A0A077ZKK7_TRITR Loading...

RRM 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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
1M71.3Confident81.4Confident91 Ų9182.9 Ų82.945%0.44842%0.424SS..  0-540-169.6-168.5-68.100109.6D3 A4 E5 M32M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-A4 PolarHBondContact O-N 2.88Å; M1-E5 PolarHBondContact O-N 2.85Å; M1-M32 HydrophobicContact CE-CB 4.27Å; M1-M32 HydrophobicContact CE-CE 4.19Å; M1-M32 HydrophobicContact CE-CG 3.95Å
2L81Confident81.5Confident126 Ų12688.8 Ų88.866%0.6644%0.444SS*.Hα-helixtrans-53.2-47.4-179.2-64.1172.8000113.1A4 E5 L6L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.12Å; L2-E5 PolarHBondContact O-N 3.36Å; L2-E5 VanDerWaalsContact O-N 3.09Å; L2-L6 WeakPolarHBondContact O-CG 3.47Å; L2-L6 PolarHBondContact O-N 2.85Å
3D82.3Confident81.5Confident130 Ų13094.8 Ų94.870%0.69547%0.47SS*.Hα-helixtrans-58.2-39.4-178.1-49.8-16.4000113.1M1 E7M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; D3-E7 PolarHBondContact O-N 3.01Å
4A80.4Confident81.4Confident9 Ų992.7 Ų92.77%0.07447%0.469CS..Hα-helixtrans-76.3-29.6179.100000113M1 L2 L8 L28M1-A4 PolarHBondContact O-N 2.88Å; L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.12Å; A4-L8 PolarHBondContact O-N 3.1Å; A4-L28 HydrophobicContact CB-CD1 4.2Å
5E81.4Confident81.2Confident61 Ų6191.1 Ų91.129%0.28548%0.484SS..Hα-helixtrans-71.4-36.4173.4-76.5-178.916700111.1M1 L2 L8 M9 L25 R29M1-E5 PolarHBondContact O-N 2.85Å; L2-E5 PolarHBondContact O-N 3.36Å; L2-E5 VanDerWaalsContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 3.31Å; E5-M9 PolarHBondContact O-N 3.17Å; E5-L25 HydrophobicContact CG-CD1 3.89Å; E5-R29 IonicContact OE1-CZ 3.97Å; E5-R29 IonicContact OE1-NH2 3.47Å; E5-R29 PolarHBondContact OE1-NH2 3.38Å
6L86.3Confident81Confident105 Ų10591.9 Ų91.955%0.5549%0.485SS..Hα-helixtrans-66.1-46.5173.5-69.7174.7000111.8L2 L8 M9 T10L2-L6 WeakPolarHBondContact O-CG 3.47Å; L2-L6 PolarHBondContact O-N 2.85Å; L6-L8 PolarHBondContact O-N 3.4Å; L6-M9 WeakPolarHBondContact O-CB 3.5Å; L6-M9 PolarHBondContact O-N 3.41Å; L6-T10 PolarHBondContact O-N 3.32Å; L6-T10 PolarHBondContact O-OG1 3.31Å
7E82Confident80.8Confident61 Ų6194.9 Ų94.929%0.28550%0.501SS..Hα-helixtrans-57.9-32.6176.2-167.3176.4-178.500111.9D3 R11 L21D3-E7 PolarHBondContact O-N 3.01Å; E7-R11 WeakPolarHBondContact O-CB 3.47Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 2.96Å; E7-R11 IonicContact OE1-CZ 2.93Å; E7-R11 IonicContact OE1-NE 3.97Å; E7-R11 IonicContact OE1-NH1 3.66Å; E7-R11 IonicContact OE1-NH2 3.48Å; E7-R11 PolarHBondContact OE1-NH2 3.29Å; E7-L21 HydrophobicContact CB-CD1 4.39Å; E7-L21 HydrophobicContact CB-CD2 4.25Å; E7-L21 HydrophobicContact CG-CD1 4.2Å; E7-L21 HydrophobicContact CG-CD2 4.14Å
8L81.7Confident81.1Confident47 Ų4792.2 Ų92.225%0.24649%0.487CS..Hα-helixtrans-72.5-34.1177.5-175.4136.4000112.4A4 E5 L6 K12 L21 I22 L25A4-L8 PolarHBondContact O-N 3.1Å; E5-L8 PolarHBondContact O-N 3.31Å; L6-L8 PolarHBondContact O-N 3.4Å; L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 3.38Å; L8-K12 VanDerWaalsContact O-N 3.15Å; L8-L21 HydrophobicContact CB-CD2 3.59Å; L8-L21 HydrophobicContact CB-CG 4.34Å; L8-L21 HydrophobicContact CD1-CD2 4.34Å; L8-L21 HydrophobicContact CD1-CG 4.48Å; L8-L21 HydrophobicContact CG-CD2 4.25Å; L8-I22 HydrophobicContact CD1-CG1 4.03Å; L8-L25 HydrophobicContact CD1-CD1 4.18Å
9M80.9Confident81.3Confident120 Ų12092.4 Ų92.459%0.59149%0.492SS*.Hα-helixtrans-67.5-47.6172.8-68.5-178160.100110.6E5 L6 R11 K12 E13E5-M9 PolarHBondContact O-N 3.17Å; L6-M9 WeakPolarHBondContact O-CB 3.5Å; L6-M9 PolarHBondContact O-N 3.41Å; M9-R11 PolarHBondContact O-N 3.48Å; M9-K12 PolarHBondContact O-N 2.98Å; M9-E13 PolarHBondContact O-N 3.11Å
10T84.9Confident81.5Confident91 Ų9195.8 Ų95.856%0.55851%0.505SS*.Hα-helixtrans-61.6-46.2-179.9-510000112.2L6 K12 E13 S14L6-T10 PolarHBondContact O-N 3.32Å; L6-T10 PolarHBondContact O-OG1 3.31Å; T10-K12 VanDerWaalsContact C-N 3.33Å; T10-K12 PolarHBondContact O-N 2.89Å; T10-E13 PolarHBondContact O-N 2.93Å; T10-S14 PolarHBondContact O-N 3.5Å; T10-S14 VanDerWaalsContact O-N 3.13Å
11R82.9Confident81.6Confident71 Ų7191.3 Ų91.327%0.26848%0.481SS..Hα-helixtrans-70.2-28.4179.1-73.5-165.2-178.614513.6114E7 M9 E13 S14 G15 E16 L18E7-R11 WeakPolarHBondContact O-CB 3.47Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 2.96Å; E7-R11 IonicContact OE1-CZ 2.93Å; E7-R11 IonicContact OE1-NE 3.97Å; E7-R11 IonicContact OE1-NH1 3.66Å; E7-R11 IonicContact OE1-NH2 3.48Å; E7-R11 PolarHBondContact OE1-NH2 3.29Å; M9-R11 PolarHBondContact O-N 3.48Å; R11-E13 VanDerWaalsContact C-N 3.25Å; R11-E13 PolarHBondContact O-N 3.17Å; R11-S14 WeakPolarHBondContact CA-OG 3.49Å; R11-S14 PolarHBondContact O-N 3.13Å; R11-S14 PolarHBondContact O-OG 2.85Å; R11-G15 PolarHBondContact O-N 2.9Å; R11-E16 HydrophobicContact CB-CB 4.37Å; R11-E16 WeakPolarHBondContact CD-OE2 3.45Å; R11-E16 IonicContact NE-OE2 3.49Å; R11-E16 PolarHBondContact NE-OE2 3.2Å; R11-E16 PolarHBondContact O-N 3.37Å; R11-L18 HydrophobicContact CB-CD2 3.59Å
12K82.7Confident82.3Confident153 Ų15390.7 Ų90.767%0.66548%0.479SS*.Hα-helixtrans-66.4-33174.4-176.1179.8176.8-173.30111.2L8 M9 T10 L18L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 3.38Å; L8-K12 VanDerWaalsContact O-N 3.15Å; M9-K12 PolarHBondContact O-N 2.98Å; T10-K12 VanDerWaalsContact C-N 3.33Å; T10-K12 PolarHBondContact O-N 2.89Å; K12-L18 HydrophobicContact CB-CD1 4.25Å; K12-L18 HydrophobicContact CG-CD1 4.42Å
13E82Confident82.8Confident168 Ų16889.3 Ų89.379%0.78548%0.476SS*.Hα-helixtrans-74.8-35.9174.2-68.4173.4179.100112M9 T10 R11 G15M9-E13 PolarHBondContact O-N 3.11Å; T10-E13 PolarHBondContact O-N 2.93Å; R11-E13 VanDerWaalsContact C-N 3.25Å; R11-E13 PolarHBondContact O-N 3.17Å; E13-G15 VanDerWaalsContact C-N 3.3Å; E13-G15 PolarHBondContact O-N 3.3Å
14S79.6Confident83Confident65 Ų6590.1 Ų90.146%0.45547%0.469SS..Hα-helixtrans-78-9.7176.570.10000114.6T10 R11 E16T10-S14 PolarHBondContact O-N 3.5Å; T10-S14 VanDerWaalsContact O-N 3.13Å; R11-S14 WeakPolarHBondContact CA-OG 3.49Å; R11-S14 PolarHBondContact O-N 3.13Å; R11-S14 PolarHBondContact O-OG 2.85Å; S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 3.32Å; S14-E16 WeakPolarHBondContact OG-CG 3.27Å; S14-E16 PolarHBondContact OG-OE1 2.74Å
15G78.4Confident83.4Confident68 Ų6890.3 Ų90.370%0.70147%0.469SS*.THydrogen-bonded Turntrans74.217178.400000114.4R11 E13R11-G15 PolarHBondContact O-N 2.9Å; E13-G15 VanDerWaalsContact C-N 3.3Å; E13-G15 PolarHBondContact O-N 3.3Å
16E78.6Confident83.7Confident104 Ų10492.8 Ų92.849%0.48648%0.48SS..  trans-75.9155.8179.3-74.6165.1-142.200112.6R11 S14 L18R11-E16 HydrophobicContact CB-CB 4.37Å; R11-E16 WeakPolarHBondContact CD-OE2 3.45Å; R11-E16 IonicContact NE-OE2 3.49Å; R11-E16 PolarHBondContact NE-OE2 3.2Å; R11-E16 PolarHBondContact O-N 3.37Å; S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 3.32Å; S14-E16 WeakPolarHBondContact OG-CG 3.27Å; S14-E16 PolarHBondContact OG-OE1 2.74Å; E16-L18 WeakPolarHBondContact O-CD2 3.42Å; E16-L18 WeakPolarHBondContact O-CG 3.5Å; E16-L18 PolarHBondContact O-N 3.14Å; E16-L18 VanDerWaalsContact O-N 3.14Å
17D78Confident84Confident144 Ų14495.7 Ų95.777%0.7748%0.484SS*.  trans-58.9115.8177.6-80.8-33.2000111.9
18L85Confident84.2Confident46 Ų4695.1 Ų95.124%0.24148%0.483CS..  trans-89.3-4-174-56.4178.1000113.8R11 K12 E16 E20 L21 I22R11-L18 HydrophobicContact CB-CD2 3.59Å; K12-L18 HydrophobicContact CB-CD1 4.25Å; K12-L18 HydrophobicContact CG-CD1 4.42Å; E16-L18 WeakPolarHBondContact O-CD2 3.42Å; E16-L18 WeakPolarHBondContact O-CG 3.5Å; E16-L18 PolarHBondContact O-N 3.14Å; E16-L18 VanDerWaalsContact O-N 3.14Å; L18-E20 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 2.76Å; L18-I22 HydrophobicContact CB-CD1 4.04Å; L18-I22 HydrophobicContact CB-CG1 4.49Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.3Å; L18-I22 PolarHBondContact O-N 3.16Å
19T84.8Confident84.5Confident95 Ų9598.5 Ų98.558%0.58349%0.492SS*.Hα-helixtrans-60.9-49-168.253.10000112.5L21 I22 V23T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.37Å; T19-I22 PolarHBondContact O-N 3.37Å; T19-V23 WeakPolarHBondContact O-CG2 3.49Å; T19-V23 PolarHBondContact O-N 2.91Å
20E85.9Confident84.8Confident160 Ų16098.5 Ų98.575%0.74849%0.492SS*.Hα-helixtrans-63.4-37.9178.7-63.4-168165.400112.3L18 V23 R24L18-E20 PolarHBondContact O-N 3.47Å; E20-V23 PolarHBondContact O-N 3.12Å; E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 3.01Å
21L83.4Confident84.8Confident3 Ų398.5 Ų98.52%0.01649%0.486CS..Hα-helixtrans-71.4-39.3-177.1-167.864.7000111.6E7 L8 L18 T19 R24 L25E7-L21 HydrophobicContact CB-CD1 4.39Å; E7-L21 HydrophobicContact CB-CD2 4.25Å; E7-L21 HydrophobicContact CG-CD1 4.2Å; E7-L21 HydrophobicContact CG-CD2 4.14Å; L8-L21 HydrophobicContact CB-CD2 3.59Å; L8-L21 HydrophobicContact CB-CG 4.34Å; L8-L21 HydrophobicContact CD1-CD2 4.34Å; L8-L21 HydrophobicContact CD1-CG 4.48Å; L8-L21 HydrophobicContact CG-CD2 4.25Å; L18-L21 PolarHBondContact O-N 2.76Å; T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.37Å; L21-R24 PolarHBondContact O-N 2.92Å; L21-L25 VanDerWaalsContact O-CB 3.32Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 PolarHBondContact O-N 3.43Å
22I86.8Confident84.8Confident78 Ų7898.7 Ų98.740%0.449%0.49SS..Hα-helixtrans-59.8-48.3173.2-68.4164.2000110.3L8 L18 T19 R24 L25 E26L8-I22 HydrophobicContact CD1-CG1 4.03Å; L18-I22 HydrophobicContact CB-CD1 4.04Å; L18-I22 HydrophobicContact CB-CG1 4.49Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.3Å; L18-I22 PolarHBondContact O-N 3.16Å; T19-I22 PolarHBondContact O-N 3.37Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 2.78Å; I22-L25 PolarHBondContact O-N 3.09Å; I22-L25 VanDerWaalsContact O-N 3.14Å; I22-E26 PolarHBondContact O-N 3.07Å
23V91Very high84.7Confident97 Ų97100.5 Ų100.559%0.58849%0.493SS*.Hα-helixtrans-59.1-43.5177.9172.10000111.1T19 E20 L25 E26 R27T19-V23 WeakPolarHBondContact O-CG2 3.49Å; T19-V23 PolarHBondContact O-N 2.91Å; E20-V23 PolarHBondContact O-N 3.12Å; V23-L25 VanDerWaalsContact C-N 3.34Å; V23-L25 PolarHBondContact O-N 3.31Å; V23-E26 PolarHBondContact O-N 3.48Å; V23-R27 PolarHBondContact O-N 3.46Å
24R86.9Confident84.6Confident146 Ų146100.5 Ų100.555%0.55149%0.491SS*.Hα-helixtrans-62.1-41.8176.9-172.1177.4-176.4-179.80.6111.9E20 L21 I22 R27 L28E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 3.01Å; L21-R24 PolarHBondContact O-N 2.92Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 2.78Å; R24-R27 PolarHBondContact O-N 3.49Å; R24-L28 HydrophobicContact CG-CD1 4.18Å; R24-L28 PolarHBondContact O-N 3.27Å
25L87.8Confident84.3Confident14 Ų14103 Ų1037%0.07350%0.498CS..Hα-helixtrans-67.6-41.5-178.9-159.4157.8000111.4E5 L8 L21 I22 V23 L28 R29E5-L25 HydrophobicContact CG-CD1 3.89Å; L8-L25 HydrophobicContact CD1-CD1 4.18Å; L21-L25 VanDerWaalsContact O-CB 3.32Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 PolarHBondContact O-N 3.43Å; I22-L25 PolarHBondContact O-N 3.09Å; I22-L25 VanDerWaalsContact O-N 3.14Å; V23-L25 VanDerWaalsContact C-N 3.34Å; V23-L25 PolarHBondContact O-N 3.31Å; L25-L28 PolarHBondContact O-N 3.41Å; L25-R29 HydrophobicContact CD2-CG 4.1Å; L25-R29 VanDerWaalsContact CD2-NE 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.3Å; L25-R29 PolarHBondContact O-N 2.84Å
26E89Confident83.7Confident112 Ų112104.6 Ų104.652%0.52349%0.491SS..Hα-helixtrans-61.8-43.4173.4-72.5-170.6158.700112.3I22 V23 L28 R29 M30I22-E26 PolarHBondContact O-N 3.07Å; V23-E26 PolarHBondContact O-N 3.48Å; E26-L28 PolarHBondContact O-N 2.89Å; E26-R29 PolarHBondContact O-N 3.19Å; E26-M30 PolarHBondContact O-N 3.06Å
27R90.8Very high82.9Confident166 Ų166102.4 Ų102.463%0.62649%0.49SS*.Hα-helixtrans-59.1-47.3175.3-174.9-179.5172.7-169.41.2111.7V23 R24 R29 M30 E31V23-R27 PolarHBondContact O-N 3.46Å; R24-R27 PolarHBondContact O-N 3.49Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 PolarHBondContact O-N 3.48Å; R27-M30 WeakPolarHBondContact O-CB 3.43Å; R27-M30 PolarHBondContact O-N 3.36Å; R27-E31 IonicContact NE-OE1 3.59Å; R27-E31 PolarHBondContact NE-OE1 2.76Å; R27-E31 IonicContact NH2-OE1 3.4Å; R27-E31 PolarHBondContact O-N 2.87Å
28L88.1Confident81.9Confident50 Ų50103.9 Ų103.926%0.26249%0.492SS..Hα-helixtrans-61.5-40.7176.2-82.7158.2000112A4 R24 L25 E26 M30 E31 M32A4-L28 HydrophobicContact CB-CD1 4.2Å; R24-L28 HydrophobicContact CG-CD1 4.18Å; R24-L28 PolarHBondContact O-N 3.27Å; L25-L28 PolarHBondContact O-N 3.41Å; E26-L28 PolarHBondContact O-N 2.89Å; L28-M30 VanDerWaalsContact C-N 3.3Å; L28-M30 PolarHBondContact O-N 3.42Å; L28-E31 PolarHBondContact O-N 2.96Å; L28-M32 VanDerWaalsContact O-CG 3.29Å; L28-M32 WeakPolarHBondContact O-CG 3.43Å; L28-M32 PolarHBondContact O-N 2.88Å
29R87Confident80.3Confident118 Ų118109 Ų10945%0.44552%0.515SS..Hα-helixtrans-62.2-37.9175.1-78.3-179.6174.6154.34.3111.9E5 L25 E26 R27 R33E5-R29 IonicContact OE1-CZ 3.97Å; E5-R29 IonicContact OE1-NH2 3.47Å; E5-R29 PolarHBondContact OE1-NH2 3.38Å; L25-R29 HydrophobicContact CD2-CG 4.1Å; L25-R29 VanDerWaalsContact CD2-NE 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.3Å; L25-R29 PolarHBondContact O-N 2.84Å; E26-R29 PolarHBondContact O-N 3.19Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 PolarHBondContact O-N 3.48Å; R29-R33 WeakPolarHBondContact O-CB 3Å; R29-R33 WeakPolarHBondContact O-CG 3.3Å; R29-R33 PolarHBondContact O-N 2.84Å
30M87.4Confident78.8Confident120 Ų120113 Ų11359%0.59152%0.524SS*.Hα-helixtrans-65.8-43.6173.5-74.8-169.5-85.300112.4E26 R27 L28 R33 K34E26-M30 PolarHBondContact O-N 3.06Å; R27-M30 WeakPolarHBondContact O-CB 3.43Å; R27-M30 PolarHBondContact O-N 3.36Å; L28-M30 VanDerWaalsContact C-N 3.3Å; L28-M30 PolarHBondContact O-N 3.42Å; M30-R33 PolarHBondContact O-N 2.81Å; M30-K34 WeakPolarHBondContact O-CB 3.35Å; M30-K34 PolarHBondContact O-N 3.13Å
31E85Confident77.4Confident90 Ų90112 Ų11242%0.42152%0.523SS..Hα-helixtrans-61.7-45176.4-73.9177.4-174.500111.6R27 L28 R33 K34 L35R27-E31 IonicContact NE-OE1 3.59Å; R27-E31 PolarHBondContact NE-OE1 2.76Å; R27-E31 IonicContact NH2-OE1 3.4Å; R27-E31 PolarHBondContact O-N 2.87Å; L28-E31 PolarHBondContact O-N 2.96Å; E31-R33 PolarHBondContact O-N 2.88Å; E31-K34 WeakPolarHBondContact O-CB 3.47Å; E31-K34 PolarHBondContact O-N 3.29Å; E31-K34 VanDerWaalsContact O-N 3.15Å; E31-L35 WeakPolarHBondContact O-CG 3.24Å; E31-L35 PolarHBondContact O-N 3.25Å
32M82.8Confident75.9Confident75 Ų75116.7 Ų116.737%0.36955%0.553SS.*Hα-helixtrans-62.7-40.3175.5-67.6-69.1-80.100112M1 L28 K34 L35 N36M1-M32 HydrophobicContact CE-CB 4.27Å; M1-M32 HydrophobicContact CE-CE 4.19Å; M1-M32 HydrophobicContact CE-CG 3.95Å; L28-M32 VanDerWaalsContact O-CG 3.29Å; L28-M32 WeakPolarHBondContact O-CG 3.43Å; L28-M32 PolarHBondContact O-N 2.88Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.1Å; M32-L35 PolarHBondContact O-N 3.01Å; M32-N36 VanDerWaalsContact O-CB 3.3Å; M32-N36 WeakPolarHBondContact O-CB 3.43Å; M32-N36 PolarHBondContact O-N 2.78Å; M32-N36 PolarHBondContact O-ND2 2.89Å; M32-N36 PolarHBondContact O-OD1 2.9Å
33R81Confident74.2Confident192 Ų192122.5 Ų122.573%0.72558%0.576SS**Hα-helixtrans-63.3-38.5173.7-81-179.2176.5166.30.6112.1R29 M30 E31 N36 A37R29-R33 WeakPolarHBondContact O-CB 3Å; R29-R33 WeakPolarHBondContact O-CG 3.3Å; R29-R33 PolarHBondContact O-N 2.84Å; M30-R33 PolarHBondContact O-N 2.81Å; E31-R33 PolarHBondContact O-N 2.88Å; R33-N36 PolarHBondContact O-N 2.95Å; R33-A37 VanDerWaalsContact O-CB 3.3Å; R33-A37 WeakPolarHBondContact O-CB 3.32Å; R33-A37 PolarHBondContact O-N 3.44Å
34K79.6Confident72.3Confident168 Ų168126.6 Ų126.673%0.7359%0.586SS**Hα-helixtrans-66.2-41.2177.4-170.3-179.9179.1-178.20111.5M30 E31 M32 A37M30-K34 WeakPolarHBondContact O-CB 3.35Å; M30-K34 PolarHBondContact O-N 3.13Å; E31-K34 WeakPolarHBondContact O-CB 3.47Å; E31-K34 PolarHBondContact O-N 3.29Å; E31-K34 VanDerWaalsContact O-N 3.15Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.1Å; K34-A37 PolarHBondContact O-N 3.39Å
35L74.1Confident70.4Confident118 Ų118125 Ų12562%0.61860%0.598SS**Hα-helixtrans-65.7-45.1174.1-67.7173.4000111.3E31 M32 A37 H38E31-L35 WeakPolarHBondContact O-CG 3.24Å; E31-L35 PolarHBondContact O-N 3.25Å; M32-L35 PolarHBondContact O-N 3.01Å; L35-A37 VanDerWaalsContact C-N 3.26Å; L35-A37 PolarHBondContact O-N 2.87Å; L35-H38 PolarHBondContact O-N 2.87Å; L35-H38 VanDerWaalsContact O-N 3.1Å
36N64.2Low68.5Low101 Ų101128.8 Ų128.854%0.5463%0.625SS.*Hα-helixtrans-68.7-23.2178-66-12000113.1M32 R33 H38 E39M32-N36 VanDerWaalsContact O-CB 3.3Å; M32-N36 WeakPolarHBondContact O-CB 3.43Å; M32-N36 PolarHBondContact O-N 2.78Å; M32-N36 PolarHBondContact O-ND2 2.89Å; M32-N36 PolarHBondContact O-OD1 2.9Å; R33-N36 PolarHBondContact O-N 2.95Å; N36-H38 PolarHBondContact O-N 3.33Å; N36-E39 PolarHBondContact O-N 2.86Å
37A62.8Low66.6Low58 Ų58131.1 Ų131.148%0.47964%0.641SS.*Hα-helixtrans-70.9-19.3173.900000112.8R33 K34 L35R33-A37 VanDerWaalsContact O-CB 3.3Å; R33-A37 WeakPolarHBondContact O-CB 3.32Å; R33-A37 PolarHBondContact O-N 3.44Å; K34-A37 PolarHBondContact O-N 3.39Å; L35-A37 VanDerWaalsContact C-N 3.26Å; L35-A37 PolarHBondContact O-N 2.87Å
38H56.6Low64.6Low174 Ų174128.6 Ų128.681%0.80664%0.644SS**THydrogen-bonded Turntrans-87.7-1.3176.5-15556.4000113.8L35 N36L35-H38 PolarHBondContact O-N 2.87Å; L35-H38 VanDerWaalsContact O-N 3.1Å; N36-H38 PolarHBondContact O-N 3.33Å
39E51.7Low62.7Low155 Ų155134.1 Ų134.172%0.72467%0.673SS**THydrogen-bonded Turntrans-10829.1172-72.1-165.2150.300113.3N36 I41N36-E39 PolarHBondContact O-N 2.86Å; E39-I41 PolarHBondContact O-N 3.03Å
40K52.5Low60.8Low177 Ų177140.4 Ų140.477%0.7770%0.696SS**  trans-76.373.6162.3-65.9-172.3-176.8-176.60109.2P42K40-P42 WeakPolarHBondContact O-CD 3.28Å
41I57.3Low58.6Low140 Ų140138.4 Ų138.472%0.71871%0.706SS**  trans-63.7113.8160.1-57.8171.6000105.6E39 F43E39-I41 PolarHBondContact O-N 3.03Å; I41-F43 PolarHBondContact O-N 2.94Å
42P52.3Low56.9Low102 Ų102138.3 Ų138.366%0.66272%0.716SS**  trans-70.2104.317429-28.5000106.3K40 K44K40-P42 WeakPolarHBondContact O-CD 3.28Å; P42-K44 PolarHBondContact O-N 3.37Å
43F50.4Low55.6Low199 Ų199140.3 Ų140.387%0.87373%0.734SS**  trans-71.872.8166.4-133.5-85.7000107.5I41 S45I41-F43 PolarHBondContact O-N 2.94Å; F43-S45 PolarHBondContact O-N 2.75Å
44K51.6Low54.4Low183 Ų183140.4 Ų140.480%0.79674%0.736SS**  trans-71.3108.8162.2-87.4-177172-176.10106.1P42 S46P42-K44 PolarHBondContact O-N 3.37Å; K44-S46 PolarHBondContact O-N 3.1Å
45S46.2Very low53.1Low114 Ų114141 Ų14180%0.79774%0.739SS**  trans-62.380.3165.6560000109.3F43 N47F43-S45 PolarHBondContact O-N 2.75Å; S45-N47 PolarHBondContact O-N 2.7Å
46S48.3Very low52.2Low93 Ų93144.5 Ų144.565%0.6575%0.752SS**  trans-8887.4168174.90000108.1K44 V48K44-S46 PolarHBondContact O-N 3.1Å; S46-V48 PolarHBondContact O-N 3.33Å
47N50.1Low51.8Low161 Ų161148.8 Ų148.886%0.86177%0.766SS**  trans-57.689.3150.3-89-10.4000107.6S45S45-N47 PolarHBondContact O-N 2.7Å
48V47.3Very low51.5Low112 Ų112150 Ų15068%0.67978%0.777SS**  trans-177.1109.7156.9169.40000104.5S46S46-V48 PolarHBondContact O-N 3.33Å
49L48.6Very low51.6Low167 Ų167151.1 Ų151.187%0.87478%0.779SS**  trans178.1102.1133.8-90.9162.3000108.1
50R47.1Very low52Low249 Ų249155 Ų15594%0.9479%0.787SS**  trans-60.1141.8164.8-68.7175.9-175.9-162.5-1.5109.4
51G41.5Very low52.3Low78 Ų78153.9 Ų153.980%0.80479%0.789SS**  trans90.392.3148.300000116.6
52S50Low52.5Low88 Ų88150.3 Ų150.362%0.61579%0.787SS**  trans-176.9111.1131.3-176.10000109.9Y54S52-Y54 VanDerWaalsContact C-N 3.31Å; S52-Y54 PolarHBondContact O-N 2.95Å
53P54.5Low53.1Low117 Ų117157 Ų15776%0.7680%0.799SS**THydrogen-bonded Turntrans-83.58.6-17627.5-26.2000115.3
54Y56.5Low54.1Low195 Ų195153.6 Ų153.677%0.76579%0.789SS**THydrogen-bonded Turntrans-1190.7-168.2-70.6-74.1000117S52S52-Y54 VanDerWaalsContact C-N 3.31Å; S52-Y54 PolarHBondContact O-N 2.95Å
55F51Low55.2Low179 Ų179148.7 Ų148.779%0.78578%0.776SS**  trans-143.262.6-177-82.6-87.3000113.6K57F55-K57 PolarHBondContact O-N 2.79Å
56Q55.6Low56.3Low193 Ų193155.6 Ų155.690%0.90278%0.784SS**  trans-87.788.9159.3-71.7-165.3-35.200109.1A58Q56-A58 PolarHBondContact O-N 3.48Å
57K57.1Low57.5Low190 Ų190155.6 Ų155.683%0.82679%0.785SS**  trans-50.1106.7163.4-78.7-177.1174.3-179.10107.8F55 K59F55-K57 PolarHBondContact O-N 2.79Å; K57-K59 PolarHBondContact O-N 2.93Å
58A54.7Low58.6Low85 Ų85149.9 Ų149.970%0.70276%0.76SS**  trans-54.599.3173.600000108.5Q56 R60Q56-A58 PolarHBondContact O-N 3.48Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.78Å
59K60Low59.9Low196 Ų196151.8 Ų151.885%0.85277%0.766SS**  trans-65.397.9167.4-73.9-171.5176.5-175.90106.1K57 N61K57-K59 PolarHBondContact O-N 2.93Å; K59-N61 PolarHBondContact O-N 2.91Å
60R60.3Low61.2Low236 Ų236150 Ų15089%0.89176%0.757SS**SBendtrans-66.426179.6-68.817283.3169.54.3114A58A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.78Å
61N58.4Low62.8Low154 Ų154142.6 Ų142.682%0.82474%0.735SS**  trans-112.853.9169.1-62.55.4000108K59 R63K59-N61 PolarHBondContact O-N 2.91Å; N61-R63 PolarHBondContact O-N 3.17Å
62G60.8Low64.9Low65 Ų65147 Ų14767%0.6773%0.733SS**  trans-69.299.5173.600000108.2I64G62-I64 PolarHBondContact O-N 2.62Å
63R66Low66.7Low242 Ų242150 Ų15091%0.91373%0.73SS**PPolyproline II helixtrans-47.7118.5161.2-75.1-177.7177.5-179.2-1.2106.2N61N61-R63 PolarHBondContact O-N 3.17Å
64I70.6Confident68.5Low129 Ų129145 Ų14566%0.66270%0.698SS**PPolyproline II helixtrans-47.7121.1174.2-65.1171.3000105.8G62 R66 A68G62-I64 PolarHBondContact O-N 2.62Å; I64-R66 PolarHBondContact O-N 3.03Å; I64-A68 HydrophobicContact CG2-CB 3.27Å
65P73.9Confident70.3Confident80 Ų80139.7 Ų139.752%0.51968%0.676SS.*PPolyproline II helixtrans-57.3141.7-176.223-31.2000107.5S67 A68P65-S67 PolarHBondContact O-N 2.59Å; P65-A68 HydrophobicContact CG-CB 4.05Å; P65-A68 VanDerWaalsContact O-CB 3.24Å; P65-A68 WeakPolarHBondContact O-CB 3.34Å; P65-A68 PolarHBondContact O-N 3.04Å
66R69.8Low72.4Confident258 Ų258131.4 Ų131.497%0.97464%0.641SS**THydrogen-bonded Turntrans-59.3-14.3178.1-69.5-166.3-68.5-125.61113I64I64-R66 PolarHBondContact O-N 3.03Å
67S74.4Confident74.2Confident94 Ų94122.2 Ų122.266%0.65760%0.598SS**THydrogen-bonded Turntrans-86.4-3.3171.858.40000114.5P65 N69P65-S67 PolarHBondContact O-N 2.59Å; S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 PolarHBondContact O-N 3.33Å
68A73.4Confident76Confident41 Ų41113.2 Ų113.234%0.33956%0.559SS.*  trans-69.992.6170.600000108I64 P65 L70I64-A68 HydrophobicContact CG2-CB 3.27Å; P65-A68 HydrophobicContact CG-CB 4.05Å; P65-A68 VanDerWaalsContact O-CB 3.24Å; P65-A68 WeakPolarHBondContact O-CB 3.34Å; P65-A68 PolarHBondContact O-N 3.04Å; A68-L70 PolarHBondContact O-N 3.28Å
69N73.3Confident77.9Confident152 Ų152109.2 Ų109.281%0.81353%0.526SS*.  trans-64.9107.1170.4-67.8-37.5000107.7S67 D71S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 PolarHBondContact O-N 3.33Å; N69-D71 PolarHBondContact O-N 3.22Å
70L77.4Confident79.5Confident129 Ų129101.9 Ų101.968%0.67549%0.493SS*.  trans-63.9119.5167.5-65.7173.1000107.3A68 K72A68-L70 PolarHBondContact O-N 3.28Å; L70-K72 PolarHBondContact O-N 3.31Å; L70-K72 VanDerWaalsContact O-N 3.09Å
71D80.2Confident80.8Confident93 Ų9396.2 Ų96.250%0.49748%0.48SS..  trans-70.2107177-169.61.1000109.2N69 R73 R123N69-D71 PolarHBondContact O-N 3.22Å; D71-R73 VanDerWaalsContact OD1-CB 3.25Å; D71-R73 WeakPolarHBondContact OD1-CB 3.5Å; D71-R73 WeakPolarHBondContact OD1-CD 3.34Å; D71-R73 WeakPolarHBondContact OD1-CG 3.33Å; D71-R73 PolarHBondContact OD1-N 2.96Å; D71-R73 IonicContact OD1-NE 2.65Å; D71-R123 WeakPolarHBondContact OD2-CG 3.45Å
72K84.8Confident82.4Confident171 Ų17188.9 Ų88.974%0.74344%0.441SS*.  trans-99.75.5178.4-64.5-178.2-179.1-176.20112.4L70L70-K72 PolarHBondContact O-N 3.31Å; L70-K72 VanDerWaalsContact O-N 3.09Å
73R88.7Confident84Confident150 Ų15089.6 Ų89.657%0.56643%0.427SS*.  trans-64.1157.3-179.9-63.2172.9-166.9151.96.7110.2D71 R123 E127 N148D71-R73 VanDerWaalsContact OD1-CB 3.25Å; D71-R73 WeakPolarHBondContact OD1-CB 3.5Å; D71-R73 WeakPolarHBondContact OD1-CD 3.34Å; D71-R73 WeakPolarHBondContact OD1-CG 3.33Å; D71-R73 PolarHBondContact OD1-N 2.96Å; D71-R73 IonicContact OD1-NE 2.65Å; R73-R123 HydrophobicContact CB-CG 4.46Å; R73-E127 IonicContact NH1-OE1 3.2Å; R73-N148 PolarHBondContact O-ND2 3.19Å; R73-N148 VanDerWaalsContact O-ND2 3.13Å
74T91.9Very high85.1Confident14 Ų1480.3 Ų80.39%0.08640%0.397CS..  trans-64.6145.9-17658.50000111.2R123 I146 D147 N148T74-R123 WeakPolarHBondContact O-CD 3.39Å; T74-R123 PolarHBondContact O-NH1 2.95Å; T74-R123 PolarHBondContact OG1-NH1 3.32Å; T74-R123 VanDerWaalsContact OG1-NH1 3.1Å; T74-I146 WeakPolarHBondContact CB-O 3.44Å; T74-I146 WeakPolarHBondContact CG2-O 3.3Å; T74-D147 HydrophobicContact CG2-CB 4.49Å; T74-D147 WeakPolarHBondContact CG2-OD1 3.43Å; T74-N148 WeakPolarHBondContact CA-OD1 3.45Å
75R94.1Very high86.2Confident82 Ų8281.5 Ų81.531%0.30941%0.405SS..  trans-114.71.4170.1-61.8-178.6-61.1156.813.8112.4E101 F120 V121 R123 N148R75-E101 IonicContact CZ-OE2 2.94Å; R75-E101 IonicContact NH1-OE2 2.7Å; R75-E101 IonicContact NH2-OE1 3.72Å; R75-E101 PolarHBondContact NH2-OE1 3.43Å; R75-E101 IonicContact NH2-OE2 2.75Å; R75-E101 PolarHBondContact NH2-OE2 2.85Å; R75-F120 WeakPolarHBondContact CB-O 3.33Å; R75-F120 PolarHBondContact O-N 2.92Å; R75-V121 PolarHBondContact NH1-O 2.79Å; R75-R123 HydrophobicContact CG-CB 4.22Å; R75-N148 PolarHBondContact N-OD1 3.4Å; R75-N148 VanDerWaalsContact N-OD1 3.17Å
76S94.4Very high87.1Confident6 Ų679.3 Ų79.34%0.04239%0.388CS..EExtended strand (participates in β ladder)trans-113.4141.5-173.4-53.20000110.7V118 S119 I146S76-V118 CarbonylContact C-O 3.6Å; S76-V118 VanDerWaalsContact CA-O 3.22Å; S76-V118 WeakPolarHBondContact CA-O 3.19Å; S76-S119 PolarHBondContact OG-OG 3.12Å; S76-I146 PolarHBondContact O-N 2.91Å
77M94.6Very high88.2Confident0 Ų069.8 Ų69.80%035%0.354CS..EExtended strand (participates in β ladder)trans-140.1153.7176.565-172.974.800110.2V118 F120 A126 A129 F130 L143 E144 W145M77-V118 HydrophobicContact CG-CB 4.49Å; M77-V118 PolarHBondContact N-O 3.38Å; M77-V118 PolarHBondContact O-N 3.26Å; M77-F120 HydrophobicContact CE-CD2 4Å; M77-F120 HydrophobicContact CE-CE2 3.73Å; M77-F120 HydrophobicContact SD-CE2 4.3Å; M77-A126 HydrophobicContact CE-CB 4.15Å; M77-A126 WeakPolarHBondContact CE-O 3.39Å; M77-A129 HydrophobicContact CE-CB 4.39Å; M77-F130 HydrophobicContact CE-CB 4.04Å; M77-F130 HydrophobicContact CE-CD2 4.35Å; M77-F130 HydrophobicContact SD-CD2 4.18Å; M77-L143 HydrophobicContact CG-CD2 4.12Å; M77-L143 HydrophobicContact SD-CD2 3.43Å; M77-L143 WeakPolarHBondContact SD-CD2 3.29Å; M77-E144 CarbonylContact C-O 3.58Å; M77-E144 WeakPolarHBondContact CA-O 3.3Å; M77-E144 WeakPolarHBondContact CB-O 3.32Å; M77-W145 HydrophobicContact CB-CE3 4.36Å; M77-W145 HydrophobicContact CE-CH2 3.87Å; M77-W145 HydrophobicContact CE-CZ3 3.84Å
78I94.5Very high89.1Confident1 Ų171.4 Ų71.41%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-104.2136.9170.4-176.9165.9000109.9Y80 K115 V116 L143 E144 I146 L158I78-Y80 HydrophobicContact CD1-CD1 4.15Å; I78-Y80 HydrophobicContact CD1-CE1 3.49Å; I78-Y80 VanDerWaalsContact CD1-CE1 3.49Å; I78-Y80 HydrophobicContact CG1-CD1 4.27Å; I78-Y80 HydrophobicContact CG1-CE1 3.95Å; I78-Y80 HydrophobicContact CG1-CE2 4.36Å; I78-Y80 HydrophobicContact CG2-CD2 4.36Å; I78-Y80 HydrophobicContact CG2-CE1 4.3Å; I78-Y80 HydrophobicContact CG2-CE2 3.53Å; I78-Y80 VanDerWaalsContact CG2-CZ 3.49Å; I78-Y80 WeakPolarHBondContact CG2-OH 3.41Å; I78-K115 HydrophobicContact CD1-CB 4.37Å; I78-K115 HydrophobicContact CD1-CD 4.47Å; I78-V116 CarbonylContact C-O 3.55Å; I78-V116 VanDerWaalsContact CA-O 3.28Å; I78-V116 WeakPolarHBondContact CA-O 3.43Å; I78-L143 WeakPolarHBondContact O-CA 3.44Å; I78-E144 HydrophobicContact CG2-CB 3.72Å; I78-E144 HydrophobicContact CG2-CG 4.44Å; I78-E144 PolarHBondContact N-O 3.37Å; I78-E144 PolarHBondContact O-N 3.37Å; I78-I146 HydrophobicContact CB-CD1 3.89Å; I78-I146 HydrophobicContact CB-CG1 4.46Å; I78-I146 HydrophobicContact CG2-CD1 4.19Å; I78-I146 HydrophobicContact CG2-CG1 4.23Å; I78-L158 HydrophobicContact CD1-CD1 3.55Å; I78-L158 HydrophobicContact CD1-CD2 3.6Å; I78-L158 HydrophobicContact CD1-CG 4.15Å
79V94.4Very high90.1Very high0 Ų071.4 Ų71.40%036%0.355CS..EExtended strand (participates in β ladder)trans-103.7123.5170.5-170.20000108L90 K115 V116 L141 L143V79-L90 HydrophobicContact CB-CD2 4.38Å; V79-L90 HydrophobicContact CG1-CD2 4.21Å; V79-L90 HydrophobicContact CG2-CD2 4.26Å; V79-K115 WeakPolarHBondContact O-CA 3.13Å; V79-V116 HydrophobicContact CB-CB 4.2Å; V79-V116 PolarHBondContact N-O 3.26Å; V79-V116 PolarHBondContact O-N 2.79Å; V79-L141 HydrophobicContact CG1-CB 4.26Å; V79-L141 HydrophobicContact CG1-CD1 3.99Å; V79-L141 HydrophobicContact CG1-CD2 4.43Å; V79-L141 HydrophobicContact CG1-CG 4.46Å; V79-L143 HydrophobicContact CG2-CD2 3.73Å; V79-L143 HydrophobicContact CG2-CG 4.41Å
80Y92.8Very high91.1Very high42 Ų4264.2 Ų64.217%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-99.7155.8175.9-59-79.1000111.4I78 L82 K115 N142 E144I78-Y80 HydrophobicContact CD1-CD1 4.15Å; I78-Y80 HydrophobicContact CD1-CE1 3.49Å; I78-Y80 VanDerWaalsContact CD1-CE1 3.49Å; I78-Y80 HydrophobicContact CG1-CD1 4.27Å; I78-Y80 HydrophobicContact CG1-CE1 3.95Å; I78-Y80 HydrophobicContact CG1-CE2 4.36Å; I78-Y80 HydrophobicContact CG2-CD2 4.36Å; I78-Y80 HydrophobicContact CG2-CE1 4.3Å; I78-Y80 HydrophobicContact CG2-CE2 3.53Å; I78-Y80 VanDerWaalsContact CG2-CZ 3.49Å; I78-Y80 WeakPolarHBondContact CG2-OH 3.41Å; Y80-L82 PolarHBondContact O-N 3.42Å; Y80-K115 HydrophobicContact CD1-CD 4.04Å; Y80-K115 HydrophobicContact CD1-CG 4.1Å; Y80-K115 HydrophobicContact CE1-CD 4.23Å; Y80-N142 HydrophobicContact CD2-CB 4.43Å; Y80-N142 PolarHBondContact N-O 3.26Å; Y80-E144 HydrophobicContact CE2-CB 3.79Å; Y80-E144 VanDerWaalsContact CE2-OE2 3.31Å; Y80-E144 WeakPolarHBondContact CE2-OE2 3.22Å; Y80-E144 PolarHBondContact OH-OE2 3.41Å
81N89.5Confident91.9Very high117 Ų11759.7 Ų59.763%0.62629%0.294SS*.EExtended strand (participates in β ladder)trans62.733.8171.4-53.2-28.6000114.5
82L91.9Very high92.7Very high0 Ų060.1 Ų60.10%030%0.296CS..EExtended strand (participates in β ladder)trans-81.3134.7175.2-175.671.2000110.3Y80 E86 K87 L90 F105 V113 C114 V116 F136Y80-L82 PolarHBondContact O-N 3.42Å; L82-E86 HydrophobicContact CD1-CB 4.04Å; L82-K87 HydrophobicContact CD2-CG 4.2Å; L82-L90 HydrophobicContact CD1-CB 4.07Å; L82-L90 HydrophobicContact CD1-CD2 3.96Å; L82-L90 HydrophobicContact CD1-CG 4.39Å; L82-L90 HydrophobicContact CD2-CB 4.1Å; L82-L90 HydrophobicContact CD2-CD2 3.43Å; L82-L90 VanDerWaalsContact CD2-CD2 3.43Å; L82-L90 HydrophobicContact CD2-CG 4.36Å; L82-L90 HydrophobicContact CG-CD2 4.24Å; L82-F105 HydrophobicContact CD2-CE1 4.27Å; L82-V113 CarbonylContact O-C 3.57Å; L82-V113 VanDerWaalsContact O-CA 3.32Å; L82-V113 WeakPolarHBondContact O-CA 3.45Å; L82-C114 PolarHBondContact N-O 3.5Å; L82-C114 VanDerWaalsContact N-O 3.13Å; L82-C114 PolarHBondContact O-N 2.78Å; L82-C114 PolarHBondContact O-SG 3.15Å; L82-V116 HydrophobicContact CB-CG2 4.34Å; L82-V116 HydrophobicContact CD2-CG2 3.44Å; L82-V116 VanDerWaalsContact CD2-CG2 3.44Å; L82-F136 HydrophobicContact CD1-CE1 4.19Å
83Q92.7Very high93.1Very high81 Ų8153.8 Ų53.838%0.37927%0.269SS..EExtended strand (participates in β ladder)trans-70.9139.3172.2-65.4-172-28.200111D85 E86 S112Q83-D85 PolarHBondContact O-N 2.91Å; Q83-D85 VanDerWaalsContact O-N 3.1Å; Q83-E86 HydrophobicContact CB-CB 4.44Å; Q83-E86 HydrophobicContact CB-CG 4.11Å; Q83-E86 PolarHBondContact O-N 3.24Å; Q83-S112 CarbonylContact C-O 3.56Å; Q83-S112 VanDerWaalsContact CA-O 3.28Å; Q83-S112 WeakPolarHBondContact CA-O 3.15Å
84T90.3Very high93.5Very high46 Ų4646.8 Ų46.828%0.28224%0.243SC..G310 helixtrans-57.5-28.9-178.3-64.80000112.8K87 P111 S112T84-K87 WeakPolarHBondContact O-CD 3.32Å; T84-K87 VanDerWaalsContact O-CG 3.24Å; T84-K87 WeakPolarHBondContact O-CG 3.49Å; T84-P111 PolarHBondContact OG1-O 3.33Å; T84-S112 PolarHBondContact N-O 3.39Å
85D92.6Very high93.6Very high155 Ų15551.7 Ų51.783%0.82927%0.265SS*.G310 helixtrans-77.8-20179.2-56.7-28.5000113.1Q83Q83-D85 PolarHBondContact O-N 2.91Å; Q83-D85 VanDerWaalsContact O-N 3.1Å
86E93.1Very high93.7Very high33 Ų3354 Ų5415%0.15428%0.282CS..G310 helixtrans-94.55.1-175.7-64.3-174.5129.600113.2L82 Q83 N88 A89 L90 F136 N137L82-E86 HydrophobicContact CD1-CB 4.04Å; Q83-E86 HydrophobicContact CB-CB 4.44Å; Q83-E86 HydrophobicContact CB-CG 4.11Å; Q83-E86 PolarHBondContact O-N 3.24Å; E86-N88 PolarHBondContact O-N 3.41Å; E86-A89 PolarHBondContact O-N 2.92Å; E86-L90 PolarHBondContact O-N 3.13Å; E86-F136 HydrophobicContact CB-CE1 4Å; E86-F136 HydrophobicContact CB-CZ 4.24Å; E86-F136 HydrophobicContact CG-CE1 4.41Å; E86-N137 PolarHBondContact OE1-ND2 3Å
87K92.8Very high93.7Very high59 Ų5955.3 Ų55.326%0.25729%0.287SS..Hα-helixtrans-54.2-50.4-176.1-71.4176.5178.8178.40113.3L82 T84 L90 V91 F105 C114L82-K87 HydrophobicContact CD2-CG 4.2Å; T84-K87 WeakPolarHBondContact O-CD 3.32Å; T84-K87 VanDerWaalsContact O-CG 3.24Å; T84-K87 WeakPolarHBondContact O-CG 3.49Å; K87-L90 PolarHBondContact O-N 2.92Å; K87-V91 WeakPolarHBondContact O-CG2 3.38Å; K87-V91 PolarHBondContact O-N 3.42Å; K87-V91 VanDerWaalsContact O-N 3.16Å; K87-F105 HydrophobicContact CB-CD1 4.15Å; K87-F105 HydrophobicContact CB-CE1 3.61Å; K87-F105 HydrophobicContact CB-CZ 4.02Å; K87-F105 HydrophobicContact CD-CD1 3.78Å; K87-F105 HydrophobicContact CD-CE1 4.12Å; K87-F105 HydrophobicContact CD-CG 4.22Å; K87-F105 HydrophobicContact CG-CD1 3.63Å; K87-F105 HydrophobicContact CG-CE1 3.57Å; K87-F105 HydrophobicContact CG-CZ 4.41Å; K87-C114 WeakPolarHBondContact CE-SG 3.28Å
88N94.1Very high93.7Very high127 Ų12755.9 Ų55.968%0.67929%0.293SS*.Hα-helixtrans-67.7-41.8-178.4-63.3-21.1000111.3E86 L90 V91 D92E86-N88 PolarHBondContact O-N 3.41Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 2.93Å; N88-V91 PolarHBondContact O-N 3.06Å; N88-V91 VanDerWaalsContact O-N 3.17Å; N88-D92 PolarHBondContact O-N 2.98Å
89A94.6Very high93.8Very high41 Ų4159.2 Ų59.234%0.33932%0.315SS..Hα-helixtrans-62.9-36.4177.300000112.2E86 H93 F136E86-A89 PolarHBondContact O-N 2.92Å; A89-H93 VanDerWaalsContact O-CB 3.27Å; A89-H93 WeakPolarHBondContact O-CB 3.22Å; A89-H93 PolarHBondContact O-N 3.22Å; A89-F136 HydrophobicContact CB-CE2 4.23Å; A89-F136 HydrophobicContact CB-CZ 3.84Å
90L93.8Very high93.8Very high1 Ų161.1 Ų61.11%0.00532%0.324CS..Hα-helixtrans-64.4-44.2173.8-179.269.5000111.5V79 L82 E86 K87 N88 H93 L94 V116 F136 L141V79-L90 HydrophobicContact CB-CD2 4.38Å; V79-L90 HydrophobicContact CG1-CD2 4.21Å; V79-L90 HydrophobicContact CG2-CD2 4.26Å; L82-L90 HydrophobicContact CD1-CB 4.07Å; L82-L90 HydrophobicContact CD1-CD2 3.96Å; L82-L90 HydrophobicContact CD1-CG 4.39Å; L82-L90 HydrophobicContact CD2-CB 4.1Å; L82-L90 HydrophobicContact CD2-CD2 3.43Å; L82-L90 VanDerWaalsContact CD2-CD2 3.43Å; L82-L90 HydrophobicContact CD2-CG 4.36Å; L82-L90 HydrophobicContact CG-CD2 4.24Å; E86-L90 PolarHBondContact O-N 3.13Å; K87-L90 PolarHBondContact O-N 2.92Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 2.93Å; L90-H93 WeakPolarHBondContact O-CB 3.28Å; L90-H93 PolarHBondContact O-N 3.13Å; L90-L94 HydrophobicContact CD1-CD1 4.13Å; L90-L94 HydrophobicContact CD1-CG 4.21Å; L90-L94 HydrophobicContact CD2-CD1 4.31Å; L90-L94 HydrophobicContact CG-CD1 3.89Å; L90-L94 HydrophobicContact CG-CG 4.32Å; L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.09Å; L90-V116 HydrophobicContact CD2-CB 4.3Å; L90-V116 HydrophobicContact CD2-CG1 4.48Å; L90-V116 HydrophobicContact CD2-CG2 4.03Å; L90-F136 HydrophobicContact CB-CE2 4.4Å; L90-F136 HydrophobicContact CB-CZ 4.22Å; L90-F136 HydrophobicContact CD1-CD2 4.35Å; L90-F136 HydrophobicContact CD1-CE2 4.46Å; L90-F136 HydrophobicContact CD1-CG 4.49Å; L90-L141 HydrophobicContact CD1-CD1 3.58Å
91V95.2Very high93.9Very high34 Ų3464.1 Ų64.121%0.20634%0.34CS..Hα-helixtrans-60.9-48.6179173.70000110.6K87 N88 H93 L94 Q95 L100 V103 F105K87-V91 WeakPolarHBondContact O-CG2 3.38Å; K87-V91 PolarHBondContact O-N 3.42Å; K87-V91 VanDerWaalsContact O-N 3.16Å; N88-V91 PolarHBondContact O-N 3.06Å; N88-V91 VanDerWaalsContact O-N 3.17Å; V91-H93 VanDerWaalsContact C-N 3.3Å; V91-H93 PolarHBondContact O-N 2.88Å; V91-L94 PolarHBondContact O-N 2.77Å; V91-Q95 WeakPolarHBondContact O-CB 3.41Å; V91-Q95 PolarHBondContact O-N 2.94Å; V91-L100 HydrophobicContact CG1-CD1 4.13Å; V91-V103 HydrophobicContact CG2-CG1 4.13Å; V91-F105 HydrophobicContact CG2-CE2 4.4Å; V91-F105 HydrophobicContact CG2-CZ 3.7Å
92D95.2Very high94.1Very high102 Ų10261.4 Ų61.455%0.54533%0.326SS..Hα-helixtrans-58.3-44.2176.9-68.5-20.2000111.1N88 L94 Q95 I96N88-D92 PolarHBondContact O-N 2.98Å; D92-L94 PolarHBondContact O-N 2.88Å; D92-Q95 PolarHBondContact O-N 3.22Å; D92-I96 WeakPolarHBondContact O-CG1 3.33Å; D92-I96 PolarHBondContact O-N 3.49Å
93H94.9Very high94.2Very high39 Ų3963.1 Ų63.118%0.18134%0.336CS..Hα-helixtrans-61.1-44.2177.3177.4-118.1000112.6A89 L90 V91 Q95 I96 F97 E135 F136A89-H93 VanDerWaalsContact O-CB 3.27Å; A89-H93 WeakPolarHBondContact O-CB 3.22Å; A89-H93 PolarHBondContact O-N 3.22Å; L90-H93 WeakPolarHBondContact O-CB 3.28Å; L90-H93 PolarHBondContact O-N 3.13Å; V91-H93 VanDerWaalsContact C-N 3.3Å; V91-H93 PolarHBondContact O-N 2.88Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.82Å; H93-I96 WeakPolarHBondContact O-CB 3.42Å; H93-I96 PolarHBondContact O-N 3.3Å; H93-F97 AromaticContact CE1-CE2 4Å; H93-F97 WeakPolarHBondContact O-CE2 3.15Å; H93-E135 PolarHBondContact CE1-O 2.84Å; H93-E135 PolarHBondContact NE2-O 3.06Å; H93-F136 HydrophobicContact CB-CD2 3.92Å; H93-F136 HydrophobicContact CB-CE2 3.92Å; H93-F136 AromaticContact CG-CD2 3.78Å; H93-F136 AromaticContact ND1-CD2 3.67Å
94L95.2Very high94.2Very high3 Ų361.8 Ų61.82%0.01633%0.331CS..Hα-helixtrans-69.9-32179.5-68.9174.3000112.1L90 V91 D92 I96 F97 L100 V118 F120 A129L90-L94 HydrophobicContact CD1-CD1 4.13Å; L90-L94 HydrophobicContact CD1-CG 4.21Å; L90-L94 HydrophobicContact CD2-CD1 4.31Å; L90-L94 HydrophobicContact CG-CD1 3.89Å; L90-L94 HydrophobicContact CG-CG 4.32Å; L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.09Å; V91-L94 PolarHBondContact O-N 2.77Å; D92-L94 PolarHBondContact O-N 2.88Å; L94-I96 PolarHBondContact O-N 2.87Å; L94-F97 PolarHBondContact O-N 2.8Å; L94-F97 VanDerWaalsContact O-N 3.17Å; L94-L100 HydrophobicContact CB-CD1 4.28Å; L94-L100 HydrophobicContact CB-CD2 4.19Å; L94-V118 HydrophobicContact CD1-CB 4.43Å; L94-V118 HydrophobicContact CD1-CG1 4.15Å; L94-V118 HydrophobicContact CD1-CG2 3.81Å; L94-F120 HydrophobicContact CB-CZ 4.2Å; L94-F120 HydrophobicContact CD2-CZ 4.3Å; L94-A129 HydrophobicContact CD2-CB 4.34Å
95Q95.7Very high94.4Very high116 Ų11662.9 Ų62.954%0.54233%0.332SS..Hα-helixtrans-67.4-22.3178.8-164.3169.98.700113.1V91 D92 H93 F97 G98V91-Q95 WeakPolarHBondContact O-CB 3.41Å; V91-Q95 PolarHBondContact O-N 2.94Å; D92-Q95 PolarHBondContact O-N 3.22Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.82Å; Q95-F97 PolarHBondContact O-N 2.97Å; Q95-G98 WeakPolarHBondContact CA-O 3.38Å; Q95-G98 PolarHBondContact O-N 3.32Å; Q95-G98 VanDerWaalsContact O-N 3.11Å
96I95.4Very high94.3Very high131 Ų13157 Ų5767%0.67230%0.299SS*.THydrogen-bonded Turntrans-59.5-35.1172.7-62.2167.9000111.3D92 H93 L94 G98D92-I96 WeakPolarHBondContact O-CG1 3.33Å; D92-I96 PolarHBondContact O-N 3.49Å; H93-I96 WeakPolarHBondContact O-CB 3.42Å; H93-I96 PolarHBondContact O-N 3.3Å; L94-I96 PolarHBondContact O-N 2.87Å; I96-G98 VanDerWaalsContact C-N 3.34Å
97F94.7Very high94.1Very high34 Ų3459.5 Ų59.515%0.14932%0.318CS..THydrogen-bonded Turntrans-80-18.5179.4-56.5-72.1000112.9H93 L94 Q95 F120 N125 M128 A129 K132H93-F97 AromaticContact CE1-CE2 4Å; H93-F97 WeakPolarHBondContact O-CE2 3.15Å; L94-F97 PolarHBondContact O-N 2.8Å; L94-F97 VanDerWaalsContact O-N 3.17Å; Q95-F97 PolarHBondContact O-N 2.97Å; F97-F120 HydrophobicContact CB-CE1 4.46Å; F97-N125 WeakPolarHBondContact O-CB 3.41Å; F97-N125 VanDerWaalsContact O-CG 3.23Å; F97-N125 PolarHBondContact O-OD1 3.03Å; F97-M128 HydrophobicContact CD1-CB 4.25Å; F97-A129 HydrophobicContact CB-CB 3.92Å; F97-A129 HydrophobicContact CD2-CB 3.79Å; F97-A129 HydrophobicContact CG-CB 3.91Å; F97-K132 HydrophobicContact CE1-CB 3.66Å; F97-K132 HydrophobicContact CE1-CD 4.4Å; F97-K132 HydrophobicContact CZ-CB 3.98Å
98G94.7Very high93.7Very high12 Ų1258.5 Ų58.512%0.12432%0.317CS..SBendtrans151.6178.3173.900000113.8Q95 I96 L100Q95-G98 WeakPolarHBondContact CA-O 3.38Å; Q95-G98 PolarHBondContact O-N 3.32Å; Q95-G98 VanDerWaalsContact O-N 3.11Å; I96-G98 VanDerWaalsContact C-N 3.34Å; G98-L100 PolarHBondContact O-N 3.01Å
99P95.7Very high93.3Very high71 Ų7160 Ų6046%0.46132%0.318SS..  trans-65.9134.2-179.326.4-34.9000112V121P99-V121 HydrophobicContact CB-CG2 4.18Å; P99-V121 HydrophobicContact CG-CB 4.26Å; P99-V121 HydrophobicContact CG-CG2 4.23Å; P99-V121 PolarHBondContact O-N 2.95Å
100L95.2Very high92.9Very high39 Ų3962.9 Ų62.920%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-83.4137.9172.8-52.7-179.8000109V91 L94 G98 V103 V118 S119 F120V91-L100 HydrophobicContact CG1-CD1 4.13Å; L94-L100 HydrophobicContact CB-CD1 4.28Å; L94-L100 HydrophobicContact CB-CD2 4.19Å; G98-L100 PolarHBondContact O-N 3.01Å; L100-V103 HydrophobicContact CB-CG2 4.06Å; L100-V103 HydrophobicContact CD1-CG2 3.53Å; L100-V103 HydrophobicContact CG-CG2 4.37Å; L100-V118 HydrophobicContact CD1-CG1 4.45Å; L100-V118 HydrophobicContact CD2-CG1 3.76Å; L100-S119 CarbonylContact C-O 3.53Å; L100-F120 HydrophobicContact CD2-CD1 3.63Å; L100-F120 HydrophobicContact CD2-CD2 4.35Å; L100-F120 HydrophobicContact CD2-CE1 3.28Å; L100-F120 HydrophobicContact CD2-CE2 4.05Å; L100-F120 HydrophobicContact CD2-CG 4.16Å; L100-F120 HydrophobicContact CD2-CZ 3.5Å
101E94.3Very high92.6Very high106 Ų10668.2 Ų68.250%0.49536%0.362SS..EExtended strand (participates in β ladder)trans-84.5-40.1172.6-178.1171.1-161.600110.2R75 S119 V121R75-E101 IonicContact CZ-OE2 2.94Å; R75-E101 IonicContact NH1-OE2 2.7Å; R75-E101 IonicContact NH2-OE1 3.72Å; R75-E101 PolarHBondContact NH2-OE1 3.43Å; R75-E101 IonicContact NH2-OE2 2.75Å; R75-E101 PolarHBondContact NH2-OE2 2.85Å; E101-S119 PolarHBondContact N-O 3.37Å; E101-V121 HydrophobicContact CB-CG2 4.01Å
102D93.6Very high92.3Very high60 Ų6070.5 Ų70.532%0.32138%0.379SS..EExtended strand (participates in β ladder)trans-158.6148.1-175.3-162.913.2000111.4S119 K151D102-S119 PolarHBondContact N-O 2.91Å; D102-S119 PolarHBondContact O-N 3.35Å; D102-K151 IonicContact OD2-NZ 3.27Å; D102-K151 PolarHBondContact OD2-NZ 3.15Å
103V94.6Very high92.1Very high36 Ų3667.3 Ų67.322%0.21836%0.364CS..EExtended strand (participates in β ladder)trans-147.1110.7-179.6-175.60000109.9V91 L100 F105 V116 L117 V118V91-V103 HydrophobicContact CG2-CG1 4.13Å; L100-V103 HydrophobicContact CB-CG2 4.06Å; L100-V103 HydrophobicContact CD1-CG2 3.53Å; L100-V103 HydrophobicContact CG-CG2 4.37Å; V103-F105 HydrophobicContact CG1-CD2 4.27Å; V103-F105 HydrophobicContact CG1-CE2 3.53Å; V103-F105 HydrophobicContact CG1-CZ 3.7Å; V103-V116 HydrophobicContact CG1-CG1 3.83Å; V103-L117 WeakPolarHBondContact CA-O 3.31Å; V103-V118 HydrophobicContact CG1-CG2 4.32Å; V103-V118 HydrophobicContact CG2-CG1 4.38Å
104D93.6Very high92Very high52 Ų5265.5 Ų65.528%0.27836%0.355SS..EExtended strand (participates in β ladder)trans-114.8134.8177.6-60.7-55000111.2Y106 V116 L117D104-Y106 HydrophobicContact CB-CD2 4.47Å; D104-Y106 HydrophobicContact CB-CE2 3.55Å; D104-Y106 WeakPolarHBondContact CB-OH 3.42Å; D104-V116 CarbonylContact O-C 3.51Å; D104-V116 WeakPolarHBondContact O-CA 3.42Å; D104-V116 WeakPolarHBondContact O-CG1 3.48Å; D104-L117 HydrophobicContact CB-CB 4.24Å; D104-L117 PolarHBondContact N-O 3.42Å; D104-L117 PolarHBondContact O-N 3.29Å
105F93Very high91.9Very high70 Ų7068.4 Ų68.431%0.30737%0.368SS..EExtended strand (participates in β ladder)trans-109126.5177.7-62.5-92.1000110.3L82 K87 V91 V103 V116L82-F105 HydrophobicContact CD2-CE1 4.27Å; K87-F105 HydrophobicContact CB-CD1 4.15Å; K87-F105 HydrophobicContact CB-CE1 3.61Å; K87-F105 HydrophobicContact CB-CZ 4.02Å; K87-F105 HydrophobicContact CD-CD1 3.78Å; K87-F105 HydrophobicContact CD-CE1 4.12Å; K87-F105 HydrophobicContact CD-CG 4.22Å; K87-F105 HydrophobicContact CG-CD1 3.63Å; K87-F105 HydrophobicContact CG-CE1 3.57Å; K87-F105 HydrophobicContact CG-CZ 4.41Å; V91-F105 HydrophobicContact CG2-CE2 4.4Å; V91-F105 HydrophobicContact CG2-CZ 3.7Å; V103-F105 HydrophobicContact CG1-CD2 4.27Å; V103-F105 HydrophobicContact CG1-CE2 3.53Å; V103-F105 HydrophobicContact CG1-CZ 3.7Å; F105-V116 HydrophobicContact CD1-CB 4.25Å; F105-V116 HydrophobicContact CD1-CG1 3.89Å; F105-V116 HydrophobicContact CD1-CG2 3.42Å; F105-V116 VanDerWaalsContact CD1-CG2 3.42Å; F105-V116 HydrophobicContact CE1-CB 4.34Å; F105-V116 HydrophobicContact CE1-CG1 3.73Å; F105-V116 HydrophobicContact CE1-CG2 3.6Å; F105-V116 HydrophobicContact CG-CG1 4.44Å; F105-V116 HydrophobicContact CG-CG2 4.46Å; F105-V116 HydrophobicContact CZ-CG1 4.19Å
106Y91.5Very high91.8Very high30 Ų3063 Ų6312%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-114.8129.3179.1-59-82.8000110.2D104 C114 K115 L117 A155 L158D104-Y106 HydrophobicContact CB-CD2 4.47Å; D104-Y106 HydrophobicContact CB-CE2 3.55Å; D104-Y106 WeakPolarHBondContact CB-OH 3.42Å; Y106-C114 CarbonylContact O-C 3.51Å; Y106-C114 VanDerWaalsContact O-CA 3.29Å; Y106-C114 WeakPolarHBondContact O-CA 3.03Å; Y106-C114 VanDerWaalsContact O-CB 3.28Å; Y106-C114 WeakPolarHBondContact O-CB 3.12Å; Y106-K115 PolarHBondContact N-O 2.69Å; Y106-K115 PolarHBondContact O-N 3.15Å; Y106-L117 HydrophobicContact CE2-CB 3.79Å; Y106-L117 HydrophobicContact CE2-CD2 4.36Å; Y106-A155 WeakPolarHBondContact CE1-O 3.37Å; Y106-A155 WeakPolarHBondContact OH-CA 3.33Å; Y106-A155 WeakPolarHBondContact OH-CB 3.41Å; Y106-L158 HydrophobicContact CD1-CB 3.74Å; Y106-L158 HydrophobicContact CD2-CB 3.68Å; Y106-L158 HydrophobicContact CD2-CD1 3.57Å; Y106-L158 HydrophobicContact CD2-CG 4.27Å; Y106-L158 HydrophobicContact CE1-CB 4.21Å; Y106-L158 HydrophobicContact CE2-CB 4.14Å; Y106-L158 HydrophobicContact CE2-CD1 3.75Å; Y106-L158 HydrophobicContact CG-CB 3.45Å; Y106-L158 VanDerWaalsContact CG-CB 3.45Å; Y106-L158 HydrophobicContact CG-CD1 4.23Å; Y106-L158 HydrophobicContact CG-CG 4.46Å
107P87.7Confident91.7Very high87 Ų8756.8 Ų56.857%0.56531%0.31SS*.EExtended strand (participates in β ladder)trans-63.1156.817329.2-33.4000110.4
108T86.2Confident91.7Very high37 Ų3755.1 Ų55.123%0.22730%0.303CS..  trans-116.7174.5167.7-630000108.3D110 V113T108-D110 CarbonylContact O-C 3.48Å; T108-D110 PolarHBondContact O-N 3.48Å; T108-D110 VanDerWaalsContact O-N 3.1Å; T108-V113 PolarHBondContact N-O 3.37Å
109K84.3Confident91.7Very high160 Ų16054.7 Ų54.770%0.69630%0.298SS*.SBendtrans-48.1-36.4174.6-64-178.8-178.4176.20113.3
110D86.9Confident91.7Very high100 Ų10051.3 Ų51.354%0.53528%0.276SS..SBendtrans-90.2120.8175-58.6-39.6000109.3T108 S112 V113T108-D110 CarbonylContact O-C 3.48Å; T108-D110 PolarHBondContact O-N 3.48Å; T108-D110 VanDerWaalsContact O-N 3.1Å; D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 VanDerWaalsContact O-N 3.12Å; D110-V113 HydrophobicContact CB-CB 4.43Å; D110-V113 HydrophobicContact CB-CG2 4.43Å; D110-V113 PolarHBondContact O-N 3.16Å
111P87.1Confident91.6Very high113 Ų11353 Ų5373%0.73429%0.288SS*.THydrogen-bonded Turntrans-64.8-20.8-176.126-34.9000113.2T84 V113T84-P111 PolarHBondContact OG1-O 3.33Å; P111-V113 VanDerWaalsContact C-N 3.3Å
112S89.9Confident91.5Very high83 Ų8350.1 Ų50.158%0.5828%0.279SS*.THydrogen-bonded Turntrans-78.7-11.7177.2-48.70000113.4Q83 T84 D110Q83-S112 CarbonylContact C-O 3.56Å; Q83-S112 VanDerWaalsContact CA-O 3.28Å; Q83-S112 WeakPolarHBondContact CA-O 3.15Å; T84-S112 PolarHBondContact N-O 3.39Å; D110-S112 PolarHBondContact O-N 3.36Å; D110-S112 VanDerWaalsContact O-N 3.12Å
113V91Very high91.5Very high35 Ų3549.1 Ų49.121%0.21227%0.271CS..EExtended strand (participates in β ladder)trans-123.6139.3-175.1-177.60000110.5L82 T108 D110 P111L82-V113 CarbonylContact O-C 3.57Å; L82-V113 VanDerWaalsContact O-CA 3.32Å; L82-V113 WeakPolarHBondContact O-CA 3.45Å; T108-V113 PolarHBondContact N-O 3.37Å; D110-V113 HydrophobicContact CB-CB 4.43Å; D110-V113 HydrophobicContact CB-CG2 4.43Å; D110-V113 PolarHBondContact O-N 3.16Å; P111-V113 VanDerWaalsContact C-N 3.3Å
114C91.7Very high91.4Very high0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-133.6159.317663.60000111.2L82 K87 Y106L82-C114 PolarHBondContact N-O 3.5Å; L82-C114 VanDerWaalsContact N-O 3.13Å; L82-C114 PolarHBondContact O-N 2.78Å; L82-C114 PolarHBondContact O-SG 3.15Å; K87-C114 WeakPolarHBondContact CE-SG 3.28Å; Y106-C114 CarbonylContact O-C 3.51Å; Y106-C114 VanDerWaalsContact O-CA 3.29Å; Y106-C114 WeakPolarHBondContact O-CA 3.03Å; Y106-C114 VanDerWaalsContact O-CB 3.28Å; Y106-C114 WeakPolarHBondContact O-CB 3.12Å
115K92.6Very high91.5Very high65 Ų6555.1 Ų55.128%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-106144.2170.1-63.8174.4-175.4174.50108.2I78 V79 Y80 Y106 L158I78-K115 HydrophobicContact CD1-CB 4.37Å; I78-K115 HydrophobicContact CD1-CD 4.47Å; V79-K115 WeakPolarHBondContact O-CA 3.13Å; Y80-K115 HydrophobicContact CD1-CD 4.04Å; Y80-K115 HydrophobicContact CD1-CG 4.1Å; Y80-K115 HydrophobicContact CE1-CD 4.23Å; Y106-K115 PolarHBondContact N-O 2.69Å; Y106-K115 PolarHBondContact O-N 3.15Å; K115-L158 HydrophobicContact CB-CD2 4.3Å; K115-L158 HydrophobicContact CD-CD2 3.44Å; K115-L158 VanDerWaalsContact CD-CD2 3.44Å
116V93.5Very high91.6Very high1 Ų151.8 Ų51.81%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-125.4125.2-177.4-167.40000109.9I78 V79 L82 L90 V103 D104 F105 V118I78-V116 CarbonylContact C-O 3.55Å; I78-V116 VanDerWaalsContact CA-O 3.28Å; I78-V116 WeakPolarHBondContact CA-O 3.43Å; V79-V116 HydrophobicContact CB-CB 4.2Å; V79-V116 PolarHBondContact N-O 3.26Å; V79-V116 PolarHBondContact O-N 2.79Å; L82-V116 HydrophobicContact CB-CG2 4.34Å; L82-V116 HydrophobicContact CD2-CG2 3.44Å; L82-V116 VanDerWaalsContact CD2-CG2 3.44Å; L90-V116 HydrophobicContact CD2-CB 4.3Å; L90-V116 HydrophobicContact CD2-CG1 4.48Å; L90-V116 HydrophobicContact CD2-CG2 4.03Å; V103-V116 HydrophobicContact CG1-CG1 3.83Å; D104-V116 CarbonylContact O-C 3.51Å; D104-V116 WeakPolarHBondContact O-CA 3.42Å; D104-V116 WeakPolarHBondContact O-CG1 3.48Å; F105-V116 HydrophobicContact CD1-CB 4.25Å; F105-V116 HydrophobicContact CD1-CG1 3.89Å; F105-V116 HydrophobicContact CD1-CG2 3.42Å; F105-V116 VanDerWaalsContact CD1-CG2 3.42Å; F105-V116 HydrophobicContact CE1-CB 4.34Å; F105-V116 HydrophobicContact CE1-CG1 3.73Å; F105-V116 HydrophobicContact CE1-CG2 3.6Å; F105-V116 HydrophobicContact CG-CG1 4.44Å; F105-V116 HydrophobicContact CG-CG2 4.46Å; F105-V116 HydrophobicContact CZ-CG1 4.19Å; V116-V118 HydrophobicContact CB-CG2 4.45Å; V116-V118 HydrophobicContact CG1-CG2 3.64Å
117L94.6Very high91.7Very high1 Ų153.6 Ų53.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-95.7119171.3179.365.7000108.2V103 D104 Y106 I146 K151 A155V103-L117 WeakPolarHBondContact CA-O 3.31Å; D104-L117 HydrophobicContact CB-CB 4.24Å; D104-L117 PolarHBondContact N-O 3.42Å; D104-L117 PolarHBondContact O-N 3.29Å; Y106-L117 HydrophobicContact CE2-CB 3.79Å; Y106-L117 HydrophobicContact CE2-CD2 4.36Å; L117-I146 HydrophobicContact CD1-CD1 2.98Å; L117-I146 HydrophobicContact CD1-CG1 4.47Å; L117-I146 HydrophobicContact CG-CD1 4.5Å; L117-K151 HydrophobicContact CD2-CG 4.04Å; L117-A155 HydrophobicContact CD2-CB 4.08Å
118V94.7Very high92.1Very high0 Ų052.8 Ų52.80%027%0.273CS..EExtended strand (participates in β ladder)trans-123132.3-177.3-177.90000110S76 M77 L94 L100 V103 V116 F120S76-V118 CarbonylContact C-O 3.6Å; S76-V118 VanDerWaalsContact CA-O 3.22Å; S76-V118 WeakPolarHBondContact CA-O 3.19Å; M77-V118 HydrophobicContact CG-CB 4.49Å; M77-V118 PolarHBondContact N-O 3.38Å; M77-V118 PolarHBondContact O-N 3.26Å; L94-V118 HydrophobicContact CD1-CB 4.43Å; L94-V118 HydrophobicContact CD1-CG1 4.15Å; L94-V118 HydrophobicContact CD1-CG2 3.81Å; L100-V118 HydrophobicContact CD1-CG1 4.45Å; L100-V118 HydrophobicContact CD2-CG1 3.76Å; V103-V118 HydrophobicContact CG1-CG2 4.32Å; V103-V118 HydrophobicContact CG2-CG1 4.38Å; V116-V118 HydrophobicContact CB-CG2 4.45Å; V116-V118 HydrophobicContact CG1-CG2 3.64Å; V118-F120 HydrophobicContact CG1-CD2 4.31Å; V118-F120 HydrophobicContact CG1-CE2 3.95Å
119S94.8Very high92.5Very high2 Ų251 Ų511%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-116.7135.6172-63.20000110.5S76 L100 E101 D102 K151S76-S119 PolarHBondContact OG-OG 3.12Å; L100-S119 CarbonylContact C-O 3.53Å; E101-S119 PolarHBondContact N-O 3.37Å; D102-S119 PolarHBondContact N-O 2.91Å; D102-S119 PolarHBondContact O-N 3.35Å; S119-K151 WeakPolarHBondContact OG-CE 3.25Å; S119-K151 PolarHBondContact OG-NZ 3.01Å
120F95.1Very high93Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-102.8146.4174.7-75.9-94.4000111.9R75 M77 L94 F97 L100 V118 S122 N125 A126 A129R75-F120 WeakPolarHBondContact CB-O 3.33Å; R75-F120 PolarHBondContact O-N 2.92Å; M77-F120 HydrophobicContact CE-CD2 4Å; M77-F120 HydrophobicContact CE-CE2 3.73Å; M77-F120 HydrophobicContact SD-CE2 4.3Å; L94-F120 HydrophobicContact CB-CZ 4.2Å; L94-F120 HydrophobicContact CD2-CZ 4.3Å; F97-F120 HydrophobicContact CB-CE1 4.46Å; L100-F120 HydrophobicContact CD2-CD1 3.63Å; L100-F120 HydrophobicContact CD2-CD2 4.35Å; L100-F120 HydrophobicContact CD2-CE1 3.28Å; L100-F120 HydrophobicContact CD2-CE2 4.05Å; L100-F120 HydrophobicContact CD2-CG 4.16Å; L100-F120 HydrophobicContact CD2-CZ 3.5Å; V118-F120 HydrophobicContact CG1-CD2 4.31Å; V118-F120 HydrophobicContact CG1-CE2 3.95Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.3Å; F120-N125 HydrophobicContact CD1-CB 3.96Å; F120-A126 HydrophobicContact CB-CB 3.9Å; F120-A126 HydrophobicContact CD2-CB 3.87Å; F120-A126 HydrophobicContact CG-CB 4.05Å; F120-A129 HydrophobicContact CE1-CB 4.03Å; F120-A129 HydrophobicContact CE2-CB 3.69Å; F120-A129 HydrophobicContact CZ-CB 3.3Å
121V93.3Very high93.3Very high74 Ų7444 Ų4445%0.44824%0.241SC..SBendtrans-62.8-39.6175.2-179.90000111.4R75 P99 E101R75-V121 PolarHBondContact NH1-O 2.79Å; P99-V121 HydrophobicContact CB-CG2 4.18Å; P99-V121 HydrophobicContact CG-CB 4.26Å; P99-V121 HydrophobicContact CG-CG2 4.23Å; P99-V121 PolarHBondContact O-N 2.95Å; E101-V121 HydrophobicContact CB-CG2 4.01Å
122S92.8Very high93.6Very high46 Ų4645.7 Ų45.732%0.32224%0.236SC..SBendtrans-114.6132.8-177.4176.20000111.6F120 R124 N125 A126F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.3Å; S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.1Å; S122-R124 PolarHBondContact OG-N 3.45Å; S122-N125 WeakPolarHBondContact O-CB 3.41Å; S122-N125 PolarHBondContact O-N 3.33Å; S122-N125 VanDerWaalsContact O-N 3.09Å; S122-A126 PolarHBondContact O-N 3.18Å
123R92.3Very high93.6Very high40 Ų4041.7 Ų41.715%0.15121%0.209CC..Hα-helixtrans-57.6-40.1175.1175.863.9-172.9178.64.2111.9D71 R73 T74 R75 N125 A126 E127 W145D71-R123 WeakPolarHBondContact OD2-CG 3.45Å; R73-R123 HydrophobicContact CB-CG 4.46Å; T74-R123 WeakPolarHBondContact O-CD 3.39Å; T74-R123 PolarHBondContact O-NH1 2.95Å; T74-R123 PolarHBondContact OG1-NH1 3.32Å; T74-R123 VanDerWaalsContact OG1-NH1 3.1Å; R75-R123 HydrophobicContact CG-CB 4.22Å; R123-N125 PolarHBondContact O-N 3.2Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 2.94Å; R123-E127 HydrophobicContact CG-CG 4.38Å; R123-E127 IonicContact CZ-OE1 3.96Å; R123-E127 VanDerWaalsContact CZ-OE1 3.27Å; R123-E127 IonicContact NE-OE1 3.87Å; R123-E127 PolarHBondContact NE-OE1 3.39Å; R123-E127 IonicContact NH2-OE1 2.99Å; R123-E127 PolarHBondContact NH2-OE1 2.95Å; R123-E127 WeakPolarHBondContact O-CG 3.13Å; R123-E127 PolarHBondContact O-N 3.23Å; R123-W145 VanDerWaalsContact NH1-CZ3 3.31Å
124R93.7Very high93.6Very high183 Ų18343.9 Ų43.969%0.69122%0.215SC*.Hα-helixtrans-59-38.9177.8-175.2178.7-180174.70.5111.6S122 E127 M128S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.1Å; S122-R124 PolarHBondContact OG-N 3.45Å; R124-E127 PolarHBondContact O-N 3.39Å; R124-M128 WeakPolarHBondContact O-CG 3.24Å; R124-M128 PolarHBondContact O-N 3.43Å; R124-M128 VanDerWaalsContact O-N 3.07Å
125N95.2Very high93.7Very high30 Ų3051 Ų5116%0.1625%0.248CC..Hα-helixtrans-72-41.4179.2-61.7-4.9000110.7F97 F120 S122 R123 E127 M128 A129F97-N125 WeakPolarHBondContact O-CB 3.41Å; F97-N125 VanDerWaalsContact O-CG 3.23Å; F97-N125 PolarHBondContact O-OD1 3.03Å; F120-N125 HydrophobicContact CD1-CB 3.96Å; S122-N125 WeakPolarHBondContact O-CB 3.41Å; S122-N125 PolarHBondContact O-N 3.33Å; S122-N125 VanDerWaalsContact O-N 3.09Å; R123-N125 PolarHBondContact O-N 3.2Å; N125-E127 VanDerWaalsContact C-N 3.32Å; N125-E127 PolarHBondContact O-N 3.44Å; N125-M128 PolarHBondContact O-N 3.42Å; N125-M128 WeakPolarHBondContact OD1-CE 3.36Å; N125-A129 WeakPolarHBondContact O-CB 3.28Å; N125-A129 PolarHBondContact O-N 3.15Å
126A94.9Very high93.6Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-57.2-45172.700000111.6M77 F120 S122 R123 A129 F130 W145M77-A126 HydrophobicContact CE-CB 4.15Å; M77-A126 WeakPolarHBondContact CE-O 3.39Å; F120-A126 HydrophobicContact CB-CB 3.9Å; F120-A126 HydrophobicContact CD2-CB 3.87Å; F120-A126 HydrophobicContact CG-CB 4.05Å; S122-A126 PolarHBondContact O-N 3.18Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 2.94Å; A126-A129 PolarHBondContact O-N 3.45Å; A126-F130 WeakPolarHBondContact O-CB 3.39Å; A126-F130 PolarHBondContact O-N 3.09Å; A126-W145 HydrophobicContact CB-CH2 3.81Å; A126-W145 HydrophobicContact CB-CZ3 3.93Å
127E94.6Very high93.4Very high68 Ų6853 Ų5332%0.31826%0.262SS..Hα-helixtrans-64.7-41.7179-72.9176.8172.700112R73 R123 R124 N125 F130 A131 W145R73-E127 IonicContact NH1-OE1 3.2Å; R123-E127 HydrophobicContact CG-CG 4.38Å; R123-E127 IonicContact CZ-OE1 3.96Å; R123-E127 VanDerWaalsContact CZ-OE1 3.27Å; R123-E127 IonicContact NE-OE1 3.87Å; R123-E127 PolarHBondContact NE-OE1 3.39Å; R123-E127 IonicContact NH2-OE1 2.99Å; R123-E127 PolarHBondContact NH2-OE1 2.95Å; R123-E127 WeakPolarHBondContact O-CG 3.13Å; R123-E127 PolarHBondContact O-N 3.23Å; R124-E127 PolarHBondContact O-N 3.39Å; N125-E127 VanDerWaalsContact C-N 3.32Å; N125-E127 PolarHBondContact O-N 3.44Å; E127-F130 PolarHBondContact O-N 3.28Å; E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.46Å; E127-A131 PolarHBondContact O-N 2.87Å; E127-W145 HydrophobicContact CG-CH2 4.49Å
128M95.2Very high93.1Very high70 Ų7057 Ų5735%0.34530%0.304SS..Hα-helixtrans-63.3-44.9174.5-71.1-171.9-55.200111.8F97 R124 N125 A131 K132F97-M128 HydrophobicContact CD1-CB 4.25Å; R124-M128 WeakPolarHBondContact O-CG 3.24Å; R124-M128 PolarHBondContact O-N 3.43Å; R124-M128 VanDerWaalsContact O-N 3.07Å; N125-M128 PolarHBondContact O-N 3.42Å; N125-M128 WeakPolarHBondContact OD1-CE 3.36Å; M128-A131 PolarHBondContact O-N 2.92Å; M128-K132 WeakPolarHBondContact O-CB 3.49Å; M128-K132 PolarHBondContact O-N 3.48Å
129A95Very high92.9Very high0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-64.1-39.217700000111.8M77 L94 F97 F120 N125 A126 G133M77-A129 HydrophobicContact CE-CB 4.39Å; L94-A129 HydrophobicContact CD2-CB 4.34Å; F97-A129 HydrophobicContact CB-CB 3.92Å; F97-A129 HydrophobicContact CD2-CB 3.79Å; F97-A129 HydrophobicContact CG-CB 3.91Å; F120-A129 HydrophobicContact CE1-CB 4.03Å; F120-A129 HydrophobicContact CE2-CB 3.69Å; F120-A129 HydrophobicContact CZ-CB 3.3Å; N125-A129 WeakPolarHBondContact O-CB 3.28Å; N125-A129 PolarHBondContact O-N 3.15Å; A126-A129 PolarHBondContact O-N 3.45Å; A129-G133 CarbonylContact O-C 3.59Å; A129-G133 WeakPolarHBondContact O-CA 3.27Å; A129-G133 PolarHBondContact O-N 2.92Å
130F94.3Very high92.8Very high37 Ų3769.3 Ų69.316%0.16236%0.364CS..Hα-helixtrans-69.8-34.2176.9-167.2-89.1000112.6M77 A126 E127 K134 L143 W145M77-F130 HydrophobicContact CE-CB 4.04Å; M77-F130 HydrophobicContact CE-CD2 4.35Å; M77-F130 HydrophobicContact SD-CD2 4.18Å; A126-F130 WeakPolarHBondContact O-CB 3.39Å; A126-F130 PolarHBondContact O-N 3.09Å; E127-F130 PolarHBondContact O-N 3.28Å; F130-K134 WeakPolarHBondContact O-CD 3.5Å; F130-K134 WeakPolarHBondContact O-CE 3.47Å; F130-K134 WeakPolarHBondContact O-CG 3.49Å; F130-L143 HydrophobicContact CD2-CB 4.06Å; F130-L143 HydrophobicContact CE2-CB 3.76Å; F130-L143 HydrophobicContact CZ-CB 4.48Å; F130-W145 HydrophobicContact CB-CH2 3.85Å; F130-W145 HydrophobicContact CB-CZ2 3.31Å; F130-W145 AromaticContact CD1-CE2 3.86Å; F130-W145 AromaticContact CD1-CZ2 3.94Å; F130-W145 HydrophobicContact CD1-CZ2 3.94Å; F130-W145 AromaticContact CD1-NE1 3.4Å; F130-W145 AromaticContact CD2-CD2 3.99Å; F130-W145 HydrophobicContact CD2-CD2 3.99Å; F130-W145 AromaticContact CD2-CE2 3.45Å; F130-W145 VanDerWaalsContact CD2-CE2 3.45Å; F130-W145 HydrophobicContact CD2-CG 4.38Å; F130-W145 HydrophobicContact CD2-CH2 4.4Å; F130-W145 AromaticContact CD2-CZ2 3.71Å; F130-W145 HydrophobicContact CD2-CZ2 3.71Å; F130-W145 AromaticContact CD2-NE1 3.49Å; F130-W145 AromaticContact CE1-CD1 3.96Å; F130-W145 AromaticContact CE1-NE1 3.34Å; F130-W145 VanDerWaalsContact CE1-NE1 3.34Å; F130-W145 AromaticContact CE2-CD1 3.6Å; F130-W145 HydrophobicContact CE2-CD2 4.15Å; F130-W145 AromaticContact CE2-CE2 3.82Å; F130-W145 HydrophobicContact CE2-CG 4.06Å; F130-W145 AromaticContact CE2-NE1 3.42Å; F130-W145 HydrophobicContact CG-CD2 4.44Å; F130-W145 AromaticContact CG-CE2 3.47Å; F130-W145 VanDerWaalsContact CG-CE2 3.47Å; F130-W145 HydrophobicContact CG-CH2 4.25Å; F130-W145 AromaticContact CG-CZ2 3.37Å; F130-W145 HydrophobicContact CG-CZ2 3.37Å; F130-W145 AromaticContact CG-NE1 3.48Å; F130-W145 AromaticContact CZ-CD1 3.54Å; F130-W145 HydrophobicContact CZ-CG 4.4Å; F130-W145 AromaticContact CZ-NE1 3.35Å
131A93.4Very high92.7Very high75 Ų7570.3 Ų70.362%0.6237%0.369SS*.Hα-helixtrans-78.4-44.1179.800000112.7E127 M128E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.46Å; E127-A131 PolarHBondContact O-N 2.87Å; M128-A131 PolarHBondContact O-N 2.92Å
132K92.4Very high92.8Very high149 Ų14971.1 Ų71.165%0.64837%0.371SS*.Hα-helixtrans-106.4-32.2-173.2-65.3-176175.8-174.90113.6F97 M128 K134 E135F97-K132 HydrophobicContact CE1-CB 3.66Å; F97-K132 HydrophobicContact CE1-CD 4.4Å; F97-K132 HydrophobicContact CZ-CB 3.98Å; M128-K132 WeakPolarHBondContact O-CB 3.49Å; M128-K132 PolarHBondContact O-N 3.48Å; K132-K134 PolarHBondContact O-N 2.99Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K132-E135 PolarHBondContact O-N 3.34Å
133G90.4Very high92.8Very high0 Ų069.5 Ų69.50%036%0.359CS..THydrogen-bonded Turntrans-73.71.9-178.400000114.7A129 E135A129-G133 CarbonylContact O-C 3.59Å; A129-G133 WeakPolarHBondContact O-CA 3.27Å; A129-G133 PolarHBondContact O-N 2.92Å; G133-E135 PolarHBondContact O-N 3.49Å
134K91.7Very high92.9Very high81 Ų8172.4 Ų72.435%0.35237%0.374SS..THydrogen-bonded Turntrans-62.3-32.2167.8-76.2177.4175.6-168.70111.9F130 K132 T140 L141 L143F130-K134 WeakPolarHBondContact O-CD 3.5Å; F130-K134 WeakPolarHBondContact O-CE 3.47Å; F130-K134 WeakPolarHBondContact O-CG 3.49Å; K132-K134 PolarHBondContact O-N 2.99Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-T140 CarbonylContact O-C 3.48Å; K134-T140 VanDerWaalsContact O-CA 3.3Å; K134-T140 WeakPolarHBondContact O-CA 3.48Å; K134-L141 PolarHBondContact O-N 2.86Å; K134-L143 HydrophobicContact CB-CD1 4.08Å; K134-L143 HydrophobicContact CG-CD1 3.37Å
135E92.7Very high93Very high148 Ų14867.1 Ų67.169%0.69235%0.354SS*.EExtended strand (participates in β ladder)trans-85.2113.5178.7-64.7179.4-178.900109.4H93 K132 G133 R139H93-E135 PolarHBondContact CE1-O 2.84Å; H93-E135 PolarHBondContact NE2-O 3.06Å; K132-E135 PolarHBondContact O-N 3.34Å; G133-E135 PolarHBondContact O-N 3.49Å; E135-R139 WeakPolarHBondContact CA-O 3.37Å
136F91.3Very high92.8Very high7 Ų766.2 Ų66.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-139.5125.1-179.2178.2-106.5000109.6L82 E86 A89 L90 H93 G138 R139 L141L82-F136 HydrophobicContact CD1-CE1 4.19Å; E86-F136 HydrophobicContact CB-CE1 4Å; E86-F136 HydrophobicContact CB-CZ 4.24Å; E86-F136 HydrophobicContact CG-CE1 4.41Å; A89-F136 HydrophobicContact CB-CE2 4.23Å; A89-F136 HydrophobicContact CB-CZ 3.84Å; L90-F136 HydrophobicContact CB-CE2 4.4Å; L90-F136 HydrophobicContact CB-CZ 4.22Å; L90-F136 HydrophobicContact CD1-CD2 4.35Å; L90-F136 HydrophobicContact CD1-CE2 4.46Å; L90-F136 HydrophobicContact CD1-CG 4.49Å; H93-F136 HydrophobicContact CB-CD2 3.92Å; H93-F136 HydrophobicContact CB-CE2 3.92Å; H93-F136 AromaticContact CG-CD2 3.78Å; H93-F136 AromaticContact ND1-CD2 3.67Å; F136-G138 PolarHBondContact O-N 3.48Å; F136-G138 VanDerWaalsContact O-N 3.12Å; F136-R139 PolarHBondContact N-O 2.98Å; F136-R139 WeakPolarHBondContact O-CA 3.18Å; F136-R139 WeakPolarHBondContact O-CB 3.41Å; F136-R139 PolarHBondContact O-N 3.18Å; F136-R139 VanDerWaalsContact O-O 3.1Å; F136-L141 HydrophobicContact CB-CD1 3.53Å; F136-L141 HydrophobicContact CB-CD2 4.31Å; F136-L141 HydrophobicContact CB-CG 3.75Å; F136-L141 HydrophobicContact CD1-CD1 4.25Å; F136-L141 HydrophobicContact CD1-CD2 4.2Å; F136-L141 HydrophobicContact CD1-CG 4.5Å; F136-L141 HydrophobicContact CG-CD1 3.98Å; F136-L141 HydrophobicContact CG-CG 4.45Å
137N88.4Confident92.5Very high101 Ų10171 Ų7154%0.5437%0.374SS..THydrogen-bonded Turntrans50.336.2-179.1-67.1-12.1000114.4E86 R139E86-N137 PolarHBondContact OE1-ND2 3Å; N137-R139 PolarHBondContact O-N 3.45Å
138G88.8Confident92Very high87 Ų8771.3 Ų71.390%0.89738%0.378SS*.THydrogen-bonded Turntrans73.510.5-177.400000114.6F136F136-G138 PolarHBondContact O-N 3.48Å; F136-G138 VanDerWaalsContact O-N 3.12Å
139R91.1Very high91.4Very high139 Ų13972.3 Ų72.353%0.52539%0.392SS..EExtended strand (participates in β ladder)trans-116.4156.6175.8-59.7177.6-177.9164.31.5110.2E135 F136 N137E135-R139 WeakPolarHBondContact CA-O 3.37Å; F136-R139 PolarHBondContact N-O 2.98Å; F136-R139 WeakPolarHBondContact O-CA 3.18Å; F136-R139 WeakPolarHBondContact O-CB 3.41Å; F136-R139 PolarHBondContact O-N 3.18Å; F136-R139 VanDerWaalsContact O-O 3.1Å; N137-R139 PolarHBondContact O-N 3.45Å
140T92.6Very high90.9Very high120 Ų12074.1 Ų74.174%0.73640%0.402SS*.EExtended strand (participates in β ladder)trans-97.8112.2173.553.90000110.1K134K134-T140 CarbonylContact O-C 3.48Å; K134-T140 VanDerWaalsContact O-CA 3.3Å; K134-T140 WeakPolarHBondContact O-CA 3.48Å
141L92.8Very high90.4Very high22 Ų2274.4 Ų74.412%0.11540%0.403CS..  trans-69.7146.3173.8-61.8177000110.8V79 L90 K134 F136 L143V79-L141 HydrophobicContact CG1-CB 4.26Å; V79-L141 HydrophobicContact CG1-CD1 3.99Å; V79-L141 HydrophobicContact CG1-CD2 4.43Å; V79-L141 HydrophobicContact CG1-CG 4.46Å; L90-L141 HydrophobicContact CD1-CD1 3.58Å; K134-L141 PolarHBondContact O-N 2.86Å; F136-L141 HydrophobicContact CB-CD1 3.53Å; F136-L141 HydrophobicContact CB-CD2 4.31Å; F136-L141 HydrophobicContact CB-CG 3.75Å; F136-L141 HydrophobicContact CD1-CD1 4.25Å; F136-L141 HydrophobicContact CD1-CD2 4.2Å; F136-L141 HydrophobicContact CD1-CG 4.5Å; F136-L141 HydrophobicContact CG-CD1 3.98Å; F136-L141 HydrophobicContact CG-CG 4.45Å; L141-L143 HydrophobicContact CB-CD1 3.93Å
142N94.2Very high89.9Confident91 Ų9176.5 Ų76.549%0.48740%0.403SS..EExtended strand (participates in β ladder)trans-90.8116.5171.3-174.510.3000109.1Y80Y80-N142 HydrophobicContact CD2-CB 4.43Å; Y80-N142 PolarHBondContact N-O 3.26Å
143L94.7Very high89.5Confident12 Ų1269.4 Ų69.46%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-122.7136.6-174.8-75.7128.3000110.3M77 I78 V79 F130 K134 L141M77-L143 HydrophobicContact CG-CD2 4.12Å; M77-L143 HydrophobicContact SD-CD2 3.43Å; M77-L143 WeakPolarHBondContact SD-CD2 3.29Å; I78-L143 WeakPolarHBondContact O-CA 3.44Å; V79-L143 HydrophobicContact CG2-CD2 3.73Å; V79-L143 HydrophobicContact CG2-CG 4.41Å; F130-L143 HydrophobicContact CD2-CB 4.06Å; F130-L143 HydrophobicContact CE2-CB 3.76Å; F130-L143 HydrophobicContact CZ-CB 4.48Å; K134-L143 HydrophobicContact CB-CD1 4.08Å; K134-L143 HydrophobicContact CG-CD1 3.37Å; L141-L143 HydrophobicContact CB-CD1 3.93Å
144E94.4Very high89.2Confident100 Ų10071.3 Ų71.347%0.46738%0.381SS..EExtended strand (participates in β ladder)trans-133.8141.3178.1-179.9178.2-168.400110.9M77 I78 Y80M77-E144 CarbonylContact C-O 3.58Å; M77-E144 WeakPolarHBondContact CA-O 3.3Å; M77-E144 WeakPolarHBondContact CB-O 3.32Å; I78-E144 HydrophobicContact CG2-CB 3.72Å; I78-E144 HydrophobicContact CG2-CG 4.44Å; I78-E144 PolarHBondContact N-O 3.37Å; I78-E144 PolarHBondContact O-N 3.37Å; Y80-E144 HydrophobicContact CE2-CB 3.79Å; Y80-E144 VanDerWaalsContact CE2-OE2 3.31Å; Y80-E144 WeakPolarHBondContact CE2-OE2 3.22Å; Y80-E144 PolarHBondContact OH-OE2 3.41Å
145W94.7Very high88.9Confident73 Ų7368.3 Ų68.328%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-78.2143.9176.8-72.1107.5000111.2M77 R123 A126 E127 F130M77-W145 HydrophobicContact CB-CE3 4.36Å; M77-W145 HydrophobicContact CE-CH2 3.87Å; M77-W145 HydrophobicContact CE-CZ3 3.84Å; R123-W145 VanDerWaalsContact NH1-CZ3 3.31Å; A126-W145 HydrophobicContact CB-CH2 3.81Å; A126-W145 HydrophobicContact CB-CZ3 3.93Å; E127-W145 HydrophobicContact CG-CH2 4.49Å; F130-W145 HydrophobicContact CB-CH2 3.85Å; F130-W145 HydrophobicContact CB-CZ2 3.31Å; F130-W145 AromaticContact CD1-CE2 3.86Å; F130-W145 AromaticContact CD1-CZ2 3.94Å; F130-W145 HydrophobicContact CD1-CZ2 3.94Å; F130-W145 AromaticContact CD1-NE1 3.4Å; F130-W145 AromaticContact CD2-CD2 3.99Å; F130-W145 HydrophobicContact CD2-CD2 3.99Å; F130-W145 AromaticContact CD2-CE2 3.45Å; F130-W145 VanDerWaalsContact CD2-CE2 3.45Å; F130-W145 HydrophobicContact CD2-CG 4.38Å; F130-W145 HydrophobicContact CD2-CH2 4.4Å; F130-W145 AromaticContact CD2-CZ2 3.71Å; F130-W145 HydrophobicContact CD2-CZ2 3.71Å; F130-W145 AromaticContact CD2-NE1 3.49Å; F130-W145 AromaticContact CE1-CD1 3.96Å; F130-W145 AromaticContact CE1-NE1 3.34Å; F130-W145 VanDerWaalsContact CE1-NE1 3.34Å; F130-W145 AromaticContact CE2-CD1 3.6Å; F130-W145 HydrophobicContact CE2-CD2 4.15Å; F130-W145 AromaticContact CE2-CE2 3.82Å; F130-W145 HydrophobicContact CE2-CG 4.06Å; F130-W145 AromaticContact CE2-NE1 3.42Å; F130-W145 HydrophobicContact CG-CD2 4.44Å; F130-W145 AromaticContact CG-CE2 3.47Å; F130-W145 VanDerWaalsContact CG-CE2 3.47Å; F130-W145 HydrophobicContact CG-CH2 4.25Å; F130-W145 AromaticContact CG-CZ2 3.37Å; F130-W145 HydrophobicContact CG-CZ2 3.37Å; F130-W145 AromaticContact CG-NE1 3.48Å; F130-W145 AromaticContact CZ-CD1 3.54Å; F130-W145 HydrophobicContact CZ-CG 4.4Å; F130-W145 AromaticContact CZ-NE1 3.35Å
146I91.8Very high88.4Confident10 Ų1063.3 Ų63.35%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-121.2131.9177.5-54.5160.8000109.2T74 S76 I78 L117 D150 Q154T74-I146 WeakPolarHBondContact CB-O 3.44Å; T74-I146 WeakPolarHBondContact CG2-O 3.3Å; S76-I146 PolarHBondContact O-N 2.91Å; I78-I146 HydrophobicContact CB-CD1 3.89Å; I78-I146 HydrophobicContact CB-CG1 4.46Å; I78-I146 HydrophobicContact CG2-CD1 4.19Å; I78-I146 HydrophobicContact CG2-CG1 4.23Å; L117-I146 HydrophobicContact CD1-CD1 2.98Å; L117-I146 HydrophobicContact CD1-CG1 4.47Å; L117-I146 HydrophobicContact CG-CD1 4.5Å; I146-D150 HydrophobicContact CG2-CB 4.49Å; I146-Q154 HydrophobicContact CD1-CG 4.05Å; I146-Q154 HydrophobicContact CG1-CG 4.45Å; I146-Q154 HydrophobicContact CG2-CB 4.14Å; I146-Q154 HydrophobicContact CG2-CG 4.43Å
147D88.7Confident88Confident100 Ų10064 Ų6454%0.53536%0.358SS..  trans-61.2139.4175.4-74.4-29.4000111.8T74 S149 D150 K151T74-D147 HydrophobicContact CG2-CB 4.49Å; T74-D147 WeakPolarHBondContact CG2-OD1 3.43Å; D147-S149 PolarHBondContact O-N 3.05Å; D147-S149 VanDerWaalsContact O-N 3.13Å; D147-D150 HydrophobicContact CB-CB 4.34Å; D147-D150 PolarHBondContact O-N 3.23Å; D147-K151 PolarHBondContact O-N 3.22Å
148N82.8Confident87.7Confident76 Ų7659.7 Ų59.741%0.40634%0.335SS..THydrogen-bonded Turntrans-60.4-28.3-176.4-66.2-32.8000111.9R73 T74 R75 D150R73-N148 PolarHBondContact O-ND2 3.19Å; R73-N148 VanDerWaalsContact O-ND2 3.13Å; T74-N148 WeakPolarHBondContact CA-OD1 3.45Å; R75-N148 PolarHBondContact N-OD1 3.4Å; R75-N148 VanDerWaalsContact N-OD1 3.17Å; N148-D150 VanDerWaalsContact C-N 3.32Å
149S83.4Confident87.2Confident90 Ų9057.9 Ų57.963%0.62932%0.316SS*.THydrogen-bonded Turntrans-71.2-27.917457.30000113.4D147D147-S149 PolarHBondContact O-N 3.05Å; D147-S149 VanDerWaalsContact O-N 3.13Å
150D84.1Confident86Confident39 Ų3954 Ų5421%0.20931%0.314CS..THydrogen-bonded Turntrans-102.32.7-169-7523.6000111.6I146 D147 N148 L152 A153 Q154I146-D150 HydrophobicContact CG2-CB 4.49Å; D147-D150 HydrophobicContact CB-CB 4.34Å; D147-D150 PolarHBondContact O-N 3.23Å; N148-D150 VanDerWaalsContact C-N 3.32Å; D150-L152 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.04Å; D150-A153 WeakPolarHBondContact O-CB 3.49Å; D150-A153 PolarHBondContact O-N 3.27Å; D150-Q154 VanDerWaalsContact O-CB 3.29Å; D150-Q154 WeakPolarHBondContact O-CB 3.47Å; D150-Q154 PolarHBondContact O-N 3.44Å
151K84.3Confident84.4Confident42 Ų4253 Ų5318%0.18331%0.305CS..Hα-helixtrans-53.7-49.1177.7-174.4-176.3170.91800111.9D102 L117 S119 D147 Q154 A155D102-K151 IonicContact OD2-NZ 3.27Å; D102-K151 PolarHBondContact OD2-NZ 3.15Å; L117-K151 HydrophobicContact CD2-CG 4.04Å; S119-K151 WeakPolarHBondContact OG-CE 3.25Å; S119-K151 PolarHBondContact OG-NZ 3.01Å; D147-K151 PolarHBondContact O-N 3.22Å; K151-Q154 PolarHBondContact O-N 2.96Å; K151-A155 WeakPolarHBondContact O-CB 3.5Å; K151-A155 PolarHBondContact O-N 3.23Å
152L83Confident82.2Confident119 Ų11954 Ų5462%0.62331%0.313SS*.Hα-helixtrans-67.4-43.1179.5-68.1177.5000112D150 Q154 A155 V156 L172D150-L152 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.04Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.91Å; L152-A155 WeakPolarHBondContact O-CB 3.41Å; L152-A155 PolarHBondContact O-N 2.99Å; L152-V156 WeakPolarHBondContact O-CG2 3.47Å; L152-V156 PolarHBondContact O-N 3.47Å; L152-L172 HydrophobicContact CB-CD2 4.31Å
153A83.8Confident80Confident1 Ų160.4 Ų60.41%0.00833%0.33CS..Hα-helixtrans-58.6-44.1176.300000111.1D150 V156 A157 P168 L172D150-A153 WeakPolarHBondContact O-CB 3.49Å; D150-A153 PolarHBondContact O-N 3.27Å; A153-V156 PolarHBondContact O-N 2.83Å; A153-A157 WeakPolarHBondContact O-CB 3.47Å; A153-A157 PolarHBondContact O-N 2.92Å; A153-P168 HydrophobicContact CB-CB 3.81Å; A153-P168 WeakPolarHBondContact CB-O 3.49Å; A153-P168 WeakPolarHBondContact O-CB 3.4Å; A153-L172 HydrophobicContact CB-CB 4.32Å; A153-L172 HydrophobicContact CB-CD2 4.3Å
154Q84.7Confident78Confident39 Ų3962.4 Ų62.418%0.18235%0.345CS..Hα-helixtrans-66.3-43.7177.1-165.264.543.200111.4I146 D150 K151 L152 V156 A157 L158I146-Q154 HydrophobicContact CD1-CG 4.05Å; I146-Q154 HydrophobicContact CG1-CG 4.45Å; I146-Q154 HydrophobicContact CG2-CB 4.14Å; I146-Q154 HydrophobicContact CG2-CG 4.43Å; D150-Q154 VanDerWaalsContact O-CB 3.29Å; D150-Q154 WeakPolarHBondContact O-CB 3.47Å; D150-Q154 PolarHBondContact O-N 3.44Å; K151-Q154 PolarHBondContact O-N 2.96Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.91Å; Q154-V156 VanDerWaalsContact C-N 3.32Å; Q154-V156 PolarHBondContact O-N 3.23Å; Q154-A157 PolarHBondContact O-N 3.38Å; Q154-L158 HydrophobicContact CG-CD1 4.09Å; Q154-L158 HydrophobicContact CG-CG 4.4Å; Q154-L158 WeakPolarHBondContact O-CB 3.32Å; Q154-L158 WeakPolarHBondContact O-CG 3.45Å; Q154-L158 PolarHBondContact O-N 2.99Å
155A84.9Confident76.2Confident19 Ų1966.2 Ų66.216%0.15737%0.368CS..Hα-helixtrans-56.1-46.1174.400000111.9Y106 L117 K151 L152 L158 G159Y106-A155 WeakPolarHBondContact CE1-O 3.37Å; Y106-A155 WeakPolarHBondContact OH-CA 3.33Å; Y106-A155 WeakPolarHBondContact OH-CB 3.41Å; L117-A155 HydrophobicContact CD2-CB 4.08Å; K151-A155 WeakPolarHBondContact O-CB 3.5Å; K151-A155 PolarHBondContact O-N 3.23Å; L152-A155 WeakPolarHBondContact O-CB 3.41Å; L152-A155 PolarHBondContact O-N 2.99Å; A155-L158 PolarHBondContact O-N 2.65Å; A155-G159 PolarHBondContact O-N 3.38Å
156V82.4Confident74.7Confident43 Ų4365.9 Ų65.926%0.26137%0.374SS..Hα-helixtrans-62.7-47.8175.8169.90000111.2L152 A153 Q154 L158 G159 A160 L171 L172 I175L152-V156 WeakPolarHBondContact O-CG2 3.47Å; L152-V156 PolarHBondContact O-N 3.47Å; A153-V156 PolarHBondContact O-N 2.83Å; Q154-V156 VanDerWaalsContact C-N 3.32Å; Q154-V156 PolarHBondContact O-N 3.23Å; V156-L158 VanDerWaalsContact C-N 3.26Å; V156-L158 PolarHBondContact O-N 3.46Å; V156-G159 PolarHBondContact O-N 3.32Å; V156-A160 VanDerWaalsContact O-CB 3.28Å; V156-A160 WeakPolarHBondContact O-CB 3.41Å; V156-A160 PolarHBondContact O-N 3.14Å; V156-L171 HydrophobicContact CG1-CB 4.3Å; V156-L172 HydrophobicContact CG2-CD1 3.95Å; V156-I175 HydrophobicContact CG1-CD1 3.77Å; V156-I175 HydrophobicContact CG2-CD1 4.14Å
157A82.5Confident73.8Confident20 Ų2068.6 Ų68.617%0.16539%0.394CS..Hα-helixtrans-61.6-34.4179.900000112.8A153 Q154 P168 L171A153-A157 WeakPolarHBondContact O-CB 3.47Å; A153-A157 PolarHBondContact O-N 2.92Å; Q154-A157 PolarHBondContact O-N 3.38Å; A157-P168 HydrophobicContact CB-CB 3.92Å; A157-P168 HydrophobicContact CB-CG 4.07Å; A157-L171 HydrophobicContact CB-CD1 3.85Å
158L82.2Confident73.1Confident11 Ų1165.2 Ų65.26%0.05838%0.378CS..Hα-helixtrans-76.9-35.6176.9-65170.2000112.7I78 Y106 K115 Q154 A155 V156I78-L158 HydrophobicContact CD1-CD1 3.55Å; I78-L158 HydrophobicContact CD1-CD2 3.6Å; I78-L158 HydrophobicContact CD1-CG 4.15Å; Y106-L158 HydrophobicContact CD1-CB 3.74Å; Y106-L158 HydrophobicContact CD2-CB 3.68Å; Y106-L158 HydrophobicContact CD2-CD1 3.57Å; Y106-L158 HydrophobicContact CD2-CG 4.27Å; Y106-L158 HydrophobicContact CE1-CB 4.21Å; Y106-L158 HydrophobicContact CE2-CB 4.14Å; Y106-L158 HydrophobicContact CE2-CD1 3.75Å; Y106-L158 HydrophobicContact CG-CB 3.45Å; Y106-L158 VanDerWaalsContact CG-CB 3.45Å; Y106-L158 HydrophobicContact CG-CD1 4.23Å; Y106-L158 HydrophobicContact CG-CG 4.46Å; K115-L158 HydrophobicContact CB-CD2 4.3Å; K115-L158 HydrophobicContact CD-CD2 3.44Å; K115-L158 VanDerWaalsContact CD-CD2 3.44Å; Q154-L158 HydrophobicContact CG-CD1 4.09Å; Q154-L158 HydrophobicContact CG-CG 4.4Å; Q154-L158 WeakPolarHBondContact O-CB 3.32Å; Q154-L158 WeakPolarHBondContact O-CG 3.45Å; Q154-L158 PolarHBondContact O-N 2.99Å; A155-L158 PolarHBondContact O-N 2.65Å; V156-L158 VanDerWaalsContact C-N 3.26Å; V156-L158 PolarHBondContact O-N 3.46Å
159G78.2Confident72.8Confident49 Ų4967.8 Ų67.851%0.50539%0.385SS..Hα-helixtrans-76.6-30.1179.100000114.1A155 V156 D161A155-G159 PolarHBondContact O-N 3.38Å; V156-G159 PolarHBondContact O-N 3.32Å; G159-D161 PolarHBondContact O-N 3.46Å
160A65.8Low72.4Confident59 Ų5965.8 Ų65.849%0.48838%0.375SS..THydrogen-bonded Turntrans-83.4-2.2-17200000115.1V156 C162V156-A160 VanDerWaalsContact O-CB 3.28Å; V156-A160 WeakPolarHBondContact O-CB 3.41Å; V156-A160 PolarHBondContact O-N 3.14Å; A160-C162 HydrophobicContact CB-CB 4.07Å; A160-C162 PolarHBondContact O-N 3.06Å
161D58.7Low71.8Confident99 Ų9965 Ų6553%0.52937%0.37SS..THydrogen-bonded Turntrans45.227.5-173.2-93.4-19.9000113.1G159 R163G159-D161 PolarHBondContact O-N 3.46Å; D161-R163 PolarHBondContact O-N 3.44Å
162C46.3Very low71.2Confident42 Ų4265.9 Ų65.928%0.28438%0.376SS..  trans-73.3111.3-163.1510000109.7A160 S164 L171A160-C162 HydrophobicContact CB-CB 4.07Å; A160-C162 PolarHBondContact O-N 3.06Å; C162-S164 PolarHBondContact O-N 2.95Å; C162-L171 HydrophobicContact CB-CD1 4.43Å; C162-L171 HydrophobicContact CB-CD2 4.49Å; C162-L171 WeakPolarHBondContact SG-CD1 3.26Å
163R48.6Very low71Confident226 Ų22662.7 Ų62.785%0.85337%0.368SS*.  trans-689.3-179.9-68.3-180167.6-172.2-4.4114.4D161D161-R163 PolarHBondContact O-N 3.44Å
164S52.8Low70.4Confident54 Ų5465.4 Ų65.438%0.37839%0.386SS..SBendtrans-94.6138.8-175.663.70000109.6C162 V166C162-S164 PolarHBondContact O-N 2.95Å; S164-V166 PolarHBondContact O-N 3.3Å; S164-V166 WeakPolarHBondContact OG-CB 3.39Å; S164-V166 WeakPolarHBondContact OG-CG2 3.2Å
165N57.5Low69.5Low179 Ų17968.2 Ų68.296%0.95740%0.402SS*.  trans-69.228171.8-69.4-30.8000112
166V62.5Low68.5Low66 Ų6673.6 Ų73.640%0.443%0.428SS..  trans-85128.4-173.6178.20000106.7S164 A170 L171S164-V166 PolarHBondContact O-N 3.3Å; S164-V166 WeakPolarHBondContact OG-CB 3.39Å; S164-V166 WeakPolarHBondContact OG-CG2 3.2Å; V166-A170 HydrophobicContact CG1-CB 3.43Å; V166-A170 VanDerWaalsContact CG1-CB 3.43Å; V166-L171 HydrophobicContact CB-CD2 4.16Å; V166-L171 HydrophobicContact CB-CG 4.37Å; V166-L171 HydrophobicContact CG1-CD2 3.97Å; V166-L171 HydrophobicContact CG1-CG 4.01Å
167S73.3Confident67.4Low67 Ų6778.7 Ų78.747%0.46945%0.449SS..  trans-51.8138.8174.8172.10000109.6K169 A170 L171S167-K169 PolarHBondContact O-N 3.23Å; S167-A170 WeakPolarHBondContact O-CB 3.43Å; S167-A170 PolarHBondContact O-N 3.15Å; S167-L171 PolarHBondContact O-N 3.49Å
168P73Confident66.1Low30 Ų3084.4 Ų84.420%0.19548%0.476CS..Hα-helixtrans-46.4-36.6176.3-29.334.6000113A153 A157 A170 L171 L172A153-P168 HydrophobicContact CB-CB 3.81Å; A153-P168 WeakPolarHBondContact CB-O 3.49Å; A153-P168 WeakPolarHBondContact O-CB 3.4Å; A157-P168 HydrophobicContact CB-CB 3.92Å; A157-P168 HydrophobicContact CB-CG 4.07Å; P168-A170 PolarHBondContact O-N 3.13Å; P168-L171 WeakPolarHBondContact O-CB 3.38Å; P168-L171 PolarHBondContact O-N 3.23Å; P168-L172 PolarHBondContact O-N 3.48Å; P168-L172 VanDerWaalsContact O-N 3.15Å
169K76.2Confident64.8Low129 Ų12988.6 Ų88.656%0.56151%0.513SS*.Hα-helixtrans-66.2-36.4179.9-168.7168-172.6161.80113.6S167 L172 A173S167-K169 PolarHBondContact O-N 3.23Å; K169-L172 PolarHBondContact O-N 2.95Å; K169-A173 PolarHBondContact O-N 3.42Å; K169-A173 VanDerWaalsContact O-N 3.16Å
170A76.4Confident63.5Low49 Ų4989.3 Ų89.341%0.40552%0.52SS..Hα-helixtrans-72.2-32.7177.100000111.6V166 S167 P168 A173 S174V166-A170 HydrophobicContact CG1-CB 3.43Å; V166-A170 VanDerWaalsContact CG1-CB 3.43Å; S167-A170 WeakPolarHBondContact O-CB 3.43Å; S167-A170 PolarHBondContact O-N 3.15Å; P168-A170 PolarHBondContact O-N 3.13Å; A170-A173 PolarHBondContact O-N 3.19Å; A170-S174 PolarHBondContact O-N 2.99Å; A170-S174 VanDerWaalsContact O-N 3.12Å
171L70Confident62.8Low23 Ų2394.1 Ų94.112%0.1254%0.537CS..Hα-helixtrans-63.4-46172.2-63.4170.8000111.5V156 A157 C162 V166 S167 P168 A173 S174 I175V156-L171 HydrophobicContact CG1-CB 4.3Å; A157-L171 HydrophobicContact CB-CD1 3.85Å; C162-L171 HydrophobicContact CB-CD1 4.43Å; C162-L171 HydrophobicContact CB-CD2 4.49Å; C162-L171 WeakPolarHBondContact SG-CD1 3.26Å; V166-L171 HydrophobicContact CB-CD2 4.16Å; V166-L171 HydrophobicContact CB-CG 4.37Å; V166-L171 HydrophobicContact CG1-CD2 3.97Å; V166-L171 HydrophobicContact CG1-CG 4.01Å; S167-L171 PolarHBondContact O-N 3.49Å; P168-L171 WeakPolarHBondContact O-CB 3.38Å; P168-L171 PolarHBondContact O-N 3.23Å; L171-A173 VanDerWaalsContact C-N 3.28Å; L171-A173 PolarHBondContact O-N 3.44Å; L171-S174 PolarHBondContact O-N 3.34Å; L171-S174 VanDerWaalsContact O-N 3.15Å; L171-S174 PolarHBondContact O-OG 3.46Å; L171-I175 PolarHBondContact O-N 3.4Å
172L73.2Confident62.5Low59 Ų5994.5 Ų94.531%0.30955%0.547SS..Hα-helixtrans-59.1-42.5177.2-169.768.6000111.4L152 A153 V156 P168 K169 S174 I175L152-L172 HydrophobicContact CB-CD2 4.31Å; A153-L172 HydrophobicContact CB-CB 4.32Å; A153-L172 HydrophobicContact CB-CD2 4.3Å; V156-L172 HydrophobicContact CG2-CD1 3.95Å; P168-L172 PolarHBondContact O-N 3.48Å; P168-L172 VanDerWaalsContact O-N 3.15Å; K169-L172 PolarHBondContact O-N 2.95Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 3.48Å; L172-I175 PolarHBondContact O-N 3.24Å
173A78.8Confident63.1Low53 Ų53100.7 Ų100.744%0.43858%0.578SS.*Hα-helixtrans-65.9-28.4178.400000113.9K169 A170 L171 I175K169-A173 PolarHBondContact O-N 3.42Å; K169-A173 VanDerWaalsContact O-N 3.16Å; A170-A173 PolarHBondContact O-N 3.19Å; L171-A173 VanDerWaalsContact C-N 3.28Å; L171-A173 PolarHBondContact O-N 3.44Å; A173-I175 VanDerWaalsContact C-N 3.33Å
174S69.9Low63.7Low57 Ų5797.1 Ų97.140%0.39958%0.575SS.*Hα-helixtrans-72.2-25177.358.70000113.7A170 L171 L172 D176 Q177A170-S174 PolarHBondContact O-N 2.99Å; A170-S174 VanDerWaalsContact O-N 3.12Å; L171-S174 PolarHBondContact O-N 3.34Å; L171-S174 VanDerWaalsContact O-N 3.15Å; L171-S174 PolarHBondContact O-OG 3.46Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 3.48Å; S174-D176 VanDerWaalsContact C-N 3.26Å; S174-D176 PolarHBondContact O-N 3.47Å; S174-Q177 PolarHBondContact O-N 3.14Å
175I66.9Low63.7Low99 Ų9999.5 Ų99.551%0.50859%0.588SS.*Hα-helixtrans-65.9-33.1180-65.2169.9000111V156 L171 L172 A173 Q177V156-I175 HydrophobicContact CG1-CD1 3.77Å; V156-I175 HydrophobicContact CG2-CD1 4.14Å; L171-I175 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 3.24Å; A173-I175 VanDerWaalsContact C-N 3.33Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 PolarHBondContact O-N 3.25Å
176D62.8Low64Low131 Ų13197.9 Ų97.970%0.70159%0.585SS**THydrogen-bonded Turntrans-77-13.6-179.1-64.8-32000113.3S174S174-D176 VanDerWaalsContact C-N 3.26Å; S174-D176 PolarHBondContact O-N 3.47Å
177Q59.1Low63.4Low150 Ų150102.1 Ų102.170%0.70160%0.6SS**THydrogen-bonded Turntrans-86.6-20.4-173.9-69.3-174-4.900114.3S174 I175S174-Q177 PolarHBondContact O-N 3.14Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 PolarHBondContact O-N 3.25Å
178D55.8Low63.2Low140 Ų140104 Ų10475%0.74961%0.613SS**G310 helixtrans-890.6-176.3-88.6-14.3000114.6G180D178-G180 PolarHBondContact O-N 3.03Å
179A55.3Low62.4Low99 Ų99109.8 Ų109.882%0.81864%0.642SS**G310 helixtrans-81.47.7178.100000114.5
180G51.3Low61.6Low64 Ų64116.8 Ų116.866%0.6668%0.677SS**G310 helixtrans-121.710.5-167.600000117.5D178D178-G180 PolarHBondContact O-N 3.03Å
181L50.8Low60.9Low161 Ų161120.2 Ų120.284%0.84369%0.69SS**  trans-12875.8-174.5-78.6155.2000111.7
182S52.5Low60.4Low106 Ų106125.3 Ų125.374%0.74172%0.72SS**  trans-138.597.1161.762.70000108.9
183D58.3Low59.7Low173 Ų173129 Ų12993%0.92574%0.743SS**  trans-171.379.1141.4-96.1-11.4000107.2
184D61.7Low58.5Low150 Ų150133.5 Ų133.580%0.80276%0.761SS**  trans-86117.5169.4-173.330.8000108.6
185T52.1Low57.8Low105 Ų105138.3 Ų138.364%0.64478%0.784SS**  trans51.3106.8140.2-53.50000119.3
186T63.4Low57.2Low145 Ų145140.9 Ų140.989%0.8980%0.802SS**  trans-124.2102.8135.455.20000110.5
187H51.5Low56.8Low155 Ų155141.6 Ų141.672%0.71881%0.81SS**  trans-29.6137.5152.1-159.326.9000114.1
188S68.3Low56.7Low106 Ų106140.9 Ų140.974%0.74182%0.818SS**  161.8117.9117.7-80.90000111.2
189D56.8Low56.7Low151 Ų151141 Ų14181%0.80782%0.824SS**  trans-56.9135.2161.6-58.1-75.9000111
190E59Low56.9Low277 Ų277144.8 Ų144.8100%1.29482%0.824SS**  trans-156.70144.8-99.5-169.5139.200109.6

Retrieved 190 of 190 residues in 49.2 ms (Link to these results)

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