHBondContact N-O 2.84Å; L386-L393 PolarHBondContact O-N 2.86Å; L386-L393 VanDerWaalsContact O-O 3.1Å; L386-I413 HydrophobicContact CD2-CG2 3.7Å; L386-L415 HydrophobicContact CB-CD2 4.41Å; L386-L415 HydrophobicContact CD2-CD2 4.13Å
387Y93.8Very high91.1Very high1 Ų130.6 Ų30.60%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-122.5142.4166.1-75.8-110.5000109.7E329 I377 R378 R384 F391 P392E329-Y387 HydrophobicContact CG-CE1 4.26Å; I377-Y387 WeakPolarHBondContact CA-O 3.4Å; R378-Y387 HydrophobicContact CG-CG 4.41Å; R378-Y387 PolarHBondContact N-O 3.33Å; R378-Y387 PolarHBondContact O-N 3.31Å; R384-Y387 HydrophobicContact CB-CE2 4.01Å; R384-Y387 VanDerWaalsContact CD-OH 3.24Å; R384-Y387 WeakPolarHBondContact CD-OH 3.32Å; R384-Y387 PolarHBondContact NH1-OH 3.18Å; Y387-F391 WeakPolarHBondContact CA-O 3.33Å; Y387-P392 HydrophobicContact CD1-CB 4.11Å; Y387-P392 HydrophobicContact CE1-CB 3.72Å; Y387-P392 HydrophobicContact CE1-CG 4.43Å; Y387-P392 HydrophobicContact CE2-CB 4.38Å
388V92.1Very high90.9Very high2 Ų233.3 Ų33.31%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-120.3111.3168.7179.10000107.2V298 I370 H375 I377 N390 F391 L393V298-V388 HydrophobicContact CG2-CG1 4.34Å; I370-V388 HydrophobicContact CD1-CG1 4.47Å; H375-V388 HydrophobicContact CB-CG1 4.28Å; I377-V388 HydrophobicContact CG2-CG2 4.11Å; V388-N390 PolarHBondContact O-N 3.02Å; V388-F391 PolarHBondContact N-O 3.07Å; V388-F391 WeakPolarHBondContact O-CB 3.25Å; V388-F391 PolarHBondContact O-N 2.89Å; V388-L393 HydrophobicContact CB-CD1 4.47Å; V388-L393 HydrophobicContact CG2-CD1 3.58Å
389G87.7Confident90.6Very high28 Ų2830.9 Ų30.929%0.28918%0.184SC..THydrogen-bonded Turntrans56.4-126.6-159.500000109.9T376T376-G389 PolarHBondContact O-N 3.31Å
390N84.2Confident90.4Very high125 Ų12533.5 Ų33.567%0.66820%0.203SC*.THydrogen-bonded Turntrans-931.4174.5-62.647000112.7E329 V388 P392E329-N390 PolarHBondContact OE1-ND2 3.47Å; V388-N390 PolarHBondContact O-N 3.02Å; N390-P392 WeakPolarHBondContact O-CD 3.25Å
391F88.1Confident90.4Very high69 Ų6934.3 Ų34.330%0.30321%0.205SC..EExtended strand (participates in β ladder)trans-86.5118.1-176.2-165.8-90.2000111.3V298 I300 Y387 V388 L393V298-F391 HydrophobicContact CB-CB 3.84Å; V298-F391 HydrophobicContact CB-CD1 4.06Å; V298-F391 HydrophobicContact CB-CD2 4.16Å; V298-F391 HydrophobicContact CB-CG 3.75Å; V298-F391 HydrophobicContact CG1-CB 4.01Å; V298-F391 HydrophobicContact CG1-CD1 3.51Å; V298-F391 HydrophobicContact CG1-CD2 4.48Å; V298-F391 HydrophobicContact CG1-CE1 4.07Å; V298-F391 HydrophobicContact CG1-CG 3.75Å; V298-F391 HydrophobicContact CG2-CB 4.32Å; V298-F391 WeakPolarHBondContact O-CD2 3.42Å; V298-F391 WeakPolarHBondContact O-CE2 3.24Å; I300-F391 HydrophobicContact CD1-CE1 4.29Å; I300-F391 HydrophobicContact CD1-CZ 4.47Å; I300-F391 HydrophobicContact CG1-CE1 4.01Å; I300-F391 HydrophobicContact CG1-CZ 4.21Å; Y387-F391 WeakPolarHBondContact CA-O 3.33Å; V388-F391 PolarHBondContact N-O 3.07Å; V388-F391 WeakPolarHBondContact O-CB 3.25Å; V388-F391 PolarHBondContact O-N 2.89Å; F391-L393 HydrophobicContact CD1-CD2 3.72Å; F391-L393 HydrophobicContact CD1-CG 4.28Å; F391-L393 HydrophobicContact CE1-CD2 3.72Å
392P90Very high90.4Very high40 Ų4035.9 Ų35.926%0.2621%0.213SC..EExtended strand (participates in β ladder)trans-78.8127.8178.730.9-32.9000111.6R384 Y387 N390R384-P392 HydrophobicContact CB-CB 4.07Å; R384-P392 HydrophobicContact CG-CB 3.89Å; Y387-P392 HydrophobicContact CD1-CB 4.11Å; Y387-P392 HydrophobicContact CE1-CB 3.72Å; Y387-P392 HydrophobicContact CE1-CG 4.43Å; Y387-P392 HydrophobicContact CE2-CB 4.38Å; N390-P392 WeakPolarHBondContact O-CD 3.25Å
393L90.4Very high90.5Very high3 Ų338.3 Ų38.32%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-107.3141.1172.9-64.3178.3000110.5R384 E385 L386 V388 F391 I402 V404 I413R384-L393 CarbonylContact C-O 3.58Å; E385-L393 PolarHBondContact N-O 3.5Å; E385-L393 VanDerWaalsContact N-O 3.16Å; L386-L393 HydrophobicContact CB-CB 4.29Å; L386-L393 HydrophobicContact CD2-CD1 4.06Å; L386-L393 PolarHBondContact N-O 2.84Å; L386-L393 PolarHBondContact O-N 2.86Å; L386-L393 VanDerWaalsContact O-O 3.1Å; V388-L393 HydrophobicContact CB-CD1 4.47Å; V388-L393 HydrophobicContact CG2-CD1 3.58Å; F391-L393 HydrophobicContact CD1-CD2 3.72Å; F391-L393 HydrophobicContact CD1-CG 4.28Å; F391-L393 HydrophobicContact CE1-CD2 3.72Å; L393-I402 HydrophobicContact CB-CD1 4.13Å; L393-I402 HydrophobicContact CD1-CD1 4.31Å; L393-V404 HydrophobicContact CD1-CG1 4.45Å; L393-V404 HydrophobicContact CD1-CG2 3.98Å; L393-V404 HydrophobicContact CD2-CG1 3.9Å; L393-V404 HydrophobicContact CD2-CG2 3.72Å; L393-V404 HydrophobicContact CG-CG2 4.5Å; L393-I413 HydrophobicContact CD1-CD1 3.85Å
394R89.8Confident90.6Very high76 Ų7637.6 Ų37.629%0.28722%0.216SC..  trans-103.6119.5177.1-166.2176.9-173.7-120.8-9.7109.7V309 P310 E385V309-R394 PolarHBondContact O-NH1 3.06Å; P310-R394 PolarHBondContact O-NH2 3.41Å; E385-R394 VanDerWaalsContact OE2-CA 3.3Å; E385-R394 WeakPolarHBondContact OE2-CA 3.32Å; E385-R394 WeakPolarHBondContact OE2-CG 3.42Å
395A88.8Confident90.4Very high7 Ų735.8 Ų35.86%0.05821%0.213CC..  trans-149.6164.4-174.200000110.9E385 I402 L415E385-A395 WeakPolarHBondContact CG-O 3.4Å; E385-A395 PolarHBondContact OE2-N 2.92Å; A395-I402 HydrophobicContact CB-CD1 4.16Å; A395-I402 HydrophobicContact CB-CG2 4.4Å; A395-L415 HydrophobicContact CB-CD1 3.74Å; A395-L415 HydrophobicContact CB-CG 3.89Å
396S91.2Very high90Very high35 Ų3534.8 Ų34.825%0.24521%0.208CC..  trans-116.8128.7176.440.20000111G398 G399S396-G398 PolarHBondContact O-N 3.1Å; S396-G399 WeakPolarHBondContact O-CA 3.44Å; S396-G399 PolarHBondContact O-N 3.16Å
397F93.7Very high89.3Confident17 Ų1737.1 Ų37.18%0.07522%0.22CC..BIsolated β-bridgetrans-61.1123.6172.1-64.8-93.4000109.7F344 F362 F379 E385 G399 L415 G417 P420F344-F397 HydrophobicContact CD2-CZ 4.42Å; F344-F397 HydrophobicContact CE2-CE2 4.01Å; F344-F397 HydrophobicContact CE2-CZ 4.25Å; F344-F397 HydrophobicContact CZ-CE2 4.11Å; F362-F397 AromaticContact CE1-CE1 3.75Å; F362-F397 HydrophobicContact CE1-CE1 3.75Å; F362-F397 AromaticContact CE1-CZ 3.8Å; F362-F397 HydrophobicContact CE1-CZ 3.8Å; F362-F397 AromaticContact CZ-CE1 3.96Å; F362-F397 HydrophobicContact CZ-CE1 3.96Å; F362-F397 HydrophobicContact CZ-CZ 4.38Å; F379-F397 AromaticContact CD1-CE1 3.9Å; F379-F397 HydrophobicContact CD1-CE1 3.9Å; F379-F397 AromaticContact CD1-CZ 3.72Å; F379-F397 HydrophobicContact CD1-CZ 3.72Å; F379-F397 AromaticContact CE1-CE1 3.46Å; F379-F397 HydrophobicContact CE1-CE1 3.46Å; F379-F397 VanDerWaalsContact CE1-CE1 3.46Å; F379-F397 AromaticContact CE1-CZ 3.76Å; F379-F397 HydrophobicContact CE1-CZ 3.76Å; F379-F397 HydrophobicContact CG-CZ 4.47Å; F379-F397 AromaticContact CZ-CE1 3.87Å; F379-F397 HydrophobicContact CZ-CE1 3.87Å; E385-F397 HydrophobicContact CB-CE2 4Å; E385-F397 HydrophobicContact CG-CE2 4.09Å; F397-G399 PolarHBondContact O-N 2.9Å; F397-L415 HydrophobicContact CD1-CB 4.09Å; F397-L415 HydrophobicContact CD1-CD1 4.22Å; F397-L415 HydrophobicContact CD2-CD1 4.22Å; F397-L415 HydrophobicContact CE1-CD1 4.02Å; F397-L415 HydrophobicContact CE2-CD1 4.03Å; F397-L415 HydrophobicContact CG-CB 4.35Å; F397-L415 HydrophobicContact CG-CD1 4.31Å; F397-L415 HydrophobicContact CZ-CD1 3.91Å; F397-G417 CarbonylContact C-O 3.58Å; F397-P420 VanDerWaalsContact CD2-CD 3.45Å; F397-P420 HydrophobicContact CD2-CG 4.22Å; F397-P420 HydrophobicContact CE1-CG 4.33Å; F397-P420 HydrophobicContact CE2-CG 3.9Å; F397-P420 HydrophobicContact CZ-CG 3.97Å
398G91.4Very high88.6Confident57 Ų5739.9 Ų39.959%0.58825%0.249SC*.THydrogen-bonded Turntrans73.45.5-174.900000113.8S396 L415 G417S396-G398 PolarHBondContact O-N 3.1Å; G398-L415 PolarHBondContact N-O 3.2Å; G398-G417 VanDerWaalsContact CA-O 3.24Å; G398-G417 WeakPolarHBondContact CA-O 3.46Å; G398-G417 PolarHBondContact N-O 3.24Å
399G89.1Confident88.3Confident16 Ų1643.1 Ų43.117%0.16527%0.269CS..SBendtrans-88.8-172.3-177.900000114.2S396 F397 Q414S396-G399 WeakPolarHBondContact O-CA 3.44Å; S396-G399 PolarHBondContact O-N 3.16Å; F397-G399 PolarHBondContact O-N 2.9Å; G399-Q414 PolarHBondContact O-NE2 2.71Å
400P90.8Very high88.3Confident66 Ų6647 Ų4743%0.42928%0.278SS..PPolyproline II helixtrans-65.2153.1173.929.5-35.4000111.5
401P92.1Very high88.7Confident33 Ų3341.3 Ų41.321%0.21425%0.247CC..PPolyproline II helixtrans-65.2145172.529.5-36000111.5K412 I413 Q414P401-K412 HydrophobicContact CB-CD 4.35Å; P401-K412 HydrophobicContact CB-CG 3.78Å; P401-K412 HydrophobicContact CG-CG 4.46Å; P401-I413 CarbonylContact C-O 3.51Å; P401-I413 WeakPolarHBondContact CA-O 3.03Å; P401-Q414 HydrophobicContact CB-CB 4.12Å; P401-Q414 HydrophobicContact CB-CG 4.37Å
402I91.4Very high89Confident35 Ų3542.5 Ų42.518%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-97.4160.216763.1165.7000110.2L393 A395 V404 I413L393-I402 HydrophobicContact CB-CD1 4.13Å; L393-I402 HydrophobicContact CD1-CD1 4.31Å; A395-I402 HydrophobicContact CB-CD1 4.16Å; A395-I402 HydrophobicContact CB-CG2 4.4Å; I402-V404 HydrophobicContact CD1-CG2 3.86Å; I402-V404 HydrophobicContact CG1-CG2 4.24Å; I402-I413 HydrophobicContact CG1-CB 4.03Å; I402-I413 WeakPolarHBondContact CG1-O 3.26Å; I402-I413 PolarHBondContact N-O 2.89Å; I402-I413 PolarHBondContact O-N 2.73Å
403F91.9Very high89.2Confident76 Ų7640.7 Ų40.733%0.33324%0.24SC..EExtended strand (participates in β ladder)trans-119.6131.4175.4-62.4-84.5000110.6K410 H411 K412F403-K410 HydrophobicContact CB-CG 4.36Å; F403-K410 HydrophobicContact CD1-CG 4.46Å; F403-H411 WeakPolarHBondContact CA-O 3.49Å; F403-K412 HydrophobicContact CD1-CB 4.05Å; F403-K412 HydrophobicContact CD1-CG 4.34Å; F403-K412 HydrophobicContact CE1-CB 3.8Å; F403-K412 HydrophobicContact CE1-CD 4.39Å; F403-K412 HydrophobicContact CE1-CG 3.79Å; F403-K412 HydrophobicContact CZ-CG 4.28Å
404V87.5Confident89.4Confident1 Ų143.3 Ų43.31%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-138.3134.1-171.6-175.20000108.8V298 E299 L393 I402 V406 H411 I413V298-V404 HydrophobicContact CG1-CG1 3.61Å; E299-V404 WeakPolarHBondContact O-CG1 3.35Å; L393-V404 HydrophobicContact CD1-CG1 4.45Å; L393-V404 HydrophobicContact CD1-CG2 3.98Å; L393-V404 HydrophobicContact CD2-CG1 3.9Å; L393-V404 HydrophobicContact CD2-CG2 3.72Å; L393-V404 HydrophobicContact CG-CG2 4.5Å; I402-V404 HydrophobicContact CD1-CG2 3.86Å; I402-V404 HydrophobicContact CG1-CG2 4.24Å; V404-V406 HydrophobicContact CG1-CG2 4.32Å; V404-H411 PolarHBondContact N-O 3.49Å; V404-H411 PolarHBondContact O-N 2.98Å; V404-I413 HydrophobicContact CB-CD1 4.21Å; V404-I413 HydrophobicContact CG2-CD1 4.07Å
405N86.1Confident89.7Confident44 Ų4439.8 Ų39.824%0.23524%0.239CC..EExtended strand (participates in β ladder)trans-79.9116.7167.3-78-8.6000108.7V298 E299 V301 V409 K410V298-N405 CarbonylContact C-O 3.6Å; V298-N405 WeakPolarHBondContact CA-O 3.39Å; E299-N405 HydrophobicContact CB-CB 4.39Å; E299-N405 PolarHBondContact N-O 2.94Å; E299-N405 PolarHBondContact O-N 2.94Å; V301-N405 HydrophobicContact CG2-CB 4.35Å; V301-N405 WeakPolarHBondContact CG2-OD1 3.49Å; N405-V409 CarbonylContact C-O 3.54Å; N405-V409 VanDerWaalsContact CA-O 3.22Å; N405-V409 WeakPolarHBondContact CA-O 3.24Å; N405-K410 WeakPolarHBondContact OD1-CA 3.4Å
406V84.8Confident90Very high0 Ų041.4 Ų41.40%025%0.25CC..EExtended strand (participates in β ladder)trans-109.9128.5166.2-177.20000106.3V298 I370 H375 V404 G408 V409V298-V406 HydrophobicContact CG1-CG2 4.43Å; V298-V406 HydrophobicContact CG2-CG1 4.4Å; I370-V406 HydrophobicContact CB-CG1 4.49Å; I370-V406 HydrophobicContact CD1-CG1 4.43Å; I370-V406 HydrophobicContact CD1-CG2 4.43Å; I370-V406 HydrophobicContact CG2-CB 4.3Å; I370-V406 HydrophobicContact CG2-CG1 4.22Å; H375-V406 WeakPolarHBondContact CE1-CG1 3.39Å; V404-V406 HydrophobicContact CG1-CG2 4.32Å; V406-G408 PolarHBondContact O-N 3.29Å; V406-V409 PolarHBondContact N-O 2.89Å; V406-V409 PolarHBondContact O-N 3.02Å
407N81.3Confident90Very high49 Ų4941.3 Ų41.326%0.26225%0.254SS..THydrogen-bonded Turntrans54.713.6-177.1-64.2-31.1000115.8T297 Q373T297-N407 PolarHBondContact O-N 3.16Å; Q373-N407 PolarHBondContact OE1-ND2 3.45Å; Q373-N407 PolarHBondContact OE1-OD1 3.38Å
408G78.7Confident89.9Confident58 Ų5844.8 Ų44.860%0.59828%0.278SS*.THydrogen-bonded Turntrans99.7-6.1-175.800000115.2V406V406-G408 PolarHBondContact O-N 3.29Å
409V84.9Confident89.8Confident71 Ų7147 Ų4743%0.4328%0.282SS..EExtended strand (participates in β ladder)trans-98.8137.5177.2-179.30000110.1D371 N405 V406 H411D371-V409 VanDerWaalsContact OD2-CB 3.26Å; D371-V409 WeakPolarHBondContact OD2-CB 3.37Å; D371-V409 WeakPolarHBondContact OD2-CG2 3.45Å; N405-V409 CarbonylContact C-O 3.54Å; N405-V409 VanDerWaalsContact CA-O 3.22Å; N405-V409 WeakPolarHBondContact CA-O 3.24Å; V406-V409 PolarHBondContact N-O 2.89Å; V406-V409 PolarHBondContact O-N 3.02Å; V409-H411 PolarHBondContact O-CD2 3.16Å; V409-H411 PolarHBondContact O-N 2.72Å; V409-H411 PolarHBondContact O-NE2 2.76Å
410K89.1Confident89.9Confident110 Ų11047.2 Ų47.248%0.47828%0.281SS..EExtended strand (participates in β ladder)trans-84.2104.6-177.7-179.5173.1-175.3173.90111.2V301 F403 N405V301-K410 HydrophobicContact CG1-CD 4.35Å; V301-K410 HydrophobicContact CG2-CD 4.18Å; V301-K410 HydrophobicContact CG2-CG 4.08Å; F403-K410 HydrophobicContact CB-CG 4.36Å; F403-K410 HydrophobicContact CD1-CG 4.46Å; N405-K410 WeakPolarHBondContact OD1-CA 3.4Å
411H91.7Very high89.9Confident5 Ų549.5 Ų49.52%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-95.1150.1174.9-56.8-78.3000111.9I353 D354 I370 D371 F403 V404 V409I353-H411 HydrophobicContact CG2-CB 4.44Å; D354-H411 WeakPolarHBondContact OD1-CA 3.33Å; D354-H411 IonicContact OD2-CE1 3.74Å; D354-H411 IonicContact OD2-CG 3.5Å; D354-H411 IonicContact OD2-ND1 3.12Å; D354-H411 PolarHBondContact OD2-ND1 2.86Å; I370-H411 WeakPolarHBondContact CG2-CE1 3.48Å; I370-H411 VanDerWaalsContact CG2-NE2 3.34Å; I370-H411 WeakPolarHBondContact CG2-NE2 3.46Å; D371-H411 IonicContact OD1-CE1 2.76Å; D371-H411 PolarHBondContact OD1-CE1 3.4Å; D371-H411 IonicContact OD1-NE2 3.48Å; D371-H411 IonicContact OD2-CE1 3.43Å; D371-H411 IonicContact OD2-NE2 2.63Å; D371-H411 PolarHBondContact OD2-NE2 2.89Å; F403-H411 WeakPolarHBondContact CA-O 3.49Å; V404-H411 PolarHBondContact N-O 3.49Å; V404-H411 PolarHBondContact O-N 2.98Å; V409-H411 PolarHBondContact O-CD2 3.16Å; V409-H411 PolarHBondContact O-N 2.72Å; V409-H411 PolarHBondContact O-NE2 2.76Å
412K93.9Very high90Very high93 Ų9349.8 Ų49.840%0.40429%0.287SS..EExtended strand (participates in β ladder)trans-100.6114.2172.5-178.4-167.7176.2-169.10109.2I353 D354 P401 F403I353-K412 WeakPolarHBondContact CA-O 3.46Å; D354-K412 PolarHBondContact N-O 2.92Å; D354-K412 PolarHBondContact OD1-N 3.23Å; P401-K412 HydrophobicContact CB-CD 4.35Å; P401-K412 HydrophobicContact CB-CG 3.78Å; P401-K412 HydrophobicContact CG-CG 4.46Å; F403-K412 HydrophobicContact CD1-CB 4.05Å; F403-K412 HydrophobicContact CD1-CG 4.34Å; F403-K412 HydrophobicContact CE1-CB 3.8Å; F403-K412 HydrophobicContact CE1-CD 4.39Å; F403-K412 HydrophobicContact CE1-CG 3.79Å; F403-K412 HydrophobicContact CZ-CG 4.28Å
413I94.9Very high90Very high2 Ų251.7 Ų51.71%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-114.4131.6-178.4-53-179.9000109.8V351 V352 I353 L386 L393 P401 I402 V404V351-I413 HydrophobicContact CG1-CG2 3.99Å; V352-I413 CarbonylContact O-C 3.59Å; V352-I413 WeakPolarHBondContact O-CA 3.45Å; I353-I413 HydrophobicContact CG1-CG1 4.27Å; I353-I413 HydrophobicContact CG1-CG2 4.32Å; I353-I413 HydrophobicContact CG2-CG1 4.47Å; L386-I413 HydrophobicContact CD2-CG2 3.7Å; L393-I413 HydrophobicContact CD1-CD1 3.85Å; P401-I413 CarbonylContact C-O 3.51Å; P401-I413 WeakPolarHBondContact CA-O 3.03Å; I402-I413 HydrophobicContact CG1-CB 4.03Å; I402-I413 WeakPolarHBondContact CG1-O 3.26Å; I402-I413 PolarHBondContact N-O 2.89Å; I402-I413 PolarHBondContact O-N 2.73Å; V404-I413 HydrophobicContact CB-CD1 4.21Å; V404-I413 HydrophobicContact CG2-CD1 4.07Å
414Q95Very high90Very high59 Ų5949.4 Ų49.428%0.27629%0.285SS..EExtended strand (participates in β ladder)trans-133.7138.7176.5-165.2171.23.200111.1V352 G399 P401V352-Q414 HydrophobicContact CB-CB 4.44Å; V352-Q414 PolarHBondContact N-O 3.34Å; V352-Q414 PolarHBondContact O-N 2.72Å; G399-Q414 PolarHBondContact O-NE2 2.71Å; P401-Q414 HydrophobicContact CB-CB 4.12Å; P401-Q414 HydrophobicContact CB-CG 4.37Å
415L96.1Very high90.3Very high1 Ų151.1 Ų51.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-95.9118.4172.3-57.9-168.6000109V351 F379 E385 L386 A395 F397 G398V351-L415 HydrophobicContact CB-CD2 4.45Å; V351-L415 HydrophobicContact CG1-CD2 4.09Å; V351-L415 HydrophobicContact CG2-CD2 3.97Å; F379-L415 HydrophobicContact CE1-CD1 4.32Å; F379-L415 HydrophobicContact CE1-CD2 3.99Å; E385-L415 HydrophobicContact CB-CD1 4.03Å; L386-L415 HydrophobicContact CB-CD2 4.41Å; L386-L415 HydrophobicContact CD2-CD2 4.13Å; A395-L415 HydrophobicContact CB-CD1 3.74Å; A395-L415 HydrophobicContact CB-CG 3.89Å; F397-L415 HydrophobicContact CD1-CB 4.09Å; F397-L415 HydrophobicContact CD1-CD1 4.22Å; F397-L415 HydrophobicContact CD2-CD1 4.22Å; F397-L415 HydrophobicContact CE1-CD1 4.02Å; F397-L415 HydrophobicContact CE2-CD1 4.03Å; F397-L415 HydrophobicContact CG-CB 4.35Å; F397-L415 HydrophobicContact CG-CD1 4.31Å; F397-L415 HydrophobicContact CZ-CD1 3.91Å; G398-L415 PolarHBondContact N-O 3.2Å
416C94.2Very high90.4Very high42 Ų4254.3 Ų54.328%0.28432%0.317SS..  trans-79.8172177.7-70.50000112.6H349 D350 V352H349-C416 PolarHBondContact CD2-O 2.79Å; D350-C416 HydrophobicContact CB-CB 4.12Å; D350-C416 WeakPolarHBondContact O-CB 3.37Å; D350-C416 PolarHBondContact O-N 2.83Å; V352-C416 VanDerWaalsContact CG2-SG 3.6Å
417G90.7Very high90.6Very high33 Ų3361.2 Ų61.234%0.3435%0.349SS..SBendtrans68.1-178.8173.300000116.3F397 G398F397-G417 CarbonylContact C-O 3.58Å; G398-G417 VanDerWaalsContact CA-O 3.24Å; G398-G417 WeakPolarHBondContact CA-O 3.46Å; G398-G417 PolarHBondContact N-O 3.24Å
418P92.2Very high91Very high89 Ų8960 Ų6058%0.57834%0.344SS*.SBendtrans-73.3159.4-178.630.8-36.8000112.9
419P89.7Confident91.5Very high104 Ų10457.3 Ų57.368%0.67532%0.316SS*.PPolyproline II helixtrans-53.7127.9167.8-26.535.8000112.2
420P92Very high91.5Very high20 Ų2059.2 Ų59.213%0.1332%0.316CS..PPolyproline II helixtrans-73.3165-178.729.5-36.9000113.5F344 F362 F397F344-P420 HydrophobicContact CB-CB 4.2Å; F344-P420 HydrophobicContact CB-CG 3.94Å; F344-P420 HydrophobicContact CD1-CB 4.27Å; F344-P420 HydrophobicContact CD1-CG 3.46Å; F344-P420 VanDerWaalsContact CD1-CG 3.46Å; F344-P420 HydrophobicContact CD2-CG 4.3Å; F344-P420 HydrophobicContact CE1-CG 3.91Å; F344-P420 HydrophobicContact CG-CB 4.43Å; F344-P420 HydrophobicContact CG-CG 3.67Å; F362-P420 HydrophobicContact CE1-CB 3.96Å; F362-P420 HydrophobicContact CE1-CG 3.78Å; F362-P420 HydrophobicContact CE2-CB 3.8Å; F362-P420 HydrophobicContact CZ-CB 3.46Å; F362-P420 VanDerWaalsContact CZ-CB 3.46Å; F362-P420 HydrophobicContact CZ-CG 3.7Å; F397-P420 VanDerWaalsContact CD2-CD 3.45Å; F397-P420 HydrophobicContact CD2-CG 4.22Å; F397-P420 HydrophobicContact CE1-CG 4.33Å; F397-P420 HydrophobicContact CE2-CG 3.9Å; F397-P420 HydrophobicContact CZ-CG 3.97Å
421E90.8Very high91.3Very high114 Ų11458.5 Ų58.553%0.53331%0.314SS..EExtended strand (participates in β ladder)trans-68.1135.5171.9-166.4-175.4177.800109.5F344 V345 K423F344-E421 CarbonylContact C-O 3.55Å; F344-E421 WeakPolarHBondContact CA-O 3.49Å; V345-E421 PolarHBondContact N-O 2.98Å; V345-E421 WeakPolarHBondContact O-CB 3.47Å; V345-E421 PolarHBondContact O-N 3.3Å; E421-K423 HydrophobicContact CG-CG 4.47Å; E421-K423 WeakPolarHBondContact OE1-CE 3.34Å; E421-K423 IonicContact OE1-NZ 2.7Å; E421-K423 PolarHBondContact OE1-NZ 2.95Å; E421-K423 WeakPolarHBondContact OE2-CE 3.46Å; E421-K423 IonicContact OE2-NZ 3.76Å; E421-K423 PolarHBondContact OE2-NZ 3.39Å
422V92.3Very high91.1Very high39 Ų3958.8 Ų58.824%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-99.7115.6171.8-178.20000108.3L315 I342 F344 P382L315-V422 HydrophobicContact CD1-CB 3.99Å; L315-V422 HydrophobicContact CD1-CG1 3.89Å; L315-V422 HydrophobicContact CD1-CG2 4.07Å; L315-V422 HydrophobicContact CD2-CG1 3.7Å; L315-V422 HydrophobicContact CG-CG1 4.47Å; I342-V422 HydrophobicContact CB-CG1 4.14Å; I342-V422 HydrophobicContact CD1-CG1 4.32Å; F344-V422 HydrophobicContact CD1-CG2 3.79Å; F344-V422 HydrophobicContact CE1-CG2 3.71Å; P382-V422 HydrophobicContact CG-CG1 4.36Å; P382-V422 HydrophobicContact CG-CG2 3.74Å
423K92.2Very high90.4Very high76 Ų7657.5 Ų57.533%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-97.2146.3172.5-62.2-160178.9178.50110.9I342 Y343 V345 E421I342-K423 VanDerWaalsContact CA-O 3.27Å; I342-K423 WeakPolarHBondContact CA-O 3.32Å; Y343-K423 HydrophobicContact CD2-CB 4.49Å; Y343-K423 HydrophobicContact CE1-CB 4.23Å; Y343-K423 HydrophobicContact CE2-CB 3.97Å; Y343-K423 PolarHBondContact N-O 3.32Å; Y343-K423 PolarHBondContact O-N 3.05Å; V345-K423 HydrophobicContact CB-CD 4.26Å; V345-K423 HydrophobicContact CB-CG 4.24Å; V345-K423 HydrophobicContact CG1-CD 4.46Å; V345-K423 HydrophobicContact CG2-CB 4.15Å; V345-K423 HydrophobicContact CG2-CD 3.87Å; V345-K423 HydrophobicContact CG2-CG 3.79Å; E421-K423 HydrophobicContact CG-CG 4.47Å; E421-K423 WeakPolarHBondContact OE1-CE 3.34Å; E421-K423 IonicContact OE1-NZ 2.7Å; E421-K423 PolarHBondContact OE1-NZ 2.95Å; E421-K423 WeakPolarHBondContact OE2-CE 3.46Å; E421-K423 IonicContact OE2-NZ 3.76Å; E421-K423 PolarHBondContact OE2-NZ 3.39Å
424I92.8Very high89.4Confident28 Ų2865.9 Ų65.914%0.14434%0.344CS..EExtended strand (participates in β ladder)trans-100.5132.4168-57.1159.4000106.6V317 I333 H340 R341 I342V317-I424 HydrophobicContact CB-CD1 4.17Å; V317-I424 HydrophobicContact CG1-CD1 3.82Å; V317-I424 HydrophobicContact CG2-CD1 3.92Å; I333-I424 HydrophobicContact CD1-CD1 3.56Å; I333-I424 HydrophobicContact CD1-CG1 3.75Å; I333-I424 HydrophobicContact CD1-CG2 4.17Å; I333-I424 HydrophobicContact CG1-CG2 4.46Å; H340-I424 HydrophobicContact CB-CG2 3.46Å; H340-I424 VanDerWaalsContact CB-CG2 3.46Å; R341-I424 WeakPolarHBondContact O-CA 3.42Å; I342-I424 HydrophobicContact CG2-CG1 3.96Å
425D92Very high88.6Confident37 Ų3765.1 Ų65.120%0.19834%0.34CS..EExtended strand (participates in β ladder)trans-61.8122.5171.6-173.1-13.1000109.8H340 R341 Y343 E427H340-D425 PolarHBondContact ND1-O 3.25Å; R341-D425 HydrophobicContact CB-CB 3.75Å; R341-D425 PolarHBondContact O-N 2.95Å; Y343-D425 HydrophobicContact CE1-CB 4.25Å; D425-E427 PolarHBondContact O-N 2.81Å; D425-E427 PolarHBondContact OD1-N 3.28Å
426P89.9Confident87.3Confident111 Ų11165.8 Ų65.872%0.72134%0.344SS*.EExtended strand (participates in β ladder)trans-65.1-26.6-179.927.4-35.4000112.4
427E88.4Confident85.8Confident145 Ų14567.3 Ų67.368%0.67836%0.355SS*.EExtended strand (participates in β ladder)trans-84.6133174.5-63.7-157.5163.600110.8D425 A429D425-E427 PolarHBondContact O-N 2.81Å; D425-E427 PolarHBondContact OD1-N 3.28Å; E427-A429 PolarHBondContact O-N 3.35Å
428P89.8Confident84.2Confident23 Ų2368.4 Ų68.415%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-64.4136.4170.9-1930.4000111.2L338 P339 Y430L338-P428 HydrophobicContact CB-CB 4.07Å; L338-P428 HydrophobicContact CD1-CB 4.04Å; L338-P428 HydrophobicContact CD1-CG 3.87Å; P339-P428 CarbonylContact O-C 3.53Å; P339-P428 WeakPolarHBondContact O-CA 3.48Å; P428-Y430 HydrophobicContact CB-CD2 4.15Å; P428-Y430 HydrophobicContact CB-CE1 4.25Å; P428-Y430 HydrophobicContact CB-CE2 3.8Å; P428-Y430 HydrophobicContact CG-CE2 3.96Å; P428-Y430 WeakPolarHBondContact O-CD2 3.26Å; P428-Y430 WeakPolarHBondContact O-CE2 3.35Å; P428-Y430 PolarHBondContact O-N 2.89Å
429A89.1Confident82.4Confident1 Ų164.9 Ų64.91%0.00833%0.331CS..  trans-78.765.7176.700000110.8P339 R341 E427 E431 L432P339-A429 HydrophobicContact CB-CB 4.46Å; P339-A429 HydrophobicContact CG-CB 4.32Å; P339-A429 VanDerWaalsContact CG-O 3.23Å; P339-A429 WeakPolarHBondContact CG-O 3.47Å; P339-A429 PolarHBondContact O-N 3.32Å; R341-A429 HydrophobicContact CG-CB 4.23Å; E427-A429 PolarHBondContact O-N 3.35Å; A429-E431 VanDerWaalsContact C-OE2 3.26Å; A429-E431 PolarHBondContact O-N 3.48Å; A429-L432 HydrophobicContact CB-CB 4.3Å; A429-L432 HydrophobicContact CB-CD1 3.73Å; A429-L432 HydrophobicContact CB-CG 3.96Å; A429-L432 WeakPolarHBondContact O-CA 2.99Å; A429-L432 WeakPolarHBondContact O-CB 3.36Å; A429-L432 PolarHBondContact O-N 3.13Å
430Y85.5Confident80.6Confident112 Ų11261.4 Ų61.444%0.43931%0.309SS..G310 helixtrans-50.6-33.6-170.2-68.3-84.2000114.2L338 P428 L432 I433L338-Y430 HydrophobicContact CD1-CE1 4.4Å; P428-Y430 HydrophobicContact CB-CD2 4.15Å; P428-Y430 HydrophobicContact CB-CE1 4.25Å; P428-Y430 HydrophobicContact CB-CE2 3.8Å; P428-Y430 HydrophobicContact CG-CE2 3.96Å; P428-Y430 WeakPolarHBondContact O-CD2 3.26Å; P428-Y430 WeakPolarHBondContact O-CE2 3.35Å; P428-Y430 PolarHBondContact O-N 2.89Å; Y430-L432 PolarHBondContact O-N 3.18Å; Y430-I433 HydrophobicContact CD1-CD1 3.76Å; Y430-I433 HydrophobicContact CG-CD1 4.4Å; Y430-I433 WeakPolarHBondContact O-CB 3.31Å; Y430-I433 WeakPolarHBondContact O-CD1 3.4Å; Y430-I433 WeakPolarHBondContact O-CG1 3.47Å; Y430-I433 PolarHBondContact O-N 3.42Å
431E84.5Confident78.4Confident94 Ų9464.4 Ų64.444%0.43932%0.321SS..G310 helixtrans-63-21175.370.9-71.317100114.4R341 A429R341-E431 IonicContact CZ-OE1 2.72Å; R341-E431 IonicContact NH1-OE1 2.9Å; R341-E431 PolarHBondContact NH1-OE1 3.35Å; R341-E431 IonicContact NH2-OE1 3.83Å; R341-E431 PolarHBondContact NH2-OE1 2.92Å; A429-E431 VanDerWaalsContact C-OE2 3.26Å; A429-E431 PolarHBondContact O-N 3.48Å
432L86.4Confident76.3Confident11 Ų1162.4 Ų62.46%0.05832%0.32CS..G310 helixtrans-91.7-9.2179-53.6-176.8000113.4I327 V330 V332 P339 A429 Y430 R434 F435 M436I327-L432 HydrophobicContact CD1-CB 4.31Å; I327-L432 HydrophobicContact CG2-CD2 4.02Å; V330-L432 HydrophobicContact CB-CD1 4.33Å; V330-L432 HydrophobicContact CG1-CD1 4Å; V332-L432 HydrophobicContact CG1-CD1 3.6Å; P339-L432 HydrophobicContact CB-CB 4.31Å; P339-L432 HydrophobicContact CG-CB 4.13Å; A429-L432 HydrophobicContact CB-CB 4.3Å; A429-L432 HydrophobicContact CB-CD1 3.73Å; A429-L432 HydrophobicContact CB-CG 3.96Å; A429-L432 WeakPolarHBondContact O-CA 2.99Å; A429-L432 WeakPolarHBondContact O-CB 3.36Å; A429-L432 PolarHBondContact O-N 3.13Å; Y430-L432 PolarHBondContact O-N 3.18Å; L432-R434 VanDerWaalsContact C-N 3.31Å; L432-R434 PolarHBondContact O-N 2.93Å; L432-F435 HydrophobicContact CD2-CD2 4.04Å; L432-F435 HydrophobicContact CD2-CE2 4.46Å; L432-F435 WeakPolarHBondContact O-CA 3.23Å; L432-F435 WeakPolarHBondContact O-CB 3.32Å; L432-F435 PolarHBondContact O-N 3.23Å; L432-M436 PolarHBondContact O-N 2.65Å
433I80.2Confident74.3Confident67 Ų6764 Ų6434%0.34433%0.333SS..Hα-helixtrans-54-47.4-179.6-68.2168.8000111L338 P339 Y430 F435 M436L338-I433 HydrophobicContact CD2-CD1 3.84Å; L338-I433 HydrophobicContact CD2-CG1 4.45Å; P339-I433 VanDerWaalsContact CD-CG1 3.46Å; P339-I433 HydrophobicContact CG-CG1 3.8Å; Y430-I433 HydrophobicContact CD1-CD1 3.76Å; Y430-I433 HydrophobicContact CG-CD1 4.4Å; Y430-I433 WeakPolarHBondContact O-CB 3.31Å; Y430-I433 WeakPolarHBondContact O-CD1 3.4Å; Y430-I433 WeakPolarHBondContact O-CG1 3.47Å; Y430-I433 PolarHBondContact O-N 3.42Å; I433-F435 PolarHBondContact O-N 3.36Å; I433-F435 VanDerWaalsContact O-N 3.12Å; I433-M436 WeakPolarHBondContact O-CB 3.5Å; I433-M436 PolarHBondContact O-N 3.36Å
434R73.6Confident72.2Confident177 Ų17768.7 Ų68.767%0.66835%0.348SS*.Hα-helixtrans-56.9-28.3177.966.8-178.6-179.9170.70.9113.6L432L432-R434 VanDerWaalsContact C-N 3.31Å; L432-R434 PolarHBondContact O-N 2.93Å
435F77.6Confident70.1Confident44 Ų4474 Ų7419%0.19337%0.367CS..Hα-helixtrans-90.9-14.9-178.8-60.7-56.6000112.9I327 L432 I433 S437 L438 A439I327-F435 HydrophobicContact CD1-CB 3.99Å; I327-F435 HydrophobicContact CG1-CB 4.36Å; I327-F435 HydrophobicContact CG2-CB 3.42Å; I327-F435 VanDerWaalsContact CG2-CB 3.42Å; I327-F435 HydrophobicContact CG2-CD2 3.67Å; I327-F435 HydrophobicContact CG2-CG 3.77Å; L432-F435 HydrophobicContact CD2-CD2 4.04Å; L432-F435 HydrophobicContact CD2-CE2 4.46Å; L432-F435 WeakPolarHBondContact O-CA 3.23Å; L432-F435 WeakPolarHBondContact O-CB 3.32Å; L432-F435 PolarHBondContact O-N 3.23Å; I433-F435 PolarHBondContact O-N 3.36Å; I433-F435 VanDerWaalsContact O-N 3.12Å; F435-S437 PolarHBondContact O-N 2.9Å; F435-L438 HydrophobicContact CD1-CD1 4.08Å; F435-L438 PolarHBondContact O-N 2.92Å; F435-A439 VanDerWaalsContact O-CB 3.23Å; F435-A439 WeakPolarHBondContact O-CB 3.39Å; F435-A439 PolarHBondContact O-N 3.23Å
436M69.9Low68.1Low15 Ų1574.7 Ų74.77%0.07438%0.378CS..Hα-helixtrans-63.1-44.3178-61.3-168.283.800112I327 E334 P339 L432 I433 A439 S440I327-M436 HydrophobicContact CD1-CG 4.29Å; E334-M436 HydrophobicContact CB-CE 3.58Å; E334-M436 HydrophobicContact CG-CE 3.57Å; P339-M436 HydrophobicContact CB-CE 3.95Å; P339-M436 HydrophobicContact CB-CG 4.11Å; P339-M436 HydrophobicContact CB-SD 3.53Å; P339-M436 VanDerWaalsContact CB-SD 3.53Å; P339-M436 WeakPolarHBondContact CD-SD 2.98Å; P339-M436 HydrophobicContact CG-CG 4.3Å; P339-M436 HydrophobicContact CG-SD 3.69Å; L432-M436 PolarHBondContact O-N 2.65Å; I433-M436 WeakPolarHBondContact O-CB 3.5Å; I433-M436 PolarHBondContact O-N 3.36Å; M436-A439 PolarHBondContact O-N 3.46Å; M436-S440 PolarHBondContact O-N 2.87Å
437S61.8Low66.1Low74 Ų7472.5 Ų72.552%0.51737%0.369SS..Hα-helixtrans-58.5-51.4174.3-52.40000110.6F435 A439 S440 E441F435-S437 PolarHBondContact O-N 2.9Å; S437-A439 VanDerWaalsContact C-N 3.34Å; S437-A439 PolarHBondContact O-N 3.25Å; S437-S440 WeakPolarHBondContact O-CB 3.38Å; S437-S440 PolarHBondContact O-N 2.65Å; S437-S440 VanDerWaalsContact O-N 3.13Å; S437-S440 PolarHBondContact O-OG 3.02Å; S437-E441 PolarHBondContact O-N 3.03Å
438L58.1Low64.3Low55 Ų5572.5 Ų72.529%0.28837%0.373SS..Hα-helixtrans-63.6-34.2-179.8-63.6171.5000113.1F435 S442 L534F435-L438 HydrophobicContact CD1-CD1 4.08Å; F435-L438 PolarHBondContact O-N 2.92Å; L438-S442 VanDerWaalsContact O-CB 3.25Å; L438-S442 WeakPolarHBondContact O-CB 3.29Å; L438-S442 PolarHBondContact O-N 3.31Å; L438-S442 PolarHBondContact O-OG 2.98Å; L438-L534 HydrophobicContact CD1-CD1 4.22Å
439A53.2Low62.3Low16 Ų1678 Ų7813%0.13240%0.4CS..Hα-helixtrans-71.1-39.4173.700000111.5I327 F435 M436 S437 E441 S442 S443I327-A439 HydrophobicContact CG1-CB 4.17Å; F435-A439 VanDerWaalsContact O-CB 3.23Å; F435-A439 WeakPolarHBondContact O-CB 3.39Å; F435-A439 PolarHBondContact O-N 3.23Å; M436-A439 PolarHBondContact O-N 3.46Å; S437-A439 VanDerWaalsContact C-N 3.34Å; S437-A439 PolarHBondContact O-N 3.25Å; A439-E441 VanDerWaalsContact C-N 3.31Å; A439-E441 PolarHBondContact O-N 3.49Å; A439-S442 PolarHBondContact O-N 2.91Å; A439-S443 PolarHBondContact O-N 3.44Å; A439-S443 PolarHBondContact O-OG 3.16Å
440S52.2Low59.9Low30 Ų3082 Ų8221%0.2143%0.425CS..Hα-helixtrans-63.2-38.4173.585.70000111.8M436 S437 R444M436-S440 PolarHBondContact O-N 2.87Å; S437-S440 WeakPolarHBondContact O-CB 3.38Å; S437-S440 PolarHBondContact O-N 2.65Å; S437-S440 VanDerWaalsContact O-N 3.13Å; S437-S440 PolarHBondContact O-OG 3.02Å; S440-R444 WeakPolarHBondContact O-CB 3.25Å; S440-R444 VanDerWaalsContact O-CG 3.25Å; S440-R444 WeakPolarHBondContact O-CG 3.2Å; S440-R444 PolarHBondContact O-N 2.63Å; S440-R444 VanDerWaalsContact O-N 3.08Å
441E46.6Very low57.7Low83 Ų8382.2 Ų82.239%0.38844%0.44SS..Hα-helixtrans-69.6-35.8173.3-72.3177.4-164.900112.4S437 A439 R444 R445S437-E441 PolarHBondContact O-N 3.03Å; A439-E441 VanDerWaalsContact C-N 3.31Å; A439-E441 PolarHBondContact O-N 3.49Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-R445 VanDerWaalsContact O-CB 3.28Å; E441-R445 WeakPolarHBondContact O-CB 3.39Å; E441-R445 WeakPolarHBondContact O-CG 3.44Å; E441-R445 PolarHBondContact O-N 3.3Å; E441-R445 IonicContact OE2-NH1 2.73Å
442S45.8Very low55.8Low73 Ų7387 Ų8751%0.5146%0.459SS..Hα-helixtrans-70.6-42.4179.2-65.90000111.7L438 A439 R445 A446L438-S442 VanDerWaalsContact O-CB 3.25Å; L438-S442 WeakPolarHBondContact O-CB 3.29Å; L438-S442 PolarHBondContact O-N 3.31Å; L438-S442 PolarHBondContact O-OG 2.98Å; A439-S442 PolarHBondContact O-N 2.91Å; S442-R445 PolarHBondContact O-N 3.17Å; S442-A446 VanDerWaalsContact O-CB 3.3Å; S442-A446 WeakPolarHBondContact O-CB 3.22Å; S442-A446 PolarHBondContact O-N 3.19Å
443S50.2Low53.5Low72 Ų7294.4 Ų94.450%0.50349%0.494SS..Hα-helixtrans-63.6-39.4170.6-67.50000112.1A439 A447A439-S443 PolarHBondContact O-N 3.44Å; A439-S443 PolarHBondContact O-OG 3.16Å; S443-A447 WeakPolarHBondContact O-CB 3.31Å; S443-A447 PolarHBondContact O-N 3.22Å
444R49Very low51.5Low174 Ų17497 Ų9766%0.65752%0.515SS*.Hα-helixtrans-64.9-44.7173.6-77.4171.3170.7175.5-2.6112.4S440 E441 A447 L448S440-R444 WeakPolarHBondContact O-CB 3.25Å; S440-R444 VanDerWaalsContact O-CG 3.25Å; S440-R444 WeakPolarHBondContact O-CG 3.2Å; S440-R444 PolarHBondContact O-N 2.63Å; S440-R444 VanDerWaalsContact O-N 3.08Å; E441-R444 PolarHBondContact O-N 2.96Å; R444-A447 PolarHBondContact O-N 3.14Å; R444-L448 WeakPolarHBondContact O-CB 3.29Å; R444-L448 WeakPolarHBondContact O-CD1 3.18Å; R444-L448 VanDerWaalsContact O-CG 3.25Å; R444-L448 WeakPolarHBondContact O-CG 3.46Å; R444-L448 PolarHBondContact O-N 3.48Å
445R49.1Very low50Low139 Ų13994.3 Ų94.353%0.52552%0.518SS..Hα-helixtrans-64.2-42.2176-81.8176.9163.2135.2-5.3111.1E441 S442 L448 L449E441-R445 VanDerWaalsContact O-CB 3.28Å; E441-R445 WeakPolarHBondContact O-CB 3.39Å; E441-R445 WeakPolarHBondContact O-CG 3.44Å; E441-R445 PolarHBondContact O-N 3.3Å; E441-R445 IonicContact OE2-NH1 2.73Å; S442-R445 PolarHBondContact O-N 3.17Å; R445-L448 CarbonylContact O-C 3.56Å; R445-L448 PolarHBondContact O-N 3.16Å; R445-L448 VanDerWaalsContact O-N 3.13Å; R445-L449 HydrophobicContact CB-CD1 4.46Å; R445-L449 VanDerWaalsContact O-CB 3.28Å; R445-L449 WeakPolarHBondContact O-CB 3.27Å; R445-L449 VanDerWaalsContact O-CG 3.22Å; R445-L449 WeakPolarHBondContact O-CG 3.44Å; R445-L449 PolarHBondContact O-N 2.84Å
446A48.8Very low48.1Very low53 Ų5396.3 Ų96.344%0.43854%0.542SS..Hα-helixtrans-58.3-49.3173.700000111.3S442 L448 L449 T450S442-A446 VanDerWaalsContact O-CB 3.3Å; S442-A446 WeakPolarHBondContact O-CB 3.22Å; S442-A446 PolarHBondContact O-N 3.19Å; A446-L448 PolarHBondContact O-N 2.93Å; A446-L449 PolarHBondContact O-N 3.2Å; A446-L449 VanDerWaalsContact O-N 3.09Å; A446-T450 WeakPolarHBondContact O-CG2 3.42Å; A446-T450 PolarHBondContact O-N 3.12Å; A446-T450 PolarHBondContact O-OG1 3.02Å
447A49.6Very low46.6Very low65 Ų65103.8 Ų103.854%0.53758%0.583SS.*Hα-helixtrans-66.7-15.1176.900000114.9S443 R444S443-A447 WeakPolarHBondContact O-CB 3.31Å; S443-A447 PolarHBondContact O-N 3.22Å; R444-A447 PolarHBondContact O-N 3.14Å
448L48.6Very low45.6Very low144 Ų144107.2 Ų107.275%0.75459%0.59SS**Hα-helixtrans-95.1-19.1172.8-72.8166.7000113.3R444 R445 A446R444-L448 WeakPolarHBondContact O-CB 3.29Å; R444-L448 WeakPolarHBondContact O-CD1 3.18Å; R444-L448 VanDerWaalsContact O-CG 3.25Å; R444-L448 WeakPolarHBondContact O-CG 3.46Å; R444-L448 PolarHBondContact O-N 3.48Å; R445-L448 CarbonylContact O-C 3.56Å; R445-L448 PolarHBondContact O-N 3.16Å; R445-L448 VanDerWaalsContact O-N 3.13Å; A446-L448 PolarHBondContact O-N 2.93Å
449L49.3Very low44.7Very low139 Ų139116.6 Ų116.673%0.72862%0.622SS**Hα-helixtrans-106.4-22.4-176.5-70.2171000113.4R445 A446 P451R445-L449 HydrophobicContact CB-CD1 4.46Å; R445-L449 VanDerWaalsContact O-CB 3.28Å; R445-L449 WeakPolarHBondContact O-CB 3.27Å; R445-L449 VanDerWaalsContact O-CG 3.22Å; R445-L449 WeakPolarHBondContact O-CG 3.44Å; R445-L449 PolarHBondContact O-N 2.84Å; A446-L449 PolarHBondContact O-N 3.2Å; A446-L449 VanDerWaalsContact O-N 3.09Å; L449-P451 WeakPolarHBondContact O-CD 3.44Å
450T38.8Very low44.2Very low86 Ų86120 Ų12053%0.52864%0.641SS.*SBendtrans-56.7123.1162.746.30000108.3A446 K452A446-T450 WeakPolarHBondContact O-CG2 3.42Å; A446-T450 PolarHBondContact O-N 3.12Å; A446-T450 PolarHBondContact O-OG1 3.02Å; T450-K452 PolarHBondContact O-N 3.41Å
451P37.6Very low44.1Very low116 Ų116122.6 Ų122.675%0.75367%0.665SS**  trans-55.8119.4167.8-21.633000107.6L449 Q453L449-P451 WeakPolarHBondContact O-CD 3.44Å; P451-Q453 VanDerWaalsContact C-N 3.3Å; P451-Q453 PolarHBondContact O-N 3.46Å
452K45.2Very low44.4Very low194 Ų194121.6 Ų121.684%0.84367%0.67SS**  trans-61.2102.4164.2-72-177.7178.7178.80105.5T450T450-K452 PolarHBondContact O-N 3.41Å
453Q39Very low44.6Very low167 Ų167122.6 Ų122.678%0.7868%0.683SS**  trans-51134.2170.3-79.3-166.2-18.700107.3P451 V455P451-Q453 VanDerWaalsContact C-N 3.3Å; P451-Q453 PolarHBondContact O-N 3.46Å; Q453-V455 PolarHBondContact O-N 3.24Å
454P37.9Very low44.7Very low121 Ų121123.4 Ų123.479%0.78670%0.695SS**  trans-61.3106.4179.424.9-32.6000107.8A456P454-A456 VanDerWaalsContact C-N 3.3Å; P454-A456 PolarHBondContact O-N 2.62Å
455V40.8Very low44.9Very low120 Ų120117.3 Ų117.373%0.72768%0.681SS**  trans-66.994.2-178.71790000107.5Q453 N457Q453-V455 PolarHBondContact O-N 3.24Å; V455-N457 PolarHBondContact O-N 2.76Å
456A38.9Very low45.4Very low86 Ų86121 Ų12171%0.71170%0.695SS**  trans-64.6101.6-169.200000110.7P454 Q458P454-A456 VanDerWaalsContact C-N 3.3Å; P454-A456 PolarHBondContact O-N 2.62Å; A456-Q458 VanDerWaalsContact C-N 3.31Å; A456-Q458 PolarHBondContact O-N 3.03Å; A456-Q458 VanDerWaalsContact O-N 3.08Å
457N38.4Very low46.3Very low172 Ų172125.1 Ų125.192%0.9270%0.7SS**SBendtrans49.736.5165.5-67.2-21.6000117.1V455V455-N457 PolarHBondContact O-N 2.76Å
458Q40.2Very low47.6Very low146 Ų146128.7 Ų128.768%0.68270%0.704SS**  trans-102.693.7164.1-65.8-162.77.700111.1A456 T460A456-Q458 VanDerWaalsContact C-N 3.31Å; A456-Q458 PolarHBondContact O-N 3.03Å; A456-Q458 VanDerWaalsContact O-N 3.08Å; Q458-T460 HydrophobicContact CB-CG2 4.34Å; Q458-T460 PolarHBondContact O-N 2.88Å
459R40.2Very low48.8Very low253 Ų253126 Ų12696%0.95570%0.697SS**  trans-70.674.4168.6-80178.4159179.9-6.1110.4A461R459-A461 PolarHBondContact O-N 2.78Å; R459-A461 VanDerWaalsContact O-N 3.1Å
460T42.3Very low49.8Very low86 Ų86123.4 Ų123.453%0.52869%0.687SS.*  trans-74.598.6177.348.60000110.8Q458 A462 A463Q458-T460 HydrophobicContact CB-CG2 4.34Å; Q458-T460 PolarHBondContact O-N 2.88Å; T460-A462 PolarHBondContact O-N 3.39Å; T460-A463 PolarHBondContact O-N 2.92Å
461A50.1Low51.6Low86 Ų86121.8 Ų121.871%0.71167%0.674SS**G310 helixtrans-54.3-23.7179.800000113.9R459 A463 A464R459-A461 PolarHBondContact O-N 2.78Å; R459-A461 VanDerWaalsContact O-N 3.1Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.4Å; A461-A464 PolarHBondContact O-N 3.13Å; A461-A464 VanDerWaalsContact O-N 3.16Å
462A53.4Low53.4Low61 Ų61119 Ų11950%0.50465%0.653SS.*G310 helixtrans-55.2-33.7174.300000114.1T460 A464 A465T460-A462 PolarHBondContact O-N 3.39Å; A462-A464 PolarHBondContact O-N 3.26Å; A462-A465 VanDerWaalsContact O-CB 3.24Å; A462-A465 WeakPolarHBondContact O-CB 3.13Å; A462-A465 PolarHBondContact O-N 3.01Å; A462-A465 VanDerWaalsContact O-N 3.11Å
463A48.2Very low54.8Low94 Ų94113.2 Ų113.278%0.77764%0.637SS**G310 helixtrans-70.2-17.3-179.200000113.7T460 A461T460-A463 PolarHBondContact O-N 2.92Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.4Å
464A52.8Low56.4Low90 Ų90110.1 Ų110.174%0.74463%0.625SS**G310 helixtrans-98.82.9173.900000112.9A461 A462 R466A461-A464 PolarHBondContact O-N 3.13Å; A461-A464 VanDerWaalsContact O-N 3.16Å; A462-A464 PolarHBondContact O-N 3.26Å; A464-R466 PolarHBondContact O-N 3.11Å
465A54.7Low58.4Low45 Ų45109.1 Ų109.137%0.37261%0.61SS.*  trans-69.5114-178.400000111A462 Y467A462-A465 VanDerWaalsContact O-CB 3.24Å; A462-A465 WeakPolarHBondContact O-CB 3.13Å; A462-A465 PolarHBondContact O-N 3.01Å; A462-A465 VanDerWaalsContact O-N 3.11Å; A465-Y467 HydrophobicContact CB-CE1 4.37Å; A465-Y467 HydrophobicContact CB-CE2 4.05Å; A465-Y467 WeakPolarHBondContact O-CD2 3.45Å; A465-Y467 WeakPolarHBondContact O-CE2 3.34Å; A465-Y467 PolarHBondContact O-N 2.92Å
466R58.4Low60.2Low217 Ų217109.1 Ų109.182%0.81960%0.602SS**  trans-77.686.1177.2-167.9177-174.3-175.30.3110A464 K468 I471A464-R466 PolarHBondContact O-N 3.11Å; R466-K468 PolarHBondContact O-N 3.5Å; R466-I471 HydrophobicContact CG-CD1 3.52Å
467Y68.9Low62.2Low140 Ų140111.6 Ų111.655%0.54960%0.598SS.*  trans-6291.4-179.8-62.8-78.4000112.1A465 S469 V470 I471A465-Y467 HydrophobicContact CB-CE1 4.37Å; A465-Y467 HydrophobicContact CB-CE2 4.05Å; A465-Y467 WeakPolarHBondContact O-CD2 3.45Å; A465-Y467 WeakPolarHBondContact O-CE2 3.34Å; A465-Y467 PolarHBondContact O-N 2.92Å; Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.33Å; Y467-V470 PolarHBondContact O-N 3.42Å; Y467-I471 PolarHBondContact O-N 2.91Å
468K75.5Confident64.4Low139 Ų139107 Ų10760%0.60457%0.57SS**Hα-helixtrans-53.5-43.9-177176.8167169.451.90112.3R466 V470 I471 D472R466-K468 PolarHBondContact O-N 3.5Å; K468-V470 VanDerWaalsContact C-N 3.27Å; K468-V470 PolarHBondContact O-N 3.28Å; K468-I471 PolarHBondContact O-N 3.07Å; K468-I471 VanDerWaalsContact O-N 3.13Å; K468-D472 VanDerWaalsContact CE-OD2 3.32Å; K468-D472 WeakPolarHBondContact CE-OD2 3.47Å; K468-D472 VanDerWaalsContact CG-OD2 3.23Å; K468-D472 WeakPolarHBondContact CG-OD2 3.33Å; K468-D472 VanDerWaalsContact NZ-CG 3.33Å; K468-D472 IonicContact NZ-OD1 3.02Å; K468-D472 PolarHBondContact NZ-OD1 3.13Å; K468-D472 IonicContact NZ-OD2 3.31Å; K468-D472 PolarHBondContact NZ-OD2 3.15Å; K468-D472 WeakPolarHBondContact O-CB 3.35Å; K468-D472 PolarHBondContact O-N 3.45Å
469S73.7Confident66.5Low88 Ų88102.3 Ų102.362%0.61555%0.549SS*.Hα-helixtrans-57.8-32.1176.5520000114.7Y467 S473Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.33Å; S469-S473 WeakPolarHBondContact O-CB 3.34Å; S469-S473 PolarHBondContact O-N 2.96Å
470V71.9Confident68.7Low84 Ų8494.4 Ų94.451%0.50952%0.523SS..Hα-helixtrans-76.7-39.5177.2-179.40000110.9Y467 K468 L474Y467-V470 PolarHBondContact O-N 3.42Å; K468-V470 VanDerWaalsContact C-N 3.27Å; K468-V470 PolarHBondContact O-N 3.28Å; V470-L474 WeakPolarHBondContact O-CG 3.5Å; V470-L474 PolarHBondContact O-N 2.99Å; V470-L474 VanDerWaalsContact O-N 3.11Å
471I75.3Confident70.8Confident53 Ų5390.3 Ų90.327%0.27250%0.498SS..Hα-helixtrans-67.5-46.4175.9-61.3177.7000110.3R466 Y467 K468 S473 L474 H475R466-I471 HydrophobicContact CG-CD1 3.52Å; Y467-I471 PolarHBondContact O-N 2.91Å; K468-I471 PolarHBondContact O-N 3.07Å; K468-I471 VanDerWaalsContact O-N 3.13Å; I471-S473 PolarHBondContact O-N 2.97Å; I471-L474 WeakPolarHBondContact O-CB 3.46Å; I471-L474 PolarHBondContact O-N 3.43Å; I471-L474 VanDerWaalsContact O-N 3.12Å; I471-H475 PolarHBondContact O-N 3.36Å
472D76.3Confident72.3Confident58 Ų5888.9 Ų88.931%0.3148%0.483SS..Hα-helixtrans-57.4-50.4175.4-65.6-8.1000108.8K468 L474 H475 Q476K468-D472 VanDerWaalsContact CE-OD2 3.32Å; K468-D472 WeakPolarHBondContact CE-OD2 3.47Å; K468-D472 VanDerWaalsContact CG-OD2 3.23Å; K468-D472 WeakPolarHBondContact CG-OD2 3.33Å; K468-D472 VanDerWaalsContact NZ-CG 3.33Å; K468-D472 IonicContact NZ-OD1 3.02Å; K468-D472 PolarHBondContact NZ-OD1 3.13Å; K468-D472 IonicContact NZ-OD2 3.31Å; K468-D472 PolarHBondContact NZ-OD2 3.15Å; K468-D472 WeakPolarHBondContact O-CB 3.35Å; K468-D472 PolarHBondContact O-N 3.45Å; D472-L474 VanDerWaalsContact C-N 3.25Å; D472-L474 PolarHBondContact O-N 3.06Å; D472-L474 VanDerWaalsContact O-N 3.14Å; D472-H475 CarbonylContact O-C 3.59Å; D472-H475 PolarHBondContact O-N 2.94Å; D472-Q476 WeakPolarHBondContact O-CB 3.37Å; D472-Q476 PolarHBondContact O-N 2.71Å
473S75Confident73.4Confident71 Ų7190.1 Ų90.150%0.49748%0.484SS..Hα-helixtrans-57.8-28.8176.1-173.80000114.8S469 I471 H475 K478S469-S473 WeakPolarHBondContact O-CB 3.34Å; S469-S473 PolarHBondContact O-N 2.96Å; I471-S473 PolarHBondContact O-N 2.97Å; S473-H475 VanDerWaalsContact C-N 3.35Å; S473-K478 PolarHBondContact O-NZ 3.02Å
474L72.4Confident75Confident103 Ų10388.6 Ų88.654%0.53947%0.467SS..Hα-helixtrans-73.3-24.9173.7-74.4169000113.2V470 I471 D472 K478 R487V470-L474 WeakPolarHBondContact O-CG 3.5Å; V470-L474 PolarHBondContact O-N 2.99Å; V470-L474 VanDerWaalsContact O-N 3.11Å; I471-L474 WeakPolarHBondContact O-CB 3.46Å; I471-L474 PolarHBondContact O-N 3.43Å; I471-L474 VanDerWaalsContact O-N 3.12Å; D472-L474 VanDerWaalsContact C-N 3.25Å; D472-L474 PolarHBondContact O-N 3.06Å; D472-L474 VanDerWaalsContact O-N 3.14Å; L474-K478 WeakPolarHBondContact O-CD 3.39Å; L474-R487 VanDerWaalsContact O-CD 3.24Å; L474-R487 WeakPolarHBondContact O-CD 3.41Å
475H79.8Confident76.4Confident99 Ų9985.8 Ų85.846%0.45845%0.447SS..Hα-helixtrans-106.5-35.4-174.3-68-173.7000113.6I471 D472 S473 K478 R487I471-H475 PolarHBondContact O-N 3.36Å; D472-H475 CarbonylContact O-C 3.59Å; D472-H475 PolarHBondContact O-N 2.94Å; S473-H475 VanDerWaalsContact C-N 3.35Å; H475-K478 PolarHBondContact O-N 3.24Å; H475-R487 PolarHBondContact CD2-NE 3.2Å; H475-R487 PolarHBondContact CD2-NH2 3.15Å; H475-R487 PolarHBondContact NE2-NH2 3.15Å
476Q78.7Confident77.7Confident121 Ų12189 Ų8957%0.56546%0.456SS*.THydrogen-bonded Turntrans-61.2138.8-175.9-139.4172.36.200111.1D472 K478D472-Q476 WeakPolarHBondContact O-CB 3.37Å; D472-Q476 PolarHBondContact O-N 2.71Å; Q476-K478 PolarHBondContact O-N 2.66Å; Q476-K478 VanDerWaalsContact O-N 3.16Å
477H80.2Confident78.9Confident137 Ų13782.9 Ų82.963%0.63443%0.433SS*.THydrogen-bonded Turntrans53.528.8-179.1-53-80.5000115V490H477-V490 VanDerWaalsContact C-CG2 3.48Å; H477-V490 WeakPolarHBondContact O-CG2 3.34Å; H477-V490 PolarHBondContact O-N 3.26Å
478K84.6Confident79.7Confident77 Ų7777.3 Ų77.334%0.33541%0.412SS..EExtended strand (participates in β ladder)trans-132.1120.4-179.4-69.5157.1-171.8165.50114.1S473 L474 H475 Q476 R487 F488S473-K478 PolarHBondContact O-NZ 3.02Å; L474-K478 WeakPolarHBondContact O-CD 3.39Å; H475-K478 PolarHBondContact O-N 3.24Å; Q476-K478 PolarHBondContact O-N 2.66Å; Q476-K478 VanDerWaalsContact O-N 3.16Å; K478-R487 HydrophobicContact CB-CB 4.26Å; K478-F488 CarbonylContact C-O 3.13Å; K478-F488 WeakPolarHBondContact CA-O 3.11Å
479I83.7Confident80Confident46 Ų4673.6 Ų73.624%0.23640%0.401CS..EExtended strand (participates in β ladder)trans-72.6134.1171.2-53.5174.1000109.1R487 F488 V490 Y496I479-R487 CarbonylContact O-C 3.59Å; I479-R487 WeakPolarHBondContact O-CA 3.36Å; I479-F488 PolarHBondContact N-O 2.64Å; I479-F488 PolarHBondContact O-N 3.37Å; I479-V490 HydrophobicContact CD1-CG2 4.45Å; I479-V490 HydrophobicContact CG1-CB 4.43Å; I479-V490 HydrophobicContact CG1-CG2 3.76Å; I479-Y496 HydrophobicContact CD1-CD1 4.26Å; I479-Y496 HydrophobicContact CG2-CD1 4.05Å; I479-Y496 HydrophobicContact CG2-CD2 4.35Å; I479-Y496 HydrophobicContact CG2-CE1 3.63Å; I479-Y496 HydrophobicContact CG2-CE2 3.97Å; I479-Y496 HydrophobicContact CG2-CG 4.39Å
480Q87.7Confident80.4Confident87 Ų8772.4 Ų72.441%0.40739%0.39SS..EExtended strand (participates in β ladder)trans-105.4127.9176.7-175.9177.2-16.500110.8S482 R487Q480-S482 PolarHBondContact O-N 2.9Å; Q480-R487 HydrophobicContact CB-CG 4.34Å; Q480-R487 HydrophobicContact CG-CG 4.38Å; Q480-R487 VanDerWaalsContact OE1-CZ 3.23Å; Q480-R487 VanDerWaalsContact OE1-NH1 3.16Å
481C84.5Confident80.9Confident1 Ų175.3 Ų75.31%0.00740%0.403CS..  trans-66.2128.1172.2-178.80000111T483 G485 M486 F488 Y496 H499C481-T483 VanDerWaalsContact C-N 3.32Å; C481-T483 PolarHBondContact O-N 3.45Å; C481-T483 PolarHBondContact SG-N 3Å; C481-T483 VanDerWaalsContact SG-N 3.45Å; C481-G485 VanDerWaalsContact O-CA 3.25Å; C481-G485 WeakPolarHBondContact O-CA 3.32Å; C481-G485 PolarHBondContact O-N 2.98Å; C481-M486 PolarHBondContact N-O 2.98Å; C481-F488 HydrophobicContact CB-CE2 4.4Å; C481-Y496 HydrophobicContact CB-CE2 4.13Å; C481-H499 VanDerWaalsContact CB-NE2 3.32Å; C481-H499 WeakPolarHBondContact CB-NE2 3.45Å; C481-H499 PolarHBondContact SG-NE2 2.93Å
482S82.4Confident81Confident56 Ų5674.4 Ų74.439%0.39240%0.399SS..THydrogen-bonded Turntrans-67-29.6179.356.40000113.6Q480Q480-S482 PolarHBondContact O-N 2.9Å
483T76Confident81.1Confident87 Ų8776 Ų7653%0.53441%0.407SS..THydrogen-bonded Turntrans-85.3-35.7-174.6-43.40000113.6C481 H503C481-T483 VanDerWaalsContact C-N 3.32Å; C481-T483 PolarHBondContact O-N 3.45Å; C481-T483 PolarHBondContact SG-N 3Å; C481-T483 VanDerWaalsContact SG-N 3.45Å; T483-H503 VanDerWaalsContact CG2-CE1 3.41Å; T483-H503 WeakPolarHBondContact CG2-CE1 3.32Å
484C83.2Confident81.4Confident62 Ų6276.1 Ų76.142%0.41941%0.405SS..THydrogen-bonded Turntrans-126.3-8.4-176.971.30000115.6M486 H499C484-M486 VanDerWaalsContact C-N 3.31Å; C484-M486 PolarHBondContact O-N 3.29Å; C484-M486 VanDerWaalsContact SG-CG 3.57Å; C484-H499 PolarHBondContact SG-CE1 3.27Å; C484-H499 PolarHBondContact SG-NE2 3.4Å
485G82.4Confident81.4Confident31 Ų3177.2 Ų77.232%0.3241%0.405SS..  trans79.5-2.3179.800000116.5C481 R487C481-G485 VanDerWaalsContact O-CA 3.25Å; C481-G485 WeakPolarHBondContact O-CA 3.32Å; C481-G485 PolarHBondContact O-N 2.98Å; G485-R487 PolarHBondContact O-N 2.62Å
486M82Confident81.8Confident113 Ų11374.5 Ų74.556%0.55739%0.391SS*.  trans-58.1136.2175-73.8-68.7-7500111.6C481 C484 F488C481-M486 PolarHBondContact N-O 2.98Å; C484-M486 VanDerWaalsContact C-N 3.31Å; C484-M486 PolarHBondContact O-N 3.29Å; C484-M486 VanDerWaalsContact SG-CG 3.57Å; M486-F488 HydrophobicContact CB-CE2 3.61Å; M486-F488 HydrophobicContact CB-CZ 4.02Å
487R83.7Confident82Confident88 Ų8871.4 Ų71.433%0.33239%0.386SS..EExtended strand (participates in β ladder)trans-102.6131.7179.2-69-170.4-176.7-73.9-3.3111.4L474 H475 K478 I479 Q480 G485L474-R487 VanDerWaalsContact O-CD 3.24Å; L474-R487 WeakPolarHBondContact O-CD 3.41Å; H475-R487 PolarHBondContact CD2-NE 3.2Å; H475-R487 PolarHBondContact CD2-NH2 3.15Å; H475-R487 PolarHBondContact NE2-NH2 3.15Å; K478-R487 HydrophobicContact CB-CB 4.26Å; I479-R487 CarbonylContact O-C 3.59Å; I479-R487 WeakPolarHBondContact O-CA 3.36Å; Q480-R487 HydrophobicContact CB-CG 4.34Å; Q480-R487 HydrophobicContact CG-CG 4.38Å; Q480-R487 VanDerWaalsContact OE1-CZ 3.23Å; Q480-R487 VanDerWaalsContact OE1-NH1 3.16Å; G485-R487 PolarHBondContact O-N 2.62Å
488F84.5Confident82.2Confident23 Ų2371.9 Ų71.910%0.10139%0.386CS..EExtended strand (participates in β ladder)trans-122.7142.8-179.1-61.1-96.9000109.5K478 I479 C481 M486 K495 Y496 H499K478-F488 CarbonylContact C-O 3.13Å; K478-F488 WeakPolarHBondContact CA-O 3.11Å; I479-F488 PolarHBondContact N-O 2.64Å; I479-F488 PolarHBondContact O-N 3.37Å; C481-F488 HydrophobicContact CB-CE2 4.4Å; M486-F488 HydrophobicContact CB-CE2 3.61Å; M486-F488 HydrophobicContact CB-CZ 4.02Å; F488-K495 HydrophobicContact CD1-CB 3.96Å; F488-K495 HydrophobicContact CE1-CB 4.3Å; F488-Y496 HydrophobicContact CB-CD2 4.44Å; F488-Y496 AromaticContact CD2-CD2 3.56Å; F488-Y496 HydrophobicContact CD2-CD2 3.56Å; F488-Y496 HydrophobicContact CD2-CE2 4.25Å; F488-Y496 HydrophobicContact CD2-CG 4.48Å; F488-Y496 AromaticContact CE2-CD2 3.97Å; F488-Y496 HydrophobicContact CE2-CD2 3.97Å; F488-Y496 HydrophobicContact CG-CD2 4.01Å; F488-H499 HydrophobicContact CE1-CB 4Å; F488-H499 HydrophobicContact CE2-CB 4.36Å; F488-H499 AromaticContact CE2-CD2 3.39Å; F488-H499 WeakPolarHBondContact CE2-CD2 3.3Å; F488-H499 AromaticContact CE2-CG 3.91Å; F488-H499 AromaticContact CE2-NE2 3.97Å; F488-H499 HydrophobicContact CZ-CB 3.6Å; F488-H499 AromaticContact CZ-CD2 3.39Å; F488-H499 WeakPolarHBondContact CZ-CD2 3.35Å; F488-H499 AromaticContact CZ-CG 3.38Å
489P81.6Confident82.2Confident60 Ų6069.5 Ų69.539%0.3938%0.376SS..EExtended strand (participates in β ladder)trans-55.8140.9171.5-2233000111.2D491 D492P489-D491 PolarHBondContact O-N 3.31Å; P489-D492 HydrophobicContact CB-CB 4.17Å; P489-D492 HydrophobicContact CG-CB 4.33Å; P489-D492 PolarHBondContact O-N 2.84Å
490V82Confident82.3Confident63 Ų6369.9 Ų69.938%0.38238%0.378SS..THydrogen-bonded Turntrans-57.8-33176.8167.60000111.7H477 I479 D492 N493H477-V490 VanDerWaalsContact C-CG2 3.48Å; H477-V490 WeakPolarHBondContact O-CG2 3.34Å; H477-V490 PolarHBondContact O-N 3.26Å; I479-V490 HydrophobicContact CD1-CG2 4.45Å; I479-V490 HydrophobicContact CG1-CB 4.43Å; I479-V490 HydrophobicContact CG1-CG2 3.76Å; V490-D492 VanDerWaalsContact C-N 3.3Å; V490-D492 PolarHBondContact O-N 2.92Å; V490-N493 PolarHBondContact O-ND2 3.08Å; V490-N493 VanDerWaalsContact O-ND2 3.08Å
491D82Confident82.1Confident145 Ų14569.4 Ų69.478%0.77538%0.379SS*.THydrogen-bonded Turntrans-75.7-17.1179.5-42.3-69.4000113P489 N493P489-D491 PolarHBondContact O-N 3.31Å; D491-N493 PolarHBondContact O-N 3.08Å
492D78.8Confident82Confident34 Ų3475.6 Ų75.618%0.18240%0.402CS..  trans-102.354.8-178-158.1-23.2000112.4P489 V490 V494 K495 Y496P489-D492 HydrophobicContact CB-CB 4.17Å; P489-D492 HydrophobicContact CG-CB 4.33Å; P489-D492 PolarHBondContact O-N 2.84Å; V490-D492 VanDerWaalsContact C-N 3.3Å; V490-D492 PolarHBondContact O-N 2.92Å; D492-V494 PolarHBondContact O-N 2.95Å; D492-V494 VanDerWaalsContact O-N 3.12Å; D492-K495 PolarHBondContact O-N 3.21Å; D492-K495 WeakPolarHBondContact OD1-CB 3.35Å; D492-K495 WeakPolarHBondContact OD1-CG 3.32Å; D492-K495 PolarHBondContact OD1-N 3.04Å; D492-K495 WeakPolarHBondContact OD2-CD 3.47Å; D492-K495 VanDerWaalsContact OD2-CE 3.26Å; D492-K495 WeakPolarHBondContact OD2-CE 3.31Å; D492-K495 WeakPolarHBondContact OD2-CG 3.18Å; D492-K495 IonicContact OD2-NZ 2.79Å; D492-K495 PolarHBondContact OD2-NZ 3.45Å; D492-Y496 PolarHBondContact O-N 3.11Å
493N77.9Confident82.1Confident93 Ų9374 Ų7450%0.49739%0.388SS..Hα-helixtrans-56.8-23.5173-75-58.5000112.6V490 D491 A497V490-N493 PolarHBondContact O-ND2 3.08Å; V490-N493 VanDerWaalsContact O-ND2 3.08Å; D491-N493 PolarHBondContact O-N 3.08Å; N493-A497 WeakPolarHBondContact O-CB 3.23Å; N493-A497 PolarHBondContact O-N 3.1Å
494V80.7Confident82Confident72 Ų7276.9 Ų76.944%0.43639%0.394SS..Hα-helixtrans-69.8-44.6177.7-179.10000111.5D492 K498D492-V494 PolarHBondContact O-N 2.95Å; D492-V494 VanDerWaalsContact O-N 3.12Å; V494-K498 HydrophobicContact CG1-CD 4.3Å; V494-K498 WeakPolarHBondContact O-CB 3.05Å; V494-K498 VanDerWaalsContact O-CG 3.29Å; V494-K498 WeakPolarHBondContact O-CG 3.24Å; V494-K498 PolarHBondContact O-N 3.4Å; V494-K498 VanDerWaalsContact O-N 3.16Å
495K73.8Confident81.6Confident127 Ų12779.6 Ų79.655%0.55240%0.398SS*.Hα-helixtrans-67.1-40.4173-73.6-175-167.9118.10111.5F488 D492 K498 H499F488-K495 HydrophobicContact CD1-CB 3.96Å; F488-K495 HydrophobicContact CE1-CB 4.3Å; D492-K495 PolarHBondContact O-N 3.21Å; D492-K495 WeakPolarHBondContact OD1-CB 3.35Å; D492-K495 WeakPolarHBondContact OD1-CG 3.32Å; D492-K495 PolarHBondContact OD1-N 3.04Å; D492-K495 WeakPolarHBondContact OD2-CD 3.47Å; D492-K495 VanDerWaalsContact OD2-CE 3.26Å; D492-K495 WeakPolarHBondContact OD2-CE 3.31Å; D492-K495 WeakPolarHBondContact OD2-CG 3.18Å; D492-K495 IonicContact OD2-NZ 2.79Å; D492-K495 PolarHBondContact OD2-NZ 3.45Å; K495-K498 PolarHBondContact O-N 3.27Å; K495-H499 WeakPolarHBondContact O-CB 3.17Å; K495-H499 PolarHBondContact O-N 3.36Å
496Y86.6Confident80.8Confident42 Ų4281.5 Ų81.517%0.16540%0.4CS..Hα-helixtrans-64.6-46178.9-174.1-125.1000112.2I479 C481 F488 D492 K498 H499 L500I479-Y496 HydrophobicContact CD1-CD1 4.26Å; I479-Y496 HydrophobicContact CG2-CD1 4.05Å; I479-Y496 HydrophobicContact CG2-CD2 4.35Å; I479-Y496 HydrophobicContact CG2-CE1 3.63Å; I479-Y496 HydrophobicContact CG2-CE2 3.97Å; I479-Y496 HydrophobicContact CG2-CG 4.39Å; C481-Y496 HydrophobicContact CB-CE2 4.13Å; F488-Y496 HydrophobicContact CB-CD2 4.44Å; F488-Y496 AromaticContact CD2-CD2 3.56Å; F488-Y496 HydrophobicContact CD2-CD2 3.56Å; F488-Y496 HydrophobicContact CD2-CE2 4.25Å; F488-Y496 HydrophobicContact CD2-CG 4.48Å; F488-Y496 AromaticContact CE2-CD2 3.97Å; F488-Y496 HydrophobicContact CE2-CD2 3.97Å; F488-Y496 HydrophobicContact CG-CD2 4.01Å; D492-Y496 PolarHBondContact O-N 3.11Å; Y496-K498 PolarHBondContact O-N 3.28Å; Y496-H499 WeakPolarHBondContact O-CB 3.44Å; Y496-H499 PolarHBondContact O-N 3.19Å; Y496-H499 VanDerWaalsContact O-N 3.14Å; Y496-L500 HydrophobicContact CD1-CD1 4.24Å; Y496-L500 HydrophobicContact CE1-CD1 3.77Å; Y496-L500 HydrophobicContact CE1-CG 4.37Å; Y496-L500 HydrophobicContact CE2-CD2 4.15Å; Y496-L500 HydrophobicContact CE2-CG 4.25Å; Y496-L500 PolarHBondContact O-N 3.28Å
497A83.9Confident80.4Confident55 Ų5579.3 Ų79.346%0.45539%0.39SS..Hα-helixtrans-59.5-48.2175.900000112N493 H499 L500 D501N493-A497 WeakPolarHBondContact O-CB 3.23Å; N493-A497 PolarHBondContact O-N 3.1Å; A497-H499 PolarHBondContact O-N 2.88Å; A497-L500 PolarHBondContact O-N 3.03Å; A497-D501 WeakPolarHBondContact O-CB 3.4Å; A497-D501 PolarHBondContact O-N 2.89Å
498K83.6Confident79.8Confident147 Ų14784.4 Ų84.464%0.63941%0.41SS*.Hα-helixtrans-57.7-33.2175.7-75.3173.9-179.81780112.9V494 K495 Y496 D501 W502V494-K498 HydrophobicContact CG1-CD 4.3Å; V494-K498 WeakPolarHBondContact O-CB 3.05Å; V494-K498 VanDerWaalsContact O-CG 3.29Å; V494-K498 WeakPolarHBondContact O-CG 3.24Å; V494-K498 PolarHBondContact O-N 3.4Å; V494-K498 VanDerWaalsContact O-N 3.16Å; K495-K498 PolarHBondContact O-N 3.27Å; Y496-K498 PolarHBondContact O-N 3.28Å; K498-D501 WeakPolarHBondContact O-CB 3.3Å; K498-W502 PolarHBondContact O-N 2.97Å; K498-W502 VanDerWaalsContact O-N 3.11Å
499H86.2Confident78.9Confident27 Ų2792.4 Ų92.413%0.12544%0.439CS..Hα-helixtrans-74.9-39177.4170.861.8000113.1C481 C484 F488 K495 Y496 A497 D501 W502 H503C481-H499 VanDerWaalsContact CB-NE2 3.32Å; C481-H499 WeakPolarHBondContact CB-NE2 3.45Å; C481-H499 PolarHBondContact SG-NE2 2.93Å; C484-H499 PolarHBondContact SG-CE1 3.27Å; C484-H499 PolarHBondContact SG-NE2 3.4Å; F488-H499 HydrophobicContact CE1-CB 4Å; F488-H499 HydrophobicContact CE2-CB 4.36Å; F488-H499 AromaticContact CE2-CD2 3.39Å; F488-H499 WeakPolarHBondContact CE2-CD2 3.3Å; F488-H499 AromaticContact CE2-CG 3.91Å; F488-H499 AromaticContact CE2-NE2 3.97Å; F488-H499 HydrophobicContact CZ-CB 3.6Å; F488-H499 AromaticContact CZ-CD2 3.39Å; F488-H499 WeakPolarHBondContact CZ-CD2 3.35Å; F488-H499 AromaticContact CZ-CG 3.38Å; K495-H499 WeakPolarHBondContact O-CB 3.17Å; K495-H499 PolarHBondContact O-N 3.36Å; Y496-H499 WeakPolarHBondContact O-CB 3.44Å; Y496-H499 PolarHBondContact O-N 3.19Å; Y496-H499 VanDerWaalsContact O-N 3.14Å; A497-H499 PolarHBondContact O-N 2.88Å; H499-D501 VanDerWaalsContact C-N 3.33Å; H499-W502 WeakPolarHBondContact O-CB 3.32Å; H499-W502 PolarHBondContact O-N 3.27Å; H499-H503 AromaticContact CE1-CD2 3.54Å; H499-H503 AromaticContact CE1-NE2 3.31Å; H499-H503 PolarHBondContact CE1-NE2 2.9Å; H499-H503 VanDerWaalsContact CE1-NE2 3.31Å; H499-H503 AromaticContact NE2-CD2 3.65Å; H499-H503 AromaticContact NE2-NE2 3.52Å; H499-H503 PolarHBondContact O-N 3.49Å
500L83.9Confident77.8Confident54 Ų5495.9 Ų95.928%0.28345%0.45SS..Hα-helixtrans-63.4-41.5169.8-64.3179000111.2Y496 A497 W502 H503 F504Y496-L500 HydrophobicContact CD1-CD1 4.24Å; Y496-L500 HydrophobicContact CE1-CD1 3.77Å; Y496-L500 HydrophobicContact CE1-CG 4.37Å; Y496-L500 HydrophobicContact CE2-CD2 4.15Å; Y496-L500 HydrophobicContact CE2-CG 4.25Å; Y496-L500 PolarHBondContact O-N 3.28Å; A497-L500 PolarHBondContact O-N 3.03Å; L500-W502 VanDerWaalsContact C-N 3.25Å; L500-W502 PolarHBondContact O-N 3.21Å; L500-H503 WeakPolarHBondContact O-CB 3.37Å; L500-H503 PolarHBondContact O-N 2.92Å; L500-H503 VanDerWaalsContact O-N 3.07Å; L500-F504 WeakPolarHBondContact O-CD2 3.43Å; L500-F504 PolarHBondContact O-N 3.46Å
501D84.1Confident76.9Confident78 Ų78101.6 Ų101.642%0.41747%0.47SS..Hα-helixtrans-56.8-37.8174.8-128.134.7000112.5A497 K498 H499 F504 K505A497-D501 WeakPolarHBondContact O-CB 3.4Å; A497-D501 PolarHBondContact O-N 2.89Å; K498-D501 WeakPolarHBondContact O-CB 3.3Å; H499-D501 VanDerWaalsContact C-N 3.33Å; D501-F504 PolarHBondContact O-N 3.28Å; D501-K505 WeakPolarHBondContact O-CB 3.31Å; D501-K505 VanDerWaalsContact O-CD 3.29Å; D501-K505 WeakPolarHBondContact O-CD 3.37Å; D501-K505 WeakPolarHBondContact O-CG 3.25Å; D501-K505 PolarHBondContact O-N 2.97Å; D501-K505 WeakPolarHBondContact OD2-CE 3.5Å; D501-K505 IonicContact OD2-NZ 2.83Å; D501-K505 PolarHBondContact OD2-NZ 3.07Å
502W81.9Confident75.8Confident131 Ų13198.7 Ų98.750%0.49646%0.461SS..Hα-helixtrans-66.1-43.2174.1174.187000112K498 H499 L500 F504 K505 M506K498-W502 PolarHBondContact O-N 2.97Å; K498-W502 VanDerWaalsContact O-N 3.11Å; H499-W502 WeakPolarHBondContact O-CB 3.32Å; H499-W502 PolarHBondContact O-N 3.27Å; L500-W502 VanDerWaalsContact C-N 3.25Å; L500-W502 PolarHBondContact O-N 3.21Å; W502-F504 PolarHBondContact O-N 2.75Å; W502-K505 PolarHBondContact O-N 3.31Å; W502-M506 HydrophobicContact CD2-CG 4.3Å; W502-M506 HydrophobicContact CZ2-CE 3.81Å; W502-M506 HydrophobicContact CZ2-CG 4Å; W502-M506 PolarHBondContact O-N 2.89Å
503H84.3Confident74.4Confident21 Ų21100.4 Ų100.410%0.09748%0.48CS..Hα-helixtrans-60.9-42.8173.2-84.2-66.1000112.3T483 H499 L500 K505 M506 N507T483-H503 VanDerWaalsContact CG2-CE1 3.41Å; T483-H503 WeakPolarHBondContact CG2-CE1 3.32Å; H499-H503 AromaticContact CE1-CD2 3.54Å; H499-H503 AromaticContact CE1-NE2 3.31Å; H499-H503 PolarHBondContact CE1-NE2 2.9Å; H499-H503 VanDerWaalsContact CE1-NE2 3.31Å; H499-H503 AromaticContact NE2-CD2 3.65Å; H499-H503 AromaticContact NE2-NE2 3.52Å; H499-H503 PolarHBondContact O-N 3.49Å; L500-H503 WeakPolarHBondContact O-CB 3.37Å; L500-H503 PolarHBondContact O-N 2.92Å; L500-H503 VanDerWaalsContact O-N 3.07Å; H503-K505 VanDerWaalsContact C-N 3.34Å; H503-K505 PolarHBondContact O-N 3.14Å; H503-M506 PolarHBondContact O-N 3.42Å; H503-N507 WeakPolarHBondContact O-CB 3.48Å; H503-N507 PolarHBondContact O-N 2.71Å; H503-N507 PolarHBondContact O-OD1 2.91Å
504F74.6Confident72.8Confident148 Ų148107.9 Ų107.965%0.64950%0.501SS*.Hα-helixtrans-61.3-40.8174-76.4-68.1000112.5L500 D501 W502 R508L500-F504 WeakPolarHBondContact O-CD2 3.43Å; L500-F504 PolarHBondContact O-N 3.46Å; D501-F504 PolarHBondContact O-N 3.28Å; W502-F504 PolarHBondContact O-N 2.75Å; F504-R508 VanDerWaalsContact O-CB 3.25Å; F504-R508 WeakPolarHBondContact O-CB 3.4Å; F504-R508 PolarHBondContact O-N 3.27Å
505K75.3Confident71.2Confident119 Ų119106.9 Ų106.952%0.51751%0.505SS..Hα-helixtrans-69.2-37.2178.8-71.1161-163.9167.90112.5D501 W502 H503 R509D501-K505 WeakPolarHBondContact O-CB 3.31Å; D501-K505 VanDerWaalsContact O-CD 3.29Å; D501-K505 WeakPolarHBondContact O-CD 3.37Å; D501-K505 WeakPolarHBondContact O-CG 3.25Å; D501-K505 PolarHBondContact O-N 2.97Å; D501-K505 WeakPolarHBondContact OD2-CE 3.5Å; D501-K505 IonicContact OD2-NZ 2.83Å; D501-K505 PolarHBondContact OD2-NZ 3.07Å; W502-K505 PolarHBondContact O-N 3.31Å; H503-K505 VanDerWaalsContact C-N 3.34Å; H503-K505 PolarHBondContact O-N 3.14Å; K505-R509 WeakPolarHBondContact O-CG 3.49Å; K505-R509 PolarHBondContact O-N 3.22Å
506M65.6Low69.6Low71 Ų71106.1 Ų106.135%0.3552%0.522SS..Hα-helixtrans-65.3-56.7172.3-78.6-61.3-173.100111.6W502 H503 R508 R509 E510W502-M506 HydrophobicContact CD2-CG 4.3Å; W502-M506 HydrophobicContact CZ2-CE 3.81Å; W502-M506 HydrophobicContact CZ2-CG 4Å; W502-M506 PolarHBondContact O-N 2.89Å; H503-M506 PolarHBondContact O-N 3.42Å; M506-R508 PolarHBondContact O-N 3.26Å; M506-R508 VanDerWaalsContact O-N 3.11Å; M506-R509 WeakPolarHBondContact O-CA 3.2Å; M506-R509 WeakPolarHBondContact O-CB 3.48Å; M506-R509 PolarHBondContact O-N 2.84Å; M506-E510 PolarHBondContact O-N 2.88Å
507N74Confident67.4Low67 Ų67109.9 Ų109.936%0.35855%0.549SS..Hα-helixtrans-58.9-31-178.2-64.11.1000112.3H503 K511H503-N507 WeakPolarHBondContact O-CB 3.48Å; H503-N507 PolarHBondContact O-N 2.71Å; H503-N507 PolarHBondContact O-OD1 2.91Å; N507-K511 WeakPolarHBondContact O-CB 3.5Å; N507-K511 VanDerWaalsContact O-CG 3.31Å; N507-K511 WeakPolarHBondContact O-CG 3.43Å; N507-K511 PolarHBondContact O-N 2.87Å
508R70.3Confident65.6Low195 Ų195112.6 Ų112.674%0.73657%0.565SS**Hα-helixtrans-73-36.4173.5-174.9173.6176.5175.2-1.2112.8F504 M506 S512F504-R508 VanDerWaalsContact O-CB 3.25Å; F504-R508 WeakPolarHBondContact O-CB 3.4Å; F504-R508 PolarHBondContact O-N 3.27Å; M506-R508 PolarHBondContact O-N 3.26Å; M506-R508 VanDerWaalsContact O-N 3.11Å; R508-S512 WeakPolarHBondContact O-CB 3.21Å; R508-S512 PolarHBondContact O-N 3.16Å; R508-S512 PolarHBondContact O-OG 3.43Å
509R66.4Low63.7Low191 Ų191112.5 Ų112.572%0.72156%0.561SS**Hα-helixtrans-65.7-47.6174.8-79178.6173.2-169.4-2.7111.2K505 M506 S512 A513K505-R509 WeakPolarHBondContact O-CG 3.49Å; K505-R509 PolarHBondContact O-N 3.22Å; M506-R509 WeakPolarHBondContact O-CA 3.2Å; M506-R509 WeakPolarHBondContact O-CB 3.48Å; M506-R509 PolarHBondContact O-N 2.84Å; R509-S512 PolarHBondContact O-N 2.97Å; R509-S512 VanDerWaalsContact O-N 3.14Å; R509-A513 PolarHBondContact O-N 3.3Å
510E58.4Low61.8Low133 Ų133115 Ų11562%0.62158%0.58SS**Hα-helixtrans-57-52177-67.7174.416900111.7M506 S512 A513M506-E510 PolarHBondContact O-N 2.88Å; E510-S512 PolarHBondContact O-N 2.94Å; E510-S512 VanDerWaalsContact O-N 3.13Å; E510-A513 PolarHBondContact O-N 2.8Å; E510-A513 VanDerWaalsContact O-N 3.13Å
511K63Low60.1Low184 Ų184115.9 Ų115.980%0.858%0.579SS**Hα-helixtrans-65.4-14.9178.8-70.3178.6179.8-175.80114.7N507N507-K511 WeakPolarHBondContact O-CB 3.5Å; N507-K511 VanDerWaalsContact O-CG 3.31Å; N507-K511 WeakPolarHBondContact O-CG 3.43Å; N507-K511 PolarHBondContact O-N 2.87Å
512S57.7Low58.5Low84 Ų84115.6 Ų115.659%0.58757%0.574SS**Hα-helixtrans-91.8-17.9176.7-54.60000113R508 R509 E510 R514R508-S512 WeakPolarHBondContact O-CB 3.21Å; R508-S512 PolarHBondContact O-N 3.16Å; R508-S512 PolarHBondContact O-OG 3.43Å; R509-S512 PolarHBondContact O-N 2.97Å; R509-S512 VanDerWaalsContact O-N 3.14Å; E510-S512 PolarHBondContact O-N 2.94Å; E510-S512 VanDerWaalsContact O-N 3.13Å; S512-R514 PolarHBondContact O-N 3.33Å
513A50.7Low56.5Low69 Ų69113.9 Ų113.957%0.5757%0.574SS**  trans-8179.2-177.300000111.5R509 E510 G515R509-A513 PolarHBondContact O-N 3.3Å; E510-A513 PolarHBondContact O-N 2.8Å; E510-A513 VanDerWaalsContact O-N 3.13Å; A513-G515 VanDerWaalsContact C-N 3.31Å; A513-G515 PolarHBondContact O-N 3.06Å
514R43.2Very low54.6Low251 Ų251114.9 Ų114.995%0.94759%0.587SS**  trans-7383.2171.4-76.8-175.3174.2168.1-2.3111.1S512S512-R514 PolarHBondContact O-N 3.33Å
515G48.6Very low52.9Low50 Ų50114.5 Ų114.552%0.51559%0.591SS.*SBendtrans146.7142.7172.400000111.9A513 V517A513-G515 VanDerWaalsContact C-N 3.31Å; A513-G515 PolarHBondContact O-N 3.06Å; G515-V517 PolarHBondContact O-N 3.03Å
516A39.2Very low51.1Low111 Ų111113.4 Ų113.492%0.91759%0.587SS**  trans-74.575.1174.500000110.4S518A516-S518 PolarHBondContact O-N 2.99Å
517V41.2Very low49.6Very low121 Ų121116.8 Ų116.873%0.73361%0.611SS**  trans-73.195171.6-178.40000108.1G515 R519G515-V517 PolarHBondContact O-N 3.03Å; V517-R519 PolarHBondContact O-N 3.47Å
518S45.8Very low47.5Very low112 Ų112125.2 Ų125.278%0.78364%0.638SS**  trans-56.9110.4168.452.80000108.9A516A516-S518 PolarHBondContact O-N 2.99Å
519R43.9Very low45.6Very low145 Ų145118.7 Ų118.755%0.54763%0.626SS.*  trans-80134.1176.7-77.5174.4155.3-177.7-11.4109.2V517 W521V517-R519 PolarHBondContact O-N 3.47Å; R519-W521 HydrophobicContact CB-CD2 3.6Å; R519-W521 VanDerWaalsContact CB-CE2 3.49Å; R519-W521 HydrophobicContact CB-CE3 3.95Å; R519-W521 HydrophobicContact CB-CG 4.27Å; R519-W521 HydrophobicContact CB-CH2 4.36Å; R519-W521 HydrophobicContact CB-CZ2 3.9Å; R519-W521 HydrophobicContact CB-CZ3 4.33Å; R519-W521 VanDerWaalsContact CD-CZ2 3.42Å; R519-W521 HydrophobicContact CG-CZ2 4.32Å; R519-W521 VanDerWaalsContact O-CD1 3.32Å; R519-W521 PolarHBondContact O-N 3.23Å
520P46.3Very low43.9Very low81 Ų81117.8 Ų117.853%0.52663%0.629SS.*  trans-66.4119.616927.8-32.3000108.5
521W47.2Very low42.7Very low71 Ų71120.9 Ų120.927%0.26964%0.641SS.*EExtended strand (participates in β ladder)trans-132.7128.5-178.6-48.4134.3000109.4R519 F549 K558 R560R519-W521 HydrophobicContact CB-CD2 3.6Å; R519-W521 VanDerWaalsContact CB-CE2 3.49Å; R519-W521 HydrophobicContact CB-CE3 3.95Å; R519-W521 HydrophobicContact CB-CG 4.27Å; R519-W521 HydrophobicContact CB-CH2 4.36Å; R519-W521 HydrophobicContact CB-CZ2 3.9Å; R519-W521 HydrophobicContact CB-CZ3 4.33Å; R519-W521 VanDerWaalsContact CD-CZ2 3.42Å; R519-W521 HydrophobicContact CG-CZ2 4.32Å; R519-W521 VanDerWaalsContact O-CD1 3.32Å; R519-W521 PolarHBondContact O-N 3.23Å; W521-F549 HydrophobicContact CB-CE1 4.43Å; W521-F549 HydrophobicContact CB-CZ 3.97Å; W521-F549 AromaticContact CD2-CE1 3.75Å; W521-F549 HydrophobicContact CD2-CE1 3.75Å; W521-F549 HydrophobicContact CD2-CE2 4.02Å; W521-F549 AromaticContact CD2-CZ 3.21Å; W521-F549 HydrophobicContact CD2-CZ 3.21Å; W521-F549 AromaticContact CE2-CE2 3.79Å; W521-F549 AromaticContact CE2-CZ 3.48Å; W521-F549 VanDerWaalsContact CE2-CZ 3.48Å; W521-F549 HydrophobicContact CE3-CD1 4.14Å; W521-F549 AromaticContact CE3-CE1 3.17Å; W521-F549 HydrophobicContact CE3-CE1 3.17Å; W521-F549 HydrophobicContact CE3-CE2 4.1Å; W521-F549 AromaticContact CE3-CZ 3.17Å; W521-F549 HydrophobicContact CE3-CZ 3.17Å; W521-F549 HydrophobicContact CG-CE1 4.37Å; W521-F549 AromaticContact CG-CZ 3.68Å; W521-F549 HydrophobicContact CG-CZ 3.68Å; W521-F549 HydrophobicContact CH2-CD1 4.11Å; W521-F549 AromaticContact CH2-CD2 3.9Å; W521-F549 HydrophobicContact CH2-CD2 3.9Å; W521-F549 AromaticContact CH2-CE1 3.76Å; W521-F549 HydrophobicContact CH2-CE1 3.76Å; W521-F549 AromaticContact CH2-CE2 3.51Å; W521-F549 HydrophobicContact CH2-CE2 3.51Å; W521-F549 HydrophobicContact CH2-CG 4.2Å; W521-F549 AromaticContact CH2-CZ 3.46Å; W521-F549 HydrophobicContact CH2-CZ 3.46Å; W521-F549 VanDerWaalsContact CH2-CZ 3.46Å; W521-F549 HydrophobicContact CZ2-CD2 4.29Å; W521-F549 HydrophobicContact CZ2-CE1 4.36Å; W521-F549 AromaticContact CZ2-CE2 3.56Å; W521-F549 HydrophobicContact CZ2-CE2 3.56Å; W521-F549 AromaticContact CZ2-CZ 3.62Å; W521-F549 HydrophobicContact CZ2-CZ 3.62Å; W521-F549 AromaticContact CZ3-CD1 3.67Å; W521-F549 HydrophobicContact CZ3-CD1 3.67Å; W521-F549 HydrophobicContact CZ3-CD2 4.28Å; W521-F549 AromaticContact CZ3-CE1 3.16Å; W521-F549 HydrophobicContact CZ3-CE1 3.16Å; W521-F549 AromaticContact CZ3-CE2 3.85Å; W521-F549 HydrophobicContact CZ3-CE2 3.85Å; W521-F549 HydrophobicContact CZ3-CG 4.23Å; W521-F549 AromaticContact CZ3-CZ 3.28Å; W521-F549 HydrophobicContact CZ3-CZ 3.28Å; W521-K558 HydrophobicContact CB-CB 4.39Å; W521-K558 HydrophobicContact CB-CD 3.41Å; W521-K558 VanDerWaalsContact CB-CD 3.41Å; W521-K558 HydrophobicContact CG-CD 4.35Å; W521-R560 HydrophobicContact CZ3-CB 4.29Å; W521-R560 HydrophobicContact CZ3-CG 4.28Å
522F50.2Low41Very low72 Ų72115.1 Ų115.132%0.31662%0.623SS.*EExtended strand (participates in β ladder)trans-108.5127.7179.8-75-96.4000111.6A524 K558 L559 A562 V564F522-A524 PolarHBondContact O-N 3.12Å; F522-K558 WeakPolarHBondContact O-CA 3.44Å; F522-K558 VanDerWaalsContact O-CB 3.24Å; F522-K558 WeakPolarHBondContact O-CB 3.46Å; F522-K558 WeakPolarHBondContact O-CG 3.42Å; F522-L559 PolarHBondContact O-N 3.1Å; F522-L559 VanDerWaalsContact O-N 3.14Å; F522-A562 VanDerWaalsContact CD2-O 3.28Å; F522-A562 WeakPolarHBondContact CD2-O 3.16Å; F522-A562 WeakPolarHBondContact CE2-O 3.42Å; F522-V564 HydrophobicContact CB-CG2 4.43Å; F522-V564 HydrophobicContact CD1-CB 4.25Å; F522-V564 HydrophobicContact CD1-CG2 3.76Å; F522-V564 HydrophobicContact CE1-CB 4.32Å; F522-V564 HydrophobicContact CE1-CG2 4.28Å; F522-V564 HydrophobicContact CG-CG2 4.17Å
523L40.4Very low40Very low95 Ų95116.1 Ų116.150%0.49762%0.618SS.*EExtended strand (participates in β ladder)trans-50.7127.5171.2-81.2151.1000112.2L525 E554 A556L523-L525 PolarHBondContact O-N 3.37Å; L523-L525 VanDerWaalsContact O-N 3.13Å; L523-E554 WeakPolarHBondContact CD1-OE2 3.39Å; L523-E554 WeakPolarHBondContact CG-OE2 3.5Å; L523-A556 HydrophobicContact CD2-CB 3.51Å
524A45.3Very low39.4Very low43 Ų43118 Ų11836%0.35562%0.619SS.*  trans-73.597.7163.100000109F522 E526 W557F522-A524 PolarHBondContact O-N 3.12Å; A524-E526 PolarHBondContact O-N 2.89Å; A524-W557 HydrophobicContact CB-CB 4.01Å; A524-W557 WeakPolarHBondContact CB-O 3.43Å; A524-W557 PolarHBondContact N-O 2.99Å
525L38.1Very low39.3Very low140 Ų140111 Ų11173%0.73360%0.599SS**  trans-63.2112.9177.5-70.3168.1000111L523 H533L523-L525 PolarHBondContact O-N 3.37Å; L523-L525 VanDerWaalsContact O-N 3.13Å; L525-H533 PolarHBondContact O-CE1 3.43Å
526E38.4Very low39.5Very low96 Ų96112.5 Ų112.545%0.44959%0.592SS.*  174.1114.1106.9-92.2171.7169.300113.3A524 A529A524-E526 PolarHBondContact O-N 2.89Å; E526-A529 HydrophobicContact CG-CB 4.14Å
527V33.9Very low40.7Very low141 Ų141110.7 Ų110.786%0.85556%0.564SS**SBendtrans-83.2109.7153.7176.80000108
528R28.4Very low42.4Very low244 Ų244108.7 Ų108.792%0.92155%0.546SS*.SBendtrans56.561.3170-68.3-175.8163.6125.9-6.1116.4
529A30.8Very low44.1Very low58 Ų58103.3 Ų103.348%0.47951%0.508SS..  trans-133.7179.1154.600000111.8E526E526-A529 HydrophobicContact CG-CB 4.14Å
530H32.2Very low45.8Very low172 Ų17298.2 Ų98.280%0.79650%0.497SS*.  trans-87.4119.4-167.7-81-140.5000113.2C532H530-C532 PolarHBondContact O-N 3.16Å
531K31.8Very low47.3Very low198 Ų19897.3 Ų97.386%0.86149%0.49SS*.SBend66.440.2125.4-155.6-175.3-178.6-177.10117.3
532C28.5Very low48.7Very low64 Ų6496.2 Ų96.243%0.43249%0.492SS..  trans-142.224.3174-102.80000118.9H530 L534 L535H530-C532 PolarHBondContact O-N 3.16Å; C532-L534 PolarHBondContact O-N 3.36Å; C532-L535 PolarHBondContact O-N 3.35Å
533H36Very low49.8Very low104 Ų104100.5 Ų100.548%0.48151%0.513SS..THydrogen-bonded Turntrans-65.62.8179.8-9449.1000117L525L525-H533 PolarHBondContact O-CE1 3.43Å
534L37.5Very low51.2Low110 Ų110101.5 Ų101.558%0.57652%0.516SS*.THydrogen-bonded Turntrans-101.14.4178.8-74.3174.4000114.6L438 C532 F538L438-L534 HydrophobicContact CD1-CD1 4.22Å; C532-L534 PolarHBondContact O-N 3.36Å; L534-F538 VanDerWaalsContact O-CE1 3.25Å; L534-F538 WeakPolarHBondContact O-CE1 3.18Å
535L41.1Very low52.5Low103 Ų103104.6 Ų104.654%0.53953%0.53SS..SBendtrans-105.7-2.3-177.8-68.4177.4000115.2C532C532-L535 PolarHBondContact O-N 3.35Å
536F53.6Low54.2Low82 Ų8298.2 Ų98.236%0.3650%0.496SS..SBendtrans-126.3-1.7-169-65.1-70.3000115.3L559 G567 T569F536-L559 WeakPolarHBondContact O-CD1 3.48Å; F536-G567 VanDerWaalsContact CE1-O 3.26Å; F536-G567 WeakPolarHBondContact CE1-O 3.36Å; F536-T569 HydrophobicContact CB-CG2 4.26Å; F536-T569 HydrophobicContact CD1-CG2 3.94Å; F536-T569 PolarHBondContact O-OG1 2.77Å
537Q64.8Low55.8Low73 Ų7399 Ų9934%0.34150%0.5SS..SBendtrans-81.9-12.9-179.7-74.8-171.4-18.300113.7T545 F546Q537-T545 CarbonylContact O-C 3.55Å; Q537-T545 VanDerWaalsContact O-CA 3.23Å; Q537-T545 WeakPolarHBondContact O-CA 3.34Å; Q537-F546 WeakPolarHBondContact O-CD2 3.33Å; Q537-F546 PolarHBondContact O-N 3.01Å
538F76.8Confident57.6Low78 Ų7896.1 Ų96.134%0.34248%0.477SS..BIsolated β-bridgetrans-116149.8179.847.3-100.4000112.2L534 E543 E544 F546 T569L534-F538 VanDerWaalsContact O-CE1 3.25Å; L534-F538 WeakPolarHBondContact O-CE1 3.18Å; F538-E543 WeakPolarHBondContact CB-O 3.34Å; F538-E544 CarbonylContact C-O 3.55Å; F538-E544 VanDerWaalsContact CA-O 3.3Å; F538-E544 WeakPolarHBondContact CA-O 3.39Å; F538-F546 WeakPolarHBondContact O-CE2 3.5Å; F538-T569 PolarHBondContact O-OG1 2.94Å; F538-T569 VanDerWaalsContact O-OG1 3.07Å
539C80.6Confident59.2Low0 Ų085.8 Ų85.80%044%0.439CS..  trans-72.1127171.7178.20000110.2V541 C542 E543 E544 F546 T569 H571C539-V541 PolarHBondContact O-N 3.03Å; C539-C542 VanDerWaalsContact CB-SG 3.52Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C539-E543 VanDerWaalsContact O-CA 3.26Å; C539-E543 WeakPolarHBondContact O-CA 3.27Å; C539-E543 PolarHBondContact O-N 3.37Å; C539-E544 PolarHBondContact N-O 3.22Å; C539-F546 HydrophobicContact CB-CE1 4.38Å; C539-F546 HydrophobicContact CB-CE2 4.17Å; C539-F546 HydrophobicContact CB-CZ 3.72Å; C539-T569 CarbonylContact C-O 3.28Å; C539-T569 WeakPolarHBondContact CA-O 3.33Å; C539-H571 PolarHBondContact SG-N 2.84Å
540A79.8Confident60.8Low37 Ų3787 Ų8731%0.30643%0.434SS..THydrogen-bonded Turntrans-71.725.6-177.200000115.3K568 T569 Y570A540-K568 HydrophobicContact CB-CB 4.16Å; A540-K568 HydrophobicContact CB-CD 4.14Å; A540-T569 PolarHBondContact N-O 3.41Å; A540-Y570 HydrophobicContact CB-CD1 4.47Å; A540-Y570 HydrophobicContact CB-CE1 4.08Å
541V77.7Confident62.5Low63 Ų6379.2 Ų79.238%0.38240%0.398SS..THydrogen-bonded Turntrans-142.7-52.6-177.5176.20000111.2C539 Y570 C574 F578C539-V541 PolarHBondContact O-N 3.03Å; V541-Y570 HydrophobicContact CG2-CD1 3.61Å; V541-Y570 HydrophobicContact CG2-CE1 3.64Å; V541-C574 HydrophobicContact CB-CB 3.93Å; V541-C574 HydrophobicContact CG1-CB 4.04Å; V541-C574 HydrophobicContact CG2-CB 4.34Å; V541-F578 HydrophobicContact CG2-CB 3.75Å; V541-F578 HydrophobicContact CG2-CD2 3.95Å; V541-F578 HydrophobicContact CG2-CG 3.83Å
542C76.7Confident63.6Low47 Ų4778 Ų7832%0.31840%0.395SS..THydrogen-bonded Turntrans-98.7-4.4176.8620000114.4C539 E544 H571C539-C542 VanDerWaalsContact CB-SG 3.52Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C542-E544 HydrophobicContact CB-CG 4.19Å; C542-E544 PolarHBondContact O-N 2.85Å; C542-E544 PolarHBondContact SG-OE2 2.9Å; C542-H571 PolarHBondContact SG-ND1 3.29Å; C542-H571 VanDerWaalsContact SG-ND1 3.42Å
543E73.4Confident65.3Low162 Ų16282.6 Ų82.676%0.75742%0.416SS*.  trans58.5-2-176.8-56-169.2163.400116.1F538 C539F538-E543 WeakPolarHBondContact CB-O 3.34Å; C539-E543 VanDerWaalsContact O-CA 3.26Å; C539-E543 WeakPolarHBondContact O-CA 3.27Å; C539-E543 PolarHBondContact O-N 3.37Å
544E70.6Confident66.4Low117 Ų11782.4 Ų82.455%0.54742%0.415SS..PPolyproline II helixtrans-59.7144.2173.6-62.5177.9132.900112F538 C539 C542 H571F538-E544 CarbonylContact C-O 3.55Å; F538-E544 VanDerWaalsContact CA-O 3.3Å; F538-E544 WeakPolarHBondContact CA-O 3.39Å; C539-E544 PolarHBondContact N-O 3.22Å; C542-E544 HydrophobicContact CB-CG 4.19Å; C542-E544 PolarHBondContact O-N 2.85Å; C542-E544 PolarHBondContact SG-OE2 2.9Å; E544-H571 IonicContact OE2-CE1 2.78Å; E544-H571 PolarHBondContact OE2-CE1 2.94Å; E544-H571 IonicContact OE2-ND1 3.81Å
545T71.2Confident67.6Low107 Ų10781.8 Ų81.866%0.65641%0.412SS*.BIsolated β-bridgetrans-81.4133.3179.247.60000112.5Q537Q537-T545 CarbonylContact O-C 3.55Å; Q537-T545 VanDerWaalsContact O-CA 3.23Å; Q537-T545 WeakPolarHBondContact O-CA 3.34Å
546F75.6Confident68.4Low6 Ų677.6 Ų77.63%0.02639%0.392CS..PPolyproline II helixtrans-68.6139.5174.7-63.9-77.6000111.5Q537 F538 C539 Q548 L559 A562 T569 Y570 H571Q537-F546 WeakPolarHBondContact O-CD2 3.33Å; Q537-F546 PolarHBondContact O-N 3.01Å; F538-F546 WeakPolarHBondContact O-CE2 3.5Å; C539-F546 HydrophobicContact CB-CE1 4.38Å; C539-F546 HydrophobicContact CB-CE2 4.17Å; C539-F546 HydrophobicContact CB-CZ 3.72Å; F546-Q548 PolarHBondContact O-N 3.43Å; F546-L559 HydrophobicContact CB-CB 4.16Å; F546-L559 HydrophobicContact CB-CD1 4.46Å; F546-L559 HydrophobicContact CB-CD2 4.12Å; F546-L559 HydrophobicContact CB-CG 4.47Å; F546-L559 HydrophobicContact CD2-CD1 3.99Å; F546-L559 HydrophobicContact CG-CB 4.41Å; F546-L559 HydrophobicContact CG-CD1 4.31Å; F546-A562 HydrophobicContact CD1-CB 3.79Å; F546-A562 HydrophobicContact CE1-CB 3.7Å; F546-A562 HydrophobicContact CG-CB 4.3Å; F546-A562 HydrophobicContact CZ-CB 4.15Å; F546-T569 HydrophobicContact CE2-CG2 4.41Å; F546-Y570 VanDerWaalsContact CZ-C 3.45Å; F546-H571 AromaticContact CD1-CD2 3.72Å; F546-H571 AromaticContact CD1-NE2 3.71Å; F546-H571 AromaticContact CE1-CD2 3.37Å; F546-H571 WeakPolarHBondContact CE1-CD2 3.46Å; F546-H571 AromaticContact CE1-CG 3.91Å; F546-H571 AromaticContact CE1-NE2 3.72Å
547E71.4Confident69.3Low112 Ų11280.5 Ų80.552%0.52340%0.401SS..  trans-68.2105.8168.9-169.6-158.5128.700109.3R560E547-R560 HydrophobicContact CB-CB 4.12Å; E547-R560 WeakPolarHBondContact O-CB 3.47Å; E547-R560 PolarHBondContact O-N 3.21Å; E547-R560 IonicContact OE1-CZ 3.64Å; E547-R560 IonicContact OE1-NE 2.72Å; E547-R560 PolarHBondContact OE1-NE 3.17Å; E547-R560 IonicContact OE1-NH2 2.99Å; E547-R560 PolarHBondContact OE1-NH2 2.88Å; E547-R560 WeakPolarHBondContact OE2-CD 3.43Å; E547-R560 IonicContact OE2-CZ 2.69Å; E547-R560 IonicContact OE2-NE 2.71Å; E547-R560 PolarHBondContact OE2-NE 3.36Å; E547-R560 IonicContact OE2-NH2 3.84Å
548Q70.5Confident69.7Low81 Ų8177.1 Ų77.138%0.37939%0.385SS..EExtended strand (participates in β ladder)trans-71.7133.2169.4-80.4159.791.600109.9F546 W557 L559F546-Q548 PolarHBondContact O-N 3.43Å; Q548-W557 HydrophobicContact CB-CE3 4.2Å; Q548-W557 HydrophobicContact CB-CZ3 4.44Å; Q548-L559 HydrophobicContact CG-CD2 3.51Å
549F63.6Low69.7Low27 Ų2774.2 Ų74.212%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-135.4159.7170.878.8-74.1000109.1W521 D551 K558 R560W521-F549 HydrophobicContact CB-CE1 4.43Å; W521-F549 HydrophobicContact CB-CZ 3.97Å; W521-F549 AromaticContact CD2-CE1 3.75Å; W521-F549 HydrophobicContact CD2-CE1 3.75Å; W521-F549 HydrophobicContact CD2-CE2 4.02Å; W521-F549 AromaticContact CD2-CZ 3.21Å; W521-F549 HydrophobicContact CD2-CZ 3.21Å; W521-F549 AromaticContact CE2-CE2 3.79Å; W521-F549 AromaticContact CE2-CZ 3.48Å; W521-F549 VanDerWaalsContact CE2-CZ 3.48Å; W521-F549 HydrophobicContact CE3-CD1 4.14Å; W521-F549 AromaticContact CE3-CE1 3.17Å; W521-F549 HydrophobicContact CE3-CE1 3.17Å; W521-F549 HydrophobicContact CE3-CE2 4.1Å; W521-F549 AromaticContact CE3-CZ 3.17Å; W521-F549 HydrophobicContact CE3-CZ 3.17Å; W521-F549 HydrophobicContact CG-CE1 4.37Å; W521-F549 AromaticContact CG-CZ 3.68Å; W521-F549 HydrophobicContact CG-CZ 3.68Å; W521-F549 HydrophobicContact CH2-CD1 4.11Å; W521-F549 AromaticContact CH2-CD2 3.9Å; W521-F549 HydrophobicContact CH2-CD2 3.9Å; W521-F549 AromaticContact CH2-CE1 3.76Å; W521-F549 HydrophobicContact CH2-CE1 3.76Å; W521-F549 AromaticContact CH2-CE2 3.51Å; W521-F549 HydrophobicContact CH2-CE2 3.51Å; W521-F549 HydrophobicContact CH2-CG 4.2Å; W521-F549 AromaticContact CH2-CZ 3.46Å; W521-F549 HydrophobicContact CH2-CZ 3.46Å; W521-F549 VanDerWaalsContact CH2-CZ 3.46Å; W521-F549 HydrophobicContact CZ2-CD2 4.29Å; W521-F549 HydrophobicContact CZ2-CE1 4.36Å; W521-F549 AromaticContact CZ2-CE2 3.56Å; W521-F549 HydrophobicContact CZ2-CE2 3.56Å; W521-F549 AromaticContact CZ2-CZ 3.62Å; W521-F549 HydrophobicContact CZ2-CZ 3.62Å; W521-F549 AromaticContact CZ3-CD1 3.67Å; W521-F549 HydrophobicContact CZ3-CD1 3.67Å; W521-F549 HydrophobicContact CZ3-CD2 4.28Å; W521-F549 AromaticContact CZ3-CE1 3.16Å; W521-F549 HydrophobicContact CZ3-CE1 3.16Å; W521-F549 AromaticContact CZ3-CE2 3.85Å; W521-F549 HydrophobicContact CZ3-CE2 3.85Å; W521-F549 HydrophobicContact CZ3-CG 4.23Å; W521-F549 AromaticContact CZ3-CZ 3.28Å; W521-F549 HydrophobicContact CZ3-CZ 3.28Å; F549-D551 HydrophobicContact CE2-CB 3.86Å; F549-D551 HydrophobicContact CZ-CB 4.21Å; F549-K558 HydrophobicContact CD1-CB 4.29Å; F549-K558 VanDerWaalsContact CD1-O 3.25Å; F549-K558 WeakPolarHBondContact CD1-O 3.3Å; F549-K558 HydrophobicContact CE1-CB 3.44Å; F549-K558 VanDerWaalsContact CE1-CB 3.44Å; F549-K558 WeakPolarHBondContact CE1-O 3.4Å; F549-K558 HydrophobicContact CE2-CB 4.44Å; F549-K558 HydrophobicContact CZ-CB 3.52Å; F549-K558 HydrophobicContact CZ-CD 4.2Å; F549-K558 HydrophobicContact CZ-CG 4.34Å; F549-K558 PolarHBondContact N-O 2.93Å; F549-K558 PolarHBondContact O-N 3.25Å; F549-R560 HydrophobicContact CD1-CB 4.21Å
550F63.7Low69.5Low83 Ų8377 Ų7736%0.36438%0.384SS..EExtended strand (participates in β ladder)trans-93.9123.1174.7-167.5-100.3000109.8Q552 D555 W557F550-Q552 HydrophobicContact CD1-CG 4.19Å; F550-D555 WeakPolarHBondContact CZ-O 3.29Å; F550-D555 WeakPolarHBondContact CZ-OD1 3.45Å; F550-W557 HydrophobicContact CB-CD2 4.48Å; F550-W557 HydrophobicContact CB-CE3 4.39Å; F550-W557 HydrophobicContact CB-CZ3 4.42Å; F550-W557 AromaticContact CD2-CD1 3.89Å; F550-W557 HydrophobicContact CD2-CD2 4.04Å; F550-W557 AromaticContact CD2-CE2 3.89Å; F550-W557 HydrophobicContact CD2-CG 4.05Å; F550-W557 HydrophobicContact CD2-CZ2 4.49Å; F550-W557 AromaticContact CD2-NE1 3.78Å
551D66.8Low69.4Low10 Ų1079.1 Ų79.15%0.05339%0.39CS..EExtended strand (participates in β ladder)trans-87.4117.4173.1-168.7-49.8000108.7F549 D553 E554 D555 A556 K558F549-D551 HydrophobicContact CE2-CB 3.86Å; F549-D551 HydrophobicContact CZ-CB 4.21Å; D551-D553 PolarHBondContact OD1-N 3.31Å; D551-E554 PolarHBondContact OD1-N 3.49Å; D551-D555 PolarHBondContact O-N 2.79Å; D551-D555 VanDerWaalsContact O-N 3.15Å; D551-A556 WeakPolarHBondContact CB-O 3.3Å; D551-A556 PolarHBondContact N-O 2.99Å; D551-A556 PolarHBondContact O-N 3.02Å; D551-A556 VanDerWaalsContact O-N 3.13Å; D551-K558 HydrophobicContact CB-CB 4.49Å; D551-K558 HydrophobicContact CB-CD 3.62Å; D551-K558 HydrophobicContact CB-CG 3.84Å; D551-K558 WeakPolarHBondContact OD2-CD 3.32Å; D551-K558 VanDerWaalsContact OD2-CE 3.23Å; D551-K558 WeakPolarHBondContact OD2-CE 3.09Å; D551-K558 IonicContact OD2-NZ 2.73Å; D551-K558 PolarHBondContact OD2-NZ 3.41Å
552Q56.2Low69.6Low171 Ų17176.1 Ų76.180%0.79937%0.372SS*.THydrogen-bonded Turntrans-81.9-15.9-174.1-64.3-17914.100113F550F550-Q552 HydrophobicContact CD1-CG 4.19Å
553D63Low69.6Low161 Ų16175.6 Ų75.686%0.86137%0.367SS*.THydrogen-bonded Turntrans-86.8-29.7-179.6-63.5-51.2000111.2D551D551-D553 PolarHBondContact OD1-N 3.31Å
554E60.7Low69.9Low101 Ų10171.1 Ų71.147%0.47235%0.351SS..THydrogen-bonded Turntrans-104.33.8174.7-81.9172.3-126.500114.7L523 D551 A556 K558L523-E554 WeakPolarHBondContact CD1-OE2 3.39Å; L523-E554 WeakPolarHBondContact CG-OE2 3.5Å; D551-E554 PolarHBondContact OD1-N 3.49Å; E554-A556 HydrophobicContact CB-CB 4.34Å; E554-A556 WeakPolarHBondContact O-CB 3.37Å; E554-A556 PolarHBondContact O-N 2.74Å; E554-K558 VanDerWaalsContact CD-CE 3.42Å; E554-K558 IonicContact OE1-NZ 3.83Å; E554-K558 PolarHBondContact OE1-NZ 2.98Å; E554-K558 WeakPolarHBondContact OE2-CE 3.47Å; E554-K558 IonicContact OE2-NZ 3.37Å; E554-K558 PolarHBondContact OE2-NZ 3.4Å
555D61.2Low70.1Confident97 Ų9766.9 Ų66.952%0.51933%0.333SS..THydrogen-bonded Turntrans52.533.3-178-159.441000113.6F165 F550 D551F165-D555 HydrophobicContact CE1-CB 4.38Å; F165-D555 HydrophobicContact CZ-CB 4.09Å; F165-D555 WeakPolarHBondContact CZ-OD2 3.46Å; F550-D555 WeakPolarHBondContact CZ-O 3.29Å; F550-D555 WeakPolarHBondContact CZ-OD1 3.45Å; D551-D555 PolarHBondContact O-N 2.79Å; D551-D555 VanDerWaalsContact O-N 3.15Å
556A59.2Low70.4Confident14 Ų1469.6 Ų69.612%0.11634%0.343CS..EExtended strand (participates in β ladder)trans-133.9144.8-165.200000113.4L523 D551 E554L523-A556 HydrophobicContact CD2-CB 3.51Å; D551-A556 WeakPolarHBondContact CB-O 3.3Å; D551-A556 PolarHBondContact N-O 2.99Å; D551-A556 PolarHBondContact O-N 3.02Å; D551-A556 VanDerWaalsContact O-N 3.13Å; E554-A556 HydrophobicContact CB-CB 4.34Å; E554-A556 WeakPolarHBondContact O-CB 3.37Å; E554-A556 PolarHBondContact O-N 2.74Å
557W71.1Confident70.4Confident143 Ų14371.8 Ų71.854%0.54237%0.367SS..EExtended strand (participates in β ladder)trans-67137.7162.4-72.593.4000109.8A524 Q548 F550A524-W557 HydrophobicContact CB-CB 4.01Å; A524-W557 WeakPolarHBondContact CB-O 3.43Å; A524-W557 PolarHBondContact N-O 2.99Å; Q548-W557 HydrophobicContact CB-CE3 4.2Å; Q548-W557 HydrophobicContact CB-CZ3 4.44Å; F550-W557 HydrophobicContact CB-CD2 4.48Å; F550-W557 HydrophobicContact CB-CE3 4.39Å; F550-W557 HydrophobicContact CB-CZ3 4.42Å; F550-W557 AromaticContact CD2-CD1 3.89Å; F550-W557 HydrophobicContact CD2-CD2 4.04Å; F550-W557 AromaticContact CD2-CE2 3.89Å; F550-W557 HydrophobicContact CD2-CG 4.05Å; F550-W557 HydrophobicContact CD2-CZ2 4.49Å; F550-W557 AromaticContact CD2-NE1 3.78Å
558K74.1Confident70.6Confident3 Ų371.8 Ų71.81%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-137.9153179.1-66.2-163.4-174171.70111.5W521 F522 F549 D551 E554W521-K558 HydrophobicContact CB-CB 4.39Å; W521-K558 HydrophobicContact CB-CD 3.41Å; W521-K558 VanDerWaalsContact CB-CD 3.41Å; W521-K558 HydrophobicContact CG-CD 4.35Å; F522-K558 WeakPolarHBondContact O-CA 3.44Å; F522-K558 VanDerWaalsContact O-CB 3.24Å; F522-K558 WeakPolarHBondContact O-CB 3.46Å; F522-K558 WeakPolarHBondContact O-CG 3.42Å; F549-K558 HydrophobicContact CD1-CB 4.29Å; F549-K558 VanDerWaalsContact CD1-O 3.25Å; F549-K558 WeakPolarHBondContact CD1-O 3.3Å; F549-K558 HydrophobicContact CE1-CB 3.44Å; F549-K558 VanDerWaalsContact CE1-CB 3.44Å; F549-K558 WeakPolarHBondContact CE1-O 3.4Å; F549-K558 HydrophobicContact CE2-CB 4.44Å; F549-K558 HydrophobicContact CZ-CB 3.52Å; F549-K558 HydrophobicContact CZ-CD 4.2Å; F549-K558 HydrophobicContact CZ-CG 4.34Å; F549-K558 PolarHBondContact N-O 2.93Å; F549-K558 PolarHBondContact O-N 3.25Å; D551-K558 HydrophobicContact CB-CB 4.49Å; D551-K558 HydrophobicContact CB-CD 3.62Å; D551-K558 HydrophobicContact CB-CG 3.84Å; D551-K558 WeakPolarHBondContact OD2-CD 3.32Å; D551-K558 VanDerWaalsContact OD2-CE 3.23Å; D551-K558 WeakPolarHBondContact OD2-CE 3.09Å; D551-K558 IonicContact OD2-NZ 2.73Å; D551-K558 PolarHBondContact OD2-NZ 3.41Å; E554-K558 VanDerWaalsContact CD-CE 3.42Å; E554-K558 IonicContact OE1-NZ 3.83Å; E554-K558 PolarHBondContact OE1-NZ 2.98Å; E554-K558 WeakPolarHBondContact OE2-CE 3.47Å; E554-K558 IonicContact OE2-NZ 3.37Å; E554-K558 PolarHBondContact OE2-NZ 3.4Å
559L77.3Confident71Confident17 Ų1768 Ų689%0.08935%0.348CS..EExtended strand (participates in β ladder)trans-89.1121.9176.1-56-175.5000110.1F522 F536 F546 Q548 A562 T569F522-L559 PolarHBondContact O-N 3.1Å; F522-L559 VanDerWaalsContact O-N 3.14Å; F536-L559 WeakPolarHBondContact O-CD1 3.48Å; F546-L559 HydrophobicContact CB-CB 4.16Å; F546-L559 HydrophobicContact CB-CD1 4.46Å; F546-L559 HydrophobicContact CB-CD2 4.12Å; F546-L559 HydrophobicContact CB-CG 4.47Å; F546-L559 HydrophobicContact CD2-CD1 3.99Å; F546-L559 HydrophobicContact CG-CB 4.41Å; F546-L559 HydrophobicContact CG-CD1 4.31Å; Q548-L559 HydrophobicContact CG-CD2 3.51Å; L559-A562 HydrophobicContact CB-CB 3.54Å; L559-A562 HydrophobicContact CD1-CB 4.15Å; L559-A562 HydrophobicContact CG-CB 4.5Å; L559-T569 HydrophobicContact CD1-CG2 3.91Å
560R76.5Confident71.9Confident58 Ų5867.4 Ų67.422%0.21935%0.345CS..EExtended strand (participates in β ladder)trans-68.2134.4171.7177.3-176.1-53.9-48.7-16.5109.5W521 E547 F549 A562W521-R560 HydrophobicContact CZ3-CB 4.29Å; W521-R560 HydrophobicContact CZ3-CG 4.28Å; E547-R560 HydrophobicContact CB-CB 4.12Å; E547-R560 WeakPolarHBondContact O-CB 3.47Å; E547-R560 PolarHBondContact O-N 3.21Å; E547-R560 IonicContact OE1-CZ 3.64Å; E547-R560 IonicContact OE1-NE 2.72Å; E547-R560 PolarHBondContact OE1-NE 3.17Å; E547-R560 IonicContact OE1-NH2 2.99Å; E547-R560 PolarHBondContact OE1-NH2 2.88Å; E547-R560 WeakPolarHBondContact OE2-CD 3.43Å; E547-R560 IonicContact OE2-CZ 2.69Å; E547-R560 IonicContact OE2-NE 2.71Å; E547-R560 PolarHBondContact OE2-NE 3.36Å; E547-R560 IonicContact OE2-NH2 3.84Å; F549-R560 HydrophobicContact CD1-CB 4.21Å; R560-A562 PolarHBondContact O-N 3.08Å; R560-A562 VanDerWaalsContact O-N 3.17Å
561N77.1Confident72.8Confident81 Ų8164.9 Ų64.943%0.43333%0.334SS..THydrogen-bonded Turntrans55.234171.5-163.554.9000113H571 P572N561-H571 PolarHBondContact O-CD2 2.96Å; N561-P572 WeakPolarHBondContact O-CD 3.15Å
562A81.3Confident73.3Confident0 Ų066.1 Ų66.10%034%0.343CS..  trans-97.4165.9171.400000110.9F522 F546 L559 R560 Y570F522-A562 VanDerWaalsContact CD2-O 3.28Å; F522-A562 WeakPolarHBondContact CD2-O 3.16Å; F522-A562 WeakPolarHBondContact CE2-O 3.42Å; F546-A562 HydrophobicContact CD1-CB 3.79Å; F546-A562 HydrophobicContact CE1-CB 3.7Å; F546-A562 HydrophobicContact CG-CB 4.3Å; F546-A562 HydrophobicContact CZ-CB 4.15Å; L559-A562 HydrophobicContact CB-CB 3.54Å; L559-A562 HydrophobicContact CD1-CB 4.15Å; L559-A562 HydrophobicContact CG-CB 4.5Å; R560-A562 PolarHBondContact O-N 3.08Å; R560-A562 VanDerWaalsContact O-N 3.17Å; A562-Y570 CarbonylContact C-O 3.59Å; A562-Y570 VanDerWaalsContact CA-O 3.31Å; A562-Y570 WeakPolarHBondContact CA-O 3.17Å
563T78.1Confident74Confident37 Ų3763.7 Ų63.723%0.22734%0.335CS..EExtended strand (participates in β ladder)trans-148.2129.8169-62.20000107.1V565 Y570T563-V565 HydrophobicContact CG2-CG2 4.17Å; T563-Y570 PolarHBondContact N-O 3.46Å; T563-Y570 PolarHBondContact O-N 3.41Å
564V78.8Confident74.7Confident67 Ų6757 Ų5741%0.40630%0.3SS..EExtended strand (participates in β ladder)trans-101.6122.9-177.5-175.80000109.4F522 K568 T569F522-V564 HydrophobicContact CB-CG2 4.43Å; F522-V564 HydrophobicContact CD1-CB 4.25Å; F522-V564 HydrophobicContact CD1-CG2 3.76Å; F522-V564 HydrophobicContact CE1-CB 4.32Å; F522-V564 HydrophobicContact CE1-CG2 4.28Å; F522-V564 HydrophobicContact CG-CG2 4.17Å; V564-K568 WeakPolarHBondContact CA-O 3.18Å; V564-T569 HydrophobicContact CG2-CG2 3.96Å
565V75.3Confident75.7Confident29 Ų2954 Ų5418%0.17629%0.285CS..EExtended strand (participates in β ladder)trans-136.9131.6176.4-175.40000109.1T563 G567 K568 Y570 Y575T563-V565 HydrophobicContact CG2-CG2 4.17Å; V565-G567 PolarHBondContact O-N 3.44Å; V565-G567 VanDerWaalsContact O-N 3.1Å; V565-K568 PolarHBondContact N-O 2.97Å; V565-K568 PolarHBondContact O-N 2.93Å; V565-Y570 HydrophobicContact CB-CD2 4.41Å; V565-Y570 HydrophobicContact CB-CE2 4.18Å; V565-Y575 HydrophobicContact CB-CD2 4.43Å; V565-Y575 HydrophobicContact CB-CE2 3.89Å; V565-Y575 HydrophobicContact CG1-CE2 3.9Å; V565-Y575 HydrophobicContact CG2-CD2 4.04Å; V565-Y575 HydrophobicContact CG2-CE1 4.22Å; V565-Y575 HydrophobicContact CG2-CE2 3.71Å; V565-Y575 HydrophobicContact CG2-CG 4.46Å
566N76.6Confident76.3Confident164 Ų16455.8 Ų55.888%0.87729%0.29SS*.THydrogen-bonded Turntrans48.738.1176.3-61.7-16.6000114.8
567G75Confident76.9Confident51 Ų5161.6 Ų61.653%0.52632%0.32SS..THydrogen-bonded Turntrans70.827.4-178.300000114.3F536 V565F536-G567 VanDerWaalsContact CE1-O 3.26Å; F536-G567 WeakPolarHBondContact CE1-O 3.36Å; V565-G567 PolarHBondContact O-N 3.44Å; V565-G567 VanDerWaalsContact O-N 3.1Å
568K75.9Confident77Confident112 Ų11260 Ų6049%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-133149.5170.5-69.1-177.4178-174.40111A540 V564 V565 Y570A540-K568 HydrophobicContact CB-CB 4.16Å; A540-K568 HydrophobicContact CB-CD 4.14Å; V564-K568 WeakPolarHBondContact CA-O 3.18Å; V565-K568 PolarHBondContact N-O 2.97Å; V565-K568 PolarHBondContact O-N 2.93Å; K568-Y570 HydrophobicContact CB-CD2 4.4Å; K568-Y570 HydrophobicContact CB-CE2 3.57Å
569T79.8Confident76.5Confident3 Ų361.6 Ų61.62%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-101.2135178.435.50000111.7F536 F538 C539 A540 F546 L559 V564F536-T569 HydrophobicContact CB-CG2 4.26Å; F536-T569 HydrophobicContact CD1-CG2 3.94Å; F536-T569 PolarHBondContact O-OG1 2.77Å; F538-T569 PolarHBondContact O-OG1 2.94Å; F538-T569 VanDerWaalsContact O-OG1 3.07Å; C539-T569 CarbonylContact C-O 3.28Å; C539-T569 WeakPolarHBondContact CA-O 3.33Å; A540-T569 PolarHBondContact N-O 3.41Å; F546-T569 HydrophobicContact CE2-CG2 4.41Å; L559-T569 HydrophobicContact CD1-CG2 3.91Å; V564-T569 HydrophobicContact CG2-CG2 3.96Å
570Y82.7Confident75.5Confident13 Ų1365 Ų655%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-133.8149.7-177.9-61-96.3000111.2A540 V541 F546 A562 T563 V565 K568 Y575 F578A540-Y570 HydrophobicContact CB-CD1 4.47Å; A540-Y570 HydrophobicContact CB-CE1 4.08Å; V541-Y570 HydrophobicContact CG2-CD1 3.61Å; V541-Y570 HydrophobicContact CG2-CE1 3.64Å; F546-Y570 VanDerWaalsContact CZ-C 3.45Å; A562-Y570 CarbonylContact C-O 3.59Å; A562-Y570 VanDerWaalsContact CA-O 3.31Å; A562-Y570 WeakPolarHBondContact CA-O 3.17Å; T563-Y570 PolarHBondContact N-O 3.46Å; T563-Y570 PolarHBondContact O-N 3.41Å; V565-Y570 HydrophobicContact CB-CD2 4.41Å; V565-Y570 HydrophobicContact CB-CE2 4.18Å; K568-Y570 HydrophobicContact CB-CD2 4.4Å; K568-Y570 HydrophobicContact CB-CE2 3.57Å; Y570-Y575 HydrophobicContact CD1-CD2 4.05Å; Y570-Y575 AromaticContact CD2-CD2 3.9Å; Y570-Y575 HydrophobicContact CD2-CD2 3.9Å; Y570-Y575 HydrophobicContact CE1-CD2 4.26Å; Y570-Y575 HydrophobicContact CE2-CD2 4.11Å; Y570-Y575 HydrophobicContact CE2-CE2 4.5Å; Y570-Y575 AromaticContact CG-CD2 3.88Å; Y570-Y575 HydrophobicContact CG-CD2 3.88Å; Y570-Y575 HydrophobicContact CG-CG 4.42Å; Y570-F578 AromaticContact CE1-CD1 3.62Å; Y570-F578 HydrophobicContact CE1-CD1 3.62Å; Y570-F578 HydrophobicContact CE1-CE1 4.02Å; Y570-F578 HydrophobicContact CE1-CG 4.15Å; Y570-F578 WeakPolarHBondContact OH-CE1 3.3Å
571H81.4Confident74.3Confident30 Ų3067.9 Ų67.914%0.13939%0.39CS..  trans-68.8143.7155.8-67.9129.5000109C539 C542 E544 F546 N561 L573 C574 Y575C539-H571 PolarHBondContact SG-N 2.84Å; C542-H571 PolarHBondContact SG-ND1 3.29Å; C542-H571 VanDerWaalsContact SG-ND1 3.42Å; E544-H571 IonicContact OE2-CE1 2.78Å; E544-H571 PolarHBondContact OE2-CE1 2.94Å; E544-H571 IonicContact OE2-ND1 3.81Å; F546-H571 AromaticContact CD1-CD2 3.72Å; F546-H571 AromaticContact CD1-NE2 3.71Å; F546-H571 AromaticContact CE1-CD2 3.37Å; F546-H571 WeakPolarHBondContact CE1-CD2 3.46Å; F546-H571 AromaticContact CE1-CG 3.91Å; F546-H571 AromaticContact CE1-NE2 3.72Å; N561-H571 PolarHBondContact O-CD2 2.96Å; H571-L573 VanDerWaalsContact C-N 3.29Å; H571-L573 PolarHBondContact O-N 2.89Å; H571-C574 HydrophobicContact CB-CB 4.07Å; H571-C574 CarbonylContact O-C 3.51Å; H571-C574 PolarHBondContact O-N 2.89Å; H571-C574 VanDerWaalsContact O-N 3.07Å; H571-Y575 PolarHBondContact O-N 3.41Å
572P77.3Confident73.2Confident36 Ų3667.7 Ų67.723%0.23441%0.407CS..Hα-helixtrans-50.9-42.9-179.9-31.232.7000114.7N561 Y575 Q576N561-P572 WeakPolarHBondContact O-CD 3.15Å; P572-Y575 PolarHBondContact O-N 3.01Å; P572-Q576 WeakPolarHBondContact O-CG 3.43Å; P572-Q576 PolarHBondContact O-N 2.7Å
573L71.1Confident71.5Confident120 Ų12072.3 Ų72.363%0.62844%0.435SS*.Hα-helixtrans-65.8-51.1175.5-62.9175.9000111H571 Y575 Q576 D577H571-L573 VanDerWaalsContact C-N 3.29Å; H571-L573 PolarHBondContact O-N 2.89Å; L573-Y575 PolarHBondContact O-N 3.45Å; L573-Y575 VanDerWaalsContact O-N 3.13Å; L573-Q576 CarbonylContact O-C 3.55Å; L573-Q576 WeakPolarHBondContact O-CA 3.45Å; L573-Q576 WeakPolarHBondContact O-CB 3.18Å; L573-Q576 PolarHBondContact O-N 3.18Å; L573-D577 PolarHBondContact O-N 2.89Å
574C78.4Confident69.7Low20 Ų2079.4 Ų79.414%0.13547%0.465CS..Hα-helixtrans-60.1-26.4177-59.10000113.7V541 H571 F578V541-C574 HydrophobicContact CB-CB 3.93Å; V541-C574 HydrophobicContact CG1-CB 4.04Å; V541-C574 HydrophobicContact CG2-CB 4.34Å; H571-C574 HydrophobicContact CB-CB 4.07Å; H571-C574 CarbonylContact O-C 3.51Å; H571-C574 PolarHBondContact O-N 2.89Å; H571-C574 VanDerWaalsContact O-N 3.07Å; C574-F578 WeakPolarHBondContact O-CB 3.5Å; C574-F578 PolarHBondContact O-N 3.24Å
575Y80.8Confident67.5Low38 Ų3881.3 Ų81.315%0.14948%0.477CS..Hα-helixtrans-73.9-42169.8-174.3-106.5000111.8V565 Y570 H571 P572 L573 D577 F578 A579V565-Y575 HydrophobicContact CB-CD2 4.43Å; V565-Y575 HydrophobicContact CB-CE2 3.89Å; V565-Y575 HydrophobicContact CG1-CE2 3.9Å; V565-Y575 HydrophobicContact CG2-CD2 4.04Å; V565-Y575 HydrophobicContact CG2-CE1 4.22Å; V565-Y575 HydrophobicContact CG2-CE2 3.71Å; V565-Y575 HydrophobicContact CG2-CG 4.46Å; Y570-Y575 HydrophobicContact CD1-CD2 4.05Å; Y570-Y575 AromaticContact CD2-CD2 3.9Å; Y570-Y575 HydrophobicContact CD2-CD2 3.9Å; Y570-Y575 HydrophobicContact CE1-CD2 4.26Å; Y570-Y575 HydrophobicContact CE2-CD2 4.11Å; Y570-Y575 HydrophobicContact CE2-CE2 4.5Å; Y570-Y575 AromaticContact CG-CD2 3.88Å; Y570-Y575 HydrophobicContact CG-CD2 3.88Å; Y570-Y575 HydrophobicContact CG-CG 4.42Å; H571-Y575 PolarHBondContact O-N 3.41Å; P572-Y575 PolarHBondContact O-N 3.01Å; L573-Y575 PolarHBondContact O-N 3.45Å; L573-Y575 VanDerWaalsContact O-N 3.13Å; Y575-D577 VanDerWaalsContact C-N 3.3Å; Y575-D577 PolarHBondContact O-N 3.07Å; Y575-F578 PolarHBondContact O-N 2.69Å; Y575-A579 HydrophobicContact CE1-CB 4.14Å; Y575-A579 WeakPolarHBondContact O-CA 3.25Å; Y575-A579 WeakPolarHBondContact O-CB 3.44Å; Y575-A579 PolarHBondContact O-N 3.03Å
576Q74.8Confident65.6Low136 Ų13685.9 Ų85.964%0.63651%0.507SS*.Hα-helixtrans-60.5-39.3174.3-71.4170.8-7.500112.1P572 L573P572-Q576 WeakPolarHBondContact O-CG 3.43Å; P572-Q576 PolarHBondContact O-N 2.7Å; L573-Q576 CarbonylContact O-C 3.55Å; L573-Q576 WeakPolarHBondContact O-CA 3.45Å; L573-Q576 WeakPolarHBondContact O-CB 3.18Å; L573-Q576 PolarHBondContact O-N 3.18Å
577D72.8Confident63.6Low136 Ų13683.6 Ų83.673%0.72750%0.5SS*.Hα-helixtrans-72.5-27.1177.2-59.6-39.4000113.1L573 Y575L573-D577 PolarHBondContact O-N 2.89Å; Y575-D577 VanDerWaalsContact C-N 3.3Å; Y575-D577 PolarHBondContact O-N 3.07Å
578F72.2Confident61.8Low108 Ų10888 Ų8847%0.47452%0.516SS..Hα-helixtrans-97-20.2-178179.6-95.9000113.9V541 Y570 C574 Y575 P580V541-F578 HydrophobicContact CG2-CB 3.75Å; V541-F578 HydrophobicContact CG2-CD2 3.95Å; V541-F578 HydrophobicContact CG2-CG 3.83Å; Y570-F578 AromaticContact CE1-CD1 3.62Å; Y570-F578 HydrophobicContact CE1-CD1 3.62Å; Y570-F578 HydrophobicContact CE1-CE1 4.02Å; Y570-F578 HydrophobicContact CE1-CG 4.15Å; Y570-F578 WeakPolarHBondContact OH-CE1 3.3Å; C574-F578 WeakPolarHBondContact O-CB 3.5Å; C574-F578 PolarHBondContact O-N 3.24Å; Y575-F578 PolarHBondContact O-N 2.69Å; F578-P580 WeakPolarHBondContact O-CD 3.3Å
579A63.7Low59.9Low37 Ų3787.3 Ų87.331%0.30653%0.526SS..  trans-63.6119.9-172.700000110.9Y575 A581Y575-A579 HydrophobicContact CE1-CB 4.14Å; Y575-A579 WeakPolarHBondContact O-CA 3.25Å; Y575-A579 WeakPolarHBondContact O-CB 3.44Å; Y575-A579 PolarHBondContact O-N 3.03Å; A579-A581 PolarHBondContact O-N 3.11Å
580P56.2Low57.6Low90 Ų9095 Ų9558%0.58457%0.566SS**  trans-63129171.127.3-33.1000108.6F578 G582F578-P580 WeakPolarHBondContact O-CD 3.3Å; P580-G582 PolarHBondContact O-N 3.38Å
581A51.6Low55.5Low117 Ų11799.7 Ų99.797%0.96760%0.598SS**THydrogen-bonded Turntrans-58.8107.1-175.800000110.9A579A579-A581 PolarHBondContact O-N 3.11Å
582G53.6Low53.2Low77 Ų77106.8 Ų106.879%0.79464%0.636SS**THydrogen-bonded Turntrans144.52.8-177.100000117P580P580-G582 PolarHBondContact O-N 3.38Å
583V45.7Very low51.3Low97 Ų97109.9 Ų109.959%0.58866%0.658SS**  trans-108.3115.4174.7-173.90000110.5
584E39.8Very low50Low186 Ų186114.9 Ų114.987%0.86969%0.693SS**  trans-76138.9-178.4-61.3-174.5152.100112.4
585T33.1Very low48.6Very low107 Ų107119.6 Ų119.666%0.65672%0.721SS**  trans-82.3126176.549.70000111.5T587T585-T587 PolarHBondContact O-N 2.63Å; T585-T587 PolarHBondContact O-OG1 2.81Å
586P34.8Very low46.9Very low125 Ų125123.9 Ų123.981%0.81275%0.751SS**  trans-67.6105.617727.3-33.6000110.5V588P586-V588 PolarHBondContact O-N 3.43Å
587T35Very low45.3Very low116 Ų116123.2 Ų123.271%0.71276%0.757SS**  trans-86.1104.3-174.4-53.10000110.1T585 S589T585-T587 PolarHBondContact O-N 2.63Å; T585-T587 PolarHBondContact O-OG1 2.81Å; T587-S589 PolarHBondContact O-N 3.39Å; T587-S589 VanDerWaalsContact O-N 3.12Å
588V36.5Very low43.7Very low143 Ų143122.5 Ų122.587%0.86776%0.759SS**  trans-79.692.5173-177.40000109.2P586P586-V588 PolarHBondContact O-N 3.43Å
589S37.8Very low41.9Very low99 Ų99123.4 Ų123.469%0.69278%0.777SS**  trans-82131.5174.541.60000111.7T587T587-S589 PolarHBondContact O-N 3.39Å; T587-S589 VanDerWaalsContact O-N 3.12Å
590L30.6Very low40.5Very low164 Ų164129.1 Ų129.186%0.85981%0.808SS**  trans-72.4131.4170.1-85.7151.4000110.2L592L590-L592 PolarHBondContact O-N 2.71Å
591P38.6Very low39.4Very low112 Ų112131.9 Ų131.973%0.72782%0.824SS**  trans-73.2112.8169.829.1-31.8000110
592L32.2Very low38.4Very low179 Ų179133.1 Ų133.194%0.93781%0.814SS**  trans-84118.8159.1-82.5167.9000108.4L590L590-L592 PolarHBondContact O-N 2.71Å
593S38.6Very low37.2Very low100 Ų100137.8 Ų137.870%0.69982%0.815SS**  trans-14796.1175.859.10000111.4
594V43.5Very low36.4Very low225 Ų225141.5 Ų141.5100%1.36484%0.836SS**  trans59.30169.2-165.60000115.7

Retrieved 594 of 594 residues in 247.1 ms (Link to these results)

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