A0A087Y2S0_POEFO Loading...

Thymidine phosphorylase

Catalyzes the reversible phosphorolysis of thymidine. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis.

AlphaFold DB , UniProt , Accession A0A087Y2S0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M58.9Low91.1Very high230 Ų23066.5 Ų66.5100%1.13334%0.335SS*.  0114.70-139.4-178.9-92.400105.9S3M1-S3 PolarHBondContact O-N 2.78Å
2L74.1Confident91.7Very high90 Ų9072.1 Ų72.147%0.47135%0.349SS..  trans-62.9131.9178.4-97.9109.8000109.2D6 L7 E21L2-D6 HydrophobicContact CD2-CB 4.22Å; L2-L7 HydrophobicContact CD2-CD2 4.28Å; L2-L7 HydrophobicContact CD2-CG 4.17Å; L2-E21 HydrophobicContact CD2-CG 4.5Å
3S91.6Very high92.2Very high48 Ų4874.1 Ų74.134%0.33636%0.362SS..  trans-85.5159.4173.375.50000111.1M1 V5 D6 L7M1-S3 PolarHBondContact O-N 2.78Å; S3-V5 PolarHBondContact O-N 3.01Å; S3-V5 PolarHBondContact OG-N 3.45Å; S3-D6 WeakPolarHBondContact CB-OD2 3.43Å; S3-D6 PolarHBondContact N-OD2 2.93Å; S3-D6 PolarHBondContact O-N 3.34Å; S3-D6 PolarHBondContact OG-N 2.89Å; S3-D6 VanDerWaalsContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 2.76Å; S3-L7 PolarHBondContact O-N 2.83Å
4I94.9Very high92.5Very high20 Ų2072.2 Ų72.210%0.10337%0.372CS..Hα-helixtrans-53.1-37.1171.5-70.1168000111.1L7 I8 F24 R33 M34 Q38I4-L7 PolarHBondContact O-N 3.02Å; I4-I8 HydrophobicContact CG2-CD1 3.96Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 2.64Å; I4-I8 VanDerWaalsContact O-N 3.14Å; I4-F24 HydrophobicContact CG1-CE1 3.95Å; I4-F24 HydrophobicContact CG1-CZ 4.33Å; I4-R33 HydrophobicContact CD1-CG 4.43Å; I4-M34 HydrophobicContact CD1-CB 4.1Å; I4-M34 HydrophobicContact CD1-CG 4.1Å; I4-M34 HydrophobicContact CG2-CE 3.81Å; I4-M34 HydrophobicContact CG2-CG 3.9Å; I4-M34 HydrophobicContact CG2-SD 3.94Å; I4-Q38 HydrophobicContact CG2-CB 4.02Å; I4-Q38 HydrophobicContact CG2-CG 4.25Å
5V96.2Very high92.9Very high76 Ų7669 Ų6946%0.46136%0.363SS..Hα-helixtrans-70.3-35.3-179.8-178.90000111.6S3 I8 R9S3-V5 PolarHBondContact O-N 3.01Å; S3-V5 PolarHBondContact OG-N 3.45Å; V5-I8 PolarHBondContact O-N 3.01Å; V5-R9 WeakPolarHBondContact O-CB 3.29Å; V5-R9 PolarHBondContact O-N 2.82Å
6D96.4Very high93.1Very high55 Ų5571.3 Ų71.329%0.29437%0.372SS..Hα-helixtrans-68.7-37.1177.1-60.7-46.7000111.7L2 S3 R9 K10L2-D6 HydrophobicContact CD2-CB 4.22Å; S3-D6 WeakPolarHBondContact CB-OD2 3.43Å; S3-D6 PolarHBondContact N-OD2 2.93Å; S3-D6 PolarHBondContact O-N 3.34Å; S3-D6 PolarHBondContact OG-N 2.89Å; S3-D6 VanDerWaalsContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 2.76Å; D6-R9 PolarHBondContact O-N 2.74Å; D6-R9 IonicContact OD1-CZ 3.68Å; D6-R9 IonicContact OD1-NH1 2.74Å; D6-R9 PolarHBondContact OD1-NH1 3.02Å; D6-R9 IonicContact OD1-NH2 3.93Å; D6-K10 WeakPolarHBondContact O-CB 3.02Å; D6-K10 PolarHBondContact O-N 2.88Å
7L96.8Very high93.4Very high4 Ų467.5 Ų67.52%0.02135%0.352CS..Hα-helixtrans-61.7-48.7173.3-75.5155.9000111.8L2 S3 I4 R9 K10 K11 L17 E21 F24 M42L2-L7 HydrophobicContact CD2-CD2 4.28Å; L2-L7 HydrophobicContact CD2-CG 4.17Å; S3-L7 PolarHBondContact O-N 2.83Å; I4-L7 PolarHBondContact O-N 3.02Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.06Å; L7-K10 PolarHBondContact O-N 2.83Å; L7-K11 PolarHBondContact O-N 3.24Å; L7-L17 HydrophobicContact CD2-CD2 4.19Å; L7-E21 HydrophobicContact CD2-CB 3.44Å; L7-E21 VanDerWaalsContact CD2-CB 3.44Å; L7-E21 HydrophobicContact CD2-CG 3.64Å; L7-F24 HydrophobicContact CD1-CD1 3.3Å; L7-F24 HydrophobicContact CD1-CE1 3.56Å; L7-M42 HydrophobicContact CB-CE 3.81Å
8I98.1Very high93.7Very high25 Ų2567 Ų6713%0.12835%0.352CS..Hα-helixtrans-60.4-45.6176.8-65.5164.2000110I4 V5 K10 K11 R12 M34 Q38 A41 M42I4-I8 HydrophobicContact CG2-CD1 3.96Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 2.64Å; I4-I8 VanDerWaalsContact O-N 3.14Å; V5-I8 PolarHBondContact O-N 3.01Å; I8-K10 PolarHBondContact O-N 3.36Å; I8-K11 PolarHBondContact O-N 3.45Å; I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 PolarHBondContact O-N 3.28Å; I8-M34 HydrophobicContact CD1-CE 4.16Å; I8-M34 HydrophobicContact CG1-CE 4.44Å; I8-Q38 HydrophobicContact CD1-CB 3.97Å; I8-Q38 HydrophobicContact CD1-CG 4.49Å; I8-Q38 WeakPolarHBondContact CD1-O 3.36Å; I8-A41 HydrophobicContact CD1-CB 4.31Å; I8-A41 HydrophobicContact CG2-CB 4.09Å; I8-M42 HydrophobicContact CG1-CB 4.14Å; I8-M42 HydrophobicContact CG1-CE 3.91Å
9R98.2Very high93.9Very high114 Ų11466.9 Ų66.943%0.4335%0.352SS..Hα-helixtrans-57.3-49.8177.5-174.2-172.8-61.2126.65.9110.9V5 D6 L7 K11 R12 D13V5-R9 WeakPolarHBondContact O-CB 3.29Å; V5-R9 PolarHBondContact O-N 2.82Å; D6-R9 PolarHBondContact O-N 2.74Å; D6-R9 IonicContact OD1-CZ 3.68Å; D6-R9 IonicContact OD1-NH1 2.74Å; D6-R9 PolarHBondContact OD1-NH1 3.02Å; D6-R9 IonicContact OD1-NH2 3.93Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.06Å; R9-K11 PolarHBondContact O-N 2.86Å; R9-R12 PolarHBondContact O-N 2.65Å; R9-D13 WeakPolarHBondContact CG-OD2 3.38Å; R9-D13 WeakPolarHBondContact O-CB 3.44Å; R9-D13 PolarHBondContact O-N 3.43Å
10K98.2Very high94Very high65 Ų6570.5 Ų70.528%0.28337%0.367SS..Hα-helixtrans-56.3-50179.6-174.1178.7-175.6-168.20111.1D6 L7 I8 D13 G14 G15 Q16 L17 E21D6-K10 WeakPolarHBondContact O-CB 3.02Å; D6-K10 PolarHBondContact O-N 2.88Å; L7-K10 PolarHBondContact O-N 2.83Å; I8-K10 PolarHBondContact O-N 3.36Å; K10-D13 PolarHBondContact O-N 3Å; K10-G14 PolarHBondContact O-N 3.2Å; K10-G15 WeakPolarHBondContact O-CA 3.46Å; K10-G15 PolarHBondContact O-N 3.38Å; K10-Q16 WeakPolarHBondContact CE-O 3.22Å; K10-Q16 PolarHBondContact NZ-O 3.27Å; K10-L17 HydrophobicContact CD-CD2 4.08Å; K10-L17 HydrophobicContact CG-CD2 4.41Å; K10-E21 IonicContact NZ-OE1 2.64Å; K10-E21 PolarHBondContact NZ-OE1 2.94Å; K10-E21 IonicContact NZ-OE2 2.93Å; K10-E21 PolarHBondContact NZ-OE2 3.5Å
11K98.3Very high94.2Very high5 Ų568.1 Ų68.12%0.02235%0.354CS..Hα-helixtrans-69.1-41.6-178.7-166.455.3172.3179.80112.5L7 I8 R9 D13 G14 G15 L17 M42 A45 I46 R49 G50 E55L7-K11 PolarHBondContact O-N 3.24Å; I8-K11 PolarHBondContact O-N 3.45Å; R9-K11 PolarHBondContact O-N 2.86Å; K11-D13 PolarHBondContact O-N 3.06Å; K11-G14 PolarHBondContact O-N 3.34Å; K11-G15 WeakPolarHBondContact CD-O 3.5Å; K11-L17 HydrophobicContact CB-CD2 4.38Å; K11-L17 HydrophobicContact CD-CD1 4.48Å; K11-L17 HydrophobicContact CD-CG 4.28Å; K11-M42 HydrophobicContact CB-SD 3.96Å; K11-M42 HydrophobicContact CG-SD 4.25Å; K11-A45 HydrophobicContact CB-CB 4.25Å; K11-A45 HydrophobicContact CG-CB 4.2Å; K11-I46 HydrophobicContact CG-CG1 4.05Å; K11-R49 WeakPolarHBondContact O-CG 3.49Å; K11-G50 WeakPolarHBondContact CE-O 3.46Å; K11-G50 PolarHBondContact NZ-O 3.44Å; K11-E55 VanDerWaalsContact NZ-CD 3.32Å; K11-E55 IonicContact NZ-OE1 3.09Å; K11-E55 PolarHBondContact NZ-OE1 3.43Å; K11-E55 IonicContact NZ-OE2 3.2Å; K11-E55 PolarHBondContact NZ-OE2 3.43Å
12R98.1Very high96.1Very high133 Ų13357.1 Ų57.150%0.50230%0.3SS..Hα-helixtrans-54.9-39.9174.7179.9-158.869.4-179.72111.9I8 R9 G14 A45 R49I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 PolarHBondContact O-N 3.28Å; R9-R12 PolarHBondContact O-N 2.65Å; R12-G14 PolarHBondContact O-N 3.12Å; R12-A45 HydrophobicContact CB-CB 4.24Å; R12-R49 PolarHBondContact O-NE 2.92Å; R12-R49 PolarHBondContact O-NH2 3.35Å
13D98.2Very high97.2Very high98 Ų9857.3 Ų57.352%0.52430%0.297SS..THydrogen-bonded Turntrans-82.45.2-178.7-61.9-11.8000112.8R9 K10 K11R9-D13 WeakPolarHBondContact CG-OD2 3.38Å; R9-D13 WeakPolarHBondContact O-CB 3.44Å; R9-D13 PolarHBondContact O-N 3.43Å; K10-D13 PolarHBondContact O-N 3Å; K11-D13 PolarHBondContact O-N 3.06Å
14G97.2Very high97.4Very high48 Ų4857.4 Ų57.450%0.49529%0.291SS..THydrogen-bonded Turntrans86.59.9176.300000114.5K10 K11 R12K10-G14 PolarHBondContact O-N 3.2Å; K11-G14 PolarHBondContact O-N 3.34Å; R12-G14 PolarHBondContact O-N 3.12Å
15G97.7Very high97.6Very high24 Ų2456.6 Ų56.625%0.24729%0.287CS..PPolyproline II helixtrans-71.7145.5176.300000112.7K10 K11K10-G15 WeakPolarHBondContact O-CA 3.46Å; K10-G15 PolarHBondContact O-N 3.38Å; K11-G15 WeakPolarHBondContact CD-O 3.5Å
16Q97.4Very high97.6Very high106 Ų10653.1 Ų53.150%0.49527%0.266SS..PPolyproline II helixtrans-77.6132.7172.3-169.3-178.710.900110.5K10 E52 E55K10-Q16 WeakPolarHBondContact CE-O 3.22Å; K10-Q16 PolarHBondContact NZ-O 3.27Å; Q16-E52 HydrophobicContact CG-CG 4.27Å; Q16-E55 HydrophobicContact CG-CG 3.65Å
17L97.9Very high97.6Very high6 Ų654.9 Ų54.93%0.03127%0.272CS..PPolyproline II helixtrans-81.1141.4174.2-57.6179.6000111.2L7 K10 K11 E21 I22 E55L7-L17 HydrophobicContact CD2-CD2 4.19Å; K10-L17 HydrophobicContact CD-CD2 4.08Å; K10-L17 HydrophobicContact CG-CD2 4.41Å; K11-L17 HydrophobicContact CB-CD2 4.38Å; K11-L17 HydrophobicContact CD-CD1 4.48Å; K11-L17 HydrophobicContact CD-CG 4.28Å; L17-E21 VanDerWaalsContact CA-OE2 3.22Å; L17-E21 WeakPolarHBondContact CA-OE2 3.48Å; L17-E21 HydrophobicContact CB-CB 4.34Å; L17-I22 HydrophobicContact CB-CD1 4.04Å; L17-I22 HydrophobicContact CB-CG1 3.65Å; L17-I22 HydrophobicContact CD1-CG1 4.14Å; L17-E55 WeakPolarHBondContact CB-OE1 3.27Å; L17-E55 PolarHBondContact N-OE1 2.82Å
18T97.8Very high97.5Very high59 Ų5954.9 Ų54.936%0.36227%0.272SS..PPolyproline II helixtrans-80.2168.1172.379.90000111.3E20 E21 I22T18-E20 VanDerWaalsContact C-N 3.3Å; T18-E20 WeakPolarHBondContact CB-OE2 3.34Å; T18-E20 PolarHBondContact O-N 3.35Å; T18-E20 PolarHBondContact OG1-N 2.96Å; T18-E20 PolarHBondContact OG1-OE2 3.22Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 WeakPolarHBondContact O-CB 3.34Å; T18-E21 PolarHBondContact O-N 2.88Å; T18-E21 WeakPolarHBondContact OG1-CG 3.48Å; T18-E21 PolarHBondContact OG1-N 3.38Å; T18-I22 WeakPolarHBondContact O-CG1 3.33Å; T18-I22 PolarHBondContact O-N 3.41Å
19D97.4Very high97.4Very high66 Ų6653.8 Ų53.835%0.35327%0.267SS..Hα-helixtrans-59.4-41.5177.8-85.919.9000112.1I22 K23 T58 R61D19-I22 PolarHBondContact O-N 2.67Å; D19-K23 WeakPolarHBondContact O-CB 3.39Å; D19-K23 PolarHBondContact O-N 2.8Å; D19-T58 HydrophobicContact CB-CG2 4.08Å; D19-T58 WeakPolarHBondContact OD1-CB 3.47Å; D19-T58 PolarHBondContact OD1-OG1 3.31Å; D19-T58 PolarHBondContact OD2-OG1 3.43Å; D19-R61 IonicContact OD2-NH2 2.82Å; D19-R61 PolarHBondContact OD2-NH2 2.82Å; D19-R61 VanDerWaalsContact OD2-NH2 3.09Å
20E97.3Very high97.2Very high138 Ų13850.5 Ų50.565%0.64526%0.26SS*.Hα-helixtrans-67.1-36.9178.1-59.173.1-159.300112T18 F24T18-E20 VanDerWaalsContact C-N 3.3Å; T18-E20 WeakPolarHBondContact CB-OE2 3.34Å; T18-E20 PolarHBondContact O-N 3.35Å; T18-E20 PolarHBondContact OG1-N 2.96Å; T18-E20 PolarHBondContact OG1-OE2 3.22Å; E20-F24 VanDerWaalsContact O-CB 3.3Å; E20-F24 WeakPolarHBondContact O-CB 3.44Å; E20-F24 PolarHBondContact O-N 3.22Å
21E97.9Very high96.9Very high20 Ų2052.1 Ų52.19%0.09328%0.275CS..Hα-helixtrans-67.6-41.7177.8-76177.4161.800111.6L2 L7 K10 L17 T18 F25L2-E21 HydrophobicContact CD2-CG 4.5Å; L7-E21 HydrophobicContact CD2-CB 3.44Å; L7-E21 VanDerWaalsContact CD2-CB 3.44Å; L7-E21 HydrophobicContact CD2-CG 3.64Å; K10-E21 IonicContact NZ-OE1 2.64Å; K10-E21 PolarHBondContact NZ-OE1 2.94Å; K10-E21 IonicContact NZ-OE2 2.93Å; K10-E21 PolarHBondContact NZ-OE2 3.5Å; L17-E21 VanDerWaalsContact CA-OE2 3.22Å; L17-E21 WeakPolarHBondContact CA-OE2 3.48Å; L17-E21 HydrophobicContact CB-CB 4.34Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 WeakPolarHBondContact O-CB 3.34Å; T18-E21 PolarHBondContact O-N 2.88Å; T18-E21 WeakPolarHBondContact OG1-CG 3.48Å; T18-E21 PolarHBondContact OG1-N 3.38Å; E21-F25 WeakPolarHBondContact O-CB 3.42Å; E21-F25 PolarHBondContact O-N 3.43Å
22I98Very high96.6Very high0 Ų060.3 Ų60.30%031%0.311CS..Hα-helixtrans-68.9-43.9176.5-66.2166.8000110.7L17 T18 D19 F24 F25 I26 M51 E55 T58 L59L17-I22 HydrophobicContact CB-CD1 4.04Å; L17-I22 HydrophobicContact CB-CG1 3.65Å; L17-I22 HydrophobicContact CD1-CG1 4.14Å; T18-I22 WeakPolarHBondContact O-CG1 3.33Å; T18-I22 PolarHBondContact O-N 3.41Å; D19-I22 PolarHBondContact O-N 2.67Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.91Å; I22-F25 WeakPolarHBondContact O-CB 3.49Å; I22-F25 PolarHBondContact O-N 3.09Å; I22-F25 VanDerWaalsContact O-N 3.16Å; I22-I26 HydrophobicContact CG2-CG1 4.5Å; I22-I26 PolarHBondContact O-N 3.1Å; I22-M51 HydrophobicContact CD1-CE 4.34Å; I22-E55 HydrophobicContact CD1-CB 3.79Å; I22-E55 HydrophobicContact CD1-CG 4.19Å; I22-T58 HydrophobicContact CB-CG2 3.98Å; I22-T58 HydrophobicContact CD1-CG2 4.25Å; I22-T58 HydrophobicContact CG2-CG2 3.91Å; I22-L59 HydrophobicContact CG2-CB 4.09Å; I22-L59 HydrophobicContact CG2-CD1 4.17Å
23K97.1Very high96.5Very high94 Ų9461.5 Ų61.541%0.40932%0.315SS..Hα-helixtrans-56.9-48.4174.2177.4170.4176.6174.20111.2D19 F25 I26 E27 E62D19-K23 WeakPolarHBondContact O-CB 3.39Å; D19-K23 PolarHBondContact O-N 2.8Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.26Å; K23-I26 PolarHBondContact O-N 3.27Å; K23-E27 WeakPolarHBondContact CE-OE1 3.5Å; K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 IonicContact NZ-OE1 3.65Å; K23-E27 WeakPolarHBondContact O-CB 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.39Å; K23-E27 PolarHBondContact O-N 2.91Å; K23-E62 HydrophobicContact CB-CG 4.06Å; K23-E62 WeakPolarHBondContact CG-OE2 3.49Å
24F97.1Very high96.3Very high49 Ų4957.2 Ų57.222%0.21529%0.292CS..Hα-helixtrans-60.9-38.6176.4175.7-94000112.6I4 L7 E20 I22 S28I4-F24 HydrophobicContact CG1-CE1 3.95Å; I4-F24 HydrophobicContact CG1-CZ 4.33Å; L7-F24 HydrophobicContact CD1-CD1 3.3Å; L7-F24 HydrophobicContact CD1-CE1 3.56Å; E20-F24 VanDerWaalsContact O-CB 3.3Å; E20-F24 WeakPolarHBondContact O-CB 3.44Å; E20-F24 PolarHBondContact O-N 3.22Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.91Å; F24-S28 VanDerWaalsContact O-CB 3.22Å; F24-S28 WeakPolarHBondContact O-CB 3.36Å; F24-S28 PolarHBondContact O-N 3Å; F24-S28 PolarHBondContact O-OG 2.94Å
25F97.6Very high96.3Very high4 Ų460.8 Ų60.82%0.01830%0.296CS..Hα-helixtrans-59.9-52.3173.8165.4-126.2000111.4E21 I22 K23 S28 V29 M34 M42 L59 L166E21-F25 WeakPolarHBondContact O-CB 3.42Å; E21-F25 PolarHBondContact O-N 3.43Å; I22-F25 WeakPolarHBondContact O-CB 3.49Å; I22-F25 PolarHBondContact O-N 3.09Å; I22-F25 VanDerWaalsContact O-N 3.16Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.26Å; F25-S28 PolarHBondContact O-N 3.09Å; F25-V29 HydrophobicContact CD2-CG2 4Å; F25-V29 HydrophobicContact CE2-CG2 3.58Å; F25-V29 HydrophobicContact CZ-CG2 4.15Å; F25-V29 WeakPolarHBondContact O-CG2 3.47Å; F25-V29 PolarHBondContact O-N 3.33Å; F25-M34 HydrophobicContact CD2-CE 4Å; F25-M34 HydrophobicContact CD2-SD 3.7Å; F25-M34 HydrophobicContact CE2-CE 3.82Å; F25-M34 HydrophobicContact CE2-SD 3.83Å; F25-M42 HydrophobicContact CD2-CG 4.25Å; F25-M42 HydrophobicContact CE1-CG 4.23Å; F25-M42 HydrophobicContact CE2-CB 4.16Å; F25-M42 HydrophobicContact CE2-CG 3.76Å; F25-M42 HydrophobicContact CZ-CB 4.4Å; F25-M42 HydrophobicContact CZ-CG 3.75Å; F25-L59 HydrophobicContact CD1-CD1 4.24Å; F25-L59 HydrophobicContact CE1-CD1 4.05Å; F25-L166 HydrophobicContact CZ-CD2 3.93Å
26I97.5Very high96.2Very high3 Ų364.7 Ų64.72%0.01531%0.311CS..Hα-helixtrans-65.5-42-179-65.7-54.6000112.2I22 K23 S28 V29 T30 L59 E62 M63 A162 L166I22-I26 HydrophobicContact CG2-CG1 4.5Å; I22-I26 PolarHBondContact O-N 3.1Å; K23-I26 PolarHBondContact O-N 3.27Å; I26-S28 VanDerWaalsContact C-N 3.3Å; I26-S28 PolarHBondContact O-N 3.1Å; I26-V29 PolarHBondContact O-N 2.86Å; I26-T30 WeakPolarHBondContact O-CB 3.35Å; I26-T30 PolarHBondContact O-N 2.98Å; I26-T30 PolarHBondContact O-OG1 3.48Å; I26-L59 HydrophobicContact CD1-CD1 3.74Å; I26-L59 HydrophobicContact CG1-CD1 4.19Å; I26-E62 HydrophobicContact CB-CB 4.06Å; I26-E62 HydrophobicContact CG1-CB 3.99Å; I26-E62 HydrophobicContact CG2-CB 4.16Å; I26-E62 WeakPolarHBondContact CG2-O 3.36Å; I26-M63 HydrophobicContact CD1-CG 3.6Å; I26-M63 HydrophobicContact CD1-SD 4.42Å; I26-M63 HydrophobicContact CG1-CG 4.21Å; I26-A162 HydrophobicContact CG2-CB 3.75Å; I26-L166 HydrophobicContact CD1-CD1 3.98Å
27E95.5Very high96.2Very high92 Ų9263.8 Ų63.843%0.4332%0.316SS..Hα-helixtrans-60-41.4173.8-74.6176.717200111.4K23 V29 T30 T31K23-E27 WeakPolarHBondContact CE-OE1 3.5Å; K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 IonicContact NZ-OE1 3.65Å; K23-E27 WeakPolarHBondContact O-CB 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.39Å; K23-E27 PolarHBondContact O-N 2.91Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3.29Å; E27-T30 PolarHBondContact O-N 3.36Å; E27-T31 WeakPolarHBondContact O-CB 3.38Å; E27-T31 WeakPolarHBondContact O-CG2 3.41Å; E27-T31 PolarHBondContact O-N 3.35Å; E27-T31 PolarHBondContact O-OG1 2.87Å
28S96.1Very high96.2Very high3 Ų365.5 Ų65.52%0.02132%0.324CS..Hα-helixtrans-67.4-32.9179.4-63.40000112.8F24 F25 I26 K32 R33 M34F24-S28 VanDerWaalsContact O-CB 3.22Å; F24-S28 WeakPolarHBondContact O-CB 3.36Å; F24-S28 PolarHBondContact O-N 3Å; F24-S28 PolarHBondContact O-OG 2.94Å; F25-S28 PolarHBondContact O-N 3.09Å; I26-S28 VanDerWaalsContact C-N 3.3Å; I26-S28 PolarHBondContact O-N 3.1Å; S28-K32 PolarHBondContact O-N 2.96Å; S28-R33 PolarHBondContact O-N 3Å; S28-M34 PolarHBondContact O-N 3.02Å; S28-M34 VanDerWaalsContact O-N 3.09Å
29V95.5Very high96.2Very high3 Ų362.9 Ų62.92%0.01831%0.307CS..Hα-helixtrans-68.3-51.2171.9171.70000110.1F25 I26 E27 T31 K32 M34 I39 V165 L166F25-V29 HydrophobicContact CD2-CG2 4Å; F25-V29 HydrophobicContact CE2-CG2 3.58Å; F25-V29 HydrophobicContact CZ-CG2 4.15Å; F25-V29 WeakPolarHBondContact O-CG2 3.47Å; F25-V29 PolarHBondContact O-N 3.33Å; I26-V29 PolarHBondContact O-N 2.86Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3.29Å; V29-T31 PolarHBondContact O-N 3.43Å; V29-K32 PolarHBondContact O-N 3.37Å; V29-M34 HydrophobicContact CG2-SD 4.26Å; V29-I39 HydrophobicContact CG1-CD1 4.37Å; V29-I39 HydrophobicContact CG2-CD1 4.14Å; V29-I39 HydrophobicContact CG2-CG1 4.17Å; V29-V165 HydrophobicContact CG1-CB 3.82Å; V29-V165 HydrophobicContact CG1-CG1 3.78Å; V29-V165 HydrophobicContact CG1-CG2 4.48Å; V29-L166 HydrophobicContact CG1-CD2 4.07Å; V29-L166 HydrophobicContact CG1-CG 4.23Å; V29-L166 HydrophobicContact CG2-CD2 4.05Å
30T92.6Very high96.2Very high45 Ų4560.3 Ų60.328%0.27630%0.296SS..Hα-helixtrans-62.3-41.2-176.9-550000112.3I26 E27 K32 P161I26-T30 WeakPolarHBondContact O-CB 3.35Å; I26-T30 PolarHBondContact O-N 2.98Å; I26-T30 PolarHBondContact O-OG1 3.48Å; E27-T30 PolarHBondContact O-N 3.36Å; T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 3.43Å; T30-P161 HydrophobicContact CG2-CB 4.39Å; T30-P161 HydrophobicContact CG2-CG 3.89Å
31T92.9Very high96.3Very high99 Ų9955.7 Ų55.761%0.60728%0.282SS*.THydrogen-bonded Turntrans-84.35.4-179.458.60000114E27 V29 R33E27-T31 WeakPolarHBondContact O-CB 3.38Å; E27-T31 WeakPolarHBondContact O-CG2 3.41Å; E27-T31 PolarHBondContact O-N 3.35Å; E27-T31 PolarHBondContact O-OG1 2.87Å; V29-T31 PolarHBondContact O-N 3.43Å; T31-R33 PolarHBondContact O-N 3.36Å; T31-R33 VanDerWaalsContact O-N 3.17Å
32K92.6Very high96.3Very high177 Ų17754.8 Ų54.877%0.7728%0.278SS*.THydrogen-bonded Turntrans5626.1-176.9-54.4-178.3-179.4177.60114S28 V29 T30 M34S28-K32 PolarHBondContact O-N 2.96Å; V29-K32 PolarHBondContact O-N 3.37Å; T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 3.43Å; K32-M34 VanDerWaalsContact C-N 3.35Å
33R94.9Very high96.3Very high157 Ų15754.8 Ų54.859%0.59228%0.278SS*.  trans-73.6-31.4173.7-175-179.9-177.11741.9111.5I4 S28 T31I4-R33 HydrophobicContact CD1-CG 4.43Å; S28-R33 PolarHBondContact O-N 3Å; T31-R33 PolarHBondContact O-N 3.36Å; T31-R33 VanDerWaalsContact O-N 3.17Å
34M95.4Very high96.4Very high9 Ų953.2 Ų53.24%0.04427%0.273CS..SBendtrans-89.8131.8179.5-160.4160.8167.500110.3I4 I8 F25 S28 V29 K32 Q38 I39 M42I4-M34 HydrophobicContact CD1-CB 4.1Å; I4-M34 HydrophobicContact CD1-CG 4.1Å; I4-M34 HydrophobicContact CG2-CE 3.81Å; I4-M34 HydrophobicContact CG2-CG 3.9Å; I4-M34 HydrophobicContact CG2-SD 3.94Å; I8-M34 HydrophobicContact CD1-CE 4.16Å; I8-M34 HydrophobicContact CG1-CE 4.44Å; F25-M34 HydrophobicContact CD2-CE 4Å; F25-M34 HydrophobicContact CD2-SD 3.7Å; F25-M34 HydrophobicContact CE2-CE 3.82Å; F25-M34 HydrophobicContact CE2-SD 3.83Å; S28-M34 PolarHBondContact O-N 3.02Å; S28-M34 VanDerWaalsContact O-N 3.09Å; V29-M34 HydrophobicContact CG2-SD 4.26Å; K32-M34 VanDerWaalsContact C-N 3.35Å; M34-Q38 HydrophobicContact CE-CB 3.83Å; M34-Q38 WeakPolarHBondContact CE-O 2.87Å; M34-Q38 HydrophobicContact CG-CB 3.68Å; M34-I39 HydrophobicContact CB-CD1 4.38Å; M34-I39 HydrophobicContact CB-CG1 4.03Å; M34-I39 HydrophobicContact CE-CG1 4.23Å; M34-I39 HydrophobicContact CG-CG1 3.68Å; M34-I39 HydrophobicContact SD-CG1 4.07Å; M34-M42 HydrophobicContact CE-CB 3.94Å
35Q96.5Very high96.4Very high123 Ų12351.2 Ų51.258%0.57527%0.265SS*.  trans-75.8150.2176.6-63.1176.6-10.900110.7C37 Q38 I39Q35-C37 PolarHBondContact O-N 3.47Å; Q35-C37 VanDerWaalsContact O-N 3.11Å; Q35-Q38 HydrophobicContact CB-CG 4.25Å; Q35-Q38 WeakPolarHBondContact O-CA 3.42Å; Q35-Q38 WeakPolarHBondContact O-CB 3.36Å; Q35-Q38 PolarHBondContact O-N 3.32Å; Q35-I39 PolarHBondContact O-N 2.76Å
36D95.4Very high96.5Very high106 Ų10651.1 Ų51.157%0.56727%0.265SS*.Hα-helixtrans-53.3-37.2179.7-67.9-3.6000113Q38 I39 G40 L169D36-Q38 VanDerWaalsContact C-N 3.32Å; D36-Q38 PolarHBondContact O-N 2.88Å; D36-I39 PolarHBondContact O-N 3.4Å; D36-G40 PolarHBondContact O-N 3.03Å; D36-L169 HydrophobicContact CB-CD1 4.38Å; D36-L169 HydrophobicContact CB-CD2 4.12Å
37C96.8Very high96.5Very high87 Ų8756 Ų5659%0.58828%0.283SS*.Hα-helixtrans-64.6-34.9176.162.70000112.9Q35 A41Q35-C37 PolarHBondContact O-N 3.47Å; Q35-C37 VanDerWaalsContact O-N 3.11Å; C37-A41 WeakPolarHBondContact O-CB 3.24Å; C37-A41 PolarHBondContact O-N 3.46Å
38Q98Very high96.5Very high42 Ų4257.2 Ų57.220%0.19629%0.289CS..Hα-helixtrans-72.6-39.6176-64.2174.3-37.200110.4I4 I8 M34 Q35 D36 A41 M42I4-Q38 HydrophobicContact CG2-CB 4.02Å; I4-Q38 HydrophobicContact CG2-CG 4.25Å; I8-Q38 HydrophobicContact CD1-CB 3.97Å; I8-Q38 HydrophobicContact CD1-CG 4.49Å; I8-Q38 WeakPolarHBondContact CD1-O 3.36Å; M34-Q38 HydrophobicContact CE-CB 3.83Å; M34-Q38 WeakPolarHBondContact CE-O 2.87Å; M34-Q38 HydrophobicContact CG-CB 3.68Å; Q35-Q38 HydrophobicContact CB-CG 4.25Å; Q35-Q38 WeakPolarHBondContact O-CA 3.42Å; Q35-Q38 WeakPolarHBondContact O-CB 3.36Å; Q35-Q38 PolarHBondContact O-N 3.32Å; D36-Q38 VanDerWaalsContact C-N 3.32Å; D36-Q38 PolarHBondContact O-N 2.88Å; Q38-A41 PolarHBondContact O-N 3.29Å; Q38-M42 PolarHBondContact O-N 3.17Å
39I98Very high96.6Very high3 Ų364 Ų642%0.01531%0.314CS..Hα-helixtrans-63.2-49.5175.7-57.2173.4000109.6V29 M34 Q35 D36 A41 M42 L43 V165 L166 L169V29-I39 HydrophobicContact CG1-CD1 4.37Å; V29-I39 HydrophobicContact CG2-CD1 4.14Å; V29-I39 HydrophobicContact CG2-CG1 4.17Å; M34-I39 HydrophobicContact CB-CD1 4.38Å; M34-I39 HydrophobicContact CB-CG1 4.03Å; M34-I39 HydrophobicContact CE-CG1 4.23Å; M34-I39 HydrophobicContact CG-CG1 3.68Å; M34-I39 HydrophobicContact SD-CG1 4.07Å; Q35-I39 PolarHBondContact O-N 2.76Å; D36-I39 PolarHBondContact O-N 3.4Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 3.48Å; I39-M42 PolarHBondContact O-N 3.35Å; I39-M42 VanDerWaalsContact O-N 3.13Å; I39-L43 HydrophobicContact CG2-CD1 3.98Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.38Å; I39-L43 PolarHBondContact O-N 3.06Å; I39-V165 HydrophobicContact CD1-CG1 3.98Å; I39-L166 HydrophobicContact CG2-CD2 3.56Å; I39-L169 HydrophobicContact CB-CD1 3.65Å; I39-L169 HydrophobicContact CD1-CD1 3.78Å; I39-L169 HydrophobicContact CG1-CD1 4.3Å; I39-L169 HydrophobicContact CG2-CD1 3.49Å; I39-L169 VanDerWaalsContact CG2-CD1 3.49Å
40G97.6Very high96.7Very high12 Ų1265 Ų6512%0.12432%0.324CS..Hα-helixtrans-55.9-41.9174.500000112.8D36 L43 M44D36-G40 PolarHBondContact O-N 3.03Å; G40-L43 PolarHBondContact O-N 2.83Å; G40-M44 WeakPolarHBondContact O-CB 3.31Å; G40-M44 PolarHBondContact O-N 2.94Å
41A98.4Very high96.9Very high42 Ų4263.9 Ų63.935%0.34732%0.316SS..Hα-helixtrans-64.4-41.317600000112.9I8 C37 Q38 I39 A45I8-A41 HydrophobicContact CD1-CB 4.31Å; I8-A41 HydrophobicContact CG2-CB 4.09Å; C37-A41 WeakPolarHBondContact O-CB 3.24Å; C37-A41 PolarHBondContact O-N 3.46Å; Q38-A41 PolarHBondContact O-N 3.29Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 3.48Å; A41-A45 WeakPolarHBondContact O-CB 3.31Å; A41-A45 PolarHBondContact O-N 2.84Å
42M98.4Very high97Very high1 Ų164.9 Ų64.91%0.00531%0.314CS..Hα-helixtrans-65.5-45.2174.6-177.959.785.900111.6L7 I8 K11 F25 M34 Q38 I39 M44 A45 I46L7-M42 HydrophobicContact CB-CE 3.81Å; I8-M42 HydrophobicContact CG1-CB 4.14Å; I8-M42 HydrophobicContact CG1-CE 3.91Å; K11-M42 HydrophobicContact CB-SD 3.96Å; K11-M42 HydrophobicContact CG-SD 4.25Å; F25-M42 HydrophobicContact CD2-CG 4.25Å; F25-M42 HydrophobicContact CE1-CG 4.23Å; F25-M42 HydrophobicContact CE2-CB 4.16Å; F25-M42 HydrophobicContact CE2-CG 3.76Å; F25-M42 HydrophobicContact CZ-CB 4.4Å; F25-M42 HydrophobicContact CZ-CG 3.75Å; M34-M42 HydrophobicContact CE-CB 3.94Å; Q38-M42 PolarHBondContact O-N 3.17Å; I39-M42 PolarHBondContact O-N 3.35Å; I39-M42 VanDerWaalsContact O-N 3.13Å; M42-M44 VanDerWaalsContact C-N 3.32Å; M42-M44 PolarHBondContact O-N 3.49Å; M42-A45 WeakPolarHBondContact O-CB 3.47Å; M42-A45 PolarHBondContact O-N 2.81Å; M42-A45 VanDerWaalsContact O-N 3.16Å; M42-I46 HydrophobicContact CG-CD1 3.97Å; M42-I46 WeakPolarHBondContact O-CG1 3.46Å; M42-I46 PolarHBondContact O-N 2.88Å; M42-I46 HydrophobicContact SD-CD1 4.28Å; M42-I46 HydrophobicContact SD-CG1 4.37Å
43L98.4Very high97.1Very high0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-58.3-45177.6-70.7173.6000111.2I39 G40 I46 W47 L166 L169 R170 T175 L181I39-L43 HydrophobicContact CG2-CD1 3.98Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.38Å; I39-L43 PolarHBondContact O-N 3.06Å; G40-L43 PolarHBondContact O-N 2.83Å; L43-I46 PolarHBondContact O-N 3.46Å; L43-W47 WeakPolarHBondContact O-CB 3.44Å; L43-W47 PolarHBondContact O-N 3.19Å; L43-L166 HydrophobicContact CD2-CD2 4.24Å; L43-L169 HydrophobicContact CD1-CB 3.87Å; L43-R170 HydrophobicContact CD1-CG 3.95Å; L43-R170 HydrophobicContact CD2-CG 3.89Å; L43-R170 HydrophobicContact CG-CG 4.49Å; L43-T175 HydrophobicContact CB-CG2 4.26Å; L43-L181 HydrophobicContact CD2-CD1 3.71Å; L43-L181 HydrophobicContact CD2-CD2 3.86Å; L43-L181 HydrophobicContact CD2-CG 4.45Å
44M98.5Very high97.1Very high61 Ų6152.5 Ų52.530%0.328%0.279SS..Hα-helixtrans-65.7-38.2176.4-176.25564.600112.1G40 M42 W47 Q48 T175G40-M44 WeakPolarHBondContact O-CB 3.31Å; G40-M44 PolarHBondContact O-N 2.94Å; M42-M44 VanDerWaalsContact C-N 3.32Å; M42-M44 PolarHBondContact O-N 3.49Å; M44-W47 PolarHBondContact O-N 3.18Å; M44-W47 HydrophobicContact SD-CD2 4.46Å; M44-W47 HydrophobicContact SD-CE3 3.84Å; M44-W47 HydrophobicContact SD-CZ3 4.45Å; M44-Q48 WeakPolarHBondContact O-CG 3.49Å; M44-Q48 PolarHBondContact O-N 3.19Å; M44-Q48 HydrophobicContact SD-CG 4.14Å; M44-T175 HydrophobicContact CB-CG2 4.42Å; M44-T175 HydrophobicContact CE-CG2 3.66Å; M44-T175 HydrophobicContact SD-CG2 4.42Å
45A98.4Very high97.2Very high7 Ų752.2 Ų52.26%0.05828%0.277CS..Hα-helixtrans-62.5-43.5174.200000112K11 R12 A41 M42 Q48 R49K11-A45 HydrophobicContact CB-CB 4.25Å; K11-A45 HydrophobicContact CG-CB 4.2Å; R12-A45 HydrophobicContact CB-CB 4.24Å; A41-A45 WeakPolarHBondContact O-CB 3.31Å; A41-A45 PolarHBondContact O-N 2.84Å; M42-A45 WeakPolarHBondContact O-CB 3.47Å; M42-A45 PolarHBondContact O-N 2.81Å; M42-A45 VanDerWaalsContact O-N 3.16Å; A45-Q48 PolarHBondContact O-N 2.89Å; A45-R49 WeakPolarHBondContact O-CB 3.38Å; A45-R49 WeakPolarHBondContact O-CG 3.49Å; A45-R49 PolarHBondContact O-N 3.27Å
46I98.4Very high97.2Very high1 Ų146.7 Ų46.71%0.00525%0.252CS..Hα-helixtrans-64.7-41.6174.6-68.3166.9000111K11 M42 L43 Q48 G50 M51 P180 L181K11-I46 HydrophobicContact CG-CG1 4.05Å; M42-I46 HydrophobicContact CG-CD1 3.97Å; M42-I46 WeakPolarHBondContact O-CG1 3.46Å; M42-I46 PolarHBondContact O-N 2.88Å; M42-I46 HydrophobicContact SD-CD1 4.28Å; M42-I46 HydrophobicContact SD-CG1 4.37Å; L43-I46 PolarHBondContact O-N 3.46Å; I46-Q48 PolarHBondContact O-N 2.91Å; I46-G50 VanDerWaalsContact O-CA 3.24Å; I46-G50 WeakPolarHBondContact O-CA 3.5Å; I46-G50 PolarHBondContact O-N 3.09Å; I46-M51 HydrophobicContact CD1-SD 3.96Å; I46-M51 HydrophobicContact CG1-CG 4.39Å; I46-M51 HydrophobicContact CG1-SD 4.05Å; I46-M51 HydrophobicContact CG2-CG 3.93Å; I46-M51 HydrophobicContact CG2-SD 3.69Å; I46-P180 HydrophobicContact CG2-CB 4.47Å; I46-P180 HydrophobicContact CG2-CG 3.78Å; I46-L181 HydrophobicContact CB-CD2 4.44Å; I46-L181 HydrophobicContact CD1-CD2 4.06Å; I46-L181 HydrophobicContact CG2-CD1 4.16Å; I46-L181 HydrophobicContact CG2-CD2 3.83Å; I46-L181 HydrophobicContact CG2-CG 3.73Å
47W97.3Very high97.2Very high106 Ų10646.7 Ų46.740%0.40224%0.244SC..Hα-helixtrans-60.9-43.9177.3-177.497.5000111.6L43 M44 T175 D177L43-W47 WeakPolarHBondContact O-CB 3.44Å; L43-W47 PolarHBondContact O-N 3.19Å; M44-W47 PolarHBondContact O-N 3.18Å; M44-W47 HydrophobicContact SD-CD2 4.46Å; M44-W47 HydrophobicContact SD-CE3 3.84Å; M44-W47 HydrophobicContact SD-CZ3 4.45Å; W47-T175 HydrophobicContact CB-CG2 4.07Å; W47-T175 HydrophobicContact CG-CG2 4.33Å; W47-D177 PolarHBondContact NE1-OD1 2.63Å
48Q97.4Very high97.2Very high118 Ų11842.7 Ų42.755%0.55122%0.217SC*.Hα-helixtrans-76.2-32.7-179.9-69.1-17128.200114.4M44 A45 I46M44-Q48 WeakPolarHBondContact O-CG 3.49Å; M44-Q48 PolarHBondContact O-N 3.19Å; M44-Q48 HydrophobicContact SD-CG 4.14Å; A45-Q48 PolarHBondContact O-N 2.89Å; I46-Q48 PolarHBondContact O-N 2.91Å
49R97.8Very high97.2Very high144 Ų14440.8 Ų40.854%0.54321%0.208SC..Hα-helixtrans-107.3-9.3-172.1-59.5-57.4-170.7-167.7-1.1114.3K11 R12 A45K11-R49 WeakPolarHBondContact O-CG 3.49Å; R12-R49 PolarHBondContact O-NE 2.92Å; R12-R49 PolarHBondContact O-NH2 3.35Å; A45-R49 WeakPolarHBondContact O-CB 3.38Å; A45-R49 WeakPolarHBondContact O-CG 3.49Å; A45-R49 PolarHBondContact O-N 3.27Å
50G96.5Very high97.2Very high24 Ų2440.6 Ų40.625%0.24721%0.207CC..  trans65.3-169.5-172.400000112.5K11 I46K11-G50 WeakPolarHBondContact CE-O 3.46Å; K11-G50 PolarHBondContact NZ-O 3.44Å; I46-G50 VanDerWaalsContact O-CA 3.24Å; I46-G50 WeakPolarHBondContact O-CA 3.5Å; I46-G50 PolarHBondContact O-N 3.09Å
51M97.4Very high97.1Very high22 Ų2244.3 Ų44.311%0.10822%0.217CC..  trans-141.6145.7172.2-74.4173.582.100108.7I22 I46 E55 I56 L59 P180I22-M51 HydrophobicContact CD1-CE 4.34Å; I46-M51 HydrophobicContact CD1-SD 3.96Å; I46-M51 HydrophobicContact CG1-CG 4.39Å; I46-M51 HydrophobicContact CG1-SD 4.05Å; I46-M51 HydrophobicContact CG2-CG 3.93Å; I46-M51 HydrophobicContact CG2-SD 3.69Å; M51-E55 VanDerWaalsContact CA-OE2 3.29Å; M51-E55 WeakPolarHBondContact CA-OE2 3.32Å; M51-E55 HydrophobicContact CB-CB 4.01Å; M51-E55 HydrophobicContact CE-CB 3.49Å; M51-E55 VanDerWaalsContact CE-CB 3.49Å; M51-E55 HydrophobicContact CG-CB 4.36Å; M51-I56 HydrophobicContact CB-CD1 4.2Å; M51-I56 HydrophobicContact CB-CG1 3.64Å; M51-L59 HydrophobicContact CE-CB 3.96Å; M51-L59 HydrophobicContact CE-CD1 4.48Å; M51-L59 HydrophobicContact CE-CD2 4.01Å; M51-L59 HydrophobicContact CE-CG 4.37Å; M51-L59 HydrophobicContact SD-CD2 3.89Å; M51-P180 HydrophobicContact CB-CB 3.77Å; M51-P180 HydrophobicContact CB-CG 4.22Å; M51-P180 HydrophobicContact CG-CB 4.13Å; M51-P180 HydrophobicContact CG-CG 4.37Å; M51-P180 HydrophobicContact SD-CB 4.02Å
52E95.8Very high97.1Very high120 Ų12043.6 Ų43.656%0.56121%0.207SC*.  trans-71.2154.3172-65.1-58.6148.900110.5Q16 A54 E55 I56Q16-E52 HydrophobicContact CG-CG 4.27Å; E52-A54 PolarHBondContact O-N 3.37Å; E52-E55 HydrophobicContact CB-CG 4.28Å; E52-E55 PolarHBondContact N-OE2 2.95Å; E52-E55 WeakPolarHBondContact O-CA 3.23Å; E52-E55 WeakPolarHBondContact O-CB 3.38Å; E52-E55 PolarHBondContact O-N 3.44Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.45Å
53A93.3Very high96.9Very high41 Ų4143.7 Ų43.734%0.33921%0.207SC..Hα-helixtrans-54.4-35-177.200000113.4I56 R57A53-I56 PolarHBondContact O-N 3.32Å; A53-R57 WeakPolarHBondContact O-CG 3.41Å; A53-R57 PolarHBondContact O-N 2.96Å; A53-R57 PolarHBondContact O-NH1 2.65Å
54A94.6Very high96.7Very high34 Ų3445 Ų4528%0.28121%0.214SC..Hα-helixtrans-65.2-43174.600000112.6E52 I56 R57 T58E52-A54 PolarHBondContact O-N 3.37Å; A54-I56 VanDerWaalsContact C-N 3.31Å; A54-I56 PolarHBondContact O-N 3.43Å; A54-R57 PolarHBondContact O-N 2.86Å; A54-T58 PolarHBondContact O-N 2.91Å; A54-T58 VanDerWaalsContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 2.8Å
55E97.7Very high96.5Very high3 Ų345.7 Ų45.71%0.01422%0.221CC..Hα-helixtrans-63.7-40.1176.7-60.8178.695.700110.6K11 Q16 L17 I22 M51 E52 T58 L59K11-E55 VanDerWaalsContact NZ-CD 3.32Å; K11-E55 IonicContact NZ-OE1 3.09Å; K11-E55 PolarHBondContact NZ-OE1 3.43Å; K11-E55 IonicContact NZ-OE2 3.2Å; K11-E55 PolarHBondContact NZ-OE2 3.43Å; Q16-E55 HydrophobicContact CG-CG 3.65Å; L17-E55 WeakPolarHBondContact CB-OE1 3.27Å; L17-E55 PolarHBondContact N-OE1 2.82Å; I22-E55 HydrophobicContact CD1-CB 3.79Å; I22-E55 HydrophobicContact CD1-CG 4.19Å; M51-E55 VanDerWaalsContact CA-OE2 3.29Å; M51-E55 WeakPolarHBondContact CA-OE2 3.32Å; M51-E55 HydrophobicContact CB-CB 4.01Å; M51-E55 HydrophobicContact CE-CB 3.49Å; M51-E55 VanDerWaalsContact CE-CB 3.49Å; M51-E55 HydrophobicContact CG-CB 4.36Å; E52-E55 HydrophobicContact CB-CG 4.28Å; E52-E55 PolarHBondContact N-OE2 2.95Å; E52-E55 WeakPolarHBondContact O-CA 3.23Å; E52-E55 WeakPolarHBondContact O-CB 3.38Å; E52-E55 PolarHBondContact O-N 3.44Å; E55-T58 PolarHBondContact O-N 2.89Å; E55-L59 VanDerWaalsContact O-CB 3.24Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 3.22Å
56I97.2Very high96.2Very high6 Ų646.5 Ų46.53%0.03123%0.226CC..Hα-helixtrans-66.2-43.7-179.4-59.6174.9000110.9M51 E52 A53 A54 T58 L59 T60 P180 T183 L222M51-I56 HydrophobicContact CB-CD1 4.2Å; M51-I56 HydrophobicContact CB-CG1 3.64Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.45Å; A53-I56 PolarHBondContact O-N 3.32Å; A54-I56 VanDerWaalsContact C-N 3.31Å; A54-I56 PolarHBondContact O-N 3.43Å; I56-T58 VanDerWaalsContact C-N 3.34Å; I56-T58 PolarHBondContact O-N 2.77Å; I56-L59 PolarHBondContact O-N 2.92Å; I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 PolarHBondContact O-N 3.47Å; I56-T60 PolarHBondContact O-OG1 2.93Å; I56-P180 HydrophobicContact CD1-CB 3.65Å; I56-P180 HydrophobicContact CG1-CB 3.7Å; I56-T183 HydrophobicContact CG2-CG2 3.75Å; I56-L222 HydrophobicContact CD1-CD1 4.29Å; I56-L222 HydrophobicContact CD1-CD2 3.57Å; I56-L222 HydrophobicContact CG2-CD2 4.38Å
57R95.9Very high95.7Very high106 Ų10647.8 Ų47.840%0.424%0.24SC..Hα-helixtrans-58.5-47175.1-73.9-170.6-58.2-90.74.3111.3A53 A54 T60 R61A53-R57 WeakPolarHBondContact O-CG 3.41Å; A53-R57 PolarHBondContact O-N 2.96Å; A53-R57 PolarHBondContact O-NH1 2.65Å; A54-R57 PolarHBondContact O-N 2.86Å; R57-T60 PolarHBondContact O-N 2.93Å; R57-R61 WeakPolarHBondContact O-CB 3.14Å; R57-R61 PolarHBondContact O-N 3.45Å
58T97.3Very high95.2Very high4 Ų447 Ų473%0.02524%0.241CC..Hα-helixtrans-67.7-44.5179.3-60.10000111.5D19 I22 A54 E55 I56 T60 R61 E62D19-T58 HydrophobicContact CB-CG2 4.08Å; D19-T58 WeakPolarHBondContact OD1-CB 3.47Å; D19-T58 PolarHBondContact OD1-OG1 3.31Å; D19-T58 PolarHBondContact OD2-OG1 3.43Å; I22-T58 HydrophobicContact CB-CG2 3.98Å; I22-T58 HydrophobicContact CD1-CG2 4.25Å; I22-T58 HydrophobicContact CG2-CG2 3.91Å; A54-T58 PolarHBondContact O-N 2.91Å; A54-T58 VanDerWaalsContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 2.8Å; E55-T58 PolarHBondContact O-N 2.89Å; I56-T58 VanDerWaalsContact C-N 3.34Å; I56-T58 PolarHBondContact O-N 2.77Å; T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.45Å; T58-R61 PolarHBondContact O-N 3.4Å; T58-R61 PolarHBondContact OG1-NH2 2.86Å; T58-E62 HydrophobicContact CG2-CG 3.91Å; T58-E62 WeakPolarHBondContact O-CB 3.33Å; T58-E62 VanDerWaalsContact O-CG 3.3Å; T58-E62 WeakPolarHBondContact O-CG 3.24Å; T58-E62 PolarHBondContact O-N 3.46Å
59L97.9Very high94.9Very high1 Ų143.7 Ų43.71%0.00523%0.229CC..Hα-helixtrans-53.9-48.8174.9-178.775.1000110.9I22 F25 I26 M51 E55 I56 M63 L181I22-L59 HydrophobicContact CG2-CB 4.09Å; I22-L59 HydrophobicContact CG2-CD1 4.17Å; F25-L59 HydrophobicContact CD1-CD1 4.24Å; F25-L59 HydrophobicContact CE1-CD1 4.05Å; I26-L59 HydrophobicContact CD1-CD1 3.74Å; I26-L59 HydrophobicContact CG1-CD1 4.19Å; M51-L59 HydrophobicContact CE-CB 3.96Å; M51-L59 HydrophobicContact CE-CD1 4.48Å; M51-L59 HydrophobicContact CE-CD2 4.01Å; M51-L59 HydrophobicContact CE-CG 4.37Å; M51-L59 HydrophobicContact SD-CD2 3.89Å; E55-L59 VanDerWaalsContact O-CB 3.24Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 3.22Å; I56-L59 PolarHBondContact O-N 2.92Å; L59-M63 HydrophobicContact CD1-SD 4.21Å; L59-M63 HydrophobicContact CD2-SD 4.36Å; L59-M63 HydrophobicContact CG-SD 3.85Å; L59-M63 WeakPolarHBondContact O-CB 3.3Å; L59-M63 WeakPolarHBondContact O-CG 3.37Å; L59-M63 PolarHBondContact O-N 3.38Å; L59-L181 HydrophobicContact CD2-CD2 4.4Å
60T96.9Very high94.5Very high0 Ų037.4 Ų37.40%021%0.205CC..Hα-helixtrans-62.8-46.7-179.7-51.70000111.7I56 R57 T58 M63 M64 G184 I187 S188 T226 L230I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 PolarHBondContact O-N 3.47Å; I56-T60 PolarHBondContact O-OG1 2.93Å; R57-T60 PolarHBondContact O-N 2.93Å; T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.45Å; T60-M63 PolarHBondContact O-N 2.89Å; T60-M64 WeakPolarHBondContact O-CB 3.33Å; T60-M64 PolarHBondContact O-N 3.38Å; T60-G184 WeakPolarHBondContact OG1-CA 3.3Å; T60-I187 HydrophobicContact CG2-CB 3.64Å; T60-I187 HydrophobicContact CG2-CG2 3.61Å; T60-S188 WeakPolarHBondContact O-CB 3.39Å; T60-T226 HydrophobicContact CG2-CG2 3.84Å; T60-T226 WeakPolarHBondContact OG1-CG2 3.41Å; T60-L230 HydrophobicContact CG2-CD1 3.95Å
61R96.4Very high94.2Very high90 Ų9044.9 Ų44.934%0.3423%0.231SC..Hα-helixtrans-61.8-49.5179179.8-176.765.3-139.10.7111.4D19 R57 T58 M63 M64 V65 L230D19-R61 IonicContact OD2-NH2 2.82Å; D19-R61 PolarHBondContact OD2-NH2 2.82Å; D19-R61 VanDerWaalsContact OD2-NH2 3.09Å; R57-R61 WeakPolarHBondContact O-CB 3.14Å; R57-R61 PolarHBondContact O-N 3.45Å; T58-R61 PolarHBondContact O-N 3.4Å; T58-R61 PolarHBondContact OG1-NH2 2.86Å; R61-M63 VanDerWaalsContact C-N 3.33Å; R61-M63 PolarHBondContact O-N 3.32Å; R61-M64 WeakPolarHBondContact O-CB 3.38Å; R61-M64 PolarHBondContact O-N 2.94Å; R61-M64 VanDerWaalsContact O-N 3.16Å; R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 2.77Å; R61-L230 HydrophobicContact CB-CD2 4.23Å
62E97.1Very high94.1Very high26 Ų2645.6 Ų45.612%0.12123%0.233CC..Hα-helixtrans-67-35.8-178.9-60.4-50.7130.700111.3K23 I26 T58 S66K23-E62 HydrophobicContact CB-CG 4.06Å; K23-E62 WeakPolarHBondContact CG-OE2 3.49Å; I26-E62 HydrophobicContact CB-CB 4.06Å; I26-E62 HydrophobicContact CG1-CB 3.99Å; I26-E62 HydrophobicContact CG2-CB 4.16Å; I26-E62 WeakPolarHBondContact CG2-O 3.36Å; T58-E62 HydrophobicContact CG2-CG 3.91Å; T58-E62 WeakPolarHBondContact O-CB 3.33Å; T58-E62 VanDerWaalsContact O-CG 3.3Å; T58-E62 WeakPolarHBondContact O-CG 3.24Å; T58-E62 PolarHBondContact O-N 3.46Å; E62-S66 PolarHBondContact O-N 2.86Å; E62-S66 VanDerWaalsContact O-N 3.09Å
63M95.3Very high94Very high4 Ų442.4 Ų42.42%0.0222%0.222CC..Hα-helixtrans-62.3-45.1170.2-73.6173.167.600111.4I26 L59 T60 R61 V65 S66 V160 A162 D163 L166I26-M63 HydrophobicContact CD1-CG 3.6Å; I26-M63 HydrophobicContact CD1-SD 4.42Å; I26-M63 HydrophobicContact CG1-CG 4.21Å; L59-M63 HydrophobicContact CD1-SD 4.21Å; L59-M63 HydrophobicContact CD2-SD 4.36Å; L59-M63 HydrophobicContact CG-SD 3.85Å; L59-M63 WeakPolarHBondContact O-CB 3.3Å; L59-M63 WeakPolarHBondContact O-CG 3.37Å; L59-M63 PolarHBondContact O-N 3.38Å; T60-M63 PolarHBondContact O-N 2.89Å; R61-M63 VanDerWaalsContact C-N 3.33Å; R61-M63 PolarHBondContact O-N 3.32Å; M63-V65 PolarHBondContact O-N 2.93Å; M63-S66 WeakPolarHBondContact O-CB 2.85Å; M63-S66 PolarHBondContact O-N 3.06Å; M63-S66 PolarHBondContact O-OG 2.91Å; M63-V160 WeakPolarHBondContact O-CG1 3.21Å; M63-A162 HydrophobicContact CG-CB 4.34Å; M63-D163 HydrophobicContact CE-CB 3.54Å; M63-D163 VanDerWaalsContact CE-OD1 3.27Å; M63-D163 WeakPolarHBondContact CE-OD1 3.43Å; M63-L166 HydrophobicContact CE-CD1 4.12Å; M63-L166 HydrophobicContact SD-CD1 4.06Å
64M93.6Very high94Very high28 Ų2847.2 Ų47.214%0.13824%0.242CC..Hα-helixtrans-58.8-46.4179.1-179-172.969.500111.7T60 R61 S66 V69 G191 A192 L230T60-M64 WeakPolarHBondContact O-CB 3.33Å; T60-M64 PolarHBondContact O-N 3.38Å; R61-M64 WeakPolarHBondContact O-CB 3.38Å; R61-M64 PolarHBondContact O-N 2.94Å; R61-M64 VanDerWaalsContact O-N 3.16Å; M64-S66 VanDerWaalsContact C-N 3.29Å; M64-S66 PolarHBondContact O-N 2.8Å; M64-V69 HydrophobicContact CG-CG2 4.3Å; M64-G191 VanDerWaalsContact SD-CA 3.57Å; M64-A192 HydrophobicContact CG-CB 4.4Å; M64-L230 HydrophobicContact SD-CD1 4.07Å
65V94.3Very high94.1Very high74 Ų7450.1 Ų50.145%0.44826%0.26SS..THydrogen-bonded Turntrans-87.37.1-178.3-53.40000113.8R61 M63 G67R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 2.77Å; M63-V65 PolarHBondContact O-N 2.93Å; V65-G67 PolarHBondContact O-N 2.96Å
66S92.1Very high94Very high24 Ų2451.7 Ų51.717%0.16827%0.266CS..THydrogen-bonded Turntrans-68-13.9176.267.90000113.5E62 M63 M64 P161 A162E62-S66 PolarHBondContact O-N 2.86Å; E62-S66 VanDerWaalsContact O-N 3.09Å; M63-S66 WeakPolarHBondContact O-CB 2.85Å; M63-S66 PolarHBondContact O-N 3.06Å; M63-S66 PolarHBondContact O-OG 2.91Å; M64-S66 VanDerWaalsContact C-N 3.29Å; M64-S66 PolarHBondContact O-N 2.8Å; S66-P161 WeakPolarHBondContact O-CG 3.46Å; S66-P161 WeakPolarHBondContact OG-CD 2.89Å; S66-A162 WeakPolarHBondContact OG-CB 3.32Å; S66-A162 PolarHBondContact OG-N 2.96Å
67G88.3Confident93.7Very high29 Ų2958.2 Ų58.230%0.29930%0.295SS..SBendtrans-141.8-153.1175.900000111.8V65 M158V65-G67 PolarHBondContact O-N 2.96Å; G67-M158 CarbonylContact C-O 3.47Å; G67-M158 VanDerWaalsContact CA-O 3.3Å; G67-M158 WeakPolarHBondContact CA-O 3.33Å
68E87.5Confident93.7Very high88 Ų8862.8 Ų62.841%0.41131%0.312SS..  trans-70.5138.3174.7-66.1-171.5170.700111.7M158 L159E68-M158 HydrophobicContact CB-CB 4.49Å; E68-M158 HydrophobicContact CG-CB 4.09Å; E68-M158 PolarHBondContact N-O 3.24Å; E68-M158 WeakPolarHBondContact OE2-CE 3.5Å; E68-L159 HydrophobicContact CB-CD2 4.23Å; E68-L159 WeakPolarHBondContact O-CD2 3.25Å
69V90.1Very high93.7Very high50 Ų5064.8 Ų64.830%0.30332%0.322SS..  trans-110.2125.5168.51760000107.5M64 S194M64-V69 HydrophobicContact CG-CG2 4.3Å; V69-S194 WeakPolarHBondContact CG1-OG 3.16Å
70M89Confident93.7Very high11 Ų1164.7 Ų64.75%0.05432%0.322CS..  trans-63.3143.8-176.1-63.4-174.9-176.200110.9W72 I111 I141 L159 A192 S194M70-W72 HydrophobicContact CB-CH2 4.05Å; M70-W72 HydrophobicContact CB-CZ2 3.51Å; M70-W72 HydrophobicContact CG-CH2 4.3Å; M70-W72 HydrophobicContact CG-CZ2 4.01Å; M70-W72 HydrophobicContact SD-CH2 3.53Å; M70-W72 VanDerWaalsContact SD-CH2 3.53Å; M70-W72 HydrophobicContact SD-CZ2 3.33Å; M70-W72 WeakPolarHBondContact SD-CZ2 3.48Å; M70-I111 HydrophobicContact CE-CD1 3.88Å; M70-I111 HydrophobicContact CE-CG1 4.32Å; M70-I141 HydrophobicContact CE-CD1 3.73Å; M70-L159 HydrophobicContact CE-CD1 3.4Å; M70-L159 VanDerWaalsContact CE-CD1 3.4Å; M70-L159 HydrophobicContact CE-CD2 3.88Å; M70-L159 HydrophobicContact CE-CG 4.31Å; M70-L159 HydrophobicContact CG-CD2 4.21Å; M70-A192 WeakPolarHBondContact CB-O 3.42Å; M70-A192 PolarHBondContact N-O 2.68Å; M70-S194 VanDerWaalsContact O-CB 3.27Å; M70-S194 WeakPolarHBondContact O-CB 3.34Å; M70-S194 PolarHBondContact O-OG 3.44Å
71K90.5Very high93.8Very high182 Ų18264.7 Ų64.779%0.79132%0.322SS*.  trans-124.2130.8177.3-66-177.5-177.6176.80109.8
72W94.4Very high93.8Very high37 Ų3760.4 Ų60.414%0.1431%0.305CS..  trans-114.5154.1-176-50.4116.9000111.3M70 W76 M80 P109 I141 R142 L145 E193M70-W72 HydrophobicContact CB-CH2 4.05Å; M70-W72 HydrophobicContact CB-CZ2 3.51Å; M70-W72 HydrophobicContact CG-CH2 4.3Å; M70-W72 HydrophobicContact CG-CZ2 4.01Å; M70-W72 HydrophobicContact SD-CH2 3.53Å; M70-W72 VanDerWaalsContact SD-CH2 3.53Å; M70-W72 HydrophobicContact SD-CZ2 3.33Å; M70-W72 WeakPolarHBondContact SD-CZ2 3.48Å; W72-W76 HydrophobicContact CB-CB 4.48Å; W72-W76 HydrophobicContact CE3-CE3 4.3Å; W72-W76 HydrophobicContact CE3-CZ3 4.24Å; W72-M80 HydrophobicContact CB-CG 4.48Å; W72-M80 HydrophobicContact CB-SD 4.25Å; W72-M80 HydrophobicContact CD2-CE 3.83Å; W72-M80 HydrophobicContact CD2-SD 4.11Å; W72-M80 VanDerWaalsContact CE2-CE 3.42Å; W72-M80 HydrophobicContact CG-CE 3.96Å; W72-M80 HydrophobicContact CG-CG 4.1Å; W72-M80 HydrophobicContact CG-SD 3.78Å; W72-M80 HydrophobicContact CZ2-CE 3.88Å; W72-P109 HydrophobicContact CH2-CB 4.19Å; W72-P109 HydrophobicContact CZ2-CB 3.78Å; W72-P109 HydrophobicContact CZ2-CG 4.23Å; W72-I141 HydrophobicContact CH2-CG2 3.72Å; W72-I141 HydrophobicContact CZ3-CG2 4.34Å; W72-R142 HydrophobicContact CZ3-CB 4.32Å; W72-L145 HydrophobicContact CE3-CD1 4.35Å; W72-L145 HydrophobicContact CH2-CD1 3.62Å; W72-L145 HydrophobicContact CZ2-CD1 4.2Å; W72-L145 HydrophobicContact CZ3-CD1 3.71Å; W72-E193 PolarHBondContact NE1-O 3.46Å
73P94.5Very high93.8Very high52 Ų5259.4 Ų59.434%0.33830%0.3SS..  trans-55.2143.6167.6-22.133.2000111.2S75 W76P73-S75 PolarHBondContact O-N 3.09Å; P73-S75 VanDerWaalsContact O-N 3.12Å; P73-W76 HydrophobicContact CG-CD2 4.2Å; P73-W76 HydrophobicContact CG-CE3 4.45Å; P73-W76 PolarHBondContact O-N 3.19Å
74D93.9Very high93.9Very high143 Ų14360.8 Ų60.877%0.76531%0.307SS*.G310 helixtrans-57.4-31.9-179-73.4-38.9000113W76 K77D74-W76 PolarHBondContact O-N 3.16Å; D74-K77 WeakPolarHBondContact O-CB 3.11Å; D74-K77 PolarHBondContact O-N 3.49Å; D74-K77 VanDerWaalsContact O-N 3.16Å
75S95.2Very high93.9Very high94 Ų9460.5 Ų60.566%0.65731%0.307SS*.G310 helixtrans-62.5-21.3176.2590000113.7P73P73-S75 PolarHBondContact O-N 3.09Å; P73-S75 VanDerWaalsContact O-N 3.12Å
76W96.2Very high93.7Very high36 Ų3658.5 Ų58.514%0.13630%0.296CS..G310 helixtrans-96.1-15.1178.8-63.25.1000112.6W72 P73 D74 R78 L79 M80 K107 R142 L145 A146W72-W76 HydrophobicContact CB-CB 4.48Å; W72-W76 HydrophobicContact CE3-CE3 4.3Å; W72-W76 HydrophobicContact CE3-CZ3 4.24Å; P73-W76 HydrophobicContact CG-CD2 4.2Å; P73-W76 HydrophobicContact CG-CE3 4.45Å; P73-W76 PolarHBondContact O-N 3.19Å; D74-W76 PolarHBondContact O-N 3.16Å; W76-R78 PolarHBondContact O-N 3.19Å; W76-L79 WeakPolarHBondContact O-CA 3.34Å; W76-L79 WeakPolarHBondContact O-CB 3.46Å; W76-L79 PolarHBondContact O-N 3.47Å; W76-M80 HydrophobicContact CB-SD 4Å; W76-M80 HydrophobicContact CE3-SD 4.33Å; W76-M80 WeakPolarHBondContact O-CG 3.18Å; W76-M80 PolarHBondContact O-N 2.99Å; W76-K107 HydrophobicContact CB-CG 4.41Å; W76-K107 HydrophobicContact CD2-CG 4.31Å; W76-K107 HydrophobicContact CE3-CG 4.41Å; W76-K107 HydrophobicContact CG-CG 4.32Å; W76-R142 HydrophobicContact CH2-CG 4.28Å; W76-R142 WeakPolarHBondContact CH2-O 3.48Å; W76-R142 HydrophobicContact CZ3-CG 4.32Å; W76-L145 HydrophobicContact CH2-CB 4.12Å; W76-L145 HydrophobicContact CZ3-CB 3.71Å; W76-L145 HydrophobicContact CZ3-CD1 4.5Å; W76-A146 HydrophobicContact CH2-CB 3.69Å; W76-A146 HydrophobicContact CZ2-CB 3.76Å
77K92.2Very high93.4Very high144 Ų14458.2 Ų58.263%0.62630%0.296SS*.THydrogen-bonded Turntrans-51.5-41.3-167.6-169.8173.8-177.9175.40113.1D74 L79 S196D74-K77 WeakPolarHBondContact O-CB 3.11Å; D74-K77 PolarHBondContact O-N 3.49Å; D74-K77 VanDerWaalsContact O-N 3.16Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-S196 WeakPolarHBondContact O-CB 3.44Å; K77-S196 PolarHBondContact O-OG 3.49Å
78R94.7Very high93.5Very high202 Ų20256.9 Ų56.976%0.76228%0.283SS*.THydrogen-bonded Turntrans-81.1-7.8179-66.4-173.2177.5-172.1-0.6115.2W76 S196 T285W76-R78 PolarHBondContact O-N 3.19Å; R78-S196 PolarHBondContact O-OG 3.41Å; R78-T285 WeakPolarHBondContact O-CG2 3.47Å
79L97.1Very high93.8Very high45 Ų4552.8 Ų52.824%0.23626%0.264CS..THydrogen-bonded Turntrans-103.8-12.1-177.9-54.9177000111.8W76 K77 V81 K107 L287W76-L79 WeakPolarHBondContact O-CA 3.34Å; W76-L79 WeakPolarHBondContact O-CB 3.46Å; W76-L79 PolarHBondContact O-N 3.47Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 2.83Å; L79-K107 HydrophobicContact CB-CG 4.09Å; L79-K107 PolarHBondContact O-N 3.32Å; L79-L287 HydrophobicContact CD2-CD1 4.16Å; L79-L287 HydrophobicContact CD2-CD2 4.18Å
80M97.9Very high94.1Very high0 Ų050.5 Ų50.50%025%0.25CC..BIsolated β-bridgetrans-69.6111.5179.6-59.9-53.8-52.500109.8W72 W76 K107 P109 L145 S196 A197W72-M80 HydrophobicContact CB-CG 4.48Å; W72-M80 HydrophobicContact CB-SD 4.25Å; W72-M80 HydrophobicContact CD2-CE 3.83Å; W72-M80 HydrophobicContact CD2-SD 4.11Å; W72-M80 VanDerWaalsContact CE2-CE 3.42Å; W72-M80 HydrophobicContact CG-CE 3.96Å; W72-M80 HydrophobicContact CG-CG 4.1Å; W72-M80 HydrophobicContact CG-SD 3.78Å; W72-M80 HydrophobicContact CZ2-CE 3.88Å; W76-M80 HydrophobicContact CB-SD 4Å; W76-M80 HydrophobicContact CE3-SD 4.33Å; W76-M80 WeakPolarHBondContact O-CG 3.18Å; W76-M80 PolarHBondContact O-N 2.99Å; M80-K107 WeakPolarHBondContact CA-O 3.33Å; M80-K107 HydrophobicContact CE-CB 4.13Å; M80-K107 HydrophobicContact SD-CB 3.52Å; M80-K107 VanDerWaalsContact SD-CB 3.52Å; M80-K107 HydrophobicContact SD-CG 4.22Å; M80-P109 HydrophobicContact CE-CB 4.08Å; M80-P109 HydrophobicContact CE-CG 3.48Å; M80-P109 VanDerWaalsContact CE-CG 3.48Å; M80-L145 HydrophobicContact CE-CD1 4.33Å; M80-S196 PolarHBondContact O-N 2.83Å; M80-S196 PolarHBondContact O-OG 3.2Å; M80-A197 PolarHBondContact O-N 3.36Å
81V98.6Very high94.4Very high0 Ų050.5 Ų50.50%025%0.25CS..EExtended strand (participates in β ladder)trans-135.8154.5-179.1-57.10000111.3L79 L101 C106 K107 V108 A197 L281 T285L79-V81 PolarHBondContact O-N 2.83Å; V81-L101 HydrophobicContact CG2-CD1 4.12Å; V81-L101 HydrophobicContact CG2-CD2 4.45Å; V81-C106 HydrophobicContact CG2-CB 3.57Å; V81-K107 PolarHBondContact N-O 2.83Å; V81-V108 HydrophobicContact CG2-CG2 3.91Å; V81-V108 WeakPolarHBondContact O-CA 3.33Å; V81-A197 VanDerWaalsContact CA-O 3.29Å; V81-A197 WeakPolarHBondContact CA-O 3.42Å; V81-A197 HydrophobicContact CG1-CB 4.15Å; V81-L281 HydrophobicContact CB-CD1 4.33Å; V81-L281 HydrophobicContact CB-CD2 3.99Å; V81-L281 HydrophobicContact CG1-CD2 4.33Å; V81-L281 HydrophobicContact CG2-CD1 4.37Å; V81-T285 HydrophobicContact CG1-CG2 3.31Å
82D98.1Very high94.7Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-150.4167.1166.6-160.320.7000113M110 K190 L195 A197 L198 V199D82-M110 WeakPolarHBondContact OD1-CB 3.43Å; D82-M110 WeakPolarHBondContact OD1-CE 3.45Å; D82-M110 WeakPolarHBondContact OD1-CG 3.38Å; D82-K190 WeakPolarHBondContact OD2-CE 3.46Å; D82-K190 IonicContact OD2-NZ 3.92Å; D82-K190 PolarHBondContact OD2-NZ 3.15Å; D82-L195 HydrophobicContact CB-CD1 3.59Å; D82-L195 HydrophobicContact CB-CD2 3.98Å; D82-L195 HydrophobicContact CB-CG 4.43Å; D82-A197 PolarHBondContact N-O 3.24Å; D82-L198 HydrophobicContact CB-CD1 4.43Å; D82-L198 WeakPolarHBondContact O-CA 3.35Å; D82-L198 WeakPolarHBondContact O-CD1 3.27Å; D82-V199 PolarHBondContact O-N 3.36Å; D82-V199 VanDerWaalsContact O-N 3.11Å
83K97.3Very high94.9Very high4 Ų440 Ų402%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-119136.1169.3-175.6-88.9-81.9-169.10110.1D91 S94 L97 V199 D201 L277K83-D91 IonicContact NZ-OD1 2.88Å; K83-S94 PolarHBondContact NZ-OG 3.35Å; K83-L97 HydrophobicContact CB-CD2 3.7Å; K83-L97 HydrophobicContact CG-CD2 3.92Å; K83-V199 VanDerWaalsContact CA-O 3.28Å; K83-V199 WeakPolarHBondContact CA-O 3.36Å; K83-D201 HydrophobicContact CD-CB 4.09Å; K83-L277 HydrophobicContact CD-CD1 4.43Å; K83-L277 HydrophobicContact CG-CD1 4.28Å; K83-L277 HydrophobicContact CG-CD2 4.36Å
84H95.6Very high95.1Very high34 Ų3438 Ų3816%0.15719%0.192CC..EExtended strand (participates in β ladder)trans-118.4142.5165.8-161.475.4000111.1I186 K190 V199 L200 D201H84-I186 HydrophobicContact CB-CG2 4.31Å; H84-I186 WeakPolarHBondContact CD2-CG2 3.27Å; H84-K190 HydrophobicContact CB-CD 4.28Å; H84-K190 HydrophobicContact CB-CG 4.4Å; H84-K190 VanDerWaalsContact ND1-CE 3.25Å; H84-K190 WeakPolarHBondContact ND1-CE 3.43Å; H84-V199 PolarHBondContact N-O 3.41Å; H84-L200 HydrophobicContact CB-CD2 4.12Å; H84-L200 CarbonylContact O-C 3.58Å; H84-L200 WeakPolarHBondContact O-CA 3.45Å; H84-D201 PolarHBondContact O-N 2.97Å
85S93.9Very high95.3Very high21 Ų2131.2 Ų31.215%0.14716%0.156CC..EExtended strand (participates in β ladder)trans-115143.9173.9173.30000109.5G87 D91 D201S85-G87 PolarHBondContact O-N 3.29Å; S85-G87 PolarHBondContact OG-N 3Å; S85-G87 VanDerWaalsContact OG-N 3.16Å; S85-D91 VanDerWaalsContact CB-OD2 3.24Å; S85-D91 WeakPolarHBondContact CB-OD2 3.29Å; S85-D91 PolarHBondContact OG-OD2 3.46Å; S85-D201 VanDerWaalsContact CA-O 3.32Å; S85-D201 WeakPolarHBondContact CA-O 3.39Å
86T90.1Very high95.5Very high33 Ų3326.7 Ų26.720%0.20213%0.125CC..  trans-69.7-4.2172.356.50000113.3D201 V202 K203 L219T86-D201 PolarHBondContact N-O 3.33Å; T86-V202 HydrophobicContact CG2-CB 4.34Å; T86-V202 HydrophobicContact CG2-CG1 4.15Å; T86-V202 HydrophobicContact CG2-CG2 4.16Å; T86-K203 PolarHBondContact OG1-N 2.72Å; T86-L219 HydrophobicContact CG2-CD2 3.84Å
87G85.6Confident95.6Very high17 Ų1725 Ų2518%0.17512%0.118CC..  trans99.2144.1179.700000112.3S85 K203S85-G87 PolarHBondContact O-N 3.29Å; S85-G87 PolarHBondContact OG-N 3Å; S85-G87 VanDerWaalsContact OG-N 3.16Å; G87-K203 VanDerWaalsContact O-CG 3.28Å; G87-K203 WeakPolarHBondContact O-CG 3.17Å
88G90.4Very high96Very high2 Ų218.1 Ų18.12%0.0219%0.089CC..  trans-164.3170-177.200000112.3
89V94.8Very high96.2Very high2 Ų28.5 Ų8.51%0.0125%0.052CC..THydrogen-bonded Turntrans-88.5123.5-179.9-175.70000108.9D91 A207 M241 T244 I245 V249 A365V89-D91 VanDerWaalsContact C-N 3.26Å; V89-D91 PolarHBondContact O-N 2.76Å; V89-A207 HydrophobicContact CG2-CB 3.85Å; V89-M241 HydrophobicContact CB-SD 4.39Å; V89-M241 PolarHBondContact N-SD 2.8Å; V89-T244 HydrophobicContact CG1-CG2 4Å; V89-T244 WeakPolarHBondContact O-CA 3.43Å; V89-I245 PolarHBondContact O-N 3.24Å; V89-V249 HydrophobicContact CG1-CB 4.42Å; V89-V249 HydrophobicContact CG1-CG1 3.65Å; V89-V249 HydrophobicContact CG1-CG2 3.81Å; V89-A365 HydrophobicContact CB-CB 4.45Å; V89-A365 HydrophobicContact CG1-CB 3.93Å; V89-A365 HydrophobicContact CG2-CB 3.63Å
90G95.4Very high96.2Very high1 Ų16.4 Ų6.41%0.014%0.041CC..THydrogen-bonded Turntrans69.520.3-171.600000113.3K92 I245 E254G90-K92 VanDerWaalsContact C-CE 3.49Å; G90-K92 VanDerWaalsContact C-N 3.35Å; G90-K92 WeakPolarHBondContact O-CE 3.35Å; G90-K92 PolarHBondContact O-N 3.42Å; G90-K92 PolarHBondContact O-NZ 3.05Å; G90-K92 VanDerWaalsContact O-NZ 3.1Å; G90-I245 WeakPolarHBondContact O-CB 3.48Å; G90-E254 WeakPolarHBondContact CA-OE1 3.42Å; G90-E254 WeakPolarHBondContact CA-OE2 3.41Å
91D96.3Very high96.3Very high11 Ų116.4 Ų6.46%0.0594%0.041CC..  trans-77.984.6178.7-172.2-0.6000111.2K83 S85 V89 V93 K125 K203 I245K83-D91 IonicContact NZ-OD1 2.88Å; S85-D91 VanDerWaalsContact CB-OD2 3.24Å; S85-D91 WeakPolarHBondContact CB-OD2 3.29Å; S85-D91 PolarHBondContact OG-OD2 3.46Å; V89-D91 VanDerWaalsContact C-N 3.26Å; V89-D91 PolarHBondContact O-N 2.76Å; D91-V93 WeakPolarHBondContact OD1-CB 3.47Å; D91-V93 VanDerWaalsContact OD1-CG2 3.28Å; D91-V93 WeakPolarHBondContact OD1-CG2 3.36Å; D91-V93 PolarHBondContact OD1-N 3.31Å; D91-K125 VanDerWaalsContact C-NZ 3.32Å; D91-K125 PolarHBondContact O-NZ 3.01Å; D91-K203 WeakPolarHBondContact OD2-CE 3.46Å; D91-I245 HydrophobicContact CB-CD1 4.09Å
92K97.4Very high96.3Very high0 Ų06.7 Ų6.70%04%0.043CC..  trans-98.79.8176.172.1-13373.3172.10113.9G90 S94 L95 I245 C248 E254 E257 S258 L270G90-K92 VanDerWaalsContact C-CE 3.49Å; G90-K92 VanDerWaalsContact C-N 3.35Å; G90-K92 WeakPolarHBondContact O-CE 3.35Å; G90-K92 PolarHBondContact O-N 3.42Å; G90-K92 PolarHBondContact O-NZ 3.05Å; G90-K92 VanDerWaalsContact O-NZ 3.1Å; K92-S94 PolarHBondContact O-N 3.24Å; K92-L95 PolarHBondContact O-N 2.87Å; K92-I245 WeakPolarHBondContact CE-O 3.45Å; K92-I245 PolarHBondContact NZ-O 3.39Å; K92-C248 PolarHBondContact NZ-O 3.39Å; K92-E254 HydrophobicContact CB-CB 4.2Å; K92-E254 HydrophobicContact CD-CB 4.16Å; K92-E254 HydrophobicContact CD-CG 4.27Å; K92-E257 HydrophobicContact CD-CB 4.13Å; K92-E257 HydrophobicContact CD-CG 4.24Å; K92-E257 VanDerWaalsContact CD-OE2 3.27Å; K92-E257 WeakPolarHBondContact CD-OE2 3.5Å; K92-E257 WeakPolarHBondContact CE-OE2 3.39Å; K92-E257 IonicContact NZ-OE2 3.19Å; K92-E257 PolarHBondContact NZ-OE2 2.84Å; K92-S258 WeakPolarHBondContact CB-OG 3.41Å; K92-S258 WeakPolarHBondContact CG-OG 3.46Å; K92-L270 HydrophobicContact CD-CD2 3.96Å; K92-L270 HydrophobicContact CG-CD1 4.1Å; K92-L270 HydrophobicContact CG-CD2 3.72Å
93V98.4Very high96.3Very high0 Ų08.3 Ų8.30%06%0.057CC..Hα-helixtrans-50.1-41.1-176.2171.70000111.9D91 L95 V96 L97 L270 L273 V274 L277D91-V93 WeakPolarHBondContact OD1-CB 3.47Å; D91-V93 VanDerWaalsContact OD1-CG2 3.28Å; D91-V93 WeakPolarHBondContact OD1-CG2 3.36Å; D91-V93 PolarHBondContact OD1-N 3.31Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.81Å; V93-V96 PolarHBondContact O-N 3.35Å; V93-L97 HydrophobicContact CG1-CB 4.15Å; V93-L97 HydrophobicContact CG1-CD2 4.17Å; V93-L97 WeakPolarHBondContact O-CB 3.4Å; V93-L97 PolarHBondContact O-N 3.22Å; V93-L270 HydrophobicContact CB-CD1 4.39Å; V93-L270 HydrophobicContact CG2-CD1 3.68Å; V93-L273 HydrophobicContact CG2-CB 4.07Å; V93-L273 HydrophobicContact CG2-CD1 4.19Å; V93-V274 HydrophobicContact CG1-CG2 4.01Å; V93-L277 HydrophobicContact CG1-CD1 3.68Å
94S98.5Very high96.4Very high8 Ų89.2 Ų9.26%0.0566%0.064CC..Hα-helixtrans-61.2-32.4-177.3-68.60000113.9K83 K92 V96 A98K83-S94 PolarHBondContact NZ-OG 3.35Å; K92-S94 PolarHBondContact O-N 3.24Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.12Å; S94-A98 WeakPolarHBondContact O-CB 3.22Å; S94-A98 PolarHBondContact O-N 3.03Å
95L98.8Very high96.5Very high1 Ų19.4 Ų9.41%0.0058%0.075CC..Hα-helixtrans-67.9-31.1179.7-83.361.2000111.6K92 V93 P99 T122 K125 L126 V255 S258 F311K92-L95 PolarHBondContact O-N 2.87Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.81Å; L95-P99 VanDerWaalsContact O-CD 3.24Å; L95-P99 WeakPolarHBondContact O-CD 3.4Å; L95-P99 VanDerWaalsContact O-CG 3.29Å; L95-P99 WeakPolarHBondContact O-CG 3.29Å; L95-T122 HydrophobicContact CD1-CG2 3.42Å; L95-T122 VanDerWaalsContact CD1-CG2 3.42Å; L95-K125 HydrophobicContact CD2-CB 4.4Å; L95-L126 HydrophobicContact CD1-CG 4.47Å; L95-L126 HydrophobicContact CD2-CD2 4.38Å; L95-L126 HydrophobicContact CG-CD2 4.09Å; L95-V255 HydrophobicContact CD2-CG2 3.93Å; L95-S258 WeakPolarHBondContact CB-OG 3.39Å; L95-S258 WeakPolarHBondContact CD2-OG 3.1Å; L95-F311 HydrophobicContact CB-CE2 4.32Å; L95-F311 HydrophobicContact CG-CE2 4.49Å; L95-F311 WeakPolarHBondContact O-CD2 3.42Å; L95-F311 WeakPolarHBondContact O-CE2 3.08Å
96V98.8Very high96.8Very high0 Ų08.5 Ų8.50%07%0.068CC..Hα-helixtrans-91.1-42.3178.9-174.30000111V93 S94 P99 A100 T261 L262 V274 V302V93-V96 PolarHBondContact O-N 3.35Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.12Å; V96-P99 VanDerWaalsContact O-CD 3.32Å; V96-P99 WeakPolarHBondContact O-CD 3.46Å; V96-P99 VanDerWaalsContact O-CG 3.27Å; V96-P99 WeakPolarHBondContact O-CG 3.08Å; V96-A100 WeakPolarHBondContact O-CB 3.49Å; V96-A100 PolarHBondContact O-N 3.16Å; V96-T261 HydrophobicContact CG1-CG2 3.92Å; V96-T261 HydrophobicContact CG2-CG2 4.01Å; V96-L262 HydrophobicContact CB-CD2 4.47Å; V96-L262 HydrophobicContact CG1-CD2 3.84Å; V96-L262 HydrophobicContact CG1-CG 4.19Å; V96-L262 HydrophobicContact CG2-CG 4.45Å; V96-V274 HydrophobicContact CB-CG2 3.93Å; V96-V274 HydrophobicContact CG1-CG1 3.93Å; V96-V274 HydrophobicContact CG1-CG2 4.01Å; V96-V302 HydrophobicContact CG1-CG2 4.18Å
97L98.9Very high97.2Very high0 Ų08.5 Ų8.50%07%0.065CC..Hα-helixtrans-70-42.8-172.4179.261.2000112.9K83 V93 A100 L101 V274 L277K83-L97 HydrophobicContact CB-CD2 3.7Å; K83-L97 HydrophobicContact CG-CD2 3.92Å; V93-L97 HydrophobicContact CG1-CB 4.15Å; V93-L97 HydrophobicContact CG1-CD2 4.17Å; V93-L97 WeakPolarHBondContact O-CB 3.4Å; V93-L97 PolarHBondContact O-N 3.22Å; L97-A100 PolarHBondContact O-N 3.36Å; L97-L101 HydrophobicContact CD1-CD1 3.84Å; L97-L101 HydrophobicContact CD1-CD2 4.48Å; L97-L101 HydrophobicContact CD1-CG 3.84Å; L97-L101 HydrophobicContact CD2-CD1 4.39Å; L97-L101 HydrophobicContact CG-CD1 3.73Å; L97-L101 HydrophobicContact CG-CG 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.41Å; L97-V274 HydrophobicContact CD1-CG1 4.43Å; L97-L277 HydrophobicContact CD2-CB 3.88Å; L97-L277 HydrophobicContact CD2-CD1 4.46Å
98A98.8Very high97.8Very high0 Ų07.7 Ų7.70%06%0.057CC..Hα-helixtrans-57.4-51.4-179.300000112.9S94 A102 V108 M110 C150 I152S94-A98 WeakPolarHBondContact O-CB 3.22Å; S94-A98 PolarHBondContact O-N 3.03Å; A98-A102 PolarHBondContact O-N 3.06Å; A98-A102 VanDerWaalsContact O-N 3.14Å; A98-V108 HydrophobicContact CB-CG1 4.16Å; A98-M110 HydrophobicContact CB-CE 4.32Å; A98-C150 HydrophobicContact CB-CB 4.31Å; A98-I152 HydrophobicContact CB-CD1 4.16Å; A98-I152 HydrophobicContact CB-CG1 4.33Å
99P98.9Very high98.1Very high0 Ų07.6 Ų7.60%06%0.056CC..Hα-helixtrans-70.2-30.7176.229.7-38.4000113.5L95 V96 A102 A103 L262 A307 K310 F311L95-P99 VanDerWaalsContact O-CD 3.24Å; L95-P99 WeakPolarHBondContact O-CD 3.4Å; L95-P99 VanDerWaalsContact O-CG 3.29Å; L95-P99 WeakPolarHBondContact O-CG 3.29Å; V96-P99 VanDerWaalsContact O-CD 3.32Å; V96-P99 WeakPolarHBondContact O-CD 3.46Å; V96-P99 VanDerWaalsContact O-CG 3.27Å; V96-P99 WeakPolarHBondContact O-CG 3.08Å; P99-A102 PolarHBondContact O-N 3.44Å; P99-A103 WeakPolarHBondContact O-CB 3.09Å; P99-A103 PolarHBondContact O-N 2.95Å; P99-L262 HydrophobicContact CG-CD1 4.44Å; P99-L262 HydrophobicContact CG-CD2 4.11Å; P99-A307 WeakPolarHBondContact CB-O 3.47Å; P99-K310 HydrophobicContact CB-CB 3.66Å; P99-F311 HydrophobicContact CB-CB 4.02Å; P99-F311 HydrophobicContact CG-CB 4.04Å; P99-F311 HydrophobicContact CG-CD2 3.96Å; P99-F311 HydrophobicContact CG-CG 4.47Å
100A98.9Very high98.1Very high0 Ų07.7 Ų7.70%06%0.056CC..Hα-helixtrans-64.2-45.4175.300000111.8V96 L97 A102 A103 C104 I298 V302 A307V96-A100 WeakPolarHBondContact O-CB 3.49Å; V96-A100 PolarHBondContact O-N 3.16Å; L97-A100 PolarHBondContact O-N 3.36Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.2Å; A100-A103 WeakPolarHBondContact O-CB 3.42Å; A100-A103 PolarHBondContact O-N 3.16Å; A100-C104 PolarHBondContact O-N 3.33Å; A100-C104 PolarHBondContact O-SG 3.39Å; A100-C104 VanDerWaalsContact O-SG 3.4Å; A100-I298 HydrophobicContact CB-CD1 4.31Å; A100-I298 HydrophobicContact CB-CG2 4.27Å; A100-V302 HydrophobicContact CB-CG2 3.96Å; A100-A307 HydrophobicContact CB-CB 4.01Å
101L98.9Very high97.9Very high0 Ų07.8 Ų7.80%06%0.057CC..Hα-helixtrans-60.3-42.9173.5-74.8167000111.9V81 L97 A103 C104 G105 C106 V108 L281 L282 I298V81-L101 HydrophobicContact CG2-CD1 4.12Å; V81-L101 HydrophobicContact CG2-CD2 4.45Å; L97-L101 HydrophobicContact CD1-CD1 3.84Å; L97-L101 HydrophobicContact CD1-CD2 4.48Å; L97-L101 HydrophobicContact CD1-CG 3.84Å; L97-L101 HydrophobicContact CD2-CD1 4.39Å; L97-L101 HydrophobicContact CG-CD1 3.73Å; L97-L101 HydrophobicContact CG-CG 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.41Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 2.99Å; L101-C104 CarbonylContact O-C 3.56Å; L101-C104 PolarHBondContact O-N 2.92Å; L101-C104 VanDerWaalsContact O-N 3.12Å; L101-G105 PolarHBondContact O-N 2.66Å; L101-C106 HydrophobicContact CB-CB 4.03Å; L101-C106 VanDerWaalsContact O-CB 3.31Å; L101-C106 WeakPolarHBondContact O-CB 3.16Å; L101-C106 PolarHBondContact O-N 3.48Å; L101-V108 HydrophobicContact CB-CG2 3.71Å; L101-V108 HydrophobicContact CD1-CG2 4.14Å; L101-L281 HydrophobicContact CD1-CD1 3.6Å; L101-L281 HydrophobicContact CD2-CB 3.91Å; L101-L281 HydrophobicContact CD2-CD1 4.12Å; L101-L282 HydrophobicContact CD2-CD2 4.25Å; L101-I298 HydrophobicContact CD2-CD1 4.07Å; L101-I298 HydrophobicContact CG-CD1 4.41Å
102A98.9Very high97.5Very high6 Ų68 Ų85%0.056%0.059CC..Hα-helixtrans-64.2-34176.300000112.8A98 P99 A100 C104 G105 C150 K310A98-A102 PolarHBondContact O-N 3.06Å; A98-A102 VanDerWaalsContact O-N 3.14Å; P99-A102 PolarHBondContact O-N 3.44Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.2Å; A102-C104 VanDerWaalsContact C-N 3.31Å; A102-G105 PolarHBondContact O-N 3.47Å; A102-C150 HydrophobicContact CB-CB 3.85Å; A102-K310 HydrophobicContact CB-CD 4.3Å; A102-K310 HydrophobicContact CB-CG 4.3Å
103A98.8Very high96.7Very high34 Ų349 Ų928%0.2817%0.069SC..Hα-helixtrans-67.2-32.9172.900000112P99 A100 L101 G105 A301 A306 K310P99-A103 WeakPolarHBondContact O-CB 3.09Å; P99-A103 PolarHBondContact O-N 2.95Å; A100-A103 WeakPolarHBondContact O-CB 3.42Å; A100-A103 PolarHBondContact O-N 3.16Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 2.99Å; A103-G105 VanDerWaalsContact C-N 3.26Å; A103-G105 PolarHBondContact O-N 3.47Å; A103-A301 HydrophobicContact CB-CB 4.05Å; A103-A306 HydrophobicContact CB-CB 3.93Å; A103-K310 HydrophobicContact CB-CG 4.02Å
104C98.7Very high96.1Very high24 Ų2413.6 Ų13.616%0.1629%0.087CC..THydrogen-bonded Turntrans-82.26.6173.9-62.30000114.3A100 L101 A102 L282A100-C104 PolarHBondContact O-N 3.33Å; A100-C104 PolarHBondContact O-SG 3.39Å; A100-C104 VanDerWaalsContact O-SG 3.4Å; L101-C104 CarbonylContact O-C 3.56Å; L101-C104 PolarHBondContact O-N 2.92Å; L101-C104 VanDerWaalsContact O-N 3.12Å; A102-C104 VanDerWaalsContact C-N 3.31Å; C104-L282 HydrophobicContact CB-CD1 3.99Å; C104-L282 HydrophobicContact CB-CD2 3.71Å
105G98.1Very high95Very high38 Ų3814.2 Ų14.239%0.39210%0.095SC..THydrogen-bonded Turntrans95.61.7173.300000115.9L101 A102 A103L101-G105 PolarHBondContact O-N 2.66Å; A102-G105 PolarHBondContact O-N 3.47Å; A103-G105 VanDerWaalsContact C-N 3.26Å; A103-G105 PolarHBondContact O-N 3.47Å
106C98.7Very high93.4Very high1 Ų116 Ų161%0.00710%0.104CC..  trans-73.5166.1173.6-64.50000112.8V81 L101 V108 L287V81-C106 HydrophobicContact CG2-CB 3.57Å; L101-C106 HydrophobicContact CB-CB 4.03Å; L101-C106 VanDerWaalsContact O-CB 3.31Å; L101-C106 WeakPolarHBondContact O-CB 3.16Å; L101-C106 PolarHBondContact O-N 3.48Å; C106-V108 HydrophobicContact CB-CG2 4.36Å; C106-L287 VanDerWaalsContact SG-CD1 3.51Å
107K98.6Very high92Very high33 Ų3319 Ų1914%0.14313%0.129CC..BIsolated β-bridgetrans-116119.5168.9-61.4-59.3-174-174.70109.3W76 L79 M80 V81 P109 L145 G149W76-K107 HydrophobicContact CB-CG 4.41Å; W76-K107 HydrophobicContact CD2-CG 4.31Å; W76-K107 HydrophobicContact CE3-CG 4.41Å; W76-K107 HydrophobicContact CG-CG 4.32Å; L79-K107 HydrophobicContact CB-CG 4.09Å; L79-K107 PolarHBondContact O-N 3.32Å; M80-K107 WeakPolarHBondContact CA-O 3.33Å; M80-K107 HydrophobicContact CE-CB 4.13Å; M80-K107 HydrophobicContact SD-CB 3.52Å; M80-K107 VanDerWaalsContact SD-CB 3.52Å; M80-K107 HydrophobicContact SD-CG 4.22Å; V81-K107 PolarHBondContact N-O 2.83Å; K107-P109 WeakPolarHBondContact O-CD 3.32Å; K107-L145 WeakPolarHBondContact CD-O 3.32Å; K107-L145 WeakPolarHBondContact CE-O 3.22Å; K107-L145 PolarHBondContact NZ-O 3Å; K107-G149 CarbonylContact C-O 3.55Å; K107-G149 VanDerWaalsContact CA-O 3.27Å; K107-G149 WeakPolarHBondContact CA-O 3.38Å
108V98.5Very high90.8Very high0 Ų021.1 Ų21.10%014%0.138CC..EExtended strand (participates in β ladder)trans-119.591.3-170.6-1690000111.4V81 A98 L101 C106 M110 L145 G149 C150 C151V81-V108 HydrophobicContact CG2-CG2 3.91Å; V81-V108 WeakPolarHBondContact O-CA 3.33Å; A98-V108 HydrophobicContact CB-CG1 4.16Å; L101-V108 HydrophobicContact CB-CG2 3.71Å; L101-V108 HydrophobicContact CD1-CG2 4.14Å; C106-V108 HydrophobicContact CB-CG2 4.36Å; V108-M110 HydrophobicContact CG1-CB 4.14Å; V108-M110 HydrophobicContact CG1-CE 4.35Å; V108-M110 PolarHBondContact O-N 3.25Å; V108-M110 VanDerWaalsContact O-N 3.17Å; V108-L145 WeakPolarHBondContact O-CD2 3.39Å; V108-G149 PolarHBondContact N-O 3.07Å; V108-C150 HydrophobicContact CB-CB 3.83Å; V108-C150 HydrophobicContact CG2-CB 4.34Å; V108-C150 WeakPolarHBondContact O-CA 3.31Å; V108-C151 PolarHBondContact O-N 3.37Å
109P96.5Very high89.5Confident1 Ų122.4 Ų22.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-86.550-179.639.1-39.4000111.6W72 M80 K107 I111 L145 E193 L195W72-P109 HydrophobicContact CH2-CB 4.19Å; W72-P109 HydrophobicContact CZ2-CB 3.78Å; W72-P109 HydrophobicContact CZ2-CG 4.23Å; M80-P109 HydrophobicContact CE-CB 4.08Å; M80-P109 HydrophobicContact CE-CG 3.48Å; M80-P109 VanDerWaalsContact CE-CG 3.48Å; K107-P109 WeakPolarHBondContact O-CD 3.32Å; P109-I111 PolarHBondContact O-N 2.9Å; P109-L145 HydrophobicContact CB-CD1 3.83Å; P109-E193 HydrophobicContact CG-CB 4.07Å; P109-E193 HydrophobicContact CG-CG 4.45Å; P109-L195 HydrophobicContact CG-CD2 3.77Å
110M95.3Very high88.4Confident3 Ų324.2 Ų24.22%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-64.1109.9-163.4-176.8179.3-72.900112.4D82 A98 V108 C151 I152 V153D82-M110 WeakPolarHBondContact OD1-CB 3.43Å; D82-M110 WeakPolarHBondContact OD1-CE 3.45Å; D82-M110 WeakPolarHBondContact OD1-CG 3.38Å; A98-M110 HydrophobicContact CB-CE 4.32Å; V108-M110 HydrophobicContact CG1-CB 4.14Å; V108-M110 HydrophobicContact CG1-CE 4.35Å; V108-M110 PolarHBondContact O-N 3.25Å; V108-M110 VanDerWaalsContact O-N 3.17Å; M110-C151 WeakPolarHBondContact CB-O 3.38Å; M110-C151 PolarHBondContact N-O 3.21Å; M110-C151 VanDerWaalsContact N-O 3.12Å; M110-I152 HydrophobicContact CB-CG1 4.25Å; M110-I152 WeakPolarHBondContact O-CA 3.43Å; M110-I152 HydrophobicContact SD-CD1 4.18Å; M110-I152 HydrophobicContact SD-CG1 4.03Å; M110-I152 HydrophobicContact SD-CG2 4.36Å; M110-V153 PolarHBondContact O-N 2.84Å
111I90.6Very high87.9Confident4 Ų424.4 Ų24.42%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-85.6115.3165.8-52.9173.6000108M70 P109 V153 Q155 L159 K190 E193M70-I111 HydrophobicContact CE-CD1 3.88Å; M70-I111 HydrophobicContact CE-CG1 4.32Å; P109-I111 PolarHBondContact O-N 2.9Å; I111-V153 WeakPolarHBondContact CA-O 3.28Å; I111-V153 HydrophobicContact CG1-CG2 4.21Å; I111-Q155 HydrophobicContact CG2-CG 4.03Å; I111-L159 HydrophobicContact CD1-CD1 4.1Å; I111-K190 PolarHBondContact O-NZ 3Å; I111-E193 HydrophobicContact CB-CG 4.48Å; I111-E193 WeakPolarHBondContact CB-OE1 3.43Å; I111-E193 HydrophobicContact CD1-CG 3.54Å; I111-E193 HydrophobicContact CG1-CG 3.76Å; I111-E193 WeakPolarHBondContact CG1-OE1 3.06Å; I111-E193 PolarHBondContact N-OE1 2.94Å
112S88.2Confident87.6Confident15 Ų1525.2 Ų25.211%0.10517%0.172CC..  trans-111166.5-179.2-1670000112T122 L123 V153S112-T122 WeakPolarHBondContact OG-CB 3.45Å; S112-T122 PolarHBondContact OG-OG1 3.42Å; S112-L123 WeakPolarHBondContact O-CD1 3.39Å; S112-V153 PolarHBondContact N-O 3.33Å
113G81.6Confident87.4Confident21 Ų2125.2 Ų25.222%0.21617%0.171CC..PPolyproline II helixtrans-102.5164.9172.400000113L123G113-L123 WeakPolarHBondContact O-CG 3.43Å
114R84.7Confident87.2Confident97 Ų9723.8 Ų23.837%0.36616%0.159SC..PPolyproline II helixtrans-78.6168.2159.8-66.6-177.9175-77.81.4109.8L123 D124 E127R114-L123 HydrophobicContact CG-CB 4.32Å; R114-L123 HydrophobicContact CG-CD1 4.25Å; R114-D124 IonicContact CZ-OD1 3.7Å; R114-D124 IonicContact NH1-OD1 3.08Å; R114-D124 PolarHBondContact NH1-OD1 3.43Å; R114-E127 IonicContact CZ-OE1 3.11Å; R114-E127 IonicContact CZ-OE2 3.84Å; R114-E127 IonicContact NH1-OE1 2.8Å; R114-E127 IonicContact NH1-OE2 3.96Å; R114-E127 PolarHBondContact NH1-OE2 2.88Å; R114-E127 VanDerWaalsContact NH2-CD 3.35Å; R114-E127 IonicContact NH2-OE1 2.74Å; R114-E127 PolarHBondContact NH2-OE1 3.14Å; R114-E127 IonicContact NH2-OE2 2.73Å; R114-E127 PolarHBondContact NH2-OE2 3.34Å
115G75.3Confident87.1Confident21 Ų2122.7 Ų22.722%0.21615%0.151CC..PPolyproline II helixtrans-62.1141.6179.100000112.1T119 G121 D124G115-T119 CarbonylContact C-O 3.43Å; G115-T119 WeakPolarHBondContact CA-O 3.43Å; G115-G121 VanDerWaalsContact CA-N 3.34Å; G115-G121 VanDerWaalsContact N-CA 3.3Å; G115-D124 PolarHBondContact N-OD2 3.16Å
116L65.4Low87.1Confident37 Ų3720.9 Ų20.919%0.19413%0.133CC..  trans-119.7142.6169.7-82.6-169.1000110.1H118 T119 Y167L116-H118 PolarHBondContact O-N 3.45Å; L116-T119 PolarHBondContact N-O 3.07Å; L116-T119 PolarHBondContact O-N 3.44Å; L116-T119 PolarHBondContact O-OG1 2.81Å; L116-Y167 HydrophobicContact CD1-CE1 3.68Å; L116-Y167 HydrophobicContact CD1-CE2 3.76Å; L116-Y167 WeakPolarHBondContact CD1-OH 3.36Å; L116-Y167 HydrophobicContact CD2-CE1 3.76Å; L116-Y167 HydrophobicContact CG-CE1 3.84Å; L116-Y167 WeakPolarHBondContact CG-OH 3.49Å
117A69.2Low87Confident64 Ų6423.6 Ų23.653%0.52915%0.145SC..THydrogen-bonded Turntrans47.9-125.2-179.900000111Q369A117-Q369 PolarHBondContact O-NE2 3.05Å
118H73.5Confident86.9Confident44 Ų4422.3 Ų22.320%0.20414%0.141CC..THydrogen-bonded Turntrans-83-6.6178.862.7-78.1000114L116 A207 L362 A365 Q366L116-H118 PolarHBondContact O-N 3.45Å; H118-A207 PolarHBondContact NE2-O 3.21Å; H118-L362 HydrophobicContact CB-CD1 4.09Å; H118-L362 WeakPolarHBondContact CD2-CD1 3.48Å; H118-L362 VanDerWaalsContact CG-CD1 3.46Å; H118-A365 HydrophobicContact CB-CB 4.14Å; H118-A365 WeakPolarHBondContact O-CB 3.48Å; H118-Q366 HydrophobicContact CB-CG 4.28Å
119T71.8Confident86.9Confident27 Ų2722.4 Ų22.417%0.16614%0.141CC..SBendtrans-89.8132.1-177.1640000111.4G115 L116G115-T119 CarbonylContact C-O 3.43Å; G115-T119 WeakPolarHBondContact CA-O 3.43Å; L116-T119 PolarHBondContact N-O 3.07Å; L116-T119 PolarHBondContact O-N 3.44Å; L116-T119 PolarHBondContact O-OG1 2.81Å
120G76.7Confident86.9Confident38 Ų3825.4 Ų25.439%0.39216%0.16SC..PPolyproline II helixtrans-73.9144.1173.900000111.8
121G87.4Confident87Confident4 Ų427.7 Ų27.74%0.04119%0.185CC..PPolyproline II helixtrans-93.6143.9-18000000113.5G115 L123 D124 K125G115-G121 VanDerWaalsContact CA-N 3.34Å; G115-G121 VanDerWaalsContact N-CA 3.3Å; G121-L123 PolarHBondContact O-N 2.93Å; G121-D124 WeakPolarHBondContact O-CB 3.38Å; G121-D124 PolarHBondContact O-N 3Å; G121-K125 WeakPolarHBondContact O-CG 3.31Å; G121-K125 PolarHBondContact O-N 2.83Å
122T94.1Very high87.4Confident18 Ų1828.1 Ų28.111%0.1119%0.187CC..Hα-helixtrans-57-39174.5-45.60000112.4L95 S112 K125 L126 I152L95-T122 HydrophobicContact CD1-CG2 3.42Å; L95-T122 VanDerWaalsContact CD1-CG2 3.42Å; S112-T122 WeakPolarHBondContact OG-CB 3.45Å; S112-T122 PolarHBondContact OG-OG1 3.42Å; T122-K125 PolarHBondContact O-N 2.58Å; T122-L126 HydrophobicContact CG2-CD1 4.42Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.08Å; T122-L126 VanDerWaalsContact O-N 3.1Å; T122-I152 HydrophobicContact CG2-CD1 4.41Å; T122-I152 HydrophobicContact CG2-CG2 4.14Å
123L93.9Very high87.8Confident5 Ų530.6 Ų30.63%0.02620%0.199CC..Hα-helixtrans-68-39.4-179.3-61.4-179.6000112.1S112 G113 R114 G121 K125 L126 E127 I134 I152S112-L123 WeakPolarHBondContact O-CD1 3.39Å; G113-L123 WeakPolarHBondContact O-CG 3.43Å; R114-L123 HydrophobicContact CG-CB 4.32Å; R114-L123 HydrophobicContact CG-CD1 4.25Å; G121-L123 PolarHBondContact O-N 2.93Å; L123-K125 VanDerWaalsContact C-N 3.28Å; L123-K125 PolarHBondContact O-N 3.24Å; L123-L126 PolarHBondContact O-N 2.85Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.33Å; L123-I134 HydrophobicContact CB-CD1 4.28Å; L123-I134 HydrophobicContact CB-CG2 4.47Å; L123-I134 HydrophobicContact CD1-CD1 4.25Å; L123-I134 HydrophobicContact CD2-CB 4.19Å; L123-I134 HydrophobicContact CD2-CG2 4Å; L123-I152 HydrophobicContact CD2-CG2 4.01Å
124D93.6Very high88.4Confident5 Ų530 Ų303%0.02719%0.191CC..Hα-helixtrans-63.6-37.3177.8-67.2-40.8000111.3R114 G115 G121 R375 I382 H384R114-D124 IonicContact CZ-OD1 3.7Å; R114-D124 IonicContact NH1-OD1 3.08Å; R114-D124 PolarHBondContact NH1-OD1 3.43Å; G115-D124 PolarHBondContact N-OD2 3.16Å; G121-D124 WeakPolarHBondContact O-CB 3.38Å; G121-D124 PolarHBondContact O-N 3Å; D124-R375 IonicContact OD1-CZ 2.62Å; D124-R375 IonicContact OD1-NH1 2.72Å; D124-R375 PolarHBondContact OD1-NH1 3.38Å; D124-R375 IonicContact OD1-NH2 3.64Å; D124-R375 PolarHBondContact OD1-NH2 3.16Å; D124-R375 IonicContact OD2-NH1 2.74Å; D124-R375 PolarHBondContact OD2-NH1 3.26Å; D124-I382 HydrophobicContact CB-CD1 3.51Å; D124-H384 PolarHBondContact O-NE2 2.88Å
125K96.8Very high88.7Confident1 Ų131.9 Ų31.90%0.00420%0.203CC..Hα-helixtrans-63-50.1172.1-61.6166.1-161.5-173.30110.7D91 L95 G121 T122 L123 E127 S128 E254 V255D91-K125 VanDerWaalsContact C-NZ 3.32Å; D91-K125 PolarHBondContact O-NZ 3.01Å; L95-K125 HydrophobicContact CD2-CB 4.4Å; G121-K125 WeakPolarHBondContact O-CG 3.31Å; G121-K125 PolarHBondContact O-N 2.83Å; T122-K125 PolarHBondContact O-N 2.58Å; L123-K125 VanDerWaalsContact C-N 3.28Å; L123-K125 PolarHBondContact O-N 3.24Å; K125-E127 VanDerWaalsContact C-N 3.33Å; K125-E127 PolarHBondContact O-N 3.2Å; K125-S128 WeakPolarHBondContact O-CB 3.46Å; K125-S128 PolarHBondContact O-N 3.48Å; K125-S128 PolarHBondContact O-OG 2.89Å; K125-E254 HydrophobicContact CD-CB 4.07Å; K125-E254 WeakPolarHBondContact CE-OE2 3.41Å; K125-E254 HydrophobicContact CG-CB 4.35Å; K125-E254 IonicContact NZ-OE1 3.65Å; K125-E254 IonicContact NZ-OE2 2.63Å; K125-E254 PolarHBondContact NZ-OE2 3Å; K125-V255 HydrophobicContact CB-CG2 4.18Å; K125-V255 WeakPolarHBondContact O-CG2 3.46Å
126L97.9Very high89.4Confident0 Ų031.6 Ų31.60%020%0.196CC..Hα-helixtrans-65.2-33.9-178.3-71.1169.2000113.2L95 T122 L123 S128 I129 F132 I152 F311L95-L126 HydrophobicContact CD1-CG 4.47Å; L95-L126 HydrophobicContact CD2-CD2 4.38Å; L95-L126 HydrophobicContact CG-CD2 4.09Å; T122-L126 HydrophobicContact CG2-CD1 4.42Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.08Å; T122-L126 VanDerWaalsContact O-N 3.1Å; L123-L126 PolarHBondContact O-N 2.85Å; L126-S128 PolarHBondContact O-N 3.36Å; L126-I129 HydrophobicContact CD2-CD1 4.13Å; L126-I129 VanDerWaalsContact O-CB 3.32Å; L126-I129 WeakPolarHBondContact O-CB 3.34Å; L126-I129 PolarHBondContact O-N 2.97Å; L126-F132 HydrophobicContact CB-CD1 3.87Å; L126-F132 HydrophobicContact CB-CE1 3.9Å; L126-F132 HydrophobicContact CB-CG 4.23Å; L126-F132 HydrophobicContact CB-CZ 4.26Å; L126-F132 HydrophobicContact CD1-CE1 3.87Å; L126-F132 HydrophobicContact CD1-CZ 3.84Å; L126-F132 HydrophobicContact CD2-CD2 4.4Å; L126-F132 HydrophobicContact CD2-CE1 4.48Å; L126-F132 HydrophobicContact CD2-CE2 3.94Å; L126-F132 HydrophobicContact CD2-CZ 3.99Å; L126-F132 HydrophobicContact CG-CE1 4.31Å; L126-F132 HydrophobicContact CG-CZ 4.26Å; L126-F132 WeakPolarHBondContact O-CB 3.49Å; L126-I152 HydrophobicContact CD1-CB 3.65Å; L126-I152 HydrophobicContact CD1-CD1 3.96Å; L126-I152 HydrophobicContact CD1-CG1 4.38Å; L126-I152 HydrophobicContact CD1-CG2 3.57Å; L126-F311 HydrophobicContact CD2-CE2 4.42Å; L126-F311 HydrophobicContact CD2-CZ 4.26Å
127E96.5Very high90.5Very high57 Ų5732.3 Ų32.327%0.26620%0.204SC..THydrogen-bonded Turntrans-67.3-9.4173.8-74.6-179.4146.300113.5R114 L123 K125 I129 I134 H384R114-E127 IonicContact CZ-OE1 3.11Å; R114-E127 IonicContact CZ-OE2 3.84Å; R114-E127 IonicContact NH1-OE1 2.8Å; R114-E127 IonicContact NH1-OE2 3.96Å; R114-E127 PolarHBondContact NH1-OE2 2.88Å; R114-E127 VanDerWaalsContact NH2-CD 3.35Å; R114-E127 IonicContact NH2-OE1 2.74Å; R114-E127 PolarHBondContact NH2-OE1 3.14Å; R114-E127 IonicContact NH2-OE2 2.73Å; R114-E127 PolarHBondContact NH2-OE2 3.34Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.33Å; K125-E127 VanDerWaalsContact C-N 3.33Å; K125-E127 PolarHBondContact O-N 3.2Å; E127-I129 PolarHBondContact O-N 2.62Å; E127-I134 HydrophobicContact CG-CD1 4.3Å; E127-I134 HydrophobicContact CG-CG1 4.49Å; E127-I134 HydrophobicContact CG-CG2 4.05Å; E127-I134 WeakPolarHBondContact OE1-CD1 3.4Å; E127-H384 PolarHBondContact O-CE1 2.95Å; E127-H384 VanDerWaalsContact O-CE1 3.31Å; E127-H384 PolarHBondContact O-ND1 2.81Å
128S96.9Very high91.3Very high7 Ų731.3 Ų31.35%0.04920%0.196CC..THydrogen-bonded Turntrans-70.4-18.3167.288.40000112.8K125 L126 P130 S252 V255 L339K125-S128 WeakPolarHBondContact O-CB 3.46Å; K125-S128 PolarHBondContact O-N 3.48Å; K125-S128 PolarHBondContact O-OG 2.89Å; L126-S128 PolarHBondContact O-N 3.36Å; S128-P130 WeakPolarHBondContact O-CD 3.48Å; S128-S252 WeakPolarHBondContact CB-OG 3.27Å; S128-V255 WeakPolarHBondContact OG-CG2 3.47Å; S128-L339 WeakPolarHBondContact O-CD2 3.41Å
129I98.4Very high92.1Very high2 Ų233.5 Ų33.51%0.0121%0.209CC..SBendtrans-84.4119.3176.8-58.3165.1000108.4L126 E127 G131 F132 V255 F311 M315 V320 L328 L339L126-I129 HydrophobicContact CD2-CD1 4.13Å; L126-I129 VanDerWaalsContact O-CB 3.32Å; L126-I129 WeakPolarHBondContact O-CB 3.34Å; L126-I129 PolarHBondContact O-N 2.97Å; E127-I129 PolarHBondContact O-N 2.62Å; I129-G131 PolarHBondContact O-N 3.19Å; I129-G131 VanDerWaalsContact O-N 3.17Å; I129-F132 HydrophobicContact CB-CB 4.09Å; I129-F132 HydrophobicContact CD1-CD2 4.31Å; I129-F132 HydrophobicContact CG2-CB 4.45Å; I129-F132 WeakPolarHBondContact O-CB 3.47Å; I129-F132 PolarHBondContact O-N 2.85Å; I129-F132 VanDerWaalsContact O-N 3.11Å; I129-V255 HydrophobicContact CD1-CG1 3.89Å; I129-V255 HydrophobicContact CD1-CG2 4.47Å; I129-V255 HydrophobicContact CG1-CG1 3.85Å; I129-V255 HydrophobicContact CG1-CG2 4.42Å; I129-F311 HydrophobicContact CD1-CZ 4.33Å; I129-M315 HydrophobicContact CD1-CG 4.46Å; I129-M315 HydrophobicContact CD1-SD 3.92Å; I129-M315 HydrophobicContact CG2-SD 4.16Å; I129-V320 HydrophobicContact CG2-CG1 4.07Å; I129-V320 HydrophobicContact CG2-CG2 3.71Å; I129-L328 HydrophobicContact CG2-CD1 3.83Å; I129-L339 HydrophobicContact CG1-CD2 4.18Å
130P97.9Very high93.1Very high63 Ų6336.5 Ų36.541%0.40922%0.221SC..THydrogen-bonded Turntrans-57.2122.6-178.5-25.634.4000112.6S128 V338S128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-V338 HydrophobicContact CG-CG1 4.24Å; P130-V338 WeakPolarHBondContact CG-O 3.21Å
131G97.3Very high94Very high51 Ų5134.8 Ų34.853%0.52620%0.203SC..THydrogen-bonded Turntrans86.7-0.2177.900000115.4I129 N133 G319 V320I129-G131 PolarHBondContact O-N 3.19Å; I129-G131 VanDerWaalsContact O-N 3.17Å; G131-N133 PolarHBondContact O-N 2.93Å; G131-G319 CarbonylContact O-C 3.57Å; G131-V320 PolarHBondContact O-N 2.92Å
132F98.3Very high94.3Very high14 Ų1439.9 Ų39.96%0.06122%0.221CC..  trans-67.5116.9177.3-163.2-75.1000110.9L126 I129 I134 M315 Q318 V320L126-F132 HydrophobicContact CB-CD1 3.87Å; L126-F132 HydrophobicContact CB-CE1 3.9Å; L126-F132 HydrophobicContact CB-CG 4.23Å; L126-F132 HydrophobicContact CB-CZ 4.26Å; L126-F132 HydrophobicContact CD1-CE1 3.87Å; L126-F132 HydrophobicContact CD1-CZ 3.84Å; L126-F132 HydrophobicContact CD2-CD2 4.4Å; L126-F132 HydrophobicContact CD2-CE1 4.48Å; L126-F132 HydrophobicContact CD2-CE2 3.94Å; L126-F132 HydrophobicContact CD2-CZ 3.99Å; L126-F132 HydrophobicContact CG-CE1 4.31Å; L126-F132 HydrophobicContact CG-CZ 4.26Å; L126-F132 WeakPolarHBondContact O-CB 3.49Å; I129-F132 HydrophobicContact CB-CB 4.09Å; I129-F132 HydrophobicContact CD1-CD2 4.31Å; I129-F132 HydrophobicContact CG2-CB 4.45Å; I129-F132 WeakPolarHBondContact O-CB 3.47Å; I129-F132 PolarHBondContact O-N 2.85Å; I129-F132 VanDerWaalsContact O-N 3.11Å; F132-I134 HydrophobicContact CD1-CG2 3.8Å; F132-I134 HydrophobicContact CE1-CG2 3.94Å; F132-M315 HydrophobicContact CD2-CG 4.22Å; F132-M315 HydrophobicContact CE2-CG 4.17Å; F132-Q318 HydrophobicContact CE1-CB 4.25Å; F132-Q318 HydrophobicContact CE2-CB 4.27Å; F132-Q318 HydrophobicContact CZ-CB 4.06Å; F132-Q318 HydrophobicContact CZ-CG 4.36Å; F132-V320 HydrophobicContact CB-CG2 3.82Å; F132-V320 HydrophobicContact CD2-CG2 3.82Å; F132-V320 HydrophobicContact CG-CG2 4.25Å
133N96.5Very high94.4Very high67 Ų6743.2 Ų43.236%0.35824%0.242SC..  trans-99.8105.4-179.3-176.210000111.1G131 Q135 Q136 Q318G131-N133 PolarHBondContact O-N 2.93Å; N133-Q135 VanDerWaalsContact C-N 3.28Å; N133-Q135 VanDerWaalsContact CG-O 3.31Å; N133-Q135 PolarHBondContact ND2-O 3.22Å; N133-Q135 PolarHBondContact O-N 3.37Å; N133-Q135 PolarHBondContact OD1-N 2.74Å; N133-Q135 PolarHBondContact OD1-O 3.16Å; N133-Q135 VanDerWaalsContact OD1-O 3.09Å; N133-Q136 PolarHBondContact O-NE2 3.03Å; N133-Q318 WeakPolarHBondContact CA-O 3.44Å; N133-Q318 VanDerWaalsContact CB-O 3.23Å; N133-Q318 WeakPolarHBondContact CB-O 3.36Å; N133-Q318 PolarHBondContact N-O 3.25Å; N133-Q318 PolarHBondContact O-NE2 3.34Å
134I93.5Very high94.6Very high9 Ų943.4 Ų43.45%0.04624%0.242CC..  trans-77.9-7.8176.761.7162.1000113.7L123 E127 F132 V153 G154L123-I134 HydrophobicContact CB-CD1 4.28Å; L123-I134 HydrophobicContact CB-CG2 4.47Å; L123-I134 HydrophobicContact CD1-CD1 4.25Å; L123-I134 HydrophobicContact CD2-CB 4.19Å; L123-I134 HydrophobicContact CD2-CG2 4Å; E127-I134 HydrophobicContact CG-CD1 4.3Å; E127-I134 HydrophobicContact CG-CG1 4.49Å; E127-I134 HydrophobicContact CG-CG2 4.05Å; E127-I134 WeakPolarHBondContact OE1-CD1 3.4Å; F132-I134 HydrophobicContact CD1-CG2 3.8Å; F132-I134 HydrophobicContact CE1-CG2 3.94Å; I134-V153 CarbonylContact O-C 3.51Å; I134-V153 VanDerWaalsContact O-CA 3.32Å; I134-V153 WeakPolarHBondContact O-CA 3.26Å; I134-V153 WeakPolarHBondContact O-CB 3.32Å; I134-G154 PolarHBondContact O-N 3.21Å
135Q91.5Very high94.9Very high136 Ų13643.1 Ų43.164%0.63624%0.241SC*.  trans-105.3115178.8-63.7-176-000109.9N133N133-Q135 VanDerWaalsContact C-N 3.28Å; N133-Q135 VanDerWaalsContact CG-O 3.31Å; N133-Q135 PolarHBondContact ND2-O 3.22Å; N133-Q135 PolarHBondContact O-N 3.37Å; N133-Q135 PolarHBondContact OD1-N 2.74Å; N133-Q135 PolarHBondContact OD1-O 3.16Å; N133-Q135 VanDerWaalsContact OD1-O 3.09Å
136Q90.4Very high94.9Very high15 Ų1545.8 Ų45.87%0.0726%0.263CS..  trans-132.4142179.7-57.7-64.8-28.900109.2N133 Q140 I141 I144 V153N133-Q136 PolarHBondContact O-NE2 3.03Å; Q136-Q140 HydrophobicContact CB-CB 4.13Å; Q136-I141 HydrophobicContact CB-CD1 4.35Å; Q136-I141 HydrophobicContact CB-CG1 3.72Å; Q136-I144 HydrophobicContact CG-CD1 4.21Å; Q136-V153 HydrophobicContact CB-CG1 3.94Å; Q136-V153 HydrophobicContact CG-CG1 3.68Å
137S88.5Confident94.9Very high52 Ų5249.8 Ų49.836%0.36429%0.291SS..  trans-71.7162.4168.975.90000110.8D139 Q140 I141S137-D139 PolarHBondContact O-N 3.36Å; S137-Q140 PolarHBondContact O-N 2.95Å; S137-Q140 VanDerWaalsContact O-N 3.12Å; S137-Q140 WeakPolarHBondContact OG-CG 3.27Å; S137-Q140 PolarHBondContact OG-N 2.74Å; S137-Q140 PolarHBondContact OG-OE1 2.76Å; S137-I141 WeakPolarHBondContact O-CG1 3.42Å; S137-I141 PolarHBondContact O-N 3.04Å
138A86.1Confident95Very high42 Ų4247.4 Ų47.435%0.34728%0.28SS..Hα-helixtrans-56.6-37.6176.400000112.7I141 R142A138-I141 PolarHBondContact O-N 3.35Å; A138-R142 WeakPolarHBondContact O-CB 3.29Å; A138-R142 PolarHBondContact O-N 3.43Å
139D89.9Confident95.1Very high90 Ų9047.1 Ų47.148%0.48128%0.279SS..Hα-helixtrans-69.5-37.7177-75.6-33.6000112.7S137 R142 T143S137-D139 PolarHBondContact O-N 3.36Å; D139-R142 PolarHBondContact O-N 3.09Å; D139-R142 IonicContact OD1-CZ 2.67Å; D139-R142 IonicContact OD1-NH1 3.9Å; D139-R142 PolarHBondContact OD1-NH1 2.89Å; D139-R142 IonicContact OD1-NH2 3.81Å; D139-R142 PolarHBondContact OD1-NH2 3.48Å; D139-T143 WeakPolarHBondContact O-CB 3.48Å; D139-T143 PolarHBondContact O-N 3.45Å; D139-T143 PolarHBondContact O-OG1 2.76Å
140Q93.8Very high95.1Very high91 Ų9147 Ų4743%0.42528%0.279SS..Hα-helixtrans-65-46.4173.6-73.6170.7-45.100110.5Q136 S137 R142 T143 I144Q136-Q140 HydrophobicContact CB-CB 4.13Å; S137-Q140 PolarHBondContact O-N 2.95Å; S137-Q140 VanDerWaalsContact O-N 3.12Å; S137-Q140 WeakPolarHBondContact OG-CG 3.27Å; S137-Q140 PolarHBondContact OG-N 2.74Å; S137-Q140 PolarHBondContact OG-OE1 2.76Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.16Å; Q140-T143 WeakPolarHBondContact O-CB 3.4Å; Q140-T143 PolarHBondContact O-N 3.09Å; Q140-I144 VanDerWaalsContact O-CG1 3.27Å; Q140-I144 WeakPolarHBondContact O-CG1 3.43Å; Q140-I144 PolarHBondContact O-N 3.27Å
141I94.2Very high95.1Very high2 Ų244 Ų441%0.0126%0.259CS..Hα-helixtrans-55.6-49.4174.9-66.8168.8000110.1M70 W72 Q136 S137 A138 T143 I144 L145 V153M70-I141 HydrophobicContact CE-CD1 3.73Å; W72-I141 HydrophobicContact CH2-CG2 3.72Å; W72-I141 HydrophobicContact CZ3-CG2 4.34Å; Q136-I141 HydrophobicContact CB-CD1 4.35Å; Q136-I141 HydrophobicContact CB-CG1 3.72Å; S137-I141 WeakPolarHBondContact O-CG1 3.42Å; S137-I141 PolarHBondContact O-N 3.04Å; A138-I141 PolarHBondContact O-N 3.35Å; I141-T143 VanDerWaalsContact C-N 3.27Å; I141-T143 PolarHBondContact O-N 2.76Å; I141-I144 PolarHBondContact O-N 3.45Å; I141-L145 HydrophobicContact CG2-CD1 3.81Å; I141-L145 HydrophobicContact CG2-CG 4.23Å; I141-L145 WeakPolarHBondContact O-CB 3.46Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.2Å; I141-L145 PolarHBondContact O-N 3.22Å; I141-V153 HydrophobicContact CD1-CG1 4.48Å; I141-V153 HydrophobicContact CD1-CG2 4.06Å; I141-V153 HydrophobicContact CG1-CG1 4.33Å
142R94.4Very high95.1Very high111 Ų11141.6 Ų41.642%0.41923%0.234SC..Hα-helixtrans-56.5-42176.7-173.2177.568.1-126.4-6.7111.9W72 W76 A138 D139 Q140 A146W72-R142 HydrophobicContact CZ3-CB 4.32Å; W76-R142 HydrophobicContact CH2-CG 4.28Å; W76-R142 WeakPolarHBondContact CH2-O 3.48Å; W76-R142 HydrophobicContact CZ3-CG 4.32Å; A138-R142 WeakPolarHBondContact O-CB 3.29Å; A138-R142 PolarHBondContact O-N 3.43Å; D139-R142 PolarHBondContact O-N 3.09Å; D139-R142 IonicContact OD1-CZ 2.67Å; D139-R142 IonicContact OD1-NH1 3.9Å; D139-R142 PolarHBondContact OD1-NH1 2.89Å; D139-R142 IonicContact OD1-NH2 3.81Å; D139-R142 PolarHBondContact OD1-NH2 3.48Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.16Å; R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 2.96Å
143T96.9Very high94.8Very high88 Ų8841 Ų4154%0.5423%0.231SC..Hα-helixtrans-65.5-45.1178.9-57.10000111.8D139 Q140 I141 A146 S147D139-T143 WeakPolarHBondContact O-CB 3.48Å; D139-T143 PolarHBondContact O-N 3.45Å; D139-T143 PolarHBondContact O-OG1 2.76Å; Q140-T143 WeakPolarHBondContact O-CB 3.4Å; Q140-T143 PolarHBondContact O-N 3.09Å; I141-T143 VanDerWaalsContact C-N 3.27Å; I141-T143 PolarHBondContact O-N 2.76Å; T143-A146 WeakPolarHBondContact O-CB 3.41Å; T143-A146 PolarHBondContact O-N 3.23Å; T143-S147 PolarHBondContact O-N 3.44Å; T143-S147 PolarHBondContact O-OG 2.99Å
144I98.3Very high94.3Very high8 Ų838.1 Ų38.14%0.04122%0.218CC..Hα-helixtrans-64.6-43.1178.4-61.8165.2000110.5Q136 Q140 I141 A146 S147 V148 G149 C150 C151 A317 Q318Q136-I144 HydrophobicContact CG-CD1 4.21Å; Q140-I144 VanDerWaalsContact O-CG1 3.27Å; Q140-I144 WeakPolarHBondContact O-CG1 3.43Å; Q140-I144 PolarHBondContact O-N 3.27Å; I141-I144 PolarHBondContact O-N 3.45Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 2.91Å; I144-S147 PolarHBondContact O-N 3.11Å; I144-S147 PolarHBondContact O-OG 2.81Å; I144-V148 HydrophobicContact CG2-CB 4.19Å; I144-V148 HydrophobicContact CG2-CG2 4.12Å; I144-V148 WeakPolarHBondContact O-CA 3.4Å; I144-V148 VanDerWaalsContact O-CB 3.31Å; I144-V148 WeakPolarHBondContact O-CB 3.39Å; I144-V148 PolarHBondContact O-N 3.45Å; I144-G149 PolarHBondContact O-N 3.48Å; I144-C150 WeakPolarHBondContact CG2-O 3.24Å; I144-C151 HydrophobicContact CB-CB 4.47Å; I144-C151 HydrophobicContact CG2-CB 3.85Å; I144-A317 HydrophobicContact CG1-CB 4.02Å; I144-A317 HydrophobicContact CG2-CB 4.06Å; I144-Q318 HydrophobicContact CD1-CG 3.97Å
145L98.2Very high93.5Very high0 Ų040.2 Ų40.20%023%0.227CC..Hα-helixtrans-65.6-33.6176.8-66.1175.9000112.2W72 W76 M80 K107 V108 P109 I141 G149W72-L145 HydrophobicContact CE3-CD1 4.35Å; W72-L145 HydrophobicContact CH2-CD1 3.62Å; W72-L145 HydrophobicContact CZ2-CD1 4.2Å; W72-L145 HydrophobicContact CZ3-CD1 3.71Å; W76-L145 HydrophobicContact CH2-CB 4.12Å; W76-L145 HydrophobicContact CZ3-CB 3.71Å; W76-L145 HydrophobicContact CZ3-CD1 4.5Å; M80-L145 HydrophobicContact CE-CD1 4.33Å; K107-L145 WeakPolarHBondContact CD-O 3.32Å; K107-L145 WeakPolarHBondContact CE-O 3.22Å; K107-L145 PolarHBondContact NZ-O 3Å; V108-L145 WeakPolarHBondContact O-CD2 3.39Å; P109-L145 HydrophobicContact CB-CD1 3.83Å; I141-L145 HydrophobicContact CG2-CD1 3.81Å; I141-L145 HydrophobicContact CG2-CG 4.23Å; I141-L145 WeakPolarHBondContact O-CB 3.46Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.2Å; I141-L145 PolarHBondContact O-N 3.22Å; L145-G149 VanDerWaalsContact O-CA 3.29Å; L145-G149 WeakPolarHBondContact O-CA 3.37Å; L145-G149 PolarHBondContact O-N 3.38Å
146A97.8Very high92.6Very high57 Ų5735.4 Ų35.447%0.47121%0.207SC..Hα-helixtrans-63-47.3175.600000111.6W76 R142 T143 I144W76-A146 HydrophobicContact CH2-CB 3.69Å; W76-A146 HydrophobicContact CZ2-CB 3.76Å; R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 2.96Å; T143-A146 WeakPolarHBondContact O-CB 3.41Å; T143-A146 PolarHBondContact O-N 3.23Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 2.91Å
147S97.4Very high91.5Very high84 Ų8442.5 Ų42.559%0.58724%0.24SC*.Hα-helixtrans-87.7-45-173.159.10000113.7T143 I144T143-S147 PolarHBondContact O-N 3.44Å; T143-S147 PolarHBondContact O-OG 2.99Å; I144-S147 PolarHBondContact O-N 3.11Å; I144-S147 PolarHBondContact O-OG 2.81Å
148V98.4Very high90.7Very high6 Ų644.4 Ų44.44%0.03624%0.244CC..THydrogen-bonded Turntrans-96-48.5-175.5-1740000110.7I144 K310 A313 M314 A317I144-V148 HydrophobicContact CG2-CB 4.19Å; I144-V148 HydrophobicContact CG2-CG2 4.12Å; I144-V148 WeakPolarHBondContact O-CA 3.4Å; I144-V148 VanDerWaalsContact O-CB 3.31Å; I144-V148 WeakPolarHBondContact O-CB 3.39Å; I144-V148 PolarHBondContact O-N 3.45Å; V148-K310 HydrophobicContact CG1-CD 4.44Å; V148-K310 VanDerWaalsContact O-CD 3.27Å; V148-K310 WeakPolarHBondContact O-CD 3.45Å; V148-K310 WeakPolarHBondContact O-CE 3.21Å; V148-K310 PolarHBondContact O-NZ 2.92Å; V148-A313 HydrophobicContact CG1-CB 4.02Å; V148-A313 HydrophobicContact CG2-CB 4.04Å; V148-M314 HydrophobicContact CG1-CB 4.06Å; V148-A317 HydrophobicContact CG2-CB 3.91Å
149G98.5Very high90.3Very high2 Ų242.9 Ų42.92%0.02123%0.231CC..SBendtrans100.6-11.5-175.400000114.6K107 V108 I144 L145K107-G149 CarbonylContact C-O 3.55Å; K107-G149 VanDerWaalsContact CA-O 3.27Å; K107-G149 WeakPolarHBondContact CA-O 3.38Å; V108-G149 PolarHBondContact N-O 3.07Å; I144-G149 PolarHBondContact O-N 3.48Å; L145-G149 VanDerWaalsContact O-CA 3.29Å; L145-G149 WeakPolarHBondContact O-CA 3.37Å; L145-G149 PolarHBondContact O-N 3.38Å
150C98.8Very high90Very high0 Ų038.8 Ų38.80%021%0.209CC..EExtended strand (participates in β ladder)trans-144.2153.4172.659.40000111.6A98 A102 V108 I144 M314A98-C150 HydrophobicContact CB-CB 4.31Å; A102-C150 HydrophobicContact CB-CB 3.85Å; V108-C150 HydrophobicContact CB-CB 3.83Å; V108-C150 HydrophobicContact CG2-CB 4.34Å; V108-C150 WeakPolarHBondContact O-CA 3.31Å; I144-C150 WeakPolarHBondContact CG2-O 3.24Å; C150-M314 HydrophobicContact CB-SD 4.47Å
151C98Very high89.7Confident0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-147.8157165.561.30000109.4V108 M110 I144 V153V108-C151 PolarHBondContact O-N 3.37Å; M110-C151 WeakPolarHBondContact CB-O 3.38Å; M110-C151 PolarHBondContact N-O 3.21Å; M110-C151 VanDerWaalsContact N-O 3.12Å; I144-C151 HydrophobicContact CB-CB 4.47Å; I144-C151 HydrophobicContact CG2-CB 3.85Å; C151-V153 HydrophobicContact CB-CG1 4.46Å
152I97.4Very high89.6Confident0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-124.2116.9171.4-57.2174.9000108.3A98 M110 T122 L123 L126 M314 Q318A98-I152 HydrophobicContact CB-CD1 4.16Å; A98-I152 HydrophobicContact CB-CG1 4.33Å; M110-I152 HydrophobicContact CB-CG1 4.25Å; M110-I152 WeakPolarHBondContact O-CA 3.43Å; M110-I152 HydrophobicContact SD-CD1 4.18Å; M110-I152 HydrophobicContact SD-CG1 4.03Å; M110-I152 HydrophobicContact SD-CG2 4.36Å; T122-I152 HydrophobicContact CG2-CD1 4.41Å; T122-I152 HydrophobicContact CG2-CG2 4.14Å; L123-I152 HydrophobicContact CD2-CG2 4.01Å; L126-I152 HydrophobicContact CD1-CB 3.65Å; L126-I152 HydrophobicContact CD1-CD1 3.96Å; L126-I152 HydrophobicContact CD1-CG1 4.38Å; L126-I152 HydrophobicContact CD1-CG2 3.57Å; I152-M314 HydrophobicContact CD1-CE 4.23Å; I152-M314 HydrophobicContact CG1-CE 4.46Å; I152-M314 HydrophobicContact CG1-SD 4.21Å; I152-Q318 VanDerWaalsContact N-OE1 3.1Å; I152-Q318 PolarHBondContact O-NE2 3.19Å
153V93.3Very high89.4Confident1 Ų130 Ų301%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-130.2158.2-172.6-61.30000111.6M110 I111 S112 I134 Q136 I141 C151M110-V153 PolarHBondContact O-N 2.84Å; I111-V153 WeakPolarHBondContact CA-O 3.28Å; I111-V153 HydrophobicContact CG1-CG2 4.21Å; S112-V153 PolarHBondContact N-O 3.33Å; I134-V153 CarbonylContact O-C 3.51Å; I134-V153 VanDerWaalsContact O-CA 3.32Å; I134-V153 WeakPolarHBondContact O-CA 3.26Å; I134-V153 WeakPolarHBondContact O-CB 3.32Å; Q136-V153 HydrophobicContact CB-CG1 3.94Å; Q136-V153 HydrophobicContact CG-CG1 3.68Å; I141-V153 HydrophobicContact CD1-CG1 4.48Å; I141-V153 HydrophobicContact CD1-CG2 4.06Å; I141-V153 HydrophobicContact CG1-CG1 4.33Å; C151-V153 HydrophobicContact CB-CG1 4.46Å
154G85.8Confident88.9Confident7 Ų731.2 Ų31.27%0.07217%0.169CC..  trans-82.7168.917100000113.3I134I134-G154 PolarHBondContact O-N 3.21Å
155Q76.9Confident88.5Confident53 Ų5332.3 Ų32.325%0.24818%0.176CC..  trans-62.9140.3167.7-60.7169.319.200109.7I111 K189I111-Q155 HydrophobicContact CG2-CG 4.03Å; Q155-K189 HydrophobicContact CG-CD 4.18Å; Q155-K189 VanDerWaalsContact NE2-CD 3.28Å
156T70.9Confident88.2Confident34 Ų3432.4 Ų32.421%0.20918%0.177CC..  trans-111.2167.2173.967.10000110M158 L159T156-M158 PolarHBondContact O-N 3.07Å; T156-M158 VanDerWaalsContact O-N 3.13Å; T156-M158 PolarHBondContact OG1-N 3.45Å; T156-L159 HydrophobicContact CG2-CD1 4.41Å; T156-L159 PolarHBondContact O-N 3.27Å; T156-L159 WeakPolarHBondContact OG1-CG 3.29Å; T156-L159 PolarHBondContact OG1-N 3.41Å
157E67.7Low87.6Confident164 Ų16432.6 Ų32.677%0.76617%0.165SC*.THydrogen-bonded Turntrans-59.4-23.1174.2-64.8-166.9154.200113
158M72.8Confident86.9Confident92 Ų9231.3 Ų31.345%0.45316%0.16SC..THydrogen-bonded Turntrans-86.7-25.4-179.3-54.8-158.7-54.400112.5G67 E68 T156G67-M158 CarbonylContact C-O 3.47Å; G67-M158 VanDerWaalsContact CA-O 3.3Å; G67-M158 WeakPolarHBondContact CA-O 3.33Å; E68-M158 HydrophobicContact CB-CB 4.49Å; E68-M158 HydrophobicContact CG-CB 4.09Å; E68-M158 PolarHBondContact N-O 3.24Å; E68-M158 WeakPolarHBondContact OE2-CE 3.5Å; T156-M158 PolarHBondContact O-N 3.07Å; T156-M158 VanDerWaalsContact O-N 3.13Å; T156-M158 PolarHBondContact OG1-N 3.45Å
159L77.3Confident86.6Confident11 Ų1132.3 Ų32.36%0.05817%0.165CC..SBendtrans-101.9109.2-173.7-64.9168.4000110.9E68 M70 I111 T156E68-L159 HydrophobicContact CB-CD2 4.23Å; E68-L159 WeakPolarHBondContact O-CD2 3.25Å; M70-L159 HydrophobicContact CE-CD1 3.4Å; M70-L159 VanDerWaalsContact CE-CD1 3.4Å; M70-L159 HydrophobicContact CE-CD2 3.88Å; M70-L159 HydrophobicContact CE-CG 4.31Å; M70-L159 HydrophobicContact CG-CD2 4.21Å; I111-L159 HydrophobicContact CD1-CD1 4.1Å; T156-L159 HydrophobicContact CG2-CD1 4.41Å; T156-L159 PolarHBondContact O-N 3.27Å; T156-L159 WeakPolarHBondContact OG1-CG 3.29Å; T156-L159 PolarHBondContact OG1-N 3.41Å
160V83.3Confident86.1Confident3 Ų332.7 Ų32.72%0.01817%0.166CC..  trans55.554.1176.2-159.50000113.7M63 A162 D163 R164 K189 A192M63-V160 WeakPolarHBondContact O-CG1 3.21Å; V160-A162 VanDerWaalsContact C-N 3.28Å; V160-A162 PolarHBondContact O-N 3.42Å; V160-D163 HydrophobicContact CB-CB 4.38Å; V160-D163 HydrophobicContact CG1-CB 3.49Å; V160-D163 VanDerWaalsContact CG1-CB 3.49Å; V160-D163 PolarHBondContact O-N 3.09Å; V160-D163 VanDerWaalsContact O-N 3.15Å; V160-R164 PolarHBondContact O-N 2.7Å; V160-K189 HydrophobicContact CB-CG 4.45Å; V160-K189 HydrophobicContact CG1-CG 4.43Å; V160-K189 HydrophobicContact CG2-CG 4.44Å; V160-A192 HydrophobicContact CG2-CB 3.46Å; V160-A192 VanDerWaalsContact CG2-CB 3.46Å
161P87.9Confident85.2Confident20 Ų2036.1 Ų36.113%0.1318%0.184CC..Hα-helixtrans-60.8-30.8-175.425-36000114.2T30 S66 R164 V165T30-P161 HydrophobicContact CG2-CB 4.39Å; T30-P161 HydrophobicContact CG2-CG 3.89Å; S66-P161 WeakPolarHBondContact O-CG 3.46Å; S66-P161 WeakPolarHBondContact OG-CD 2.89Å; P161-R164 PolarHBondContact O-N 3.44Å; P161-V165 PolarHBondContact O-N 2.76Å
162A91.8Very high84.6Confident0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-61.3-45.9175.600000111.7I26 M63 S66 V160 R164 V165 L166I26-A162 HydrophobicContact CG2-CB 3.75Å; M63-A162 HydrophobicContact CG-CB 4.34Å; S66-A162 WeakPolarHBondContact OG-CB 3.32Å; S66-A162 PolarHBondContact OG-N 2.96Å; V160-A162 VanDerWaalsContact C-N 3.28Å; V160-A162 PolarHBondContact O-N 3.42Å; A162-R164 VanDerWaalsContact C-N 3.32Å; A162-R164 PolarHBondContact O-N 3.05Å; A162-V165 PolarHBondContact O-N 3.3Å; A162-L166 WeakPolarHBondContact O-CG 3.29Å; A162-L166 PolarHBondContact O-N 2.94Å
163D90.1Very high84.1Confident1 Ų142.1 Ų42.11%0.00523%0.229CC..Hα-helixtrans-61.1-42.1178.7-177.359.1000111.1M63 V160 V165 L166 Y167 S185 K189M63-D163 HydrophobicContact CE-CB 3.54Å; M63-D163 VanDerWaalsContact CE-OD1 3.27Å; M63-D163 WeakPolarHBondContact CE-OD1 3.43Å; V160-D163 HydrophobicContact CB-CB 4.38Å; V160-D163 HydrophobicContact CG1-CB 3.49Å; V160-D163 VanDerWaalsContact CG1-CB 3.49Å; V160-D163 PolarHBondContact O-N 3.09Å; V160-D163 VanDerWaalsContact O-N 3.15Å; D163-V165 VanDerWaalsContact C-N 3.27Å; D163-V165 PolarHBondContact O-N 3.2Å; D163-L166 PolarHBondContact O-N 2.93Å; D163-Y167 WeakPolarHBondContact O-CA 3.2Å; D163-Y167 WeakPolarHBondContact O-CB 3.16Å; D163-Y167 PolarHBondContact O-N 2.92Å; D163-S185 WeakPolarHBondContact OD1-CA 3.37Å; D163-S185 WeakPolarHBondContact OD1-CB 3.35Å; D163-S185 PolarHBondContact OD1-OG 2.62Å; D163-S185 PolarHBondContact OD2-OG 2.82Å; D163-K189 IonicContact OD1-NZ 3.35Å; D163-K189 WeakPolarHBondContact OD2-CD 3.45Å; D163-K189 IonicContact OD2-NZ 2.77Å; D163-K189 PolarHBondContact OD2-NZ 3.21Å
164R85.8Confident83.8Confident112 Ų11246.5 Ų46.542%0.42326%0.26SS..Hα-helixtrans-54.6-43.5178.2-169.9-173.96882.8-0112.3V160 P161 A162 A168V160-R164 PolarHBondContact O-N 2.7Å; P161-R164 PolarHBondContact O-N 3.44Å; A162-R164 VanDerWaalsContact C-N 3.32Å; A162-R164 PolarHBondContact O-N 3.05Å; R164-A168 WeakPolarHBondContact O-CB 3.37Å; R164-A168 PolarHBondContact O-N 3.17Å
165V89.9Confident84.1Confident31 Ų3146.1 Ų46.119%0.18826%0.256CS..Hα-helixtrans-70.1-50.7178.3178.20000110.9V29 I39 P161 A162 D163 Y167 A168 L169V29-V165 HydrophobicContact CG1-CB 3.82Å; V29-V165 HydrophobicContact CG1-CG1 3.78Å; V29-V165 HydrophobicContact CG1-CG2 4.48Å; I39-V165 HydrophobicContact CD1-CG1 3.98Å; P161-V165 PolarHBondContact O-N 2.76Å; A162-V165 PolarHBondContact O-N 3.3Å; D163-V165 VanDerWaalsContact C-N 3.27Å; D163-V165 PolarHBondContact O-N 3.2Å; V165-Y167 VanDerWaalsContact C-N 3.33Å; V165-Y167 PolarHBondContact O-N 2.63Å; V165-A168 PolarHBondContact O-N 2.79Å; V165-L169 HydrophobicContact CG1-CD1 4.09Å; V165-L169 PolarHBondContact O-N 2.79Å; V165-L169 VanDerWaalsContact O-N 3.1Å
166L92.6Very high84.4Confident3 Ų345.5 Ų45.52%0.01626%0.256CS..Hα-helixtrans-62.2-40.8-179.2-64.6-178.7000111.8F25 I26 V29 I39 L43 M63 A162 D163 L169 R170F25-L166 HydrophobicContact CZ-CD2 3.93Å; I26-L166 HydrophobicContact CD1-CD1 3.98Å; V29-L166 HydrophobicContact CG1-CD2 4.07Å; V29-L166 HydrophobicContact CG1-CG 4.23Å; V29-L166 HydrophobicContact CG2-CD2 4.05Å; I39-L166 HydrophobicContact CG2-CD2 3.56Å; L43-L166 HydrophobicContact CD2-CD2 4.24Å; M63-L166 HydrophobicContact CE-CD1 4.12Å; M63-L166 HydrophobicContact SD-CD1 4.06Å; A162-L166 WeakPolarHBondContact O-CG 3.29Å; A162-L166 PolarHBondContact O-N 2.94Å; D163-L166 PolarHBondContact O-N 2.93Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-R170 WeakPolarHBondContact O-CB 3.06Å; L166-R170 WeakPolarHBondContact O-CG 3.35Å; L166-R170 PolarHBondContact O-N 2.79Å
167Y84.8Confident85Confident60 Ų6047.9 Ų47.924%0.23527%0.267CS..Hα-helixtrans-63.7-45.5179.9-171.1-94.3000111.9L116 D163 V165 L169 R170 D171L116-Y167 HydrophobicContact CD1-CE1 3.68Å; L116-Y167 HydrophobicContact CD1-CE2 3.76Å; L116-Y167 WeakPolarHBondContact CD1-OH 3.36Å; L116-Y167 HydrophobicContact CD2-CE1 3.76Å; L116-Y167 HydrophobicContact CG-CE1 3.84Å; L116-Y167 WeakPolarHBondContact CG-OH 3.49Å; D163-Y167 WeakPolarHBondContact O-CA 3.2Å; D163-Y167 WeakPolarHBondContact O-CB 3.16Å; D163-Y167 PolarHBondContact O-N 2.92Å; V165-Y167 VanDerWaalsContact C-N 3.33Å; V165-Y167 PolarHBondContact O-N 2.63Å; Y167-L169 PolarHBondContact O-N 2.84Å; Y167-R170 PolarHBondContact O-N 2.85Å; Y167-D171 PolarHBondContact O-N 3.05Å
168A83.9Confident86.1Confident58 Ų5840.3 Ų40.348%0.47923%0.233SC..Hα-helixtrans-62.4-42.5175.500000112R164 V165 A172R164-A168 WeakPolarHBondContact O-CB 3.37Å; R164-A168 PolarHBondContact O-N 3.17Å; V165-A168 PolarHBondContact O-N 2.79Å; A168-A172 PolarHBondContact O-N 3.15Å
169L90.1Very high87Confident26 Ų2638.1 Ų38.114%0.13622%0.223CC..Hα-helixtrans-73.9-29178.9-71173.4000112.8D36 I39 L43 V165 L166 Y167 D171 A172 T173D36-L169 HydrophobicContact CB-CD1 4.38Å; D36-L169 HydrophobicContact CB-CD2 4.12Å; I39-L169 HydrophobicContact CB-CD1 3.65Å; I39-L169 HydrophobicContact CD1-CD1 3.78Å; I39-L169 HydrophobicContact CG1-CD1 4.3Å; I39-L169 HydrophobicContact CG2-CD1 3.49Å; I39-L169 VanDerWaalsContact CG2-CD1 3.49Å; L43-L169 HydrophobicContact CD1-CB 3.87Å; V165-L169 HydrophobicContact CG1-CD1 4.09Å; V165-L169 PolarHBondContact O-N 2.79Å; V165-L169 VanDerWaalsContact O-N 3.1Å; L166-L169 PolarHBondContact O-N 2.9Å; Y167-L169 PolarHBondContact O-N 2.84Å; L169-D171 VanDerWaalsContact C-N 3.35Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-T173 VanDerWaalsContact O-CB 3.31Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 VanDerWaalsContact O-CG2 3.26Å; L169-T173 WeakPolarHBondContact O-CG2 3.5Å; L169-T173 PolarHBondContact O-N 3.08Å; L169-T173 PolarHBondContact O-OG1 2.94Å
170R88.8Confident87.9Confident10 Ų1038 Ų384%0.03822%0.223CC..Hα-helixtrans-61-44.8173.9-80.7166.463.2-144.1-3112.1L43 L166 Y167 T173 S174 T175 V176 L181 S185L43-R170 HydrophobicContact CD1-CG 3.95Å; L43-R170 HydrophobicContact CD2-CG 3.89Å; L43-R170 HydrophobicContact CG-CG 4.49Å; L166-R170 WeakPolarHBondContact O-CB 3.06Å; L166-R170 WeakPolarHBondContact O-CG 3.35Å; L166-R170 PolarHBondContact O-N 2.79Å; Y167-R170 PolarHBondContact O-N 2.85Å; R170-T173 PolarHBondContact O-N 2.84Å; R170-S174 PolarHBondContact O-N 3.41Å; R170-T175 WeakPolarHBondContact CA-OG1 3.32Å; R170-T175 PolarHBondContact O-N 2.85Å; R170-V176 HydrophobicContact CB-CG2 4.17Å; R170-V176 PolarHBondContact NH2-O 2.95Å; R170-L181 HydrophobicContact CG-CD1 4.29Å; R170-S185 PolarHBondContact NH1-OG 2.84Å
171D81Confident88.4Confident72 Ų7238.2 Ų38.239%0.38522%0.223SC..Hα-helixtrans-60.9-46.5175.9-170.658.8000111.1Y167 L169 T173 V176Y167-D171 PolarHBondContact O-N 3.05Å; L169-D171 VanDerWaalsContact C-N 3.35Å; D171-T173 VanDerWaalsContact C-N 3.3Å; D171-T173 PolarHBondContact O-N 2.98Å; D171-V176 HydrophobicContact CB-CG2 4.46Å
172A83.8Confident88.6Confident81 Ų8137.6 Ų37.667%0.66922%0.219SC*.Hα-helixtrans-72.1-17.3-179.500000114.9A168 L169A168-A172 PolarHBondContact O-N 3.15Å; L169-A172 PolarHBondContact O-N 3.12Å
173T88.3Confident88.8Confident46 Ų4637.6 Ų37.628%0.28222%0.219SC..THydrogen-bonded Turntrans-1158.1-173.859.60000114.2L169 R170 D171 T175L169-T173 VanDerWaalsContact O-CB 3.31Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 VanDerWaalsContact O-CG2 3.26Å; L169-T173 WeakPolarHBondContact O-CG2 3.5Å; L169-T173 PolarHBondContact O-N 3.08Å; L169-T173 PolarHBondContact O-OG1 2.94Å; R170-T173 PolarHBondContact O-N 2.84Å; D171-T173 VanDerWaalsContact C-N 3.3Å; D171-T173 PolarHBondContact O-N 2.98Å; T173-T175 VanDerWaalsContact C-N 3.29Å; T173-T175 PolarHBondContact O-N 2.88Å; T173-T175 PolarHBondContact OG1-OG1 3.13Å
174S86.1Confident89Confident92 Ų9237.6 Ų37.664%0.64322%0.219SC*.THydrogen-bonded Turntrans56.142.5-176.8-171.30000112.6R170R170-S174 PolarHBondContact O-N 3.41Å
175T91.3Very high89.2Confident0 Ų032.4 Ų32.40%020%0.2CC..  trans-120.522.2177.656.60000112.5L43 M44 W47 R170 T173L43-T175 HydrophobicContact CB-CG2 4.26Å; M44-T175 HydrophobicContact CB-CG2 4.42Å; M44-T175 HydrophobicContact CE-CG2 3.66Å; M44-T175 HydrophobicContact SD-CG2 4.42Å; W47-T175 HydrophobicContact CB-CG2 4.07Å; W47-T175 HydrophobicContact CG-CG2 4.33Å; R170-T175 WeakPolarHBondContact CA-OG1 3.32Å; R170-T175 PolarHBondContact O-N 2.85Å; T173-T175 VanDerWaalsContact C-N 3.29Å; T173-T175 PolarHBondContact O-N 2.88Å; T173-T175 PolarHBondContact OG1-OG1 3.13Å
176V84.4Confident89.4Confident40 Ų4031.5 Ų31.524%0.24219%0.194CC..  trans-67-44.5178.6176.70000111.3R170 D171 S178 I182R170-V176 HydrophobicContact CB-CG2 4.17Å; R170-V176 PolarHBondContact NH2-O 2.95Å; D171-V176 HydrophobicContact CB-CG2 4.46Å; V176-S178 PolarHBondContact O-N 3.33Å; V176-I182 WeakPolarHBondContact O-CD1 3.41Å; V176-I182 WeakPolarHBondContact O-CG1 3.36Å
177D84Confident89.5Confident83 Ų8331.3 Ų31.344%0.44419%0.193SC..SBendtrans-79.540-174.263.4-25.4000113.7W47 L209W47-D177 PolarHBondContact NE1-OD1 2.63Å; D177-L209 HydrophobicContact CB-CD1 4.25Å
178S90.4Very high89.9Confident6 Ų628.5 Ų28.54%0.04218%0.182CC..  trans-107.8115.6174.5173.60000110.6V176 P180 L181 I182V176-S178 PolarHBondContact O-N 3.33Å; S178-P180 WeakPolarHBondContact OG-CD 3.27Å; S178-P180 WeakPolarHBondContact OG-CG 3.4Å; S178-L181 PolarHBondContact O-N 3.34Å; S178-L181 VanDerWaalsContact O-N 3.08Å; S178-I182 WeakPolarHBondContact O-CB 3.48Å; S178-I182 WeakPolarHBondContact O-CD1 3.43Å; S178-I182 WeakPolarHBondContact O-CG1 3.08Å; S178-I182 PolarHBondContact O-N 2.79Å
179L91.5Very high90.2Very high46 Ų4626.3 Ų26.324%0.24116%0.162CC..Hα-helixtrans-48.6-49.4180-145.7173.7000113.7T183 L219 L222L179-T183 WeakPolarHBondContact O-CB 3.19Å; L179-T183 PolarHBondContact O-N 3.01Å; L179-T183 PolarHBondContact O-OG1 3.27Å; L179-L219 HydrophobicContact CD2-CD1 3.92Å; L179-L219 HydrophobicContact CG-CD1 4.11Å; L179-L222 HydrophobicContact CD2-CB 3.89Å; L179-L222 HydrophobicContact CD2-CD2 3.16Å; L179-L222 HydrophobicContact CD2-CG 4.12Å
180P95.2Very high90.4Very high9 Ų925.1 Ų25.16%0.05816%0.155CC..Hα-helixtrans-65.8-38.8176.725.8-36.1000113.7I46 M51 I56 S178 T183 G184I46-P180 HydrophobicContact CG2-CB 4.47Å; I46-P180 HydrophobicContact CG2-CG 3.78Å; M51-P180 HydrophobicContact CB-CB 3.77Å; M51-P180 HydrophobicContact CB-CG 4.22Å; M51-P180 HydrophobicContact CG-CB 4.13Å; M51-P180 HydrophobicContact CG-CG 4.37Å; M51-P180 HydrophobicContact SD-CB 4.02Å; I56-P180 HydrophobicContact CD1-CB 3.65Å; I56-P180 HydrophobicContact CG1-CB 3.7Å; S178-P180 WeakPolarHBondContact OG-CD 3.27Å; S178-P180 WeakPolarHBondContact OG-CG 3.4Å; P180-T183 PolarHBondContact O-N 3.01Å; P180-G184 PolarHBondContact O-N 3.18Å
181L94.7Very high90.6Very high6 Ų625 Ų253%0.03116%0.156CC..Hα-helixtrans-72-37.3179.7-63.2176.9000112.1L43 I46 L59 R170 S178 T183 S185L43-L181 HydrophobicContact CD2-CD1 3.71Å; L43-L181 HydrophobicContact CD2-CD2 3.86Å; L43-L181 HydrophobicContact CD2-CG 4.45Å; I46-L181 HydrophobicContact CB-CD2 4.44Å; I46-L181 HydrophobicContact CD1-CD2 4.06Å; I46-L181 HydrophobicContact CG2-CD1 4.16Å; I46-L181 HydrophobicContact CG2-CD2 3.83Å; I46-L181 HydrophobicContact CG2-CG 3.73Å; L59-L181 HydrophobicContact CD2-CD2 4.4Å; R170-L181 HydrophobicContact CG-CD1 4.29Å; S178-L181 PolarHBondContact O-N 3.34Å; S178-L181 VanDerWaalsContact O-N 3.08Å; L181-T183 VanDerWaalsContact C-N 3.35Å; L181-S185 WeakPolarHBondContact O-CB 3.36Å; L181-S185 PolarHBondContact O-N 2.82Å
182I91.9Very high91Very high8 Ų821.5 Ų21.54%0.04114%0.138CC..Hα-helixtrans-61.7-47.6172.9-67.2159.1000109.3V176 S178 S185 I186 L209 Y210 L219V176-I182 WeakPolarHBondContact O-CD1 3.41Å; V176-I182 WeakPolarHBondContact O-CG1 3.36Å; S178-I182 WeakPolarHBondContact O-CB 3.48Å; S178-I182 WeakPolarHBondContact O-CD1 3.43Å; S178-I182 WeakPolarHBondContact O-CG1 3.08Å; S178-I182 PolarHBondContact O-N 2.79Å; I182-S185 PolarHBondContact O-N 2.9Å; I182-I186 HydrophobicContact CG2-CD1 3.6Å; I182-I186 HydrophobicContact CG2-CG1 4.34Å; I182-I186 WeakPolarHBondContact O-CB 3.33Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 2.85Å; I182-L209 HydrophobicContact CD1-CD2 3.58Å; I182-Y210 HydrophobicContact CD1-CE2 4.47Å; I182-L219 HydrophobicContact CB-CD1 4.39Å; I182-L219 HydrophobicContact CG2-CD1 3.87Å; I182-L219 HydrophobicContact CG2-CD2 4.48Å
183T95.1Very high91.5Very high0 Ų017.7 Ų17.70%011%0.106CC..Hα-helixtrans-62.3-52.2-179.5-60.10000111.7I56 L179 P180 L181 S185 I186 I187 L222 L223 T226I56-T183 HydrophobicContact CG2-CG2 3.75Å; L179-T183 WeakPolarHBondContact O-CB 3.19Å; L179-T183 PolarHBondContact O-N 3.01Å; L179-T183 PolarHBondContact O-OG1 3.27Å; P180-T183 PolarHBondContact O-N 3.01Å; L181-T183 VanDerWaalsContact C-N 3.35Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.44Å; T183-I186 PolarHBondContact O-N 2.85Å; T183-I187 HydrophobicContact CG2-CG1 4.37Å; T183-I187 WeakPolarHBondContact O-CB 3.25Å; T183-I187 WeakPolarHBondContact O-CG1 3.25Å; T183-I187 PolarHBondContact O-N 3.42Å; T183-L222 HydrophobicContact CG2-CD2 4.13Å; T183-L222 HydrophobicContact CG2-CG 4.07Å; T183-L222 WeakPolarHBondContact OG1-CD2 3.28Å; T183-L223 HydrophobicContact CG2-CD2 4.17Å; T183-T226 HydrophobicContact CG2-CG2 3.97Å; T183-T226 VanDerWaalsContact CG2-OG1 3.27Å; T183-T226 WeakPolarHBondContact CG2-OG1 3.46Å
184G94.8Very high91.7Very high0 Ų017.6 Ų17.60%011%0.108CC..Hα-helixtrans-58.9-39.1177.100000112.4T60 P180 S188T60-G184 WeakPolarHBondContact OG1-CA 3.3Å; P180-G184 PolarHBondContact O-N 3.18Å; G184-S188 WeakPolarHBondContact O-CB 3.34Å; G184-S188 PolarHBondContact O-N 2.88Å; G184-S188 PolarHBondContact O-OG 2.86Å
185S91.4Very high92.2Very high3 Ų313.8 Ų13.82%0.0218%0.08CC..Hα-helixtrans-66.8-53177.2-176.20000112.4D163 R170 L181 I182 T183 S188 K189D163-S185 WeakPolarHBondContact OD1-CA 3.37Å; D163-S185 WeakPolarHBondContact OD1-CB 3.35Å; D163-S185 PolarHBondContact OD1-OG 2.62Å; D163-S185 PolarHBondContact OD2-OG 2.82Å; R170-S185 PolarHBondContact NH1-OG 2.84Å; L181-S185 WeakPolarHBondContact O-CB 3.36Å; L181-S185 PolarHBondContact O-N 2.82Å; I182-S185 PolarHBondContact O-N 2.9Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.44Å; S185-S188 PolarHBondContact O-OG 3.35Å; S185-S188 VanDerWaalsContact O-OG 3.09Å; S185-K189 VanDerWaalsContact C-NZ 3.29Å; S185-K189 PolarHBondContact O-NZ 2.96Å; S185-K189 PolarHBondContact OG-NZ 2.64Å
186I92.4Very high92.4Very high12 Ų1215.3 Ų15.36%0.0629%0.091CC..Hα-helixtrans-65.6-51.9-174.9-69.2175.1000110.6H84 I182 T183 K189 K190 L200 L223H84-I186 HydrophobicContact CB-CG2 4.31Å; H84-I186 WeakPolarHBondContact CD2-CG2 3.27Å; I182-I186 HydrophobicContact CG2-CD1 3.6Å; I182-I186 HydrophobicContact CG2-CG1 4.34Å; I182-I186 WeakPolarHBondContact O-CB 3.33Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 2.85Å; T183-I186 PolarHBondContact O-N 2.85Å; I186-K189 PolarHBondContact O-N 3Å; I186-K190 WeakPolarHBondContact O-CG 3.49Å; I186-K190 PolarHBondContact O-N 3.04Å; I186-L200 HydrophobicContact CG2-CD2 4.2Å; I186-L223 HydrophobicContact CB-CD2 3.97Å; I186-L223 HydrophobicContact CD1-CD2 4.18Å; I186-L223 HydrophobicContact CG2-CD2 4.05Å
187I95.4Very high93.1Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-73.8-30.7-171.2-59.7-62.7000111.6T60 T183 K189 K190 G191 L198 L200 L223 T226 L230T60-I187 HydrophobicContact CG2-CB 3.64Å; T60-I187 HydrophobicContact CG2-CG2 3.61Å; T183-I187 HydrophobicContact CG2-CG1 4.37Å; T183-I187 WeakPolarHBondContact O-CB 3.25Å; T183-I187 WeakPolarHBondContact O-CG1 3.25Å; T183-I187 PolarHBondContact O-N 3.42Å; I187-K189 PolarHBondContact O-N 2.61Å; I187-K190 PolarHBondContact O-N 3.16Å; I187-G191 PolarHBondContact O-N 3.18Å; I187-L198 HydrophobicContact CD1-CD2 4.05Å; I187-L200 HydrophobicContact CD1-CD2 4.45Å; I187-L223 HydrophobicContact CD1-CB 4.36Å; I187-L223 HydrophobicContact CD1-CD2 4.07Å; I187-L223 WeakPolarHBondContact CD1-O 3.2Å; I187-L223 HydrophobicContact CG1-CD2 3.83Å; I187-T226 HydrophobicContact CB-CG2 4.29Å; I187-T226 HydrophobicContact CG1-CG2 4.43Å; I187-T226 HydrophobicContact CG2-CG2 4.03Å; I187-L230 HydrophobicContact CG2-CD1 3.65Å
188S93Very high93.8Very high0 Ų09.5 Ų9.50%06%0.058CC..Hα-helixtrans-63.8-40.3176.258.40000112.4T60 G184 S185 G191 A192T60-S188 WeakPolarHBondContact O-CB 3.39Å; G184-S188 WeakPolarHBondContact O-CB 3.34Å; G184-S188 PolarHBondContact O-N 2.88Å; G184-S188 PolarHBondContact O-OG 2.86Å; S185-S188 PolarHBondContact O-OG 3.35Å; S185-S188 VanDerWaalsContact O-OG 3.09Å; S188-G191 PolarHBondContact O-N 3.42Å; S188-A192 PolarHBondContact O-N 3.28Å; S188-A192 VanDerWaalsContact O-N 3.07Å
189K90.6Very high94.1Very high13 Ų139.2 Ų9.26%0.0576%0.056CC..Hα-helixtrans-62.3-49172.9-69.7-172.2-69.1-69.70112.4Q155 V160 D163 S185 I186 I187 G191 A192 E193Q155-K189 HydrophobicContact CG-CD 4.18Å; Q155-K189 VanDerWaalsContact NE2-CD 3.28Å; V160-K189 HydrophobicContact CB-CG 4.45Å; V160-K189 HydrophobicContact CG1-CG 4.43Å; V160-K189 HydrophobicContact CG2-CG 4.44Å; D163-K189 IonicContact OD1-NZ 3.35Å; D163-K189 WeakPolarHBondContact OD2-CD 3.45Å; D163-K189 IonicContact OD2-NZ 2.77Å; D163-K189 PolarHBondContact OD2-NZ 3.21Å; S185-K189 VanDerWaalsContact C-NZ 3.29Å; S185-K189 PolarHBondContact O-NZ 2.96Å; S185-K189 PolarHBondContact OG-NZ 2.64Å; I186-K189 PolarHBondContact O-N 3Å; I187-K189 PolarHBondContact O-N 2.61Å; K189-G191 VanDerWaalsContact C-N 3.3Å; K189-G191 PolarHBondContact O-N 2.93Å; K189-A192 PolarHBondContact O-N 3.42Å; K189-E193 PolarHBondContact O-N 2.56Å
190K93.8Very high94.4Very high1 Ų17.1 Ų7.10%0.0045%0.045CC..Hα-helixtrans-68.8-30.2180-59.8-65.3150.3-155.10112.7D82 H84 I111 I186 I187 E193 L195 L198D82-K190 WeakPolarHBondContact OD2-CE 3.46Å; D82-K190 IonicContact OD2-NZ 3.92Å; D82-K190 PolarHBondContact OD2-NZ 3.15Å; H84-K190 HydrophobicContact CB-CD 4.28Å; H84-K190 HydrophobicContact CB-CG 4.4Å; H84-K190 VanDerWaalsContact ND1-CE 3.25Å; H84-K190 WeakPolarHBondContact ND1-CE 3.43Å; I111-K190 PolarHBondContact O-NZ 3Å; I186-K190 WeakPolarHBondContact O-CG 3.49Å; I186-K190 PolarHBondContact O-N 3.04Å; I187-K190 PolarHBondContact O-N 3.16Å; K190-E193 IonicContact NZ-OE1 2.64Å; K190-E193 PolarHBondContact NZ-OE1 3.25Å; K190-E193 IonicContact NZ-OE2 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.19Å; K190-E193 PolarHBondContact O-N 2.67Å; K190-L195 HydrophobicContact CB-CD1 4.2Å; K190-L195 HydrophobicContact CD-CD1 4.42Å; K190-L198 HydrophobicContact CB-CD1 4.28Å; K190-L198 HydrophobicContact CB-CD2 3.76Å; K190-L198 HydrophobicContact CD-CD1 3.89Å; K190-L198 HydrophobicContact CG-CD1 3.96Å; K190-L198 HydrophobicContact CG-CD2 3.98Å
191G92.5Very high94.6Very high6 Ų66.7 Ų6.76%0.0624%0.043CC..Hα-helixtrans-66.7-37.6171.400000113.1M64 I187 S188 K189 E193 S194M64-G191 VanDerWaalsContact SD-CA 3.57Å; I187-G191 PolarHBondContact O-N 3.18Å; S188-G191 PolarHBondContact O-N 3.42Å; K189-G191 VanDerWaalsContact C-N 3.3Å; K189-G191 PolarHBondContact O-N 2.93Å; G191-E193 PolarHBondContact O-N 3.35Å; G191-S194 PolarHBondContact O-N 2.9Å; G191-S194 VanDerWaalsContact O-N 3.07Å
192A91.3Very high94.7Very high0 Ų06.4 Ų6.40%04%0.041CC..Hα-helixtrans-65.7-19.7177.100000113.3M64 M70 V160 S188 K189 S194M64-A192 HydrophobicContact CG-CB 4.4Å; M70-A192 WeakPolarHBondContact CB-O 3.42Å; M70-A192 PolarHBondContact N-O 2.68Å; V160-A192 HydrophobicContact CG2-CB 3.46Å; V160-A192 VanDerWaalsContact CG2-CB 3.46Å; S188-A192 PolarHBondContact O-N 3.28Å; S188-A192 VanDerWaalsContact O-N 3.07Å; K189-A192 PolarHBondContact O-N 3.42Å; A192-S194 VanDerWaalsContact C-N 3.3Å
193E92.7Very high94.8Very high0 Ų06.1 Ų6.10%04%0.04CC..THydrogen-bonded Turntrans-78.8-7.5174.9-65.2166.9-163.500113.3W72 P109 I111 K189 K190 G191 L195W72-E193 PolarHBondContact NE1-O 3.46Å; P109-E193 HydrophobicContact CG-CB 4.07Å; P109-E193 HydrophobicContact CG-CG 4.45Å; I111-E193 HydrophobicContact CB-CG 4.48Å; I111-E193 WeakPolarHBondContact CB-OE1 3.43Å; I111-E193 HydrophobicContact CD1-CG 3.54Å; I111-E193 HydrophobicContact CG1-CG 3.76Å; I111-E193 WeakPolarHBondContact CG1-OE1 3.06Å; I111-E193 PolarHBondContact N-OE1 2.94Å; K189-E193 PolarHBondContact O-N 2.56Å; K190-E193 IonicContact NZ-OE1 2.64Å; K190-E193 PolarHBondContact NZ-OE1 3.25Å; K190-E193 IonicContact NZ-OE2 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.19Å; K190-E193 PolarHBondContact O-N 2.67Å; G191-E193 PolarHBondContact O-N 3.35Å; E193-L195 HydrophobicContact CB-CD1 4.4Å; E193-L195 HydrophobicContact CB-CD2 3.73Å; E193-L195 HydrophobicContact CB-CG 3.8Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.3Å
194S93.9Very high94.8Very high45 Ų456.7 Ų6.732%0.3154%0.042SC..THydrogen-bonded Turntrans51.952.1-179.1-68.80000113.6V69 M70 G191 A192V69-S194 WeakPolarHBondContact CG1-OG 3.16Å; M70-S194 VanDerWaalsContact O-CB 3.27Å; M70-S194 WeakPolarHBondContact O-CB 3.34Å; M70-S194 PolarHBondContact O-OG 3.44Å; G191-S194 PolarHBondContact O-N 2.9Å; G191-S194 VanDerWaalsContact O-N 3.07Å; A192-S194 VanDerWaalsContact C-N 3.3Å
195L96.2Very high94.8Very high11 Ų116.9 Ų6.96%0.0584%0.044CC..  trans-78.1150-177-54.9175.9000112.7D82 P109 K190 E193 L198 I232D82-L195 HydrophobicContact CB-CD1 3.59Å; D82-L195 HydrophobicContact CB-CD2 3.98Å; D82-L195 HydrophobicContact CB-CG 4.43Å; P109-L195 HydrophobicContact CG-CD2 3.77Å; K190-L195 HydrophobicContact CB-CD1 4.2Å; K190-L195 HydrophobicContact CD-CD1 4.42Å; E193-L195 HydrophobicContact CB-CD1 4.4Å; E193-L195 HydrophobicContact CB-CD2 3.73Å; E193-L195 HydrophobicContact CB-CG 3.8Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.3Å; L195-L198 HydrophobicContact CD1-CB 4.27Å; L195-L198 HydrophobicContact CD1-CD1 4.1Å; L195-I232 HydrophobicContact CB-CG2 3.97Å
196S96Very high94.7Very high32 Ų328.2 Ų8.222%0.2246%0.058CC..SBendtrans-86.3-36.5164.859.70000113.2K77 R78 M80 R233K77-S196 WeakPolarHBondContact O-CB 3.44Å; K77-S196 PolarHBondContact O-OG 3.49Å; R78-S196 PolarHBondContact O-OG 3.41Å; M80-S196 PolarHBondContact O-N 2.83Å; M80-S196 PolarHBondContact O-OG 3.2Å; S196-R233 WeakPolarHBondContact O-CB 3.14Å; S196-R233 PolarHBondContact O-N 3.43Å; S196-R233 VanDerWaalsContact O-N 3.09Å
197A97.8Very high94.7Very high1 Ų17.7 Ų7.71%0.0086%0.055CC..EExtended strand (participates in β ladder)trans-138.2141.2179.100000111.4M80 V81 D82 R233 L281 M284 T285M80-A197 PolarHBondContact O-N 3.36Å; V81-A197 VanDerWaalsContact CA-O 3.29Å; V81-A197 WeakPolarHBondContact CA-O 3.42Å; V81-A197 HydrophobicContact CG1-CB 4.15Å; D82-A197 PolarHBondContact N-O 3.24Å; A197-R233 CarbonylContact C-O 3.59Å; A197-R233 VanDerWaalsContact CA-O 3.25Å; A197-R233 WeakPolarHBondContact CA-O 3.34Å; A197-L281 HydrophobicContact CB-CD2 3.97Å; A197-M284 HydrophobicContact CB-CB 3.79Å; A197-M284 HydrophobicContact CB-CE 4.02Å; A197-T285 HydrophobicContact CB-CG2 4.06Å
198L98.3Very high94.4Very high0 Ų07.8 Ų7.80%06%0.056CC..EExtended strand (participates in β ladder)trans-132.9131.2177.6174.265000109.1D82 I187 K190 L195 L200 I232 R233 T234 G235D82-L198 HydrophobicContact CB-CD1 4.43Å; D82-L198 WeakPolarHBondContact O-CA 3.35Å; D82-L198 WeakPolarHBondContact O-CD1 3.27Å; I187-L198 HydrophobicContact CD1-CD2 4.05Å; K190-L198 HydrophobicContact CB-CD1 4.28Å; K190-L198 HydrophobicContact CB-CD2 3.76Å; K190-L198 HydrophobicContact CD-CD1 3.89Å; K190-L198 HydrophobicContact CG-CD1 3.96Å; K190-L198 HydrophobicContact CG-CD2 3.98Å; L195-L198 HydrophobicContact CD1-CB 4.27Å; L195-L198 HydrophobicContact CD1-CD1 4.1Å; L198-L200 HydrophobicContact CD2-CD2 3.98Å; L198-L200 HydrophobicContact CD2-CG 4.47Å; L198-L200 HydrophobicContact CG-CD2 4.19Å; L198-L200 HydrophobicContact CG-CG 4.41Å; L198-I232 HydrophobicContact CB-CG2 3.72Å; L198-R233 PolarHBondContact N-O 2.86Å; L198-T234 HydrophobicContact CB-CG2 4.32Å; L198-T234 HydrophobicContact CD2-CG2 4.13Å; L198-T234 HydrophobicContact CG-CG2 4.27Å; L198-T234 WeakPolarHBondContact O-CA 3.38Å; L198-G235 PolarHBondContact O-N 3.29Å
199V98.4Very high94Very high0 Ų010.9 Ų10.90%07%0.073CC..EExtended strand (participates in β ladder)trans-112.5132.2168.2176.50000109.9D82 K83 H84 G235 V237 L277 M280 L281 M284D82-V199 PolarHBondContact O-N 3.36Å; D82-V199 VanDerWaalsContact O-N 3.11Å; K83-V199 VanDerWaalsContact CA-O 3.28Å; K83-V199 WeakPolarHBondContact CA-O 3.36Å; H84-V199 PolarHBondContact N-O 3.41Å; V199-G235 CarbonylContact C-O 3.57Å; V199-G235 WeakPolarHBondContact CA-O 3.24Å; V199-V237 HydrophobicContact CG1-CG2 4.28Å; V199-L277 HydrophobicContact CG1-CD2 3.47Å; V199-L277 VanDerWaalsContact CG1-CD2 3.47Å; V199-M280 HydrophobicContact CG1-CE 4.23Å; V199-M280 HydrophobicContact CG1-SD 4.03Å; V199-M280 HydrophobicContact CG2-CB 3.79Å; V199-M280 HydrophobicContact CG2-CE 4.23Å; V199-L281 HydrophobicContact CB-CD2 4.14Å; V199-L281 HydrophobicContact CB-CG 4.11Å; V199-L281 HydrophobicContact CG2-CD2 3.56Å; V199-L281 HydrophobicContact CG2-CG 3.63Å; V199-M284 HydrophobicContact CG2-CE 4.42Å; V199-M284 HydrophobicContact CG2-SD 3.58Å; V199-M284 VanDerWaalsContact CG2-SD 3.58Å
200L98Very high93.8Very high2 Ų212.3 Ų12.31%0.018%0.078CC..EExtended strand (participates in β ladder)trans-103.2122-179.8-59.3162.9000109.5H84 I186 I187 L198 V202 L223 M224 T234 G235 A236 V237H84-L200 HydrophobicContact CB-CD2 4.12Å; H84-L200 CarbonylContact O-C 3.58Å; H84-L200 WeakPolarHBondContact O-CA 3.45Å; I186-L200 HydrophobicContact CG2-CD2 4.2Å; I187-L200 HydrophobicContact CD1-CD2 4.45Å; L198-L200 HydrophobicContact CD2-CD2 3.98Å; L198-L200 HydrophobicContact CD2-CG 4.47Å; L198-L200 HydrophobicContact CG-CD2 4.19Å; L198-L200 HydrophobicContact CG-CG 4.41Å; L200-V202 HydrophobicContact CB-CG2 4.15Å; L200-L223 HydrophobicContact CD1-CB 3.33Å; L200-L223 HydrophobicContact CD1-CD1 4.11Å; L200-L223 HydrophobicContact CD1-CG 4.29Å; L200-M224 HydrophobicContact CD1-CG 4.24Å; L200-T234 HydrophobicContact CD1-CG2 3.59Å; L200-T234 HydrophobicContact CG-CG2 4.05Å; L200-G235 PolarHBondContact N-O 3.36Å; L200-A236 HydrophobicContact CB-CB 4Å; L200-A236 CarbonylContact O-C 3.57Å; L200-A236 WeakPolarHBondContact O-CA 3.27Å; L200-V237 PolarHBondContact O-N 2.81Å
201D97.5Very high93.6Very high1 Ų117.7 Ų17.71%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-95.495.4173.5-175.45.1000108.6K83 H84 S85 T86 K203 S239 L277K83-D201 HydrophobicContact CD-CB 4.09Å; H84-D201 PolarHBondContact O-N 2.97Å; S85-D201 VanDerWaalsContact CA-O 3.32Å; S85-D201 WeakPolarHBondContact CA-O 3.39Å; T86-D201 PolarHBondContact N-O 3.33Å; D201-K203 WeakPolarHBondContact OD1-CE 3.43Å; D201-K203 IonicContact OD1-NZ 2.76Å; D201-K203 PolarHBondContact OD1-NZ 3.26Å; D201-K203 VanDerWaalsContact OD2-CE 3.3Å; D201-K203 WeakPolarHBondContact OD2-CE 3.33Å; D201-K203 IonicContact OD2-NZ 3.88Å; D201-K203 PolarHBondContact OD2-NZ 3.23Å; D201-S239 PolarHBondContact OD1-OG 3.37Å; D201-L277 HydrophobicContact CB-CD1 4.24Å; D201-L277 HydrophobicContact CB-CD2 3.98Å
202V96.8Very high93.7Very high0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans-97.6110.8-174.1-1790000109.1T86 L200 A216 L219 A220 L223 V237 L238 S239T86-V202 HydrophobicContact CG2-CB 4.34Å; T86-V202 HydrophobicContact CG2-CG1 4.15Å; T86-V202 HydrophobicContact CG2-CG2 4.16Å; L200-V202 HydrophobicContact CB-CG2 4.15Å; V202-A216 HydrophobicContact CG1-CB 4.07Å; V202-A216 WeakPolarHBondContact CG1-O 2.93Å; V202-L219 HydrophobicContact CG1-CD2 4Å; V202-A220 HydrophobicContact CB-CB 4.32Å; V202-A220 HydrophobicContact CG2-CB 3.89Å; V202-L223 HydrophobicContact CG2-CD1 4.19Å; V202-V237 PolarHBondContact N-O 3.26Å; V202-L238 HydrophobicContact CB-CD2 3.9Å; V202-L238 HydrophobicContact CG1-CD2 4.15Å; V202-L238 WeakPolarHBondContact O-CA 3.49Å; V202-S239 PolarHBondContact O-N 3.41Å
203K95.3Very high93.8Very high1 Ų123 Ų230%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-79.6143-176.3-54.5-50.3-174-179.30111.5T86 G87 D91 D201 A208 S239 M241T86-K203 PolarHBondContact OG1-N 2.72Å; G87-K203 VanDerWaalsContact O-CG 3.28Å; G87-K203 WeakPolarHBondContact O-CG 3.17Å; D91-K203 WeakPolarHBondContact OD2-CE 3.46Å; D201-K203 WeakPolarHBondContact OD1-CE 3.43Å; D201-K203 IonicContact OD1-NZ 2.76Å; D201-K203 PolarHBondContact OD1-NZ 3.26Å; D201-K203 VanDerWaalsContact OD2-CE 3.3Å; D201-K203 WeakPolarHBondContact OD2-CE 3.33Å; D201-K203 IonicContact OD2-NZ 3.88Å; D201-K203 PolarHBondContact OD2-NZ 3.23Å; K203-A208 HydrophobicContact CB-CB 3.73Å; K203-S239 CarbonylContact C-O 3.43Å; K203-S239 VanDerWaalsContact CA-O 3.29Å; K203-S239 WeakPolarHBondContact CA-O 3.39Å; K203-S239 WeakPolarHBondContact CD-OG 3.44Å; K203-S239 PolarHBondContact NZ-OG 3.1Å; K203-M241 HydrophobicContact CB-CB 3.89Å; K203-M241 HydrophobicContact CB-CG 4.27Å; K203-M241 HydrophobicContact CD-CE 3.81Å; K203-M241 HydrophobicContact CG-CB 4.37Å; K203-M241 HydrophobicContact CG-CE 4.11Å; K203-M241 HydrophobicContact CG-CG 4.46Å
204F95.4Very high94Very high13 Ų1328.5 Ų28.56%0.05715%0.154CC..EExtended strand (participates in β ladder)trans-134.6151.6165.874.6-82.8000111.6Y210 L213 A216 L238 S239 R240 M241 A443F204-Y210 VanDerWaalsContact CA-O 3.26Å; F204-Y210 WeakPolarHBondContact CA-O 3.27Å; F204-L213 HydrophobicContact CD1-CD1 3.82Å; F204-L213 HydrophobicContact CD2-CB 4.17Å; F204-L213 HydrophobicContact CD2-CD1 4.46Å; F204-L213 HydrophobicContact CE1-CD1 3.67Å; F204-L213 HydrophobicContact CE2-CB 4.23Å; F204-L213 HydrophobicContact CE2-CD1 4.31Å; F204-L213 HydrophobicContact CG-CD1 4.22Å; F204-L213 HydrophobicContact CZ-CD1 3.92Å; F204-A216 HydrophobicContact CB-CB 3.66Å; F204-L238 HydrophobicContact CD1-CB 4.45Å; F204-L238 HydrophobicContact CE1-CB 4.46Å; F204-S239 VanDerWaalsContact CD1-O 3.29Å; F204-S239 WeakPolarHBondContact CD1-O 3.39Å; F204-S239 PolarHBondContact N-O 3.5Å; F204-R240 HydrophobicContact CE1-CG 3.94Å; F204-R240 HydrophobicContact CE2-CG 3.99Å; F204-R240 HydrophobicContact CZ-CB 4.45Å; F204-R240 HydrophobicContact CZ-CG 3.42Å; F204-R240 VanDerWaalsContact CZ-CG 3.42Å; F204-R240 CarbonylContact O-C 3.44Å; F204-R240 WeakPolarHBondContact O-CA 3.34Å; F204-M241 PolarHBondContact O-N 3.09Å; F204-A443 HydrophobicContact CE1-CB 3.54Å; F204-A443 HydrophobicContact CZ-CB 3.6Å
205G93.8Very high93.9Very high4 Ų427.8 Ų27.84%0.04115%0.149CC..SBendtrans122-172.3178.500000114.3A207 A208 Y210 K211 D242G205-A207 VanDerWaalsContact C-N 3.29Å; G205-A207 PolarHBondContact O-N 3.46Å; G205-A207 VanDerWaalsContact O-N 3.15Å; G205-A208 PolarHBondContact O-N 3.24Å; G205-Y210 PolarHBondContact N-O 2.62Å; G205-Y210 VanDerWaalsContact N-O 3.08Å; G205-K211 WeakPolarHBondContact CA-O 3.44Å; G205-K211 PolarHBondContact N-O 2.62Å; G205-K211 WeakPolarHBondContact O-CD 3.43Å; G205-D242 VanDerWaalsContact CA-OD1 3.24Å; G205-D242 WeakPolarHBondContact CA-OD1 3.34Å
206G90.5Very high93.8Very high31 Ų3127.2 Ų27.232%0.3215%0.146SC..THydrogen-bonded Turntrans-52.3-37.7-170.500000115.3K211 D242G206-K211 PolarHBondContact O-NZ 3.45Å; G206-D242 PolarHBondContact N-OD1 2.72Å
207A91Very high93.8Very high0 Ų028.1 Ų28.10%015%0.146CC..THydrogen-bonded Turntrans-1041.7-179.900000114.4V89 H118 G205 M241 L362V89-A207 HydrophobicContact CG2-CB 3.85Å; H118-A207 PolarHBondContact NE2-O 3.21Å; G205-A207 VanDerWaalsContact C-N 3.29Å; G205-A207 PolarHBondContact O-N 3.46Å; G205-A207 VanDerWaalsContact O-N 3.15Å; A207-M241 WeakPolarHBondContact CA-O 3.35Å; A207-M241 HydrophobicContact CB-CG 4.1Å; A207-M241 VanDerWaalsContact CB-O 3.29Å; A207-M241 WeakPolarHBondContact CB-O 3.43Å; A207-M241 PolarHBondContact N-O 2.88Å; A207-L362 HydrophobicContact CB-CB 3.98Å
208A90.4Very high93.6Very high2 Ų233.3 Ų33.32%0.01717%0.17CC..SBendtrans-83.6168.5173.200000112.9K203 G205 Y210 K211 M241K203-A208 HydrophobicContact CB-CB 3.73Å; G205-A208 PolarHBondContact O-N 3.24Å; A208-Y210 WeakPolarHBondContact CB-O 3.47Å; A208-K211 PolarHBondContact O-NZ 3.31Å; A208-M241 HydrophobicContact CB-CB 4.02Å; A208-M241 HydrophobicContact CB-CG 4.28Å
209L84.2Confident93.4Very high66 Ų6633.3 Ų33.335%0.34617%0.17SC..SBendtrans-60.8-47.6169.8-178.764.6000111.6D177 I182D177-L209 HydrophobicContact CB-CD1 4.25Å; I182-L209 HydrophobicContact CD1-CD2 3.58Å
210Y87Confident93.3Very high42 Ų4233.3 Ų33.317%0.16517%0.17CC..BIsolated β-bridgetrans-104.5133.2175.6-70.5-81.3000110.2I182 F204 G205 A208 S215 L219I182-Y210 HydrophobicContact CD1-CE2 4.47Å; F204-Y210 VanDerWaalsContact CA-O 3.26Å; F204-Y210 WeakPolarHBondContact CA-O 3.27Å; G205-Y210 PolarHBondContact N-O 2.62Å; G205-Y210 VanDerWaalsContact N-O 3.08Å; A208-Y210 WeakPolarHBondContact CB-O 3.47Å; Y210-S215 VanDerWaalsContact CD1-CB 3.44Å; Y210-L219 HydrophobicContact CD2-CD2 4.05Å; Y210-L219 HydrophobicContact CE2-CB 4.29Å; Y210-L219 HydrophobicContact CE2-CD2 3.81Å; Y210-L219 HydrophobicContact CE2-CG 4.46Å
211K89.7Confident93.1Very high115 Ų11537.5 Ų37.550%0.519%0.189SC..SBendtrans-82.7-34.6-175-55.5-51.2-179.5-166.70112.5G205 G206 A208G205-K211 WeakPolarHBondContact CA-O 3.44Å; G205-K211 PolarHBondContact N-O 2.62Å; G205-K211 WeakPolarHBondContact O-CD 3.43Å; G206-K211 PolarHBondContact O-NZ 3.45Å; A208-K211 PolarHBondContact O-NZ 3.31Å
212D93.8Very high93Very high72 Ų7238.6 Ų38.639%0.38520%0.195SC..SBendtrans-104.7153.5-177.374.195.9000112.6Q214 S215 A216D212-Q214 VanDerWaalsContact C-N 3.31Å; D212-Q214 PolarHBondContact O-N 3.06Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.26Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.31Å; D212-Q214 PolarHBondContact OD1-N 3.49Å; D212-S215 VanDerWaalsContact CG-OG 3.27Å; D212-S215 PolarHBondContact OD1-N 3.36Å; D212-S215 PolarHBondContact OD1-OG 3.36Å; D212-S215 VanDerWaalsContact OD2-CB 3.27Å; D212-S215 WeakPolarHBondContact OD2-CB 3.29Å; D212-S215 PolarHBondContact OD2-OG 2.77Å; D212-A216 PolarHBondContact O-N 3.27Å
213L94.1Very high93Very high46 Ų4638.7 Ų38.724%0.24120%0.196CC..Hα-helixtrans-63.7-33.7-178.5179.662.8000112.8F204 A216 K217 L238 A443F204-L213 HydrophobicContact CD1-CD1 3.82Å; F204-L213 HydrophobicContact CD2-CB 4.17Å; F204-L213 HydrophobicContact CD2-CD1 4.46Å; F204-L213 HydrophobicContact CE1-CD1 3.67Å; F204-L213 HydrophobicContact CE2-CB 4.23Å; F204-L213 HydrophobicContact CE2-CD1 4.31Å; F204-L213 HydrophobicContact CG-CD1 4.22Å; F204-L213 HydrophobicContact CZ-CD1 3.92Å; L213-A216 PolarHBondContact O-N 2.9Å; L213-K217 VanDerWaalsContact O-CB 3.31Å; L213-K217 WeakPolarHBondContact O-CB 3.33Å; L213-K217 PolarHBondContact O-N 2.72Å; L213-L238 HydrophobicContact CD1-CB 3.96Å; L213-L238 HydrophobicContact CD1-CD1 3.57Å; L213-L238 HydrophobicContact CD1-CG 4.38Å; L213-L238 HydrophobicContact CG-CD1 4.49Å; L213-A443 HydrophobicContact CD1-CB 4.39Å
214Q95.4Very high93Very high114 Ų11439.6 Ų39.653%0.53320%0.2SC..Hα-helixtrans-71.5-44.8-175.2-63.9-57.6-4000111.1D212 A216 K217 Q218D212-Q214 VanDerWaalsContact C-N 3.31Å; D212-Q214 PolarHBondContact O-N 3.06Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.26Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.31Å; D212-Q214 PolarHBondContact OD1-N 3.49Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 2.85Å; Q214-K217 WeakPolarHBondContact O-CB 3.28Å; Q214-K217 PolarHBondContact O-N 2.86Å; Q214-Q218 WeakPolarHBondContact O-CG 3.39Å; Q214-Q218 PolarHBondContact O-N 3.1Å
215S92.3Very high93Very high30 Ų3044.7 Ų44.721%0.2122%0.224CC..Hα-helixtrans-62.2-40.6174.6-56.30000111.7Y210 D212 K217 Q218 L219Y210-S215 VanDerWaalsContact CD1-CB 3.44Å; D212-S215 VanDerWaalsContact CG-OG 3.27Å; D212-S215 PolarHBondContact OD1-N 3.36Å; D212-S215 PolarHBondContact OD1-OG 3.36Å; D212-S215 VanDerWaalsContact OD2-CB 3.27Å; D212-S215 WeakPolarHBondContact OD2-CB 3.29Å; D212-S215 PolarHBondContact OD2-OG 2.77Å; S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.19Å; S215-Q218 PolarHBondContact O-N 3.05Å; S215-L219 PolarHBondContact O-N 3.31Å
216A94.4Very high93.1Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-63.1-39.717400000112.3V202 F204 D212 L213 Q214 L219 A220 L238V202-A216 HydrophobicContact CG1-CB 4.07Å; V202-A216 WeakPolarHBondContact CG1-O 2.93Å; F204-A216 HydrophobicContact CB-CB 3.66Å; D212-A216 PolarHBondContact O-N 3.27Å; L213-A216 PolarHBondContact O-N 2.9Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 2.85Å; A216-L219 PolarHBondContact O-N 2.95Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.4Å; A216-L238 HydrophobicContact CB-CD2 4.49Å
217K95.9Very high93.3Very high50 Ų5043.1 Ų43.122%0.21721%0.207CC..Hα-helixtrans-63.6-41.7175.2-171.9166.2-173.6155.20112.4L213 Q214 S215 A220 Q221 L238 E444 L446L213-K217 VanDerWaalsContact O-CB 3.31Å; L213-K217 WeakPolarHBondContact O-CB 3.33Å; L213-K217 PolarHBondContact O-N 2.72Å; Q214-K217 WeakPolarHBondContact O-CB 3.28Å; Q214-K217 PolarHBondContact O-N 2.86Å; S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.19Å; K217-A220 PolarHBondContact O-N 3.12Å; K217-Q221 VanDerWaalsContact O-CG 3.31Å; K217-Q221 WeakPolarHBondContact O-CG 3.47Å; K217-Q221 PolarHBondContact O-N 3.05Å; K217-L238 HydrophobicContact CB-CD1 3.72Å; K217-L238 HydrophobicContact CD-CD1 4.33Å; K217-L238 HydrophobicContact CG-CD1 4.04Å; K217-E444 IonicContact NZ-OE1 2.77Å; K217-E444 IonicContact NZ-OE2 2.74Å; K217-E444 PolarHBondContact NZ-OE2 3.19Å; K217-L446 HydrophobicContact CG-CD1 4.36Å
218Q93.8Very high93.5Very high110 Ų11046 Ų4651%0.51422%0.223SC..Hα-helixtrans-61.3-44.1174.7-71.4173.4-6.200111.7Q214 S215 Q221 L222Q214-Q218 WeakPolarHBondContact O-CG 3.39Å; Q214-Q218 PolarHBondContact O-N 3.1Å; S215-Q218 PolarHBondContact O-N 3.05Å; Q218-Q221 PolarHBondContact O-N 3.44Å; Q218-L222 PolarHBondContact O-N 3.18Å; Q218-L222 VanDerWaalsContact O-N 3.09Å
219L93.6Very high93.6Very high1 Ų148.6 Ų48.61%0.00524%0.241CC..Hα-helixtrans-60.1-47.5173.8176.967.8000111.3T86 L179 I182 V202 Y210 S215 A216 Q221 L222 L223T86-L219 HydrophobicContact CG2-CD2 3.84Å; L179-L219 HydrophobicContact CD2-CD1 3.92Å; L179-L219 HydrophobicContact CG-CD1 4.11Å; I182-L219 HydrophobicContact CB-CD1 4.39Å; I182-L219 HydrophobicContact CG2-CD1 3.87Å; I182-L219 HydrophobicContact CG2-CD2 4.48Å; V202-L219 HydrophobicContact CG1-CD2 4Å; Y210-L219 HydrophobicContact CD2-CD2 4.05Å; Y210-L219 HydrophobicContact CE2-CB 4.29Å; Y210-L219 HydrophobicContact CE2-CD2 3.81Å; Y210-L219 HydrophobicContact CE2-CG 4.46Å; S215-L219 PolarHBondContact O-N 3.31Å; A216-L219 PolarHBondContact O-N 2.95Å; L219-Q221 VanDerWaalsContact C-N 3.33Å; L219-Q221 PolarHBondContact O-N 2.91Å; L219-L222 PolarHBondContact O-N 3.36Å; L219-L223 HydrophobicContact CD1-CD1 4.05Å; L219-L223 HydrophobicContact CD1-CG 4.13Å; L219-L223 HydrophobicContact CD2-CD1 4.27Å; L219-L223 HydrophobicContact CG-CD1 3.76Å; L219-L223 HydrophobicContact CG-CG 4.28Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.28Å
220A96.1Very high93.9Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-59.6-44-179.700000111.9V202 A216 K217 L223 M224 A236 L238 L446V202-A220 HydrophobicContact CB-CB 4.32Å; V202-A220 HydrophobicContact CG2-CB 3.89Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.4Å; K217-A220 PolarHBondContact O-N 3.12Å; A220-L223 PolarHBondContact O-N 2.75Å; A220-M224 WeakPolarHBondContact O-CB 3.01Å; A220-M224 VanDerWaalsContact O-CG 3.23Å; A220-M224 WeakPolarHBondContact O-CG 3.08Å; A220-M224 PolarHBondContact O-N 2.91Å; A220-A236 HydrophobicContact CB-CB 3.89Å; A220-L238 HydrophobicContact CB-CD2 3.71Å; A220-L446 HydrophobicContact CB-CD1 3.84Å
221Q95.3Very high94.2Very high89 Ų8948.8 Ų48.842%0.41626%0.261SS..Hα-helixtrans-60.1-48.9176.7-75171.7-3000111.5K217 Q218 L219 L223 M224 E225K217-Q221 VanDerWaalsContact O-CG 3.31Å; K217-Q221 WeakPolarHBondContact O-CG 3.47Å; K217-Q221 PolarHBondContact O-N 3.05Å; Q218-Q221 PolarHBondContact O-N 3.44Å; L219-Q221 VanDerWaalsContact C-N 3.33Å; L219-Q221 PolarHBondContact O-N 2.91Å; Q221-L223 PolarHBondContact O-N 3.23Å; Q221-M224 PolarHBondContact O-N 3Å; Q221-E225 WeakPolarHBondContact O-CB 3.33Å; Q221-E225 WeakPolarHBondContact O-CG 3.36Å; Q221-E225 PolarHBondContact O-N 3.45Å
222L94.9Very high94.4Very high25 Ų2543.6 Ų43.613%0.13124%0.238CC..Hα-helixtrans-65.7-40.1-179.7-172.369.9000112.6I56 L179 T183 Q218 L219 M224 E225 T226I56-L222 HydrophobicContact CD1-CD1 4.29Å; I56-L222 HydrophobicContact CD1-CD2 3.57Å; I56-L222 HydrophobicContact CG2-CD2 4.38Å; L179-L222 HydrophobicContact CD2-CB 3.89Å; L179-L222 HydrophobicContact CD2-CD2 3.16Å; L179-L222 HydrophobicContact CD2-CG 4.12Å; T183-L222 HydrophobicContact CG2-CD2 4.13Å; T183-L222 HydrophobicContact CG2-CG 4.07Å; T183-L222 WeakPolarHBondContact OG1-CD2 3.28Å; Q218-L222 PolarHBondContact O-N 3.18Å; Q218-L222 VanDerWaalsContact O-N 3.09Å; L219-L222 PolarHBondContact O-N 3.36Å; L222-M224 VanDerWaalsContact C-N 3.33Å; L222-E225 PolarHBondContact O-N 2.85Å; L222-T226 VanDerWaalsContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 PolarHBondContact O-OG1 2.79Å
223L96Very high94.6Very high1 Ų143 Ų431%0.00523%0.231CC..Hα-helixtrans-61-43.8174.9-72.5167.3000111.3T183 I186 I187 L200 V202 L219 A220 Q221 G227T183-L223 HydrophobicContact CG2-CD2 4.17Å; I186-L223 HydrophobicContact CB-CD2 3.97Å; I186-L223 HydrophobicContact CD1-CD2 4.18Å; I186-L223 HydrophobicContact CG2-CD2 4.05Å; I187-L223 HydrophobicContact CD1-CB 4.36Å; I187-L223 HydrophobicContact CD1-CD2 4.07Å; I187-L223 WeakPolarHBondContact CD1-O 3.2Å; I187-L223 HydrophobicContact CG1-CD2 3.83Å; L200-L223 HydrophobicContact CD1-CB 3.33Å; L200-L223 HydrophobicContact CD1-CD1 4.11Å; L200-L223 HydrophobicContact CD1-CG 4.29Å; V202-L223 HydrophobicContact CG2-CD1 4.19Å; L219-L223 HydrophobicContact CD1-CD1 4.05Å; L219-L223 HydrophobicContact CD1-CG 4.13Å; L219-L223 HydrophobicContact CD2-CD1 4.27Å; L219-L223 HydrophobicContact CG-CD1 3.76Å; L219-L223 HydrophobicContact CG-CG 4.28Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.28Å; A220-L223 PolarHBondContact O-N 2.75Å; Q221-L223 PolarHBondContact O-N 3.23Å; L223-G227 PolarHBondContact O-N 2.98Å
224M96.3Very high94.8Very high20 Ų2040.8 Ų40.810%0.09922%0.219CC..Hα-helixtrans-63-49.9176.5-75.2172.757.700111.7L200 A220 Q221 L222 T226 G227 N228 T234 A236 L446L200-M224 HydrophobicContact CD1-CG 4.24Å; A220-M224 WeakPolarHBondContact O-CB 3.01Å; A220-M224 VanDerWaalsContact O-CG 3.23Å; A220-M224 WeakPolarHBondContact O-CG 3.08Å; A220-M224 PolarHBondContact O-N 2.91Å; Q221-M224 PolarHBondContact O-N 3Å; L222-M224 VanDerWaalsContact C-N 3.33Å; M224-T226 VanDerWaalsContact C-N 3.31Å; M224-T226 PolarHBondContact O-N 3.22Å; M224-G227 PolarHBondContact O-N 3.4Å; M224-N228 WeakPolarHBondContact O-CB 3.42Å; M224-N228 VanDerWaalsContact O-CG 3.25Å; M224-N228 PolarHBondContact O-N 2.84Å; M224-N228 PolarHBondContact O-ND2 2.72Å; M224-T234 HydrophobicContact CB-CG2 4.4Å; M224-T234 HydrophobicContact CG-CG2 4.06Å; M224-A236 HydrophobicContact CG-CB 4.16Å; M224-A236 HydrophobicContact SD-CB 3.72Å; M224-L446 HydrophobicContact CE-CB 4.29Å; M224-L446 HydrophobicContact SD-CB 3.78Å; M224-L446 HydrophobicContact SD-CD1 4.49Å
225E94.9Very high94.9Very high120 Ų12035.4 Ų35.456%0.56119%0.194SC*.Hα-helixtrans-57.4-45.2177.8-74.5173.8-167.700111.6Q221 L222 S229Q221-E225 WeakPolarHBondContact O-CB 3.33Å; Q221-E225 WeakPolarHBondContact O-CG 3.36Å; Q221-E225 PolarHBondContact O-N 3.45Å; L222-E225 PolarHBondContact O-N 2.85Å; E225-S229 WeakPolarHBondContact O-CB 3.16Å; E225-S229 PolarHBondContact O-N 3.37Å
226T95.8Very high95.2Very high2 Ų234 Ų341%0.01218%0.184CC..Hα-helixtrans-66.8-45.7179.6-53.40000111.2T60 T183 I187 L222 M224 S229 L230T60-T226 HydrophobicContact CG2-CG2 3.84Å; T60-T226 WeakPolarHBondContact OG1-CG2 3.41Å; T183-T226 HydrophobicContact CG2-CG2 3.97Å; T183-T226 VanDerWaalsContact CG2-OG1 3.27Å; T183-T226 WeakPolarHBondContact CG2-OG1 3.46Å; I187-T226 HydrophobicContact CB-CG2 4.29Å; I187-T226 HydrophobicContact CG1-CG2 4.43Å; I187-T226 HydrophobicContact CG2-CG2 4.03Å; L222-T226 VanDerWaalsContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 PolarHBondContact O-N 3.41Å; L222-T226 PolarHBondContact O-OG1 2.79Å; M224-T226 VanDerWaalsContact C-N 3.31Å; M224-T226 PolarHBondContact O-N 3.22Å; T226-S229 PolarHBondContact O-N 3.32Å; T226-S229 PolarHBondContact O-OG 2.63Å; T226-L230 PolarHBondContact O-N 3.19Å
227G95.8Very high95.3Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-60.9-45.2176.600000112.8L223 M224 S229 L230 I232L223-G227 PolarHBondContact O-N 2.98Å; M224-G227 PolarHBondContact O-N 3.4Å; G227-S229 VanDerWaalsContact C-N 3.29Å; G227-S229 PolarHBondContact O-N 2.99Å; G227-L230 PolarHBondContact O-N 3.35Å; G227-L230 VanDerWaalsContact O-N 3.09Å; G227-I232 CarbonylContact C-O 3.53Å; G227-I232 PolarHBondContact O-N 3.11Å; G227-I232 VanDerWaalsContact O-N 3.16Å
228N94.3Very high95.4Very high60 Ų6031.6 Ų31.632%0.32117%0.173SC..Hα-helixtrans-63-35.6175.8-70.7-46.8000111.9M224 L230 G231 I232 T234M224-N228 WeakPolarHBondContact O-CB 3.42Å; M224-N228 VanDerWaalsContact O-CG 3.25Å; M224-N228 PolarHBondContact O-N 2.84Å; M224-N228 PolarHBondContact O-ND2 2.72Å; N228-L230 PolarHBondContact O-N 2.77Å; N228-G231 PolarHBondContact O-N 2.84Å; N228-I232 WeakPolarHBondContact CA-O 3.41Å; N228-I232 PolarHBondContact N-O 3.02Å; N228-I232 PolarHBondContact OD1-O 2.92Å; N228-T234 PolarHBondContact OD1-N 3.04Å
229S92.3Very high95.6Very high58 Ų5826.3 Ų26.341%0.40615%0.149SC..Hα-helixtrans-65.4-21175.881.30000114E225 T226 G227 G231E225-S229 WeakPolarHBondContact O-CB 3.16Å; E225-S229 PolarHBondContact O-N 3.37Å; T226-S229 PolarHBondContact O-N 3.32Å; T226-S229 PolarHBondContact O-OG 2.63Å; G227-S229 VanDerWaalsContact C-N 3.29Å; G227-S229 PolarHBondContact O-N 2.99Å; S229-G231 VanDerWaalsContact C-N 3.33Å
230L91.1Very high95.7Very high46 Ų4630.7 Ų30.724%0.24117%0.165CC..THydrogen-bonded Turntrans-91.16.1172.1-60.3-176.5000112.9T60 R61 M64 I187 T226 G227 N228T60-L230 HydrophobicContact CG2-CD1 3.95Å; R61-L230 HydrophobicContact CB-CD2 4.23Å; M64-L230 HydrophobicContact SD-CD1 4.07Å; I187-L230 HydrophobicContact CG2-CD1 3.65Å; T226-L230 PolarHBondContact O-N 3.19Å; G227-L230 PolarHBondContact O-N 3.35Å; G227-L230 VanDerWaalsContact O-N 3.09Å; N228-L230 PolarHBondContact O-N 2.77Å
231G91.9Very high95.6Very high66 Ų6630.9 Ų30.968%0.6817%0.166SC*.THydrogen-bonded Turntrans81.913.2179.600000114.7N228 S229N228-G231 PolarHBondContact O-N 2.84Å; S229-G231 VanDerWaalsContact C-N 3.33Å
232I95.6Very high95.4Very high5 Ų530.2 Ų30.23%0.02617%0.166CC..  trans-96.6119.5176.9-49.5171000108.1L195 L198 G227 N228 T234L195-I232 HydrophobicContact CB-CG2 3.97Å; L198-I232 HydrophobicContact CB-CG2 3.72Å; G227-I232 CarbonylContact C-O 3.53Å; G227-I232 PolarHBondContact O-N 3.11Å; G227-I232 VanDerWaalsContact O-N 3.16Å; N228-I232 WeakPolarHBondContact CA-O 3.41Å; N228-I232 PolarHBondContact N-O 3.02Å; N228-I232 PolarHBondContact OD1-O 2.92Å; I232-T234 PolarHBondContact O-N 3.45Å; I232-T234 PolarHBondContact O-OG1 3.25Å
233R96.8Very high95.3Very high60 Ų6030.1 Ų30.123%0.22617%0.17CC..EExtended strand (participates in β ladder)trans-64.2109.3175.3-171.6178.9179.8-172-4.9108.4S196 A197 L198 M284S196-R233 WeakPolarHBondContact O-CB 3.14Å; S196-R233 PolarHBondContact O-N 3.43Å; S196-R233 VanDerWaalsContact O-N 3.09Å; A197-R233 CarbonylContact C-O 3.59Å; A197-R233 VanDerWaalsContact CA-O 3.25Å; A197-R233 WeakPolarHBondContact CA-O 3.34Å; L198-R233 PolarHBondContact N-O 2.86Å; R233-M284 VanDerWaalsContact C-CE 3.5Å; R233-M284 HydrophobicContact CB-CE 4.27Å; R233-M284 HydrophobicContact CG-CE 3.86Å; R233-M284 PolarHBondContact NH1-O 3Å; R233-M284 WeakPolarHBondContact O-CE 3.39Å
234T97.8Very high95.2Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-114.6133.8-170.2-50.90000111L198 L200 M224 N228 I232 S448L198-T234 HydrophobicContact CB-CG2 4.32Å; L198-T234 HydrophobicContact CD2-CG2 4.13Å; L198-T234 HydrophobicContact CG-CG2 4.27Å; L198-T234 WeakPolarHBondContact O-CA 3.38Å; L200-T234 HydrophobicContact CD1-CG2 3.59Å; L200-T234 HydrophobicContact CG-CG2 4.05Å; M224-T234 HydrophobicContact CB-CG2 4.4Å; M224-T234 HydrophobicContact CG-CG2 4.06Å; N228-T234 PolarHBondContact OD1-N 3.04Å; I232-T234 PolarHBondContact O-N 3.45Å; I232-T234 PolarHBondContact O-OG1 3.25Å; T234-S448 WeakPolarHBondContact O-CB 3.32Å; T234-S448 PolarHBondContact O-OG 3.47Å
235G97.9Very high95.1Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-129.3169.6171.100000110.8L198 V199 L200 L446L198-G235 PolarHBondContact O-N 3.29Å; V199-G235 CarbonylContact C-O 3.57Å; V199-G235 WeakPolarHBondContact CA-O 3.24Å; L200-G235 PolarHBondContact N-O 3.36Å; G235-L446 CarbonylContact C-O 3.42Å; G235-L446 WeakPolarHBondContact CA-O 3.34Å
236A98.1Very high95.2Very high0 Ų024.4 Ų24.40%015%0.146CC..EExtended strand (participates in β ladder)trans-141.7153178.800000112.8L200 A220 M224 L446L200-A236 HydrophobicContact CB-CB 4Å; L200-A236 CarbonylContact O-C 3.57Å; L200-A236 WeakPolarHBondContact O-CA 3.27Å; A220-A236 HydrophobicContact CB-CB 3.89Å; M224-A236 HydrophobicContact CG-CB 4.16Å; M224-A236 HydrophobicContact SD-CB 3.72Å; A236-L446 HydrophobicContact CB-CB 4.29Å; A236-L446 HydrophobicContact CB-CD1 4.46Å; A236-L446 PolarHBondContact N-O 3.09Å; A236-L446 PolarHBondContact O-N 2.8Å
237V98.3Very high95.2Very high0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-118.6125.9168.81770000107.3V199 L200 V202 T276 L277 M280 V442 E444 V445V199-V237 HydrophobicContact CG1-CG2 4.28Å; L200-V237 PolarHBondContact O-N 2.81Å; V202-V237 PolarHBondContact N-O 3.26Å; V237-T276 HydrophobicContact CG2-CG2 4.17Å; V237-L277 HydrophobicContact CB-CD2 3.9Å; V237-L277 HydrophobicContact CG2-CD2 3.59Å; V237-L277 HydrophobicContact CG2-CG 4.44Å; V237-M280 HydrophobicContact CG2-CE 4.42Å; V237-M280 HydrophobicContact CG2-SD 3.32Å; V237-M280 WeakPolarHBondContact CG2-SD 3.29Å; V237-V442 HydrophobicContact CG1-CB 4.47Å; V237-V442 HydrophobicContact CG1-CG1 3.92Å; V237-V442 HydrophobicContact CG1-CG2 4.07Å; V237-E444 WeakPolarHBondContact CA-O 3.39Å; V237-V445 HydrophobicContact CG2-CG2 4.43Å
238L97.9Very high95.3Very high0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-88.5113.5169.5-57.1-174.4000107.9V202 F204 L213 A216 K217 A220 A443 E444 L446V202-L238 HydrophobicContact CB-CD2 3.9Å; V202-L238 HydrophobicContact CG1-CD2 4.15Å; V202-L238 WeakPolarHBondContact O-CA 3.49Å; F204-L238 HydrophobicContact CD1-CB 4.45Å; F204-L238 HydrophobicContact CE1-CB 4.46Å; L213-L238 HydrophobicContact CD1-CB 3.96Å; L213-L238 HydrophobicContact CD1-CD1 3.57Å; L213-L238 HydrophobicContact CD1-CG 4.38Å; L213-L238 HydrophobicContact CG-CD1 4.49Å; A216-L238 HydrophobicContact CB-CD2 4.49Å; K217-L238 HydrophobicContact CB-CD1 3.72Å; K217-L238 HydrophobicContact CD-CD1 4.33Å; K217-L238 HydrophobicContact CG-CD1 4.04Å; A220-L238 HydrophobicContact CB-CD2 3.71Å; L238-A443 PolarHBondContact O-N 3.22Å; L238-E444 HydrophobicContact CB-CB 4.2Å; L238-E444 HydrophobicContact CD1-CB 4.1Å; L238-E444 HydrophobicContact CG-CB 4.28Å; L238-E444 PolarHBondContact N-O 3.07Å; L238-E444 PolarHBondContact O-N 3.34Å; L238-L446 HydrophobicContact CD1-CD1 4.28Å; L238-L446 HydrophobicContact CD2-CD1 4.35Å; L238-L446 HydrophobicContact CG-CD1 4.21Å
239S97.1Very high95.5Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-124.4144.4-176.466.70000114.1D201 V202 K203 F204 L441D201-S239 PolarHBondContact OD1-OG 3.37Å; V202-S239 PolarHBondContact O-N 3.41Å; K203-S239 CarbonylContact C-O 3.43Å; K203-S239 VanDerWaalsContact CA-O 3.29Å; K203-S239 WeakPolarHBondContact CA-O 3.39Å; K203-S239 WeakPolarHBondContact CD-OG 3.44Å; K203-S239 PolarHBondContact NZ-OG 3.1Å; F204-S239 VanDerWaalsContact CD1-O 3.29Å; F204-S239 WeakPolarHBondContact CD1-O 3.39Å; F204-S239 PolarHBondContact N-O 3.5Å; S239-L441 CarbonylContact C-O 3.36Å; S239-L441 WeakPolarHBondContact CA-O 3.33Å; S239-L441 VanDerWaalsContact CB-O 3.29Å; S239-L441 WeakPolarHBondContact CB-O 3.23Å
240R95.3Very high95.7Very high93 Ų9325.5 Ų25.535%0.35114%0.141SC..EExtended strand (participates in β ladder)trans-69.6145.6-178.6-68.6179.1179.8-88.91.3111.3F204 L441F204-R240 HydrophobicContact CE1-CG 3.94Å; F204-R240 HydrophobicContact CE2-CG 3.99Å; F204-R240 HydrophobicContact CZ-CB 4.45Å; F204-R240 HydrophobicContact CZ-CG 3.42Å; F204-R240 VanDerWaalsContact CZ-CG 3.42Å; F204-R240 CarbonylContact O-C 3.44Å; F204-R240 WeakPolarHBondContact O-CA 3.34Å; R240-L441 HydrophobicContact CB-CD2 4.25Å; R240-L441 PolarHBondContact N-O 3.42Å
241M95Very high95.9Very high3 Ų323.5 Ų23.52%0.01513%0.131CC..  trans-150.750.7-179.4-173.255.16100109.4V89 K203 F204 A207 A208 I245V89-M241 HydrophobicContact CB-SD 4.39Å; V89-M241 PolarHBondContact N-SD 2.8Å; K203-M241 HydrophobicContact CB-CB 3.89Å; K203-M241 HydrophobicContact CB-CG 4.27Å; K203-M241 HydrophobicContact CD-CE 3.81Å; K203-M241 HydrophobicContact CG-CB 4.37Å; K203-M241 HydrophobicContact CG-CE 4.11Å; K203-M241 HydrophobicContact CG-CG 4.46Å; F204-M241 PolarHBondContact O-N 3.09Å; A207-M241 WeakPolarHBondContact CA-O 3.35Å; A207-M241 HydrophobicContact CB-CG 4.1Å; A207-M241 VanDerWaalsContact CB-O 3.29Å; A207-M241 WeakPolarHBondContact CB-O 3.43Å; A207-M241 PolarHBondContact N-O 2.88Å; A208-M241 HydrophobicContact CB-CB 4.02Å; A208-M241 HydrophobicContact CB-CG 4.28Å; M241-I245 HydrophobicContact CE-CD1 3.31Å; M241-I245 HydrophobicContact CE-CG1 3.58Å
242D91.4Very high96.2Very high76 Ų7620.5 Ų20.541%0.40610%0.099SC..SBendtrans-81.7-42.3170.9-61.8-60.2000110.8G205 G206 G361G205-D242 VanDerWaalsContact CA-OD1 3.24Å; G205-D242 WeakPolarHBondContact CA-OD1 3.34Å; G206-D242 PolarHBondContact N-OD1 2.72Å; D242-G361 PolarHBondContact O-N 3.05Å
243G91.6Very high96.3Very high22 Ų2220.7 Ų20.723%0.22710%0.1CC..SBendtrans-106.7-141.8174.500000113.2V359G243-V359 WeakPolarHBondContact CA-O 3.43Å
244T93.9Very high96.4Very high18 Ų1818 Ų1811%0.119%0.09CC..  trans-103.3150.4178.562.40000110V89 G246 V249 L364 L390V89-T244 HydrophobicContact CG1-CG2 4Å; V89-T244 WeakPolarHBondContact O-CA 3.43Å; T244-G246 PolarHBondContact OG1-O 3.24Å; T244-V249 HydrophobicContact CG2-CG2 3.42Å; T244-V249 VanDerWaalsContact CG2-CG2 3.42Å; T244-L364 HydrophobicContact CG2-CD2 3.8Å; T244-L390 HydrophobicContact CG2-CD1 4.25Å; T244-L390 WeakPolarHBondContact OG1-CD1 3.29Å
245I95.4Very high96.4Very high0 Ų018 Ų180%09%0.09CC..SBendtrans-84.1125.2161.9-61.8171.7000107.6V89 G90 D91 K92 M241 L270 L273 L441V89-I245 PolarHBondContact O-N 3.24Å; G90-I245 WeakPolarHBondContact O-CB 3.48Å; D91-I245 HydrophobicContact CB-CD1 4.09Å; K92-I245 WeakPolarHBondContact CE-O 3.45Å; K92-I245 PolarHBondContact NZ-O 3.39Å; M241-I245 HydrophobicContact CE-CD1 3.31Å; M241-I245 HydrophobicContact CE-CG1 3.58Å; I245-L270 HydrophobicContact CG2-CB 4.14Å; I245-L270 HydrophobicContact CG2-CD1 3.93Å; I245-L273 HydrophobicContact CD1-CD1 3.56Å; I245-L273 HydrophobicContact CG1-CD1 4.13Å; I245-L273 HydrophobicContact CG2-CD1 4.23Å; I245-L441 HydrophobicContact CG1-CD1 3.98Å; I245-L441 HydrophobicContact CG2-CD1 4.28Å
246G95.8Very high96.4Very high4 Ų419.1 Ų19.14%0.04110%0.096CC..SBendtrans65.7-163.3-170.400000112.7T244 D269T244-G246 PolarHBondContact OG1-O 3.24Å; G246-D269 PolarHBondContact N-OD1 3.39Å; G246-D269 PolarHBondContact N-OD2 3.26Å
247R96.7Very high96.5Very high114 Ų11419.9 Ų19.943%0.4310%0.099SC..SBendtrans-103.9-19.7-174.6-61.7-178.1172.2127.82113.4E257 E389 L390 S393R247-E257 WeakPolarHBondContact CA-OE1 3.35Å; R247-E257 WeakPolarHBondContact CB-OE1 3.35Å; R247-E257 PolarHBondContact N-OE1 3.39Å; R247-E257 PolarHBondContact N-OE2 3.41Å; R247-E389 CarbonylContact O-C 3.15Å; R247-E389 WeakPolarHBondContact O-CA 3.38Å; R247-L390 HydrophobicContact CB-CB 4.17Å; R247-L390 PolarHBondContact O-N 3.45Å; R247-S393 PolarHBondContact NE-OG 2.66Å; R247-S393 PolarHBondContact NH2-OG 2.56Å
248C97.8Very high96.5Very high12 Ų1219.9 Ų19.98%0.08110%0.099CC..EExtended strand (participates in β ladder)trans-99.6134.6-177.2-70.40000112.5K92 L253 E254 E257K92-C248 PolarHBondContact NZ-O 3.39Å; C248-L253 HydrophobicContact CB-CB 3.9Å; C248-L253 WeakPolarHBondContact CB-O 3.43Å; C248-E254 HydrophobicContact CB-CG 4.33Å; C248-E254 WeakPolarHBondContact O-CG 3.29Å; C248-E257 HydrophobicContact CB-CB 4.03Å; C248-E257 PolarHBondContact N-OE1 3.19Å; C248-E257 PolarHBondContact N-OE2 3.17Å
249V97.7Very high96.5Very high10 Ų1019.9 Ų19.96%0.06110%0.099CC..EExtended strand (participates in β ladder)trans-126.5125.9170.3-176.10000109.4V89 T244 L364 L368 G387 A388V89-V249 HydrophobicContact CG1-CB 4.42Å; V89-V249 HydrophobicContact CG1-CG1 3.65Å; V89-V249 HydrophobicContact CG1-CG2 3.81Å; T244-V249 HydrophobicContact CG2-CG2 3.42Å; T244-V249 VanDerWaalsContact CG2-CG2 3.42Å; V249-L364 HydrophobicContact CB-CD2 4.31Å; V249-L364 HydrophobicContact CG2-CD2 3.8Å; V249-L368 HydrophobicContact CB-CD1 3.83Å; V249-L368 HydrophobicContact CG1-CD1 3.62Å; V249-G387 CarbonylContact O-C 3.47Å; V249-G387 WeakPolarHBondContact O-CA 3.35Å; V249-A388 PolarHBondContact N-O 3.14Å; V249-A388 PolarHBondContact O-N 3.35Å
250G95.9Very high96.6Very high7 Ų722.1 Ų22.17%0.07211%0.11CC..EExtended strand (participates in β ladder)trans144.5-148.8-177.300000111.5E254G250-E254 PolarHBondContact N-OE1 3.28Å; G250-E254 VanDerWaalsContact O-CD 3.26Å; G250-E254 WeakPolarHBondContact O-CG 3.5Å
251N96.3Very high96.7Very high4 Ų417.7 Ų17.72%0.0219%0.093CC..SBendtrans-110.6-74.6-179.2-57.3-75.1000110.9L253 E254 V255 A373 H384N251-L253 VanDerWaalsContact C-N 3.29Å; N251-L253 PolarHBondContact O-N 3.03Å; N251-E254 PolarHBondContact O-N 2.82Å; N251-E254 VanDerWaalsContact O-N 3.1Å; N251-V255 PolarHBondContact O-N 3.2Å; N251-V255 VanDerWaalsContact O-N 3.09Å; N251-A373 PolarHBondContact ND2-O 2.84Å; N251-H384 HydrophobicContact CB-CB 4.07Å
252S97.1Very high96.9Very high2 Ų217.5 Ų17.51%0.0149%0.093CC..Hα-helixtrans-58.1-40.5178.8-64.50000112.4S128 E254 V255 I256 H384S128-S252 WeakPolarHBondContact CB-OG 3.27Å; S252-E254 VanDerWaalsContact C-N 3.3Å; S252-E254 PolarHBondContact O-N 3.17Å; S252-V255 PolarHBondContact O-N 2.96Å; S252-I256 VanDerWaalsContact O-CG1 3.3Å; S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 3.02Å; S252-H384 WeakPolarHBondContact CB-O 3.5Å; S252-H384 PolarHBondContact N-O 3.35Å; S252-H384 PolarHBondContact OG-O 3.31Å
253L98.1Very high97.2Very high9 Ų915.8 Ų15.85%0.0478%0.081CC..Hα-helixtrans-62.5-37.2178.8-64.5176.6000112.3C248 N251 I256 E257 Y336 H408C248-L253 HydrophobicContact CB-CB 3.9Å; C248-L253 WeakPolarHBondContact CB-O 3.43Å; N251-L253 VanDerWaalsContact C-N 3.29Å; N251-L253 PolarHBondContact O-N 3.03Å; L253-I256 PolarHBondContact O-N 3.39Å; L253-E257 PolarHBondContact O-N 3.23Å; L253-Y336 WeakPolarHBondContact CD2-OH 3.48Å; L253-H408 HydrophobicContact CD1-CB 4.48Å
254E98.5Very high97.4Very high3 Ų316.1 Ų16.11%0.0149%0.085CC..Hα-helixtrans-74.9-31.5178.1-71.4-166.3-136.200112.3G90 K92 K125 C248 G250 N251 S252 S258G90-E254 WeakPolarHBondContact CA-OE1 3.42Å; G90-E254 WeakPolarHBondContact CA-OE2 3.41Å; K92-E254 HydrophobicContact CB-CB 4.2Å; K92-E254 HydrophobicContact CD-CB 4.16Å; K92-E254 HydrophobicContact CD-CG 4.27Å; K125-E254 HydrophobicContact CD-CB 4.07Å; K125-E254 WeakPolarHBondContact CE-OE2 3.41Å; K125-E254 HydrophobicContact CG-CB 4.35Å; K125-E254 IonicContact NZ-OE1 3.65Å; K125-E254 IonicContact NZ-OE2 2.63Å; K125-E254 PolarHBondContact NZ-OE2 3Å; C248-E254 HydrophobicContact CB-CG 4.33Å; C248-E254 WeakPolarHBondContact O-CG 3.29Å; G250-E254 PolarHBondContact N-OE1 3.28Å; G250-E254 VanDerWaalsContact O-CD 3.26Å; G250-E254 WeakPolarHBondContact O-CG 3.5Å; N251-E254 PolarHBondContact O-N 2.82Å; N251-E254 VanDerWaalsContact O-N 3.1Å; S252-E254 VanDerWaalsContact C-N 3.3Å; S252-E254 PolarHBondContact O-N 3.17Å; E254-S258 WeakPolarHBondContact O-CB 3.29Å; E254-S258 PolarHBondContact O-N 3.44Å; E254-S258 PolarHBondContact O-OG 3.07Å
255V98.6Very high97.5Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-64-43.9169172.10000110.9L95 K125 S128 I129 N251 S252 S258 L259 L339L95-V255 HydrophobicContact CD2-CG2 3.93Å; K125-V255 HydrophobicContact CB-CG2 4.18Å; K125-V255 WeakPolarHBondContact O-CG2 3.46Å; S128-V255 WeakPolarHBondContact OG-CG2 3.47Å; I129-V255 HydrophobicContact CD1-CG1 3.89Å; I129-V255 HydrophobicContact CD1-CG2 4.47Å; I129-V255 HydrophobicContact CG1-CG1 3.85Å; I129-V255 HydrophobicContact CG1-CG2 4.42Å; N251-V255 PolarHBondContact O-N 3.2Å; N251-V255 VanDerWaalsContact O-N 3.09Å; S252-V255 PolarHBondContact O-N 2.96Å; V255-S258 WeakPolarHBondContact O-CB 3.33Å; V255-S258 PolarHBondContact O-N 3.02Å; V255-L259 HydrophobicContact CG1-CD1 3.93Å; V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 2.73Å; V255-L339 HydrophobicContact CB-CD1 4.47Å; V255-L339 HydrophobicContact CG1-CD1 4.11Å
256I98.4Very high97.4Very high24 Ų2421.5 Ų21.512%0.12312%0.118CC..Hα-helixtrans-58.7-51.3176.6-69.7167.9000110.5S252 L253 S258 L259 E260 Y335 Y336 L339S252-I256 VanDerWaalsContact O-CG1 3.3Å; S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 3.02Å; L253-I256 PolarHBondContact O-N 3.39Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 3.34Å; I256-L259 PolarHBondContact O-N 3.44Å; I256-L259 VanDerWaalsContact O-N 3.15Å; I256-E260 PolarHBondContact O-N 3.13Å; I256-Y335 HydrophobicContact CB-CD2 4.43Å; I256-Y335 HydrophobicContact CD1-CG 4.25Å; I256-Y335 HydrophobicContact CG1-CD1 4.16Å; I256-Y335 HydrophobicContact CG1-CD2 4.11Å; I256-Y335 HydrophobicContact CG1-CG 3.76Å; I256-Y335 HydrophobicContact CG2-CD2 3.66Å; I256-Y335 HydrophobicContact CG2-CE2 3.77Å; I256-Y335 HydrophobicContact CG2-CG 4.2Å; I256-Y336 HydrophobicContact CD1-CE1 4.1Å; I256-L339 HydrophobicContact CD1-CD1 4.1Å; I256-L339 HydrophobicContact CG1-CD1 3.58Å
257E98.6Very high97.4Very high16 Ų1621.8 Ų21.88%0.07512%0.119CC..Hα-helixtrans-64.2-32.7179.6-170.8170.8-119.100112.4K92 R247 C248 L253 T261 P267K92-E257 HydrophobicContact CD-CB 4.13Å; K92-E257 HydrophobicContact CD-CG 4.24Å; K92-E257 VanDerWaalsContact CD-OE2 3.27Å; K92-E257 WeakPolarHBondContact CD-OE2 3.5Å; K92-E257 WeakPolarHBondContact CE-OE2 3.39Å; K92-E257 IonicContact NZ-OE2 3.19Å; K92-E257 PolarHBondContact NZ-OE2 2.84Å; R247-E257 WeakPolarHBondContact CA-OE1 3.35Å; R247-E257 WeakPolarHBondContact CB-OE1 3.35Å; R247-E257 PolarHBondContact N-OE1 3.39Å; R247-E257 PolarHBondContact N-OE2 3.41Å; C248-E257 HydrophobicContact CB-CB 4.03Å; C248-E257 PolarHBondContact N-OE1 3.19Å; C248-E257 PolarHBondContact N-OE2 3.17Å; L253-E257 PolarHBondContact O-N 3.23Å; E257-T261 WeakPolarHBondContact O-CB 3.29Å; E257-T261 PolarHBondContact O-N 3.17Å; E257-T261 PolarHBondContact O-OG1 3.07Å; E257-P267 HydrophobicContact CG-CG 3.95Å; E257-P267 WeakPolarHBondContact OE1-CG 3.11Å
258S98.7Very high97.3Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-66-42.8173.3-57.40000112K92 L95 E254 V255 I256 T261 L262K92-S258 WeakPolarHBondContact CB-OG 3.41Å; K92-S258 WeakPolarHBondContact CG-OG 3.46Å; L95-S258 WeakPolarHBondContact CB-OG 3.39Å; L95-S258 WeakPolarHBondContact CD2-OG 3.1Å; E254-S258 WeakPolarHBondContact O-CB 3.29Å; E254-S258 PolarHBondContact O-N 3.44Å; E254-S258 PolarHBondContact O-OG 3.07Å; V255-S258 WeakPolarHBondContact O-CB 3.33Å; V255-S258 PolarHBondContact O-N 3.02Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 3.34Å; S258-T261 WeakPolarHBondContact O-CB 3.34Å; S258-T261 PolarHBondContact O-N 3.03Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.19Å
259L98.6Very high97.2Very high0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-66.4-42.1176.8-74.7164.4000111.4V255 I256 T261 L262 K263 L308 F311 L328 Y335V255-L259 HydrophobicContact CG1-CD1 3.93Å; V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 2.73Å; I256-L259 PolarHBondContact O-N 3.44Å; I256-L259 VanDerWaalsContact O-N 3.15Å; L259-T261 VanDerWaalsContact C-N 3.31Å; L259-T261 PolarHBondContact O-N 3.33Å; L259-L262 PolarHBondContact O-N 3.34Å; L259-K263 WeakPolarHBondContact O-CG 3.46Å; L259-K263 PolarHBondContact O-N 2.86Å; L259-L308 HydrophobicContact CD2-CD1 4.18Å; L259-F311 HydrophobicContact CD2-CD1 3.67Å; L259-F311 HydrophobicContact CD2-CE1 3.66Å; L259-F311 HydrophobicContact CG-CE1 4.27Å; L259-L328 HydrophobicContact CD1-CB 4.01Å; L259-L328 HydrophobicContact CD1-CD2 4.18Å; L259-Y335 HydrophobicContact CB-CE1 3.99Å; L259-Y335 VanDerWaalsContact CB-OH 3.31Å; L259-Y335 WeakPolarHBondContact CB-OH 3.44Å; L259-Y335 HydrophobicContact CD1-CD1 4.23Å; L259-Y335 HydrophobicContact CD1-CE1 3.6Å; L259-Y335 HydrophobicContact CG-CE1 4.42Å
260E98.3Very high97.2Very high47 Ų4724.3 Ų24.322%0.2214%0.139CC..Hα-helixtrans-64.7-36.6174.1-74.4-57133.100111.8I256 L262 K263 G264 N265 Y335I256-E260 PolarHBondContact O-N 3.13Å; E260-L262 PolarHBondContact O-N 3.21Å; E260-K263 CarbonylContact O-C 3.54Å; E260-K263 WeakPolarHBondContact O-CB 3.45Å; E260-K263 PolarHBondContact O-N 3.48Å; E260-K263 VanDerWaalsContact O-N 3.12Å; E260-K263 IonicContact OE1-NZ 3.73Å; E260-K263 PolarHBondContact OE1-NZ 3.14Å; E260-K263 VanDerWaalsContact OE1-NZ 3.08Å; E260-G264 PolarHBondContact O-N 3.4Å; E260-N265 HydrophobicContact CB-CB 4.38Å; E260-N265 WeakPolarHBondContact O-CA 3.34Å; E260-N265 PolarHBondContact O-N 2.95Å; E260-N265 PolarHBondContact OE2-ND2 3.22Å; E260-Y335 HydrophobicContact CG-CE2 4.06Å; E260-Y335 VanDerWaalsContact OE1-CE2 3.32Å; E260-Y335 WeakPolarHBondContact OE1-CE2 3.37Å; E260-Y335 PolarHBondContact OE1-OH 3.12Å
261T98.6Very high97.2Very high0 Ų024.7 Ų24.70%014%0.139CC..Hα-helixtrans-62.1-43.9171.6-56.40000111.7V96 E257 S258 L259 K263 G264 G266 L270 M271 V302V96-T261 HydrophobicContact CG1-CG2 3.92Å; V96-T261 HydrophobicContact CG2-CG2 4.01Å; E257-T261 WeakPolarHBondContact O-CB 3.29Å; E257-T261 PolarHBondContact O-N 3.17Å; E257-T261 PolarHBondContact O-OG1 3.07Å; S258-T261 WeakPolarHBondContact O-CB 3.34Å; S258-T261 PolarHBondContact O-N 3.03Å; L259-T261 VanDerWaalsContact C-N 3.31Å; L259-T261 PolarHBondContact O-N 3.33Å; T261-K263 PolarHBondContact O-N 2.86Å; T261-G264 PolarHBondContact O-N 3.46Å; T261-G266 VanDerWaalsContact OG1-CA 3.24Å; T261-G266 WeakPolarHBondContact OG1-CA 3.05Å; T261-L270 HydrophobicContact CG2-CD2 4.22Å; T261-L270 HydrophobicContact CG2-CG 4.47Å; T261-L270 WeakPolarHBondContact OG1-CD2 3.16Å; T261-M271 HydrophobicContact CG2-CE 3.69Å; T261-V302 WeakPolarHBondContact O-CG1 3.48Å
262L98.6Very high97.3Very high0 Ų026.3 Ų26.30%015%0.147CC..Hα-helixtrans-65.7-18.4175.6-72.6167.3000113.5V96 P99 S258 L259 E260 A307 L308 F311V96-L262 HydrophobicContact CB-CD2 4.47Å; V96-L262 HydrophobicContact CG1-CD2 3.84Å; V96-L262 HydrophobicContact CG1-CG 4.19Å; V96-L262 HydrophobicContact CG2-CG 4.45Å; P99-L262 HydrophobicContact CG-CD1 4.44Å; P99-L262 HydrophobicContact CG-CD2 4.11Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.19Å; L259-L262 PolarHBondContact O-N 3.34Å; E260-L262 PolarHBondContact O-N 3.21Å; L262-A307 HydrophobicContact CD2-CB 3.52Å; L262-L308 HydrophobicContact CB-CB 4.15Å; L262-L308 HydrophobicContact CB-CD1 3.77Å; L262-L308 HydrophobicContact CD1-CD1 4.48Å; L262-F311 HydrophobicContact CD1-CB 3.73Å; L262-F311 HydrophobicContact CD1-CD1 4.08Å; L262-F311 HydrophobicContact CD1-CD2 4.04Å; L262-F311 HydrophobicContact CD1-CG 3.68Å
263K97.6Very high97.3Very high39 Ų3926.2 Ų26.217%0.1715%0.146CC..THydrogen-bonded Turntrans-91.1-1.7170.8-66.3170.2-170.9178.80113.3L259 E260 T261 L308 S330 Y335L259-K263 WeakPolarHBondContact O-CG 3.46Å; L259-K263 PolarHBondContact O-N 2.86Å; E260-K263 CarbonylContact O-C 3.54Å; E260-K263 WeakPolarHBondContact O-CB 3.45Å; E260-K263 PolarHBondContact O-N 3.48Å; E260-K263 VanDerWaalsContact O-N 3.12Å; E260-K263 IonicContact OE1-NZ 3.73Å; E260-K263 PolarHBondContact OE1-NZ 3.14Å; E260-K263 VanDerWaalsContact OE1-NZ 3.08Å; T261-K263 PolarHBondContact O-N 2.86Å; K263-L308 HydrophobicContact CG-CD1 4.48Å; K263-L308 HydrophobicContact CG-CD2 3.79Å; K263-S330 WeakPolarHBondContact CE-O 3.29Å; K263-S330 PolarHBondContact NZ-O 3.15Å; K263-Y335 WeakPolarHBondContact CE-OH 3.16Å; K263-Y335 PolarHBondContact NZ-OH 3.19Å
264G95.9Very high97.4Very high29 Ų2925.8 Ų25.830%0.29914%0.144SC..THydrogen-bonded Turntrans88.78.2-179.100000115.9E260 T261 I303E260-G264 PolarHBondContact O-N 3.4Å; T261-G264 PolarHBondContact O-N 3.46Å; G264-I303 VanDerWaalsContact CA-CD1 3.45Å
265N95.4Very high97.4Very high113 Ų11327.1 Ų27.160%0.60415%0.151SC*.  trans-104.925.8179.4-55.9-39.7000112.7E260E260-N265 HydrophobicContact CB-CB 4.38Å; E260-N265 WeakPolarHBondContact O-CA 3.34Å; E260-N265 PolarHBondContact O-N 2.95Å; E260-N265 PolarHBondContact OE2-ND2 3.22Å
266G94.6Very high97.4Very high19 Ų1927.1 Ų27.120%0.19615%0.151CC..  trans-79.8162.3-174.700000114T261T261-G266 VanDerWaalsContact OG1-CA 3.24Å; T261-G266 WeakPolarHBondContact OG1-CA 3.05Å
267P95.7Very high97.4Very high10 Ų1026 Ų267%0.06515%0.145CC..  trans-61.3141.5167.4-2233.9000112.6E257 D269 L270 M271E257-P267 HydrophobicContact CG-CG 3.95Å; E257-P267 WeakPolarHBondContact OE1-CG 3.11Å; P267-D269 VanDerWaalsContact C-N 3.3Å; P267-D269 WeakPolarHBondContact CB-OD1 3.47Å; P267-D269 PolarHBondContact O-N 3.47Å; P267-L270 HydrophobicContact CB-CB 4.26Å; P267-L270 PolarHBondContact O-N 3.29Å; P267-M271 PolarHBondContact O-N 2.89Å
268D94.4Very high97.4Very high146 Ų14625.2 Ų25.278%0.78114%0.141SC*.Hα-helixtrans-61.5-36.9-177.7-67-33.6000112.8M271 E272D268-M271 PolarHBondContact O-N 2.91Å; D268-E272 WeakPolarHBondContact O-CB 3.47Å; D268-E272 PolarHBondContact O-N 2.78Å
269D95.1Very high97.4Very high42 Ų4225.2 Ų25.223%0.22514%0.141CC..Hα-helixtrans-69.7-42-178.970.5-44.3000111.8G246 P267 E272 L273 L441G246-D269 PolarHBondContact N-OD1 3.39Å; G246-D269 PolarHBondContact N-OD2 3.26Å; P267-D269 VanDerWaalsContact C-N 3.3Å; P267-D269 WeakPolarHBondContact CB-OD1 3.47Å; P267-D269 PolarHBondContact O-N 3.47Å; D269-E272 PolarHBondContact O-N 3.21Å; D269-L273 PolarHBondContact O-N 3.36Å; D269-L441 HydrophobicContact CB-CD1 3.61Å; D269-L441 HydrophobicContact CB-CG 3.98Å
270L97.3Very high97.4Very high0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-61.4-45.6170.9175.858.3000111K92 V93 I245 T261 P267 E272 L273 V274K92-L270 HydrophobicContact CD-CD2 3.96Å; K92-L270 HydrophobicContact CG-CD1 4.1Å; K92-L270 HydrophobicContact CG-CD2 3.72Å; V93-L270 HydrophobicContact CB-CD1 4.39Å; V93-L270 HydrophobicContact CG2-CD1 3.68Å; I245-L270 HydrophobicContact CG2-CB 4.14Å; I245-L270 HydrophobicContact CG2-CD1 3.93Å; T261-L270 HydrophobicContact CG2-CD2 4.22Å; T261-L270 HydrophobicContact CG2-CG 4.47Å; T261-L270 WeakPolarHBondContact OG1-CD2 3.16Å; P267-L270 HydrophobicContact CB-CB 4.26Å; P267-L270 PolarHBondContact O-N 3.29Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 3.26Å; L270-L273 PolarHBondContact O-N 3.17Å; L270-V274 HydrophobicContact CD1-CG2 4.19Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.27Å
271M97.7Very high97.4Very high15 Ų1523 Ų237%0.07413%0.131CC..Hα-helixtrans-63.7-40.3178.8-167.462.477.400111.7T261 P267 D268 L273 V274 M275 Y299 V302 I303T261-M271 HydrophobicContact CG2-CE 3.69Å; P267-M271 PolarHBondContact O-N 2.89Å; D268-M271 PolarHBondContact O-N 2.91Å; M271-L273 VanDerWaalsContact C-N 3.34Å; M271-L273 PolarHBondContact O-N 3.41Å; M271-V274 PolarHBondContact O-N 3.26Å; M271-M275 HydrophobicContact CG-CE 3.93Å; M271-M275 HydrophobicContact CG-CG 4.24Å; M271-M275 HydrophobicContact CG-SD 4.2Å; M271-M275 WeakPolarHBondContact O-CB 3.42Å; M271-M275 WeakPolarHBondContact O-CE 3.49Å; M271-M275 VanDerWaalsContact O-CG 3.27Å; M271-M275 WeakPolarHBondContact O-CG 2.64Å; M271-M275 PolarHBondContact O-N 3Å; M271-M275 HydrophobicContact SD-CG 4.4Å; M271-Y299 HydrophobicContact CG-CD2 4.47Å; M271-V302 HydrophobicContact CE-CG1 3.69Å; M271-V302 HydrophobicContact SD-CG1 4.28Å; M271-I303 HydrophobicContact CE-CD1 4.34Å
272E97.4Very high97.4Very high38 Ų3823 Ų2318%0.17813%0.131CC..Hα-helixtrans-55.2-48.3175.6-179.9-177.8-142.400111.8D268 D269 L270 T276 T440 L441 V442D268-E272 WeakPolarHBondContact O-CB 3.47Å; D268-E272 PolarHBondContact O-N 2.78Å; D269-E272 PolarHBondContact O-N 3.21Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 3.26Å; E272-T276 VanDerWaalsContact O-CB 3.31Å; E272-T276 WeakPolarHBondContact O-CB 3.48Å; E272-T276 PolarHBondContact O-N 2.76Å; E272-T276 PolarHBondContact O-OG1 2.99Å; E272-T440 VanDerWaalsContact CD-OG1 3.24Å; E272-T440 WeakPolarHBondContact OE1-CB 3.38Å; E272-T440 PolarHBondContact OE1-OG1 3.25Å; E272-T440 WeakPolarHBondContact OE2-CA 3.49Å; E272-T440 PolarHBondContact OE2-OG1 2.72Å; E272-L441 PolarHBondContact OE2-N 3.18Å; E272-V442 HydrophobicContact CG-CG2 4.28Å
273L97.9Very high97.3Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-66.2-46.1178-76.7177.2000112.1V93 I245 D269 L270 M271 M275 T276 L277 L441 V442V93-L273 HydrophobicContact CG2-CB 4.07Å; V93-L273 HydrophobicContact CG2-CD1 4.19Å; I245-L273 HydrophobicContact CD1-CD1 3.56Å; I245-L273 HydrophobicContact CG1-CD1 4.13Å; I245-L273 HydrophobicContact CG2-CD1 4.23Å; D269-L273 PolarHBondContact O-N 3.36Å; L270-L273 PolarHBondContact O-N 3.17Å; M271-L273 VanDerWaalsContact C-N 3.34Å; M271-L273 PolarHBondContact O-N 3.41Å; L273-M275 PolarHBondContact O-N 3.38Å; L273-T276 PolarHBondContact O-N 3.14Å; L273-L277 HydrophobicContact CB-CD1 4.41Å; L273-L277 WeakPolarHBondContact O-CB 3.15Å; L273-L277 WeakPolarHBondContact O-CD1 3.39Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.14Å; L273-L277 PolarHBondContact O-N 2.8Å; L273-L441 HydrophobicContact CD1-CB 4.24Å; L273-L441 HydrophobicContact CD1-CD1 3.56Å; L273-L441 HydrophobicContact CD2-CB 4.26Å; L273-L441 HydrophobicContact CG-CB 4.08Å; L273-L441 HydrophobicContact CG-CD1 4.01Å; L273-V442 HydrophobicContact CD2-CG2 3.7Å
274V98.7Very high97.3Very high0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-57.2-49.3178.2168.80000110.6V93 V96 L97 L270 M271 G278 I298V93-V274 HydrophobicContact CG1-CG2 4.01Å; V96-V274 HydrophobicContact CB-CG2 3.93Å; V96-V274 HydrophobicContact CG1-CG1 3.93Å; V96-V274 HydrophobicContact CG1-CG2 4.01Å; L97-V274 HydrophobicContact CD1-CG1 4.43Å; L270-V274 HydrophobicContact CD1-CG2 4.19Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.27Å; M271-V274 PolarHBondContact O-N 3.26Å; V274-G278 PolarHBondContact O-N 3Å; V274-I298 HydrophobicContact CG1-CG2 3.82Å
275M98.6Very high97.3Very high31 Ų3122.5 Ų22.515%0.15312%0.123CC..Hα-helixtrans-61.6-45.9178-71.3-174.9-64.700111.7M271 L273 G279 R295 Y299M271-M275 HydrophobicContact CG-CE 3.93Å; M271-M275 HydrophobicContact CG-CG 4.24Å; M271-M275 HydrophobicContact CG-SD 4.2Å; M271-M275 WeakPolarHBondContact O-CB 3.42Å; M271-M275 WeakPolarHBondContact O-CE 3.49Å; M271-M275 VanDerWaalsContact O-CG 3.27Å; M271-M275 WeakPolarHBondContact O-CG 2.64Å; M271-M275 PolarHBondContact O-N 3Å; M271-M275 HydrophobicContact SD-CG 4.4Å; L273-M275 PolarHBondContact O-N 3.38Å; M275-G279 WeakPolarHBondContact O-CA 3.42Å; M275-G279 PolarHBondContact O-N 2.88Å; M275-R295 HydrophobicContact CB-CB 4.19Å; M275-R295 HydrophobicContact CB-CG 4.16Å; M275-R295 VanDerWaalsContact O-CG 3.31Å; M275-R295 WeakPolarHBondContact O-CG 3.35Å; M275-Y299 HydrophobicContact SD-CD2 3.72Å; M275-Y299 HydrophobicContact SD-CG 4.14Å
276T98.6Very high97.3Very high0 Ų021.9 Ų21.90%012%0.119CC..Hα-helixtrans-65.9-50.7-175.9-58.70000111.3V237 E272 L273 G279 M280 R295 V442 V445V237-T276 HydrophobicContact CG2-CG2 4.17Å; E272-T276 VanDerWaalsContact O-CB 3.31Å; E272-T276 WeakPolarHBondContact O-CB 3.48Å; E272-T276 PolarHBondContact O-N 2.76Å; E272-T276 PolarHBondContact O-OG1 2.99Å; L273-T276 PolarHBondContact O-N 3.14Å; T276-G279 PolarHBondContact O-N 3.07Å; T276-M280 WeakPolarHBondContact O-CG 3.4Å; T276-M280 PolarHBondContact O-N 2.93Å; T276-R295 PolarHBondContact OG1-NH1 2.74Å; T276-V442 HydrophobicContact CG2-CG1 4.3Å; T276-V442 HydrophobicContact CG2-CG2 4.14Å; T276-V445 HydrophobicContact CG2-CG2 4.04Å
277L98.7Very high97.4Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-64.5-44.2-179.7-66.3164.2000111.3K83 V93 L97 V199 D201 V237 L273 L281K83-L277 HydrophobicContact CD-CD1 4.43Å; K83-L277 HydrophobicContact CG-CD1 4.28Å; K83-L277 HydrophobicContact CG-CD2 4.36Å; V93-L277 HydrophobicContact CG1-CD1 3.68Å; L97-L277 HydrophobicContact CD2-CB 3.88Å; L97-L277 HydrophobicContact CD2-CD1 4.46Å; V199-L277 HydrophobicContact CG1-CD2 3.47Å; V199-L277 VanDerWaalsContact CG1-CD2 3.47Å; D201-L277 HydrophobicContact CB-CD1 4.24Å; D201-L277 HydrophobicContact CB-CD2 3.98Å; V237-L277 HydrophobicContact CB-CD2 3.9Å; V237-L277 HydrophobicContact CG2-CD2 3.59Å; V237-L277 HydrophobicContact CG2-CG 4.44Å; L273-L277 HydrophobicContact CB-CD1 4.41Å; L273-L277 WeakPolarHBondContact O-CB 3.15Å; L273-L277 WeakPolarHBondContact O-CD1 3.39Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.14Å; L273-L277 PolarHBondContact O-N 2.8Å; L277-L281 PolarHBondContact O-N 2.83Å
278G98.7Very high97.5Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-66.9-42.817800000112.4V274 M280 L281 L282V274-G278 PolarHBondContact O-N 3Å; G278-M280 VanDerWaalsContact C-N 3.32Å; G278-M280 PolarHBondContact O-N 2.88Å; G278-L281 PolarHBondContact O-N 2.81Å; G278-L281 VanDerWaalsContact O-N 3.09Å; G278-L282 WeakPolarHBondContact O-CG 3.39Å; G278-L282 PolarHBondContact O-N 3.27Å
279G98.6Very high97.6Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-61.5-38.617800000113M275 T276 L282 E283M275-G279 WeakPolarHBondContact O-CA 3.42Å; M275-G279 PolarHBondContact O-N 2.88Å; T276-G279 PolarHBondContact O-N 3.07Å; G279-L282 PolarHBondContact O-N 2.91Å; G279-E283 WeakPolarHBondContact O-CB 3.49Å; G279-E283 PolarHBondContact O-N 3.31Å
280M98.3Very high97.7Very high0 Ų020.9 Ų20.90%012%0.119CC..Hα-helixtrans-60.7-46171.8-73.7179.372.800111.6V199 V237 T276 G278 L282 E283 M284 L291 V445 Q447V199-M280 HydrophobicContact CG1-CE 4.23Å; V199-M280 HydrophobicContact CG1-SD 4.03Å; V199-M280 HydrophobicContact CG2-CB 3.79Å; V199-M280 HydrophobicContact CG2-CE 4.23Å; V237-M280 HydrophobicContact CG2-CE 4.42Å; V237-M280 HydrophobicContact CG2-SD 3.32Å; V237-M280 WeakPolarHBondContact CG2-SD 3.29Å; T276-M280 WeakPolarHBondContact O-CG 3.4Å; T276-M280 PolarHBondContact O-N 2.93Å; G278-M280 VanDerWaalsContact C-N 3.32Å; G278-M280 PolarHBondContact O-N 2.88Å; M280-L282 PolarHBondContact O-N 2.89Å; M280-E283 PolarHBondContact O-N 3.47Å; M280-M284 HydrophobicContact CB-SD 4.44Å; M280-M284 WeakPolarHBondContact O-CB 3.27Å; M280-M284 WeakPolarHBondContact O-CG 3.15Å; M280-M284 PolarHBondContact O-N 3.48Å; M280-L291 HydrophobicContact CB-CD1 4.43Å; M280-L291 HydrophobicContact CG-CD1 3.7Å; M280-V445 HydrophobicContact CE-CG1 3.65Å; M280-V445 HydrophobicContact CG-CG1 4.23Å; M280-V445 HydrophobicContact SD-CG1 3.53Å; M280-V445 VanDerWaalsContact SD-CG1 3.53Å; M280-Q447 HydrophobicContact CE-CG 3.96Å
281L98.5Very high97.6Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-64.4-38.8179.3-75.3172000112.6V81 L101 A197 V199 L277 G278 M284 T285V81-L281 HydrophobicContact CB-CD1 4.33Å; V81-L281 HydrophobicContact CB-CD2 3.99Å; V81-L281 HydrophobicContact CG1-CD2 4.33Å; V81-L281 HydrophobicContact CG2-CD1 4.37Å; L101-L281 HydrophobicContact CD1-CD1 3.6Å; L101-L281 HydrophobicContact CD2-CB 3.91Å; L101-L281 HydrophobicContact CD2-CD1 4.12Å; A197-L281 HydrophobicContact CB-CD2 3.97Å; V199-L281 HydrophobicContact CB-CD2 4.14Å; V199-L281 HydrophobicContact CB-CG 4.11Å; V199-L281 HydrophobicContact CG2-CD2 3.56Å; V199-L281 HydrophobicContact CG2-CG 3.63Å; L277-L281 PolarHBondContact O-N 2.83Å; G278-L281 PolarHBondContact O-N 2.81Å; G278-L281 VanDerWaalsContact O-N 3.09Å; L281-M284 PolarHBondContact O-N 3.29Å; L281-T285 WeakPolarHBondContact O-CG2 3.47Å; L281-T285 PolarHBondContact O-N 2.8Å; L281-T285 PolarHBondContact O-OG1 3.13Å
282L98.6Very high97.6Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-65.7-39.9175.2-63.2-175000112L101 C104 G278 G279 M280 T285 N286 L287 A288 Q297 I298L101-L282 HydrophobicContact CD2-CD2 4.25Å; C104-L282 HydrophobicContact CB-CD1 3.99Å; C104-L282 HydrophobicContact CB-CD2 3.71Å; G278-L282 WeakPolarHBondContact O-CG 3.39Å; G278-L282 PolarHBondContact O-N 3.27Å; G279-L282 PolarHBondContact O-N 2.91Å; M280-L282 PolarHBondContact O-N 2.89Å; L282-T285 PolarHBondContact O-OG1 3.45Å; L282-N286 PolarHBondContact O-N 2.99Å; L282-N286 VanDerWaalsContact O-N 3.12Å; L282-L287 HydrophobicContact CB-CB 4.35Å; L282-L287 HydrophobicContact CD2-CB 4.04Å; L282-L287 HydrophobicContact CD2-CD1 3.98Å; L282-L287 PolarHBondContact O-N 2.91Å; L282-A288 HydrophobicContact CB-CB 3.77Å; L282-A288 PolarHBondContact O-N 3.25Å; L282-Q297 HydrophobicContact CD1-CB 3.82Å; L282-I298 HydrophobicContact CD1-CD1 3.94Å; L282-I298 HydrophobicContact CD1-CG1 3.84Å; L282-I298 HydrophobicContact CG-CD1 4.36Å
283E97.8Very high97.7Very high33 Ų3328.7 Ų28.715%0.15417%0.168CC..Hα-helixtrans-64.6-43.9172.8173.9176.1-150.900111.8G279 M280 T285 N286 L291 Q447G279-E283 WeakPolarHBondContact O-CB 3.49Å; G279-E283 PolarHBondContact O-N 3.31Å; M280-E283 PolarHBondContact O-N 3.47Å; E283-T285 PolarHBondContact O-N 2.93Å; E283-N286 PolarHBondContact O-N 2.9Å; E283-N286 VanDerWaalsContact O-N 3.1Å; E283-L291 PolarHBondContact OE2-N 2.94Å; E283-Q447 PolarHBondContact OE2-NE2 2.62Å
284M96.3Very high97.7Very high11 Ų1128.7 Ų28.75%0.05417%0.168CC..Hα-helixtrans-65.2-27.8-178.1-72166.17500112.7A197 V199 R233 M280 L281A197-M284 HydrophobicContact CB-CB 3.79Å; A197-M284 HydrophobicContact CB-CE 4.02Å; V199-M284 HydrophobicContact CG2-CE 4.42Å; V199-M284 HydrophobicContact CG2-SD 3.58Å; V199-M284 VanDerWaalsContact CG2-SD 3.58Å; R233-M284 VanDerWaalsContact C-CE 3.5Å; R233-M284 HydrophobicContact CB-CE 4.27Å; R233-M284 HydrophobicContact CG-CE 3.86Å; R233-M284 PolarHBondContact NH1-O 3Å; R233-M284 WeakPolarHBondContact O-CE 3.39Å; M280-M284 HydrophobicContact CB-SD 4.44Å; M280-M284 WeakPolarHBondContact O-CB 3.27Å; M280-M284 WeakPolarHBondContact O-CG 3.15Å; M280-M284 PolarHBondContact O-N 3.48Å; L281-M284 PolarHBondContact O-N 3.29Å
285T95.9Very high97.7Very high15 Ų1532.5 Ų32.59%0.09218%0.182CC..THydrogen-bonded Turntrans-95.80.2176.352.90000114R78 V81 A197 L281 L282 E283 L287R78-T285 WeakPolarHBondContact O-CG2 3.47Å; V81-T285 HydrophobicContact CG1-CG2 3.31Å; A197-T285 HydrophobicContact CB-CG2 4.06Å; L281-T285 WeakPolarHBondContact O-CG2 3.47Å; L281-T285 PolarHBondContact O-N 2.8Å; L281-T285 PolarHBondContact O-OG1 3.13Å; L282-T285 PolarHBondContact O-OG1 3.45Å; E283-T285 PolarHBondContact O-N 2.93Å; T285-L287 PolarHBondContact O-N 2.76Å
286N95.9Very high97.7Very high100 Ų10036.3 Ų36.354%0.53520%0.198SC..THydrogen-bonded Turntrans59.525.1-175.1-46.4-68.4000114.3L282 E283 A288 R450L282-N286 PolarHBondContact O-N 2.99Å; L282-N286 VanDerWaalsContact O-N 3.12Å; E283-N286 PolarHBondContact O-N 2.9Å; E283-N286 VanDerWaalsContact O-N 3.1Å; N286-A288 VanDerWaalsContact C-N 3.31Å; N286-R450 PolarHBondContact OD1-NH2 3.46Å; N286-R450 VanDerWaalsContact OD1-NH2 3.1Å
287L97.3Very high97.7Very high58 Ų5838.9 Ų38.930%0.30421%0.21SC..SBendtrans-80.4-18.9166.7-66174.4000111.5L79 C106 L282 T285 Q297L79-L287 HydrophobicContact CD2-CD1 4.16Å; L79-L287 HydrophobicContact CD2-CD2 4.18Å; C106-L287 VanDerWaalsContact SG-CD1 3.51Å; L282-L287 HydrophobicContact CB-CB 4.35Å; L282-L287 HydrophobicContact CD2-CB 4.04Å; L282-L287 HydrophobicContact CD2-CD1 3.98Å; L282-L287 PolarHBondContact O-N 2.91Å; T285-L287 PolarHBondContact O-N 2.76Å; L287-Q297 PolarHBondContact O-NE2 2.68Å
288A97.6Very high97.7Very high3 Ų338.9 Ų38.93%0.02521%0.21CC..SBendtrans-127146.4167.300000110.8L282 N286 G290L282-A288 HydrophobicContact CB-CB 3.77Å; L282-A288 PolarHBondContact O-N 3.25Å; N286-A288 VanDerWaalsContact C-N 3.31Å; A288-G290 PolarHBondContact O-N 3.29Å
289P95.9Very high97.7Very high117 Ų11743.6 Ų43.676%0.7623%0.228SC*.SBendtrans-69.8-17.417828.4-36000113.6E293P289-E293 HydrophobicContact CG-CB 3.84Å; P289-E293 HydrophobicContact CG-CG 3.95Å
290G96.4Very high97.7Very high17 Ų1747.4 Ų47.418%0.17525%0.249CC..SBendtrans-176.6170.6177.900000112.1A288 S292 E293 G294A288-G290 PolarHBondContact O-N 3.29Å; G290-S292 VanDerWaalsContact C-N 3.3Å; G290-S292 PolarHBondContact O-N 3.47Å; G290-E293 PolarHBondContact O-N 3.46Å; G290-G294 PolarHBondContact O-N 3.45Å
291L96.4Very high97.7Very high42 Ų4247.9 Ų47.922%0.2225%0.253CS..Hα-helixtrans-51.3-43.1-175.9179.557.5000113.9M280 E283 E293 G294 R295M280-L291 HydrophobicContact CB-CD1 4.43Å; M280-L291 HydrophobicContact CG-CD1 3.7Å; E283-L291 PolarHBondContact OE2-N 2.94Å; L291-E293 PolarHBondContact O-N 2.73Å; L291-G294 PolarHBondContact O-N 2.92Å; L291-R295 HydrophobicContact CD1-CG 4.05Å; L291-R295 HydrophobicContact CG-CG 4.38Å; L291-R295 WeakPolarHBondContact O-CB 3.24Å; L291-R295 VanDerWaalsContact O-CG 3.3Å; L291-R295 WeakPolarHBondContact O-CG 3.32Å; L291-R295 PolarHBondContact O-N 3.06Å
292S97.7Very high97.7Very high99 Ų9947.9 Ų47.969%0.69225%0.253SS*.Hα-helixtrans-62.3-45.1-178.1-172.30000112.5G290 R295 K296G290-S292 VanDerWaalsContact C-N 3.3Å; G290-S292 PolarHBondContact O-N 3.47Å; S292-R295 PolarHBondContact O-N 3.32Å; S292-K296 PolarHBondContact O-N 2.76Å
293E98.4Very high97.7Very high77 Ų7751.3 Ų51.336%0.3627%0.27SS..Hα-helixtrans-71.3-36.7178.4-169.760.2-152.500110.6P289 G290 L291 K296 Q297P289-E293 HydrophobicContact CG-CB 3.84Å; P289-E293 HydrophobicContact CG-CG 3.95Å; G290-E293 PolarHBondContact O-N 3.46Å; L291-E293 PolarHBondContact O-N 2.73Å; E293-K296 PolarHBondContact O-N 2.76Å; E293-Q297 WeakPolarHBondContact O-CG 3.48Å; E293-Q297 PolarHBondContact O-N 3.18Å
294G98.6Very high97.6Very high0 Ų053 Ų530%030%0.296CS..Hα-helixtrans-61.1-44173.700000112.5G290 L291 K296 Q297 I298G290-G294 PolarHBondContact O-N 3.45Å; L291-G294 PolarHBondContact O-N 2.92Å; G294-K296 VanDerWaalsContact C-N 3.3Å; G294-K296 PolarHBondContact O-N 3.3Å; G294-Q297 PolarHBondContact O-N 3.1Å; G294-I298 WeakPolarHBondContact O-CG1 3.49Å; G294-I298 PolarHBondContact O-N 2.82Å
295R98.6Very high97.7Very high80 Ų8053.5 Ų53.530%0.30230%0.304SS..Hα-helixtrans-57.4-45174.9-76.9176.469.9143.62.5111.1M275 T276 L291 S292 I298 Y299M275-R295 HydrophobicContact CB-CB 4.19Å; M275-R295 HydrophobicContact CB-CG 4.16Å; M275-R295 VanDerWaalsContact O-CG 3.31Å; M275-R295 WeakPolarHBondContact O-CG 3.35Å; T276-R295 PolarHBondContact OG1-NH1 2.74Å; L291-R295 HydrophobicContact CD1-CG 4.05Å; L291-R295 HydrophobicContact CG-CG 4.38Å; L291-R295 WeakPolarHBondContact O-CB 3.24Å; L291-R295 VanDerWaalsContact O-CG 3.3Å; L291-R295 WeakPolarHBondContact O-CG 3.32Å; L291-R295 PolarHBondContact O-N 3.06Å; S292-R295 PolarHBondContact O-N 3.32Å; R295-I298 PolarHBondContact O-N 2.63Å; R295-Y299 WeakPolarHBondContact O-CB 3.47Å; R295-Y299 PolarHBondContact O-N 2.65Å
296K98.8Very high97.8Very high110 Ų11054.9 Ų54.948%0.47832%0.317SS..Hα-helixtrans-63.3-46.3177.8-174.1-173.6172.1-165.90111.9S292 E293 G294 I298 Y299 D300S292-K296 PolarHBondContact O-N 2.76Å; E293-K296 PolarHBondContact O-N 2.76Å; G294-K296 VanDerWaalsContact C-N 3.3Å; G294-K296 PolarHBondContact O-N 3.3Å; K296-I298 VanDerWaalsContact C-N 3.31Å; K296-I298 PolarHBondContact O-N 3.34Å; K296-Y299 WeakPolarHBondContact O-CB 3.49Å; K296-Y299 PolarHBondContact O-N 2.92Å; K296-D300 WeakPolarHBondContact O-CB 3.45Å; K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.24Å
297Q98.8Very high98Very high55 Ų5550.1 Ų50.126%0.25729%0.292SS..Hα-helixtrans-59.4-41.1177.3-72.6-176.436.400112.4L282 L287 E293 G294 A301L282-Q297 HydrophobicContact CD1-CB 3.82Å; L287-Q297 PolarHBondContact O-NE2 2.68Å; E293-Q297 WeakPolarHBondContact O-CG 3.48Å; E293-Q297 PolarHBondContact O-N 3.18Å; G294-Q297 PolarHBondContact O-N 3.1Å; Q297-A301 WeakPolarHBondContact O-CB 3.39Å; Q297-A301 PolarHBondContact O-N 2.84Å
298I98.8Very high98Very high0 Ų048.4 Ų48.40%028%0.283CS..Hα-helixtrans-65.6-44.7176-66.5-70.4000111A100 L101 V274 L282 G294 R295 K296 A301 V302A100-I298 HydrophobicContact CB-CD1 4.31Å; A100-I298 HydrophobicContact CB-CG2 4.27Å; L101-I298 HydrophobicContact CD2-CD1 4.07Å; L101-I298 HydrophobicContact CG-CD1 4.41Å; V274-I298 HydrophobicContact CG1-CG2 3.82Å; L282-I298 HydrophobicContact CD1-CD1 3.94Å; L282-I298 HydrophobicContact CD1-CG1 3.84Å; L282-I298 HydrophobicContact CG-CD1 4.36Å; G294-I298 WeakPolarHBondContact O-CG1 3.49Å; G294-I298 PolarHBondContact O-N 2.82Å; R295-I298 PolarHBondContact O-N 2.63Å; K296-I298 VanDerWaalsContact C-N 3.31Å; K296-I298 PolarHBondContact O-N 3.34Å; I298-A301 PolarHBondContact O-N 2.88Å; I298-V302 WeakPolarHBondContact O-CG2 3.47Å; I298-V302 PolarHBondContact O-N 3.49Å
299Y98.7Very high98.1Very high99 Ų9951.9 Ų51.939%0.38831%0.307SS..Hα-helixtrans-57.4-50.4175.2178.8-94.7000111.5M271 M275 R295 K296 A301 V302 I303M271-Y299 HydrophobicContact CG-CD2 4.47Å; M275-Y299 HydrophobicContact SD-CD2 3.72Å; M275-Y299 HydrophobicContact SD-CG 4.14Å; R295-Y299 WeakPolarHBondContact O-CB 3.47Å; R295-Y299 PolarHBondContact O-N 2.65Å; K296-Y299 WeakPolarHBondContact O-CB 3.49Å; K296-Y299 PolarHBondContact O-N 2.92Å; Y299-A301 VanDerWaalsContact C-N 3.3Å; Y299-A301 PolarHBondContact O-N 3.33Å; Y299-V302 PolarHBondContact O-N 3.27Å; Y299-V302 VanDerWaalsContact O-N 3.1Å; Y299-I303 HydrophobicContact CD1-CG1 4.11Å; Y299-I303 HydrophobicContact CD2-CG1 4.04Å; Y299-I303 HydrophobicContact CE1-CB 4.41Å; Y299-I303 HydrophobicContact CE1-CG1 3.72Å; Y299-I303 HydrophobicContact CE2-CD1 4.12Å; Y299-I303 HydrophobicContact CE2-CG1 3.65Å; Y299-I303 HydrophobicContact CG-CG1 4.26Å; Y299-I303 VanDerWaalsContact CZ-CG1 3.49Å; Y299-I303 WeakPolarHBondContact O-CG1 3.49Å; Y299-I303 PolarHBondContact O-N 3.1Å
300D98.7Very high98.2Very high80 Ų8049.1 Ų49.143%0.42828%0.283SS..Hα-helixtrans-62-37.5179.6-68.6-18.2000111.4K296 V302 G304K296-D300 WeakPolarHBondContact O-CB 3.45Å; K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.24Å; D300-V302 VanDerWaalsContact C-N 3.33Å; D300-V302 PolarHBondContact O-N 2.86Å; D300-G304 WeakPolarHBondContact O-CA 3.48Å; D300-G304 PolarHBondContact O-N 3.18Å
301A98.8Very high98.4Very high10 Ų1048.3 Ų48.38%0.08328%0.275CS..Hα-helixtrans-64.9-36.1175.300000112.8A103 Q297 I298 Y299 A306 A307A103-A301 HydrophobicContact CB-CB 4.05Å; Q297-A301 WeakPolarHBondContact O-CB 3.39Å; Q297-A301 PolarHBondContact O-N 2.84Å; I298-A301 PolarHBondContact O-N 2.88Å; Y299-A301 VanDerWaalsContact C-N 3.3Å; Y299-A301 PolarHBondContact O-N 3.33Å; A301-A306 PolarHBondContact O-N 2.94Å; A301-A306 VanDerWaalsContact O-N 3.15Å; A301-A307 WeakPolarHBondContact O-CB 3.33Å; A301-A307 PolarHBondContact O-N 3.22Å
302V98.4Very high98.5Very high0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-74.9-57.7177.4174.10000110.8V96 A100 T261 M271 I298 Y299 D300 G304 G305 A307V96-V302 HydrophobicContact CG1-CG2 4.18Å; A100-V302 HydrophobicContact CB-CG2 3.96Å; T261-V302 WeakPolarHBondContact O-CG1 3.48Å; M271-V302 HydrophobicContact CE-CG1 3.69Å; M271-V302 HydrophobicContact SD-CG1 4.28Å; I298-V302 WeakPolarHBondContact O-CG2 3.47Å; I298-V302 PolarHBondContact O-N 3.49Å; Y299-V302 PolarHBondContact O-N 3.27Å; Y299-V302 VanDerWaalsContact O-N 3.1Å; D300-V302 VanDerWaalsContact C-N 3.33Å; D300-V302 PolarHBondContact O-N 2.86Å; V302-G304 VanDerWaalsContact C-N 3.29Å; V302-G304 PolarHBondContact O-N 3.26Å; V302-G305 PolarHBondContact O-N 3.04Å; V302-G305 VanDerWaalsContact O-N 3.07Å; V302-A307 HydrophobicContact CG2-CB 4.09Å
303I97.4Very high98.5Very high72 Ų7246.2 Ų46.237%0.36926%0.259SS..Hα-helixtrans-65.7-32.4-176.9-57.9-53.2000112.1G264 M271 Y299 G305G264-I303 VanDerWaalsContact CA-CD1 3.45Å; M271-I303 HydrophobicContact CE-CD1 4.34Å; Y299-I303 HydrophobicContact CD1-CG1 4.11Å; Y299-I303 HydrophobicContact CD2-CG1 4.04Å; Y299-I303 HydrophobicContact CE1-CB 4.41Å; Y299-I303 HydrophobicContact CE1-CG1 3.72Å; Y299-I303 HydrophobicContact CE2-CD1 4.12Å; Y299-I303 HydrophobicContact CE2-CG1 3.65Å; Y299-I303 HydrophobicContact CG-CG1 4.26Å; Y299-I303 VanDerWaalsContact CZ-CG1 3.49Å; Y299-I303 WeakPolarHBondContact O-CG1 3.49Å; Y299-I303 PolarHBondContact O-N 3.1Å; I303-G305 PolarHBondContact O-N 3.5Å
304G96.6Very high98.5Very high67 Ų6742.5 Ų42.569%0.69124%0.242SC*.THydrogen-bonded Turntrans-75.9-2175.900000114.8D300 V302 A306D300-G304 WeakPolarHBondContact O-CA 3.48Å; D300-G304 PolarHBondContact O-N 3.18Å; V302-G304 VanDerWaalsContact C-N 3.29Å; V302-G304 PolarHBondContact O-N 3.26Å; G304-A306 PolarHBondContact O-N 3.12Å
305G98Very high98.5Very high22 Ų2242.5 Ų42.523%0.22724%0.242CC..THydrogen-bonded Turntrans75.32.8177.800000115.4V302 I303 L308 S309V302-G305 PolarHBondContact O-N 3.04Å; V302-G305 VanDerWaalsContact O-N 3.07Å; I303-G305 PolarHBondContact O-N 3.5Å; G305-L308 PolarHBondContact O-N 2.83Å; G305-S309 PolarHBondContact O-N 3.35Å; G305-S309 PolarHBondContact O-OG 3.1Å
306A98.8Very high98.6Very high45 Ų4540.9 Ų40.937%0.37224%0.241SC..Hα-helixtrans-65.5-41175.900000111.2A103 A301 G304 S309 K310A103-A306 HydrophobicContact CB-CB 3.93Å; A301-A306 PolarHBondContact O-N 2.94Å; A301-A306 VanDerWaalsContact O-N 3.15Å; G304-A306 PolarHBondContact O-N 3.12Å; A306-S309 WeakPolarHBondContact O-CB 3.32Å; A306-S309 PolarHBondContact O-N 3.19Å; A306-K310 WeakPolarHBondContact O-CG 3.42Å; A306-K310 PolarHBondContact O-N 3.07Å
307A98.8Very high98.5Very high0 Ų037.4 Ų37.40%023%0.233CC..Hα-helixtrans-64.3-42.9173.800000111.5P99 A100 L262 A301 V302 S309 K310 F311P99-A307 WeakPolarHBondContact CB-O 3.47Å; A100-A307 HydrophobicContact CB-CB 4.01Å; L262-A307 HydrophobicContact CD2-CB 3.52Å; A301-A307 WeakPolarHBondContact O-CB 3.33Å; A301-A307 PolarHBondContact O-N 3.22Å; V302-A307 HydrophobicContact CG2-CB 4.09Å; A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 2.88Å; A307-K310 WeakPolarHBondContact O-CB 3.27Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.1Å; A307-F311 PolarHBondContact O-N 3.29Å
308L98.8Very high98.5Very high22 Ų2234.8 Ų34.812%0.11522%0.221CC..Hα-helixtrans-58.7-42.1176-175.263.1000111.8L259 L262 K263 G305 K310 F311 E312 C329L259-L308 HydrophobicContact CD2-CD1 4.18Å; L262-L308 HydrophobicContact CB-CB 4.15Å; L262-L308 HydrophobicContact CB-CD1 3.77Å; L262-L308 HydrophobicContact CD1-CD1 4.48Å; K263-L308 HydrophobicContact CG-CD1 4.48Å; K263-L308 HydrophobicContact CG-CD2 3.79Å; G305-L308 PolarHBondContact O-N 2.83Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.37Å; L308-F311 PolarHBondContact O-N 2.88Å; L308-E312 PolarHBondContact O-N 3.18Å; L308-C329 HydrophobicContact CD1-CB 3.92Å; L308-C329 HydrophobicContact CD2-CB 4.46Å; L308-C329 WeakPolarHBondContact CD2-O 3.35Å; L308-C329 HydrophobicContact CG-CB 4.07Å
309S98.8Very high98.5Very high75 Ų7537.2 Ų37.252%0.52425%0.245SC..Hα-helixtrans-62.5-38.9175.8-59.10000112.2G305 A306 A307 A313G305-S309 PolarHBondContact O-N 3.35Å; G305-S309 PolarHBondContact O-OG 3.1Å; A306-S309 WeakPolarHBondContact O-CB 3.32Å; A306-S309 PolarHBondContact O-N 3.19Å; A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 2.88Å; S309-A313 WeakPolarHBondContact O-CB 3.46Å; S309-A313 PolarHBondContact O-N 3.45Å; S309-A313 VanDerWaalsContact O-N 3.08Å
310K98.9Very high98.5Very high60 Ų6032.7 Ų32.726%0.26123%0.228SC..Hα-helixtrans-67.6-37.8173.8-70-63.9-172.1177.60112.2P99 A102 A103 V148 A306 A307 L308 A313 M314P99-K310 HydrophobicContact CB-CB 3.66Å; A102-K310 HydrophobicContact CB-CD 4.3Å; A102-K310 HydrophobicContact CB-CG 4.3Å; A103-K310 HydrophobicContact CB-CG 4.02Å; V148-K310 HydrophobicContact CG1-CD 4.44Å; V148-K310 VanDerWaalsContact O-CD 3.27Å; V148-K310 WeakPolarHBondContact O-CD 3.45Å; V148-K310 WeakPolarHBondContact O-CE 3.21Å; V148-K310 PolarHBondContact O-NZ 2.92Å; A306-K310 WeakPolarHBondContact O-CG 3.42Å; A306-K310 PolarHBondContact O-N 3.07Å; A307-K310 WeakPolarHBondContact O-CB 3.27Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.1Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.37Å; K310-A313 PolarHBondContact O-N 3.01Å; K310-M314 WeakPolarHBondContact O-CB 3.3Å; K310-M314 PolarHBondContact O-N 3.44Å
311F98.8Very high98.5Very high0 Ų031.5 Ų31.50%023%0.23CC..Hα-helixtrans-66-43.2175.9-166.9-101.2000111.7L95 P99 L126 I129 L259 L262 A307 L308 A313 M314 M315L95-F311 HydrophobicContact CB-CE2 4.32Å; L95-F311 HydrophobicContact CG-CE2 4.49Å; L95-F311 WeakPolarHBondContact O-CD2 3.42Å; L95-F311 WeakPolarHBondContact O-CE2 3.08Å; P99-F311 HydrophobicContact CB-CB 4.02Å; P99-F311 HydrophobicContact CG-CB 4.04Å; P99-F311 HydrophobicContact CG-CD2 3.96Å; P99-F311 HydrophobicContact CG-CG 4.47Å; L126-F311 HydrophobicContact CD2-CE2 4.42Å; L126-F311 HydrophobicContact CD2-CZ 4.26Å; I129-F311 HydrophobicContact CD1-CZ 4.33Å; L259-F311 HydrophobicContact CD2-CD1 3.67Å; L259-F311 HydrophobicContact CD2-CE1 3.66Å; L259-F311 HydrophobicContact CG-CE1 4.27Å; L262-F311 HydrophobicContact CD1-CB 3.73Å; L262-F311 HydrophobicContact CD1-CD1 4.08Å; L262-F311 HydrophobicContact CD1-CD2 4.04Å; L262-F311 HydrophobicContact CD1-CG 3.68Å; A307-F311 PolarHBondContact O-N 3.29Å; L308-F311 PolarHBondContact O-N 2.88Å; F311-A313 PolarHBondContact O-N 3.39Å; F311-M314 HydrophobicContact CD2-CE 3.58Å; F311-M314 HydrophobicContact CE2-CE 3.58Å; F311-M314 PolarHBondContact O-N 3.35Å; F311-M315 HydrophobicContact CD1-CE 3.74Å; F311-M315 HydrophobicContact CD1-CG 4.26Å; F311-M315 HydrophobicContact CD1-SD 4.08Å; F311-M315 HydrophobicContact CE1-CE 3.9Å; F311-M315 HydrophobicContact CE1-CG 4Å; F311-M315 HydrophobicContact CE1-SD 3.64Å; F311-M315 HydrophobicContact CZ-CG 4.46Å; F311-M315 HydrophobicContact CZ-SD 4.46Å; F311-M315 WeakPolarHBondContact O-CG 3.44Å; F311-M315 PolarHBondContact O-N 2.94Å
312E98.8Very high98.4Very high56 Ų5635.4 Ų35.426%0.26225%0.249SC..Hα-helixtrans-56.2-51.3172.5-171.6-176.314000111.2L308 M314 M315 T316 A325 R326 C329L308-E312 PolarHBondContact O-N 3.18Å; E312-M314 VanDerWaalsContact C-N 3.31Å; E312-M314 PolarHBondContact O-N 3.23Å; E312-M315 PolarHBondContact O-N 2.97Å; E312-T316 PolarHBondContact O-N 3.05Å; E312-A325 HydrophobicContact CG-CB 3.98Å; E312-R326 WeakPolarHBondContact OE1-CG 3.18Å; E312-R326 IonicContact OE1-NE 3.04Å; E312-C329 HydrophobicContact CB-CB 4.37Å
313A98.8Very high98.4Very high40 Ų4042.4 Ų42.433%0.33128%0.282SS..Hα-helixtrans-62.8-37.9179.900000112.3V148 S309 K310 F311 A317V148-A313 HydrophobicContact CG1-CB 4.02Å; V148-A313 HydrophobicContact CG2-CB 4.04Å; S309-A313 WeakPolarHBondContact O-CB 3.46Å; S309-A313 PolarHBondContact O-N 3.45Å; S309-A313 VanDerWaalsContact O-N 3.08Å; K310-A313 PolarHBondContact O-N 3.01Å; F311-A313 PolarHBondContact O-N 3.39Å; A313-A317 WeakPolarHBondContact O-CB 3.43Å; A313-A317 PolarHBondContact O-N 3.49Å
314M98.8Very high98.4Very high0 Ų040.4 Ų40.40%027%0.273CS..Hα-helixtrans-63.6-46.9175.1-175-179.372.600111.4V148 C150 I152 K310 F311 E312 T316 A317 Q318V148-M314 HydrophobicContact CG1-CB 4.06Å; C150-M314 HydrophobicContact CB-SD 4.47Å; I152-M314 HydrophobicContact CD1-CE 4.23Å; I152-M314 HydrophobicContact CG1-CE 4.46Å; I152-M314 HydrophobicContact CG1-SD 4.21Å; K310-M314 WeakPolarHBondContact O-CB 3.3Å; K310-M314 PolarHBondContact O-N 3.44Å; F311-M314 HydrophobicContact CD2-CE 3.58Å; F311-M314 HydrophobicContact CE2-CE 3.58Å; F311-M314 PolarHBondContact O-N 3.35Å; E312-M314 VanDerWaalsContact C-N 3.31Å; E312-M314 PolarHBondContact O-N 3.23Å; M314-T316 PolarHBondContact O-N 3.33Å; M314-A317 PolarHBondContact O-N 3.12Å; M314-Q318 WeakPolarHBondContact O-CB 3.47Å; M314-Q318 WeakPolarHBondContact O-CG 3.39Å; M314-Q318 PolarHBondContact O-N 2.71Å
315M98.8Very high98.5Very high0 Ų037.2 Ų37.20%024%0.24CC..Hα-helixtrans-55.9-51.4176.3-75.4-169-68.400111.1I129 F132 F311 E312 A317 Q318 G319 V320 A325 L328 C329I129-M315 HydrophobicContact CD1-CG 4.46Å; I129-M315 HydrophobicContact CD1-SD 3.92Å; I129-M315 HydrophobicContact CG2-SD 4.16Å; F132-M315 HydrophobicContact CD2-CG 4.22Å; F132-M315 HydrophobicContact CE2-CG 4.17Å; F311-M315 HydrophobicContact CD1-CE 3.74Å; F311-M315 HydrophobicContact CD1-CG 4.26Å; F311-M315 HydrophobicContact CD1-SD 4.08Å; F311-M315 HydrophobicContact CE1-CE 3.9Å; F311-M315 HydrophobicContact CE1-CG 4Å; F311-M315 HydrophobicContact CE1-SD 3.64Å; F311-M315 HydrophobicContact CZ-CG 4.46Å; F311-M315 HydrophobicContact CZ-SD 4.46Å; F311-M315 WeakPolarHBondContact O-CG 3.44Å; F311-M315 PolarHBondContact O-N 2.94Å; E312-M315 PolarHBondContact O-N 2.97Å; M315-A317 PolarHBondContact O-N 3.08Å; M315-Q318 CarbonylContact O-C 3.54Å; M315-Q318 PolarHBondContact O-N 3.02Å; M315-G319 PolarHBondContact O-N 3.46Å; M315-V320 HydrophobicContact CB-CB 3.94Å; M315-V320 HydrophobicContact CB-CG1 4.4Å; M315-V320 HydrophobicContact CB-CG2 3.87Å; M315-V320 HydrophobicContact CG-CG2 4.4Å; M315-V320 VanDerWaalsContact O-CB 3.29Å; M315-V320 WeakPolarHBondContact O-CB 3.29Å; M315-V320 WeakPolarHBondContact O-CG2 3.32Å; M315-V320 PolarHBondContact O-N 2.9Å; M315-A325 HydrophobicContact CB-CB 4.13Å; M315-A325 HydrophobicContact CE-CB 3.98Å; M315-L328 HydrophobicContact CE-CB 4.38Å; M315-L328 HydrophobicContact SD-CD1 4.04Å; M315-C329 VanDerWaalsContact CE-SG 3.53Å
316T98.8Very high98.5Very high46 Ų4644 Ų4428%0.28226%0.259SS..Hα-helixtrans-58-48.5176.7-74.40000111.9E312 M314 Q318 G319 V320 N322E312-T316 PolarHBondContact O-N 3.05Å; M314-T316 PolarHBondContact O-N 3.33Å; T316-Q318 PolarHBondContact O-N 3.11Å; T316-G319 PolarHBondContact O-N 2.88Å; T316-V320 WeakPolarHBondContact CA-O 3.22Å; T316-N322 WeakPolarHBondContact CB-OD1 3.22Å; T316-N322 WeakPolarHBondContact CG2-OD1 3.27Å; T316-N322 PolarHBondContact OG1-OD1 3.5Å
317A98.5Very high98.4Very high36 Ų3645.2 Ų45.230%0.29826%0.257SS..Hα-helixtrans-66.6-22.6-177.300000112.4I144 V148 A313 M314 M315I144-A317 HydrophobicContact CG1-CB 4.02Å; I144-A317 HydrophobicContact CG2-CB 4.06Å; V148-A317 HydrophobicContact CG2-CB 3.91Å; A313-A317 WeakPolarHBondContact O-CB 3.43Å; A313-A317 PolarHBondContact O-N 3.49Å; M314-A317 PolarHBondContact O-N 3.12Å; M315-A317 PolarHBondContact O-N 3.08Å
318Q98.4Very high98.4Very high1 Ų145.2 Ų45.21%0.00526%0.257CS..THydrogen-bonded Turntrans-98.723.2173.1-65.2-167.8-110.500113F132 N133 I144 I152 M314 M315 T316F132-Q318 HydrophobicContact CE1-CB 4.25Å; F132-Q318 HydrophobicContact CE2-CB 4.27Å; F132-Q318 HydrophobicContact CZ-CB 4.06Å; F132-Q318 HydrophobicContact CZ-CG 4.36Å; N133-Q318 WeakPolarHBondContact CA-O 3.44Å; N133-Q318 VanDerWaalsContact CB-O 3.23Å; N133-Q318 WeakPolarHBondContact CB-O 3.36Å; N133-Q318 PolarHBondContact N-O 3.25Å; N133-Q318 PolarHBondContact O-NE2 3.34Å; I144-Q318 HydrophobicContact CD1-CG 3.97Å; I152-Q318 VanDerWaalsContact N-OE1 3.1Å; I152-Q318 PolarHBondContact O-NE2 3.19Å; M314-Q318 WeakPolarHBondContact O-CB 3.47Å; M314-Q318 WeakPolarHBondContact O-CG 3.39Å; M314-Q318 PolarHBondContact O-N 2.71Å; M315-Q318 CarbonylContact O-C 3.54Å; M315-Q318 PolarHBondContact O-N 3.02Å; T316-Q318 PolarHBondContact O-N 3.11Å
319G98.3Very high98.3Very high50 Ų5044.6 Ų44.652%0.51526%0.255SS..THydrogen-bonded Turntrans96.4-3.4164.900000116.4G131 M315 T316G131-G319 CarbonylContact O-C 3.57Å; M315-G319 PolarHBondContact O-N 3.46Å; T316-G319 PolarHBondContact O-N 2.88Å
320V98.7Very high98.2Very high4 Ų443.3 Ų43.32%0.02425%0.246CC..  trans-67135.6171.7-178.20000109I129 G131 F132 M315 T316 N322 T324 A325I129-V320 HydrophobicContact CG2-CG1 4.07Å; I129-V320 HydrophobicContact CG2-CG2 3.71Å; G131-V320 PolarHBondContact O-N 2.92Å; F132-V320 HydrophobicContact CB-CG2 3.82Å; F132-V320 HydrophobicContact CD2-CG2 3.82Å; F132-V320 HydrophobicContact CG-CG2 4.25Å; M315-V320 HydrophobicContact CB-CB 3.94Å; M315-V320 HydrophobicContact CB-CG1 4.4Å; M315-V320 HydrophobicContact CB-CG2 3.87Å; M315-V320 HydrophobicContact CG-CG2 4.4Å; M315-V320 VanDerWaalsContact O-CB 3.29Å; M315-V320 WeakPolarHBondContact O-CB 3.29Å; M315-V320 WeakPolarHBondContact O-CG2 3.32Å; M315-V320 PolarHBondContact O-N 2.9Å; T316-V320 WeakPolarHBondContact CA-O 3.22Å; V320-N322 PolarHBondContact O-N 3.35Å; V320-T324 HydrophobicContact CG1-CG2 3.88Å; V320-A325 HydrophobicContact CG1-CB 4.16Å
321A98.4Very high97.8Very high56 Ų5644.2 Ų44.246%0.46327%0.265SS..  trans-60.7136.8176.600000110.8Q323 T324 A325A321-Q323 PolarHBondContact O-N 2.95Å; A321-Q323 VanDerWaalsContact O-N 3.11Å; A321-T324 WeakPolarHBondContact O-CA 3.5Å; A321-T324 VanDerWaalsContact O-CB 3.31Å; A321-T324 WeakPolarHBondContact O-CB 3.33Å; A321-T324 PolarHBondContact O-N 3.47Å; A321-A325 PolarHBondContact O-N 2.97Å
322N97.9Very high97.2Very high92 Ų9252.8 Ų52.849%0.49230%0.304SS..Hα-helixtrans-51.4-40.4-177.3-79.1-26.9000113.7T316 V320 R326T316-N322 WeakPolarHBondContact CB-OD1 3.22Å; T316-N322 WeakPolarHBondContact CG2-OD1 3.27Å; T316-N322 PolarHBondContact OG1-OD1 3.5Å; V320-N322 PolarHBondContact O-N 3.35Å; N322-R326 WeakPolarHBondContact O-CB 3.36Å; N322-R326 WeakPolarHBondContact O-CG 3.5Å; N322-R326 PolarHBondContact O-N 3.32Å
323Q97.3Very high96.8Very high147 Ų14751.5 Ų51.569%0.68730%0.3SS*.Hα-helixtrans-64.9-43.7177.9-175.9174.9000111.4A321 R326 M327A321-Q323 PolarHBondContact O-N 2.95Å; A321-Q323 VanDerWaalsContact O-N 3.11Å; Q323-R326 PolarHBondContact O-N 3.47Å; Q323-M327 HydrophobicContact CG-CG 4.48Å; Q323-M327 HydrophobicContact CG-SD 4.03Å; Q323-M327 WeakPolarHBondContact O-CB 3.49Å; Q323-M327 VanDerWaalsContact O-CG 3.23Å; Q323-M327 WeakPolarHBondContact O-CG 3.34Å; Q323-M327 PolarHBondContact O-N 3.06Å
324T97.9Very high96.6Very high30 Ų3054.5 Ų54.518%0.18431%0.311CS..Hα-helixtrans-61.2-47.3176.7-54.20000111.5V320 A321 M327 L328 V338V320-T324 HydrophobicContact CG1-CG2 3.88Å; A321-T324 WeakPolarHBondContact O-CA 3.5Å; A321-T324 VanDerWaalsContact O-CB 3.31Å; A321-T324 WeakPolarHBondContact O-CB 3.33Å; A321-T324 PolarHBondContact O-N 3.47Å; T324-M327 PolarHBondContact O-N 3.43Å; T324-L328 HydrophobicContact CG2-CD1 4.41Å; T324-L328 WeakPolarHBondContact O-CG 3.44Å; T324-L328 PolarHBondContact O-N 3.24Å; T324-V338 HydrophobicContact CG2-CG1 3.4Å; T324-V338 VanDerWaalsContact CG2-CG1 3.4Å; T324-V338 HydrophobicContact CG2-CG2 4.46Å
325A98.2Very high96.5Very high0 Ų055.4 Ų55.40%031%0.314CS..Hα-helixtrans-60.2-47.7177.700000111.7E312 M315 V320 A321 M327 L328 C329E312-A325 HydrophobicContact CG-CB 3.98Å; M315-A325 HydrophobicContact CB-CB 4.13Å; M315-A325 HydrophobicContact CE-CB 3.98Å; V320-A325 HydrophobicContact CG1-CB 4.16Å; A321-A325 PolarHBondContact O-N 2.97Å; A325-M327 PolarHBondContact O-N 3.49Å; A325-L328 PolarHBondContact O-N 2.86Å; A325-C329 PolarHBondContact O-N 3.38Å; A325-C329 VanDerWaalsContact O-N 3.09Å
326R97.6Very high96.4Very high164 Ų16458.9 Ų58.962%0.61933%0.328SS*.Hα-helixtrans-60.6-42.2175.4-77.2177179179.60.9113.1E312 N322 Q323 C329 S330E312-R326 WeakPolarHBondContact OE1-CG 3.18Å; E312-R326 IonicContact OE1-NE 3.04Å; N322-R326 WeakPolarHBondContact O-CB 3.36Å; N322-R326 WeakPolarHBondContact O-CG 3.5Å; N322-R326 PolarHBondContact O-N 3.32Å; Q323-R326 PolarHBondContact O-N 3.47Å; R326-C329 PolarHBondContact O-N 2.79Å; R326-S330 PolarHBondContact O-N 2.86Å
327M97.3Very high96.2Very high70 Ų7060 Ų6035%0.34534%0.338SS..Hα-helixtrans-61.3-46.2177.1-77.5174.165.300110.7Q323 T324 A325 C329 S330 T333 V338Q323-M327 HydrophobicContact CG-CG 4.48Å; Q323-M327 HydrophobicContact CG-SD 4.03Å; Q323-M327 WeakPolarHBondContact O-CB 3.49Å; Q323-M327 VanDerWaalsContact O-CG 3.23Å; Q323-M327 WeakPolarHBondContact O-CG 3.34Å; Q323-M327 PolarHBondContact O-N 3.06Å; T324-M327 PolarHBondContact O-N 3.43Å; A325-M327 PolarHBondContact O-N 3.49Å; M327-C329 VanDerWaalsContact C-N 3.32Å; M327-C329 PolarHBondContact O-N 3.01Å; M327-S330 PolarHBondContact O-N 3.49Å; M327-T333 WeakPolarHBondContact O-CB 3.11Å; M327-T333 WeakPolarHBondContact O-CG2 3.37Å; M327-T333 PolarHBondContact O-OG1 2.8Å; M327-V338 HydrophobicContact CB-CG2 4.23Å; M327-V338 HydrophobicContact CE-CG2 3.83Å
328L98Very high96.1Very high0 Ų059.5 Ų59.50%033%0.331CS..Hα-helixtrans-63-36.2178.7-73.5173.5000113.2I129 L259 M315 T324 A325 Y335 V338 L339I129-L328 HydrophobicContact CG2-CD1 3.83Å; L259-L328 HydrophobicContact CD1-CB 4.01Å; L259-L328 HydrophobicContact CD1-CD2 4.18Å; M315-L328 HydrophobicContact CE-CB 4.38Å; M315-L328 HydrophobicContact SD-CD1 4.04Å; T324-L328 HydrophobicContact CG2-CD1 4.41Å; T324-L328 WeakPolarHBondContact O-CG 3.44Å; T324-L328 PolarHBondContact O-N 3.24Å; A325-L328 PolarHBondContact O-N 2.86Å; L328-Y335 HydrophobicContact CD2-CD1 3.88Å; L328-Y335 HydrophobicContact CD2-CE1 4.4Å; L328-V338 HydrophobicContact CD1-CG1 3.97Å; L328-V338 HydrophobicContact CD2-CB 3.93Å; L328-V338 HydrophobicContact CD2-CG1 3.83Å; L328-V338 HydrophobicContact CD2-CG2 4.44Å; L328-V338 HydrophobicContact CG-CB 4.35Å; L328-V338 HydrophobicContact CG-CG1 3.9Å; L328-L339 HydrophobicContact CD2-CD1 4.23Å; L328-L339 HydrophobicContact CD2-CD2 4.23Å; L328-L339 HydrophobicContact CD2-CG 3.97Å
329C97.6Very high96Very high10 Ų1059.6 Ų59.67%0.06833%0.332CS..Hα-helixtrans-87.9-3.4-178.6-66.90000114.5L308 E312 M315 A325 R326 M327L308-C329 HydrophobicContact CD1-CB 3.92Å; L308-C329 HydrophobicContact CD2-CB 4.46Å; L308-C329 WeakPolarHBondContact CD2-O 3.35Å; L308-C329 HydrophobicContact CG-CB 4.07Å; E312-C329 HydrophobicContact CB-CB 4.37Å; M315-C329 VanDerWaalsContact CE-SG 3.53Å; A325-C329 PolarHBondContact O-N 3.38Å; A325-C329 VanDerWaalsContact O-N 3.09Å; R326-C329 PolarHBondContact O-N 2.79Å; M327-C329 VanDerWaalsContact C-N 3.32Å; M327-C329 PolarHBondContact O-N 3.01Å
330S95.9Very high95.8Very high47 Ų4763.7 Ų63.733%0.32933%0.332SS..SBendtrans-67.1153.2-179103.90000112.4K263 R326 M327 H332 T333K263-S330 WeakPolarHBondContact CE-O 3.29Å; K263-S330 PolarHBondContact NZ-O 3.15Å; R326-S330 PolarHBondContact O-N 2.86Å; M327-S330 PolarHBondContact O-N 3.49Å; S330-H332 VanDerWaalsContact C-N 3.26Å; S330-H332 PolarHBondContact O-N 2.93Å; S330-H332 PolarHBondContact OG-O 3.37Å; S330-T333 WeakPolarHBondContact CB-OG1 3.19Å; S330-T333 PolarHBondContact O-OG1 3.24Å; S330-T333 PolarHBondContact OG-OG1 2.87Å
331A90.2Very high95.6Very high79 Ų7968.7 Ų68.765%0.65335%0.353SS*.SBendtrans-60.3-34.8-177.800000113.1
332H86.4Confident95.5Very high180 Ų18066.3 Ų66.383%0.83333%0.333SS*.SBendtrans-128.596.5180-59.2-47.8000109.3S330S330-H332 VanDerWaalsContact C-N 3.26Å; S330-H332 PolarHBondContact O-N 2.93Å; S330-H332 PolarHBondContact OG-O 3.37Å
333T91.3Very high95.4Very high29 Ų2968 Ų6818%0.17834%0.342CS..  trans-122.6129.2-174.9-650000109.9M327 S330 Y335M327-T333 WeakPolarHBondContact O-CB 3.11Å; M327-T333 WeakPolarHBondContact O-CG2 3.37Å; M327-T333 PolarHBondContact O-OG1 2.8Å; S330-T333 WeakPolarHBondContact CB-OG1 3.19Å; S330-T333 PolarHBondContact O-OG1 3.24Å; S330-T333 PolarHBondContact OG-OG1 2.87Å; T333-Y335 HydrophobicContact CG2-CD1 3.91Å; T333-Y335 HydrophobicContact CG2-CE1 4.19Å; T333-Y335 HydrophobicContact CG2-CG 4.3Å; T333-Y335 PolarHBondContact O-N 3.12Å
334D94.6Very high95.4Very high103 Ų10364.1 Ų64.155%0.55132%0.323SS*.  trans-78100.2156177.48.4000108.2Y336 S337D334-Y336 PolarHBondContact O-N 3.37Å; D334-Y336 PolarHBondContact OD1-N 2.95Å; D334-S337 WeakPolarHBondContact O-CB 3.42Å; D334-S337 PolarHBondContact O-N 2.98Å; D334-S337 VanDerWaalsContact O-N 3.07Å; D334-S337 PolarHBondContact O-OG 2.77Å
335Y97Very high95.4Very high20 Ų2067 Ų678%0.07834%0.335CS..G310 helixtrans-58.6-30.9-177.9-72.9-67.7000113I256 L259 E260 K263 L328 T333 S337 V338 L339I256-Y335 HydrophobicContact CB-CD2 4.43Å; I256-Y335 HydrophobicContact CD1-CG 4.25Å; I256-Y335 HydrophobicContact CG1-CD1 4.16Å; I256-Y335 HydrophobicContact CG1-CD2 4.11Å; I256-Y335 HydrophobicContact CG1-CG 3.76Å; I256-Y335 HydrophobicContact CG2-CD2 3.66Å; I256-Y335 HydrophobicContact CG2-CE2 3.77Å; I256-Y335 HydrophobicContact CG2-CG 4.2Å; L259-Y335 HydrophobicContact CB-CE1 3.99Å; L259-Y335 VanDerWaalsContact CB-OH 3.31Å; L259-Y335 WeakPolarHBondContact CB-OH 3.44Å; L259-Y335 HydrophobicContact CD1-CD1 4.23Å; L259-Y335 HydrophobicContact CD1-CE1 3.6Å; L259-Y335 HydrophobicContact CG-CE1 4.42Å; E260-Y335 HydrophobicContact CG-CE2 4.06Å; E260-Y335 VanDerWaalsContact OE1-CE2 3.32Å; E260-Y335 WeakPolarHBondContact OE1-CE2 3.37Å; E260-Y335 PolarHBondContact OE1-OH 3.12Å; K263-Y335 WeakPolarHBondContact CE-OH 3.16Å; K263-Y335 PolarHBondContact NZ-OH 3.19Å; L328-Y335 HydrophobicContact CD2-CD1 3.88Å; L328-Y335 HydrophobicContact CD2-CE1 4.4Å; T333-Y335 HydrophobicContact CG2-CD1 3.91Å; T333-Y335 HydrophobicContact CG2-CE1 4.19Å; T333-Y335 HydrophobicContact CG2-CG 4.3Å; T333-Y335 PolarHBondContact O-N 3.12Å; Y335-S337 PolarHBondContact O-N 2.94Å; Y335-V338 PolarHBondContact O-N 2.69Å; Y335-V338 VanDerWaalsContact O-N 3.09Å; Y335-L339 PolarHBondContact O-N 2.74Å
336Y95.9Very high95.4Very high72 Ų7269.5 Ų69.528%0.28235%0.348SS..G310 helixtrans-78.6-5.4-178.4-62.5-60.7000113.5L253 I256 D334 V338 L339 K341L253-Y336 WeakPolarHBondContact CD2-OH 3.48Å; I256-Y336 HydrophobicContact CD1-CE1 4.1Å; D334-Y336 PolarHBondContact O-N 3.37Å; D334-Y336 PolarHBondContact OD1-N 2.95Å; Y336-V338 PolarHBondContact O-N 2.83Å; Y336-L339 WeakPolarHBondContact CA-O 3.45Å; Y336-K341 HydrophobicContact CD1-CB 3.43Å; Y336-K341 VanDerWaalsContact CD1-CB 3.43Å; Y336-K341 HydrophobicContact CD1-CD 4.17Å; Y336-K341 HydrophobicContact CD1-CG 3.61Å; Y336-K341 HydrophobicContact CD2-CD 4.06Å; Y336-K341 HydrophobicContact CD2-CG 4.29Å; Y336-K341 HydrophobicContact CE1-CB 3.97Å; Y336-K341 HydrophobicContact CE1-CG 3.81Å; Y336-K341 HydrophobicContact CE2-CD 4.48Å; Y336-K341 HydrophobicContact CE2-CG 4.44Å; Y336-K341 HydrophobicContact CG-CB 3.88Å; Y336-K341 HydrophobicContact CG-CD 3.87Å; Y336-K341 HydrophobicContact CG-CG 3.86Å
337S95.1Very high95.4Very high70 Ų7064.8 Ų64.849%0.4933%0.333SS..G310 helixtrans-69.5-15.5164710000112.9D334 Y335D334-S337 WeakPolarHBondContact O-CB 3.42Å; D334-S337 PolarHBondContact O-N 2.98Å; D334-S337 VanDerWaalsContact O-N 3.07Å; D334-S337 PolarHBondContact O-OG 2.77Å; Y335-S337 PolarHBondContact O-N 2.94Å
338V96.1Very high95.4Very high26 Ų2661.8 Ų61.816%0.15832%0.318CS..THydrogen-bonded Turntrans-123.4-51.4-178.3173.90000111.9P130 T324 M327 L328 Y335 Y336P130-V338 HydrophobicContact CG-CG1 4.24Å; P130-V338 WeakPolarHBondContact CG-O 3.21Å; T324-V338 HydrophobicContact CG2-CG1 3.4Å; T324-V338 VanDerWaalsContact CG2-CG1 3.4Å; T324-V338 HydrophobicContact CG2-CG2 4.46Å; M327-V338 HydrophobicContact CB-CG2 4.23Å; M327-V338 HydrophobicContact CE-CG2 3.83Å; L328-V338 HydrophobicContact CD1-CG1 3.97Å; L328-V338 HydrophobicContact CD2-CB 3.93Å; L328-V338 HydrophobicContact CD2-CG1 3.83Å; L328-V338 HydrophobicContact CD2-CG2 4.44Å; L328-V338 HydrophobicContact CG-CB 4.35Å; L328-V338 HydrophobicContact CG-CG1 3.9Å; Y335-V338 PolarHBondContact O-N 2.69Å; Y335-V338 VanDerWaalsContact O-N 3.09Å; Y336-V338 PolarHBondContact O-N 2.83Å
339L96.8Very high95.4Very high3 Ų365.9 Ų65.92%0.01634%0.336CS..SBendtrans-85.5146.7-176.7-57.9179.1000110.5S128 I129 V255 I256 L328 Y335 Y336 K341S128-L339 WeakPolarHBondContact O-CD2 3.41Å; I129-L339 HydrophobicContact CG1-CD2 4.18Å; V255-L339 HydrophobicContact CB-CD1 4.47Å; V255-L339 HydrophobicContact CG1-CD1 4.11Å; I256-L339 HydrophobicContact CD1-CD1 4.1Å; I256-L339 HydrophobicContact CG1-CD1 3.58Å; L328-L339 HydrophobicContact CD2-CD1 4.23Å; L328-L339 HydrophobicContact CD2-CD2 4.23Å; L328-L339 HydrophobicContact CD2-CG 3.97Å; Y335-L339 PolarHBondContact O-N 2.74Å; Y336-L339 WeakPolarHBondContact CA-O 3.45Å; L339-K341 PolarHBondContact O-N 2.74Å
340R93.8Very high95.4Very high136 Ų13665.6 Ų65.651%0.51333%0.334SS..PPolyproline II helixtrans-63.7122.1178.1-168.9-172.8167.1173-6.2110.6N383 E410R340-N383 PolarHBondContact NH1-OD1 3.23Å; R340-N383 PolarHBondContact NH2-ND2 3.04Å; R340-E410 IonicContact CZ-OE1 3.66Å; R340-E410 IonicContact NE-OE1 3.81Å; R340-E410 IonicContact NH2-OE1 3.63Å; R340-E410 PolarHBondContact NH2-OE1 2.57Å
341K94.4Very high95.2Very high108 Ų10866.8 Ų66.847%0.4734%0.34SS..PPolyproline II helixtrans-88.7150.7169.2-163.9178.9175.3-179.90110.3Y336 L339Y336-K341 HydrophobicContact CD1-CB 3.43Å; Y336-K341 VanDerWaalsContact CD1-CB 3.43Å; Y336-K341 HydrophobicContact CD1-CD 4.17Å; Y336-K341 HydrophobicContact CD1-CG 3.61Å; Y336-K341 HydrophobicContact CD2-CD 4.06Å; Y336-K341 HydrophobicContact CD2-CG 4.29Å; Y336-K341 HydrophobicContact CE1-CB 3.97Å; Y336-K341 HydrophobicContact CE1-CG 3.81Å; Y336-K341 HydrophobicContact CE2-CD 4.48Å; Y336-K341 HydrophobicContact CE2-CG 4.44Å; Y336-K341 HydrophobicContact CG-CB 3.88Å; Y336-K341 HydrophobicContact CG-CD 3.87Å; Y336-K341 HydrophobicContact CG-CG 3.86Å; L339-K341 PolarHBondContact O-N 2.74Å
342S95.7Very high95.4Very high6 Ų667.1 Ų67.14%0.04233%0.331CS..PPolyproline II helixtrans-79.2152.1170.762.30000110.4H344 H408S342-H344 VanDerWaalsContact C-N 3.27Å; S342-H344 PolarHBondContact O-N 3.41Å; S342-H344 PolarHBondContact OG-O 3.01Å; S342-H408 WeakPolarHBondContact OG-CB 3.33Å; S342-H408 PolarHBondContact OG-ND1 3.47Å
343D95.8Very high95.8Very high127 Ų12763.8 Ų63.868%0.67932%0.319SS*.SBendtrans-71.7-27.5179.1-68.6-20.6000111.7E410D343-E410 WeakPolarHBondContact CB-OE2 3.32Å; D343-E410 PolarHBondContact N-OE2 3.22Å
344H97.8Very high96Very high66 Ų6663.2 Ų63.231%0.30632%0.319SS..EExtended strand (participates in β ladder)trans-129.7155.2-176.7-52.7-57.5000113.6S342 Y409 D411S342-H344 VanDerWaalsContact C-N 3.27Å; S342-H344 PolarHBondContact O-N 3.41Å; S342-H344 PolarHBondContact OG-O 3.01Å; H344-Y409 HydrophobicContact CB-CD1 4Å; H344-Y409 HydrophobicContact CB-CD2 3.92Å; H344-Y409 HydrophobicContact CB-CE1 3.52Å; H344-Y409 HydrophobicContact CB-CE2 3.43Å; H344-Y409 VanDerWaalsContact CB-CE2 3.43Å; H344-Y409 HydrophobicContact CB-CG 4.19Å; H344-Y409 AromaticContact CD2-CE2 3.82Å; H344-Y409 AromaticContact CG-CE2 3.85Å; H344-Y409 AromaticContact CG-CZ 3.98Å; H344-Y409 PolarHBondContact N-O 2.67Å; H344-Y409 PolarHBondContact O-N 3.23Å; H344-D411 IonicContact NE2-OD1 3.82Å; H344-D411 IonicContact NE2-OD2 2.94Å
345Q97.7Very high96Very high91 Ų9158.7 Ų58.743%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-136.4136172.6-67.2179.5-4.700109.9R406 I407 H408Q345-R406 HydrophobicContact CB-CG 4.43Å; Q345-I407 CarbonylContact C-O 3.58Å; Q345-I407 VanDerWaalsContact CA-O 3.23Å; Q345-I407 WeakPolarHBondContact CA-O 3.3Å; Q345-H408 PolarHBondContact NE2-CE1 3.28Å; Q345-H408 PolarHBondContact NE2-ND1 3.17Å
346L97.7Very high95.8Very high53 Ų5357.8 Ų57.828%0.27729%0.292SS..EExtended strand (participates in β ladder)trans-126.1126.9174.8173.565.5000109.6L348 I407 Y409 I419L346-L348 HydrophobicContact CD2-CD2 4.22Å; L346-L348 HydrophobicContact CG-CD2 4.31Å; L346-I407 HydrophobicContact CD2-CD1 4.41Å; L346-I407 PolarHBondContact N-O 3.45Å; L346-I407 PolarHBondContact O-N 3.42Å; L346-Y409 HydrophobicContact CB-CD1 4.3Å; L346-Y409 HydrophobicContact CB-CE1 3.7Å; L346-I419 HydrophobicContact CD2-CD1 3.97Å; L346-I419 HydrophobicContact CD2-CG1 4.27Å
347E98.3Very high95.6Very high64 Ų6457 Ų5730%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-98.9127.1173.9-66.6-17117000111.7K349 L391 S403 L405 R406E347-K349 IonicContact OE2-NZ 3.76Å; E347-K349 PolarHBondContact OE2-NZ 3.29Å; E347-L391 HydrophobicContact CG-CD1 4.46Å; E347-S403 WeakPolarHBondContact OE2-CB 3.44Å; E347-S403 PolarHBondContact OE2-OG 3.42Å; E347-L405 CarbonylContact C-O 3.54Å; E347-L405 VanDerWaalsContact CA-O 3.29Å; E347-L405 WeakPolarHBondContact CA-O 3.4Å; E347-R406 HydrophobicContact CG-CB 4.25Å; E347-R406 HydrophobicContact CG-CG 4.25Å; E347-R406 IonicContact OE1-CZ 3.13Å; E347-R406 IonicContact OE1-NE 2.9Å; E347-R406 PolarHBondContact OE1-NE 3.09Å; E347-R406 VanDerWaalsContact OE1-NE 3.13Å; E347-R406 IonicContact OE1-NH2 3.4Å; E347-R406 PolarHBondContact OE1-NH2 3.26Å
348L98.1Very high95.4Very high7 Ų754.6 Ų54.64%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-89137.4169.6-56.6-170.9000110.1L346 S403 W404 L405 I407 I419 L422 Q423L346-L348 HydrophobicContact CD2-CD2 4.22Å; L346-L348 HydrophobicContact CG-CD2 4.31Å; L348-S403 WeakPolarHBondContact O-CA 3.39Å; L348-W404 HydrophobicContact CB-CZ2 4.25Å; L348-W404 HydrophobicContact CD1-CZ2 3.96Å; L348-W404 PolarHBondContact O-N 2.98Å; L348-L405 HydrophobicContact CB-CB 4.27Å; L348-L405 HydrophobicContact CD1-CD2 4Å; L348-L405 PolarHBondContact N-O 2.68Å; L348-I407 HydrophobicContact CD1-CD1 4.08Å; L348-I407 HydrophobicContact CD2-CD1 4.36Å; L348-I407 HydrophobicContact CG-CD1 4.03Å; L348-I419 HydrophobicContact CD2-CG2 3.98Å; L348-L422 HydrophobicContact CD1-CB 3.51Å; L348-L422 HydrophobicContact CD1-CD1 4.08Å; L348-L422 HydrophobicContact CD1-CG 4.46Å; L348-Q423 HydrophobicContact CD1-CG 4.34Å
349K97.9Very high95.3Very high87 Ų8754.1 Ų54.138%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-104.8147.4-177.2-50.6-56.2-170.5174.60111.4E347 G401 A402 S403 Q423E347-K349 IonicContact OE2-NZ 3.76Å; E347-K349 PolarHBondContact OE2-NZ 3.29Å; K349-G401 WeakPolarHBondContact CD-O 3.17Å; K349-A402 CarbonylContact C-O 3.48Å; K349-A402 WeakPolarHBondContact CA-O 3.33Å; K349-S403 PolarHBondContact NZ-OG 3.31Å; K349-Q423 PolarHBondContact O-NE2 3.1Å; K349-Q423 PolarHBondContact O-OE1 3.4Å
350T96Very high95.2Very high4 Ų457 Ų573%0.02529%0.293CS..  trans-64.1134177.753.40000110.5V398 Q399 G401 A402 W404 L426T350-V398 HydrophobicContact CG2-CB 4.12Å; T350-V398 HydrophobicContact CG2-CG2 3.96Å; T350-Q399 PolarHBondContact OG1-O 2.81Å; T350-G401 PolarHBondContact O-N 2.95Å; T350-G401 PolarHBondContact OG1-N 3.15Å; T350-G401 VanDerWaalsContact OG1-N 3.16Å; T350-A402 PolarHBondContact N-O 2.73Å; T350-A402 PolarHBondContact OG1-N 3.32Å; T350-A402 PolarHBondContact OG1-O 3.44Å; T350-W404 HydrophobicContact CG2-CB 3.91Å; T350-W404 HydrophobicContact CG2-CG 4.34Å; T350-L426 HydrophobicContact CG2-CD2 4.05Å
351P92.6Very high95.2Very high71 Ų7150.6 Ų50.646%0.46127%0.269SS..SBendtrans-80.1-22.9-176.230-34.2000113.5K400P351-K400 WeakPolarHBondContact O-CD 3.2Å; P351-K400 WeakPolarHBondContact O-CE 3.47Å; P351-K400 WeakPolarHBondContact O-CG 3.32Å
352I94.3Very high95.2Very high87 Ų8747.2 Ų47.245%0.44626%0.256SS..SBendtrans-141.7161.2-174.462.9174.1000110.8V428I352-V428 HydrophobicContact CD1-CB 4.04Å; I352-V428 HydrophobicContact CD1-CG1 4.18Å; I352-V428 HydrophobicContact CG1-CB 3.93Å; I352-V428 HydrophobicContact CG1-CG1 3.93Å
353D95.8Very high95.2Very high109 Ų10948.2 Ų48.258%0.58326%0.262SS*.SBendtrans-73.4148.4165.6-53-48.2000110.2V398 Q399 K400D353-V398 WeakPolarHBondContact CA-O 3.32Å; D353-Q399 VanDerWaalsContact OD1-CA 3.29Å; D353-Q399 WeakPolarHBondContact OD1-CA 3.41Å; D353-K400 PolarHBondContact OD1-N 3.4Å
354G95.3Very high95.2Very high18 Ų1842.3 Ų42.319%0.18623%0.23CC..EExtended strand (participates in β ladder)trans155.7-156.8171.300000113.4T397 V398G354-T397 CarbonylContact O-C 3.54Å; G354-T397 WeakPolarHBondContact O-CA 3.31Å; G354-V398 PolarHBondContact N-O 2.77Å; G354-V398 PolarHBondContact O-N 3.46Å
355V94.2Very high95Very high8 Ų839.4 Ų39.45%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-109132.2177.5-179.10000109.1V357 Q396 V428 G429 N431V355-V357 PolarHBondContact O-N 2.74Å; V355-Q396 WeakPolarHBondContact CA-O 3.12Å; V355-V428 WeakPolarHBondContact O-CA 3.34Å; V355-G429 PolarHBondContact N-O 3.18Å; V355-G429 PolarHBondContact O-N 2.91Å; V355-N431 HydrophobicContact CG2-CB 4.31Å
356V93Very high94.9Very high1 Ų139 Ų391%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-65.1115.3174.1178.50000108.4V392 G395 Q396 V398 L426V356-V392 HydrophobicContact CG1-CG2 4.24Å; V356-V392 HydrophobicContact CG2-CB 4.06Å; V356-V392 HydrophobicContact CG2-CG2 3.96Å; V356-G395 PolarHBondContact O-N 2.63Å; V356-Q396 PolarHBondContact N-O 3.19Å; V356-V398 HydrophobicContact CG2-CG1 3.75Å; V356-V398 HydrophobicContact CG2-CG2 4.01Å; V356-L426 HydrophobicContact CG1-CD1 4.07Å
357V91.2Very high94.8Very high55 Ų5536.6 Ų36.633%0.33320%0.203SC..EExtended strand (participates in β ladder)trans-87-41.3177.9178.30000110.1V355 T427V355-V357 PolarHBondContact O-N 2.74Å; V357-T427 HydrophobicContact CB-CG2 3.88Å; V357-T427 HydrophobicContact CG1-CG2 4.31Å; V357-T427 HydrophobicContact CG2-CG2 4.28Å; V357-T427 PolarHBondContact N-O 2.91Å
358G90.9Very high94.6Very high20 Ų2033.7 Ų33.721%0.20619%0.19CC..EExtended strand (participates in β ladder)trans179.1171.9-179.600000112.6T427G358-T427 PolarHBondContact O-N 3.13Å
359V93.4Very high94.3Very high15 Ų1535.4 Ų35.49%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-126.4129.5174.9177.90000107.5G243 G361 L390 W404 A425 L426G243-V359 WeakPolarHBondContact CA-O 3.43Å; V359-G361 PolarHBondContact O-N 3.22Å; V359-G361 VanDerWaalsContact O-N 3.13Å; V359-L390 HydrophobicContact CG1-CD2 4.18Å; V359-L390 HydrophobicContact CG2-CD2 4.14Å; V359-W404 HydrophobicContact CG1-CZ3 3.97Å; V359-W404 HydrophobicContact CG2-CE3 4.35Å; V359-W404 HydrophobicContact CG2-CZ3 4.1Å; V359-A425 CarbonylContact C-O 3.49Å; V359-A425 WeakPolarHBondContact CA-O 3.35Å; V359-L426 HydrophobicContact CG2-CD1 4.02Å
360D95.5Very high94Very high65 Ų6538 Ų3835%0.34821%0.209SC..  trans-69.5105.7173.9-173.4-37000110L362 V363 L364 A425D360-L362 VanDerWaalsContact C-N 3.3Å; D360-L362 PolarHBondContact O-N 3.15Å; D360-L362 WeakPolarHBondContact OD1-CA 3.23Å; D360-L362 WeakPolarHBondContact OD1-CB 3.43Å; D360-L362 PolarHBondContact OD1-N 3.39Å; D360-V363 HydrophobicContact CB-CB 4.25Å; D360-V363 HydrophobicContact CB-CG2 4.18Å; D360-V363 PolarHBondContact OD1-N 2.99Å; D360-L364 PolarHBondContact O-N 2.94Å; D360-A425 HydrophobicContact CB-CB 3.98Å; D360-A425 PolarHBondContact N-O 2.77Å
361G94.3Very high93.9Very high0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-67.1-31.4-178.700000112.8D242 V359 L364 A365D242-G361 PolarHBondContact O-N 3.05Å; V359-G361 PolarHBondContact O-N 3.22Å; V359-G361 VanDerWaalsContact O-N 3.13Å; G361-L364 PolarHBondContact O-N 2.86Å; G361-A365 VanDerWaalsContact O-CB 3.29Å; G361-A365 WeakPolarHBondContact O-CB 3.46Å; G361-A365 PolarHBondContact O-N 3.04Å
362L94Very high93.9Very high37 Ų3736.9 Ų36.919%0.19420%0.204CC..Hα-helixtrans-68.7-46.6-178.4179.160.7000110.5H118 A207 D360 L364 A365 Q366H118-L362 HydrophobicContact CB-CD1 4.09Å; H118-L362 WeakPolarHBondContact CD2-CD1 3.48Å; H118-L362 VanDerWaalsContact CG-CD1 3.46Å; A207-L362 HydrophobicContact CB-CB 3.98Å; D360-L362 VanDerWaalsContact C-N 3.3Å; D360-L362 PolarHBondContact O-N 3.15Å; D360-L362 WeakPolarHBondContact OD1-CA 3.23Å; D360-L362 WeakPolarHBondContact OD1-CB 3.43Å; D360-L362 PolarHBondContact OD1-N 3.39Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 2.93Å; L362-A365 PolarHBondContact O-N 2.98Å; L362-Q366 HydrophobicContact CD1-CG 4.2Å; L362-Q366 HydrophobicContact CG-CG 4.5Å; L362-Q366 WeakPolarHBondContact O-CB 3.5Å; L362-Q366 VanDerWaalsContact O-CG 3.29Å; L362-Q366 WeakPolarHBondContact O-CG 3.4Å; L362-Q366 PolarHBondContact O-N 3.19Å
363V96Very high93.8Very high28 Ų2833.4 Ų33.417%0.1719%0.188CC..Hα-helixtrans-60.4-45.4177.1173.80000110.4D360 A365 Q366 V367 L421 A425D360-V363 HydrophobicContact CB-CB 4.25Å; D360-V363 HydrophobicContact CB-CG2 4.18Å; D360-V363 PolarHBondContact OD1-N 2.99Å; V363-A365 PolarHBondContact O-N 2.73Å; V363-Q366 PolarHBondContact O-N 2.76Å; V363-V367 WeakPolarHBondContact O-CG2 3.46Å; V363-V367 PolarHBondContact O-N 3.08Å; V363-L421 HydrophobicContact CG1-CB 4.13Å; V363-L421 WeakPolarHBondContact CG1-O 3.38Å; V363-A425 HydrophobicContact CB-CB 4.03Å; V363-A425 HydrophobicContact CG1-CB 3.93Å
364L95.8Very high93.4Very high2 Ų229.3 Ų29.31%0.0117%0.172CC..Hα-helixtrans-57.8-50.1177-179.660.1000111.3T244 V249 D360 G361 L362 Q366 V367 L368 A388 L405 L422T244-L364 HydrophobicContact CG2-CD2 3.8Å; V249-L364 HydrophobicContact CB-CD2 4.31Å; V249-L364 HydrophobicContact CG2-CD2 3.8Å; D360-L364 PolarHBondContact O-N 2.94Å; G361-L364 PolarHBondContact O-N 2.86Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 2.93Å; L364-Q366 PolarHBondContact O-N 2.8Å; L364-V367 PolarHBondContact O-N 2.86Å; L364-L368 HydrophobicContact CD1-CD1 3.99Å; L364-L368 HydrophobicContact CD1-CG 4.18Å; L364-L368 HydrophobicContact CG-CD1 4.01Å; L364-L368 WeakPolarHBondContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.11Å; L364-L368 PolarHBondContact O-N 3.18Å; L364-A388 HydrophobicContact CD1-CB 3.93Å; L364-L405 HydrophobicContact CD1-CD1 4.08Å; L364-L405 HydrophobicContact CD1-CD2 4.03Å; L364-L405 HydrophobicContact CD2-CD1 4.48Å; L364-L422 HydrophobicContact CD1-CD2 3.7Å
365A93.9Very high92.8Very high5 Ų530.3 Ų30.34%0.04117%0.17CC..Hα-helixtrans-62.7-42.5-178.600000113V89 H118 G361 L362 V363 V367 L368 Q369V89-A365 HydrophobicContact CB-CB 4.45Å; V89-A365 HydrophobicContact CG1-CB 3.93Å; V89-A365 HydrophobicContact CG2-CB 3.63Å; H118-A365 HydrophobicContact CB-CB 4.14Å; H118-A365 WeakPolarHBondContact O-CB 3.48Å; G361-A365 VanDerWaalsContact O-CB 3.29Å; G361-A365 WeakPolarHBondContact O-CB 3.46Å; G361-A365 PolarHBondContact O-N 3.04Å; L362-A365 PolarHBondContact O-N 2.98Å; V363-A365 PolarHBondContact O-N 2.73Å; A365-V367 PolarHBondContact O-N 3.03Å; A365-L368 PolarHBondContact O-N 2.92Å; A365-Q369 WeakPolarHBondContact O-CB 3.41Å; A365-Q369 PolarHBondContact O-N 3.47Å
366Q94.3Very high91.9Very high82 Ų8234.3 Ų34.338%0.38320%0.199SC..Hα-helixtrans-64.3-39.2177.5-74.1177.2-10.200112.5H118 L362 V363 L364 K370H118-Q366 HydrophobicContact CB-CG 4.28Å; L362-Q366 HydrophobicContact CD1-CG 4.2Å; L362-Q366 HydrophobicContact CG-CG 4.5Å; L362-Q366 WeakPolarHBondContact O-CB 3.5Å; L362-Q366 VanDerWaalsContact O-CG 3.29Å; L362-Q366 WeakPolarHBondContact O-CG 3.4Å; L362-Q366 PolarHBondContact O-N 3.19Å; V363-Q366 PolarHBondContact O-N 2.76Å; L364-Q366 PolarHBondContact O-N 2.8Å; Q366-K370 WeakPolarHBondContact O-CG 2.89Å; Q366-K370 PolarHBondContact O-N 3.09Å
367V95.4Very high91Very high3 Ų341.2 Ų41.22%0.01823%0.228CC..Hα-helixtrans-68.4-46176.3173.70000110.2V363 L364 A365 Q369 K370 L371 Q418 L421 L422V363-V367 WeakPolarHBondContact O-CG2 3.46Å; V363-V367 PolarHBondContact O-N 3.08Å; L364-V367 PolarHBondContact O-N 2.86Å; A365-V367 PolarHBondContact O-N 3.03Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 2.99Å; V367-K370 WeakPolarHBondContact O-CB 3.44Å; V367-K370 PolarHBondContact O-N 3.26Å; V367-K370 VanDerWaalsContact O-N 3.14Å; V367-L371 HydrophobicContact CG1-CD1 4.03Å; V367-L371 HydrophobicContact CG1-CG 4.45Å; V367-L371 WeakPolarHBondContact O-CG 3.35Å; V367-L371 PolarHBondContact O-N 3.02Å; V367-Q418 HydrophobicContact CG1-CB 3.95Å; V367-Q418 HydrophobicContact CG1-CG 4.22Å; V367-L421 HydrophobicContact CG2-CB 4.33Å; V367-L422 HydrophobicContact CB-CD2 3.96Å; V367-L422 HydrophobicContact CB-CG 4.2Å; V367-L422 HydrophobicContact CG1-CD1 3.8Å; V367-L422 HydrophobicContact CG1-CD2 4.17Å; V367-L422 HydrophobicContact CG1-CG 3.96Å; V367-L422 HydrophobicContact CG2-CD2 4.1Å; V367-L422 HydrophobicContact CG2-CG 4.12Å
368L94.9Very high90Very high4 Ų443 Ų432%0.02125%0.248CC..Hα-helixtrans-63.2-37.8178.3-69.6178.5000112.9V249 L364 A365 K370 L371 G372 A373 A388 I407V249-L368 HydrophobicContact CB-CD1 3.83Å; V249-L368 HydrophobicContact CG1-CD1 3.62Å; L364-L368 HydrophobicContact CD1-CD1 3.99Å; L364-L368 HydrophobicContact CD1-CG 4.18Å; L364-L368 HydrophobicContact CG-CD1 4.01Å; L364-L368 WeakPolarHBondContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.11Å; L364-L368 PolarHBondContact O-N 3.18Å; A365-L368 PolarHBondContact O-N 2.92Å; L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 3.26Å; L368-L371 HydrophobicContact CD2-CD1 4.36Å; L368-L371 CarbonylContact O-C 3.55Å; L368-L371 PolarHBondContact O-N 3.21Å; L368-L371 VanDerWaalsContact O-N 3.13Å; L368-G372 PolarHBondContact O-N 3.24Å; L368-G372 VanDerWaalsContact O-N 3.15Å; L368-A373 HydrophobicContact CB-CB 4.01Å; L368-A373 WeakPolarHBondContact O-CB 3.48Å; L368-A373 PolarHBondContact O-N 3.27Å; L368-A388 HydrophobicContact CD1-CB 3.95Å; L368-A388 HydrophobicContact CD2-CB 4.14Å; L368-I407 HydrophobicContact CD2-CG2 4.41Å
369Q92.3Very high89.1Confident42 Ų4245.7 Ų45.720%0.19628%0.277CS..Iπ-helixtrans-57.5-46.5172.6-176-173.121.900110.9A117 A365 V367 L371 G372 R375A117-Q369 PolarHBondContact O-NE2 3.05Å; A365-Q369 WeakPolarHBondContact O-CB 3.41Å; A365-Q369 PolarHBondContact O-N 3.47Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 2.99Å; Q369-L371 PolarHBondContact O-N 2.92Å; Q369-G372 PolarHBondContact O-N 2.99Å; Q369-R375 PolarHBondContact NE2-O 3.47Å
370K92Very high88.6Confident142 Ų14248.4 Ų48.462%0.61729%0.288SS*.Iπ-helixtrans-65.9-26.4177-70173.1-178.7177.90113.3Q366 V367 L368 G372Q366-K370 WeakPolarHBondContact O-CG 2.89Å; Q366-K370 PolarHBondContact O-N 3.09Å; V367-K370 WeakPolarHBondContact O-CB 3.44Å; V367-K370 PolarHBondContact O-N 3.26Å; V367-K370 VanDerWaalsContact O-N 3.14Å; L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 3.26Å; K370-G372 VanDerWaalsContact C-N 3.26Å
371L93.5Very high88.2Confident29 Ų2951 Ų5115%0.15231%0.309CS..Iπ-helixtrans-82.3-3173.7-64.2173.9000112.9V367 L368 Q369 V386 I407 P414V367-L371 HydrophobicContact CG1-CD1 4.03Å; V367-L371 HydrophobicContact CG1-CG 4.45Å; V367-L371 WeakPolarHBondContact O-CG 3.35Å; V367-L371 PolarHBondContact O-N 3.02Å; L368-L371 HydrophobicContact CD2-CD1 4.36Å; L368-L371 CarbonylContact O-C 3.55Å; L368-L371 PolarHBondContact O-N 3.21Å; L368-L371 VanDerWaalsContact O-N 3.13Å; Q369-L371 PolarHBondContact O-N 2.92Å; L371-V386 HydrophobicContact CB-CG1 3.76Å; L371-I407 HydrophobicContact CD1-CG2 4.04Å; L371-P414 HydrophobicContact CD1-CB 4.43Å; L371-P414 HydrophobicContact CD1-CG 3.92Å; L371-P414 HydrophobicContact CD2-CB 4.29Å; L371-P414 HydrophobicContact CD2-CG 4.08Å
372G92Very high88.1Confident23 Ų2352.1 Ų52.124%0.23732%0.315CS..Iπ-helixtrans103.65.2174.100000115.5L368 Q369 K370 G374 N383L368-G372 PolarHBondContact O-N 3.24Å; L368-G372 VanDerWaalsContact O-N 3.15Å; Q369-G372 PolarHBondContact O-N 2.99Å; K370-G372 VanDerWaalsContact C-N 3.26Å; G372-G374 PolarHBondContact O-N 2.94Å; G372-N383 PolarHBondContact O-N 3.47Å
373A92.3Very high88.1Confident13 Ų1351.5 Ų51.511%0.10731%0.311CS..Iπ-helixtrans-70.7-1517600000113.5N251 L368 V386N251-A373 PolarHBondContact ND2-O 2.84Å; L368-A373 HydrophobicContact CB-CB 4.01Å; L368-A373 WeakPolarHBondContact O-CB 3.48Å; L368-A373 PolarHBondContact O-N 3.27Å; A373-V386 HydrophobicContact CB-CB 4.24Å; A373-V386 HydrophobicContact CB-CG1 4Å
374G87.9Confident88Confident24 Ų2452 Ų5225%0.24731%0.312CS..SBendtrans-141.5175.7179.900000111.5G372G372-G374 PolarHBondContact O-N 2.94Å
375R82.1Confident88.1Confident39 Ų3952.1 Ų52.115%0.14731%0.313CS..  trans-92.8146.3-178-62.1-176.8-177.578.910111.2D124 Q369 K377 E380 I382D124-R375 IonicContact OD1-CZ 2.62Å; D124-R375 IonicContact OD1-NH1 2.72Å; D124-R375 PolarHBondContact OD1-NH1 3.38Å; D124-R375 IonicContact OD1-NH2 3.64Å; D124-R375 PolarHBondContact OD1-NH2 3.16Å; D124-R375 IonicContact OD2-NH1 2.74Å; D124-R375 PolarHBondContact OD2-NH1 3.26Å; Q369-R375 PolarHBondContact NE2-O 3.47Å; R375-K377 WeakPolarHBondContact CB-O 3.35Å; R375-E380 WeakPolarHBondContact CD-O 3.4Å; R375-E380 HydrophobicContact CG-CB 4.42Å; R375-E380 PolarHBondContact NE-O 3.4Å; R375-I382 HydrophobicContact CB-CG2 4.43Å; R375-I382 HydrophobicContact CG-CG2 3.33Å
376S75.8Confident88.2Confident92 Ų9251.9 Ų51.964%0.64331%0.311SS*.SBendtrans-91.7-28.3164.7-630000111.2E380S376-E380 PolarHBondContact N-OE2 2.94Å; S376-E380 VanDerWaalsContact N-OE2 3.12Å
377K72.9Confident88.3Confident146 Ų14648 Ų4864%0.63529%0.293SS*.SBendtrans-135.8151.3175-59.2176.5-177.1171.10112.1R375 G379 E380R375-K377 WeakPolarHBondContact CB-O 3.35Å; K377-G379 PolarHBondContact O-N 2.9Å; K377-E380 HydrophobicContact CB-CG 4.14Å; K377-E380 PolarHBondContact N-OE2 3.35Å; K377-E380 WeakPolarHBondContact O-CB 3.48Å; K377-E380 PolarHBondContact O-N 3.38Å
378A70.3Confident88.5Confident91 Ų9147.9 Ų47.975%0.75229%0.292SS*.THydrogen-bonded Turntrans-56.4132.7174.800000111.4
379G73.3Confident88.6Confident78 Ų7850.5 Ų50.580%0.80430%0.304SS*.THydrogen-bonded Turntrans89.2-9.7179.500000115.5K377K377-G379 PolarHBondContact O-N 2.9Å
380E82.1Confident88.9Confident71 Ų7149 Ų4933%0.33230%0.297SS..  trans-66.7144.8174.3-71.9176.2168.300111.5R375 S376 K377R375-E380 WeakPolarHBondContact CD-O 3.4Å; R375-E380 HydrophobicContact CG-CB 4.42Å; R375-E380 PolarHBondContact NE-O 3.4Å; S376-E380 PolarHBondContact N-OE2 2.94Å; S376-E380 VanDerWaalsContact N-OE2 3.12Å; K377-E380 HydrophobicContact CB-CG 4.14Å; K377-E380 PolarHBondContact N-OE2 3.35Å; K377-E380 WeakPolarHBondContact O-CB 3.48Å; K377-E380 PolarHBondContact O-N 3.38Å
381P87Confident89.1Confident121 Ų12144.4 Ų44.479%0.78628%0.279SS*.  trans-66.5153.9169.530.5-34.4000110.1
382I91.4Very high89.2Confident23 Ų2343.2 Ų43.212%0.11827%0.273CS..  trans-116158.5170.560.7175.5000109.3D124 R375 H384D124-I382 HydrophobicContact CB-CD1 3.51Å; R375-I382 HydrophobicContact CB-CG2 4.43Å; R375-I382 HydrophobicContact CG-CG2 3.33Å; I382-H384 VanDerWaalsContact CD1-CD2 3.45Å; I382-H384 WeakPolarHBondContact CD1-CD2 3.2Å; I382-H384 WeakPolarHBondContact CD1-NE2 3.44Å; I382-H384 VanDerWaalsContact CG1-CD2 3.49Å; I382-H384 WeakPolarHBondContact CG1-CD2 3.19Å; I382-H384 WeakPolarHBondContact CG1-NE2 3.37Å
383N93.9Very high89.1Confident23 Ų2343.7 Ų43.712%0.12327%0.273CS..  trans-95.2111.1169-167.3-11.2000110.8R340 G372 S385 V386 E410R340-N383 PolarHBondContact NH1-OD1 3.23Å; R340-N383 PolarHBondContact NH2-ND2 3.04Å; G372-N383 PolarHBondContact O-N 3.47Å; N383-S385 VanDerWaalsContact CG-OG 3.3Å; N383-S385 PolarHBondContact ND2-OG 2.84Å; N383-S385 PolarHBondContact O-N 3.5Å; N383-S385 PolarHBondContact OD1-N 2.65Å; N383-S385 PolarHBondContact OD1-OG 3.03Å; N383-V386 HydrophobicContact CB-CB 4.4Å; N383-V386 HydrophobicContact CB-CG2 3.81Å; N383-V386 PolarHBondContact O-N 3.01Å; N383-E410 WeakPolarHBondContact ND2-CG 3.37Å; N383-E410 PolarHBondContact ND2-OE1 3.08Å
384H95.8Very high88.9Confident40 Ų4046.8 Ų46.819%0.18529%0.292CS..THydrogen-bonded Turntrans-68.5-20179.7-59.8149.1000114.2D124 E127 N251 S252 I382D124-H384 PolarHBondContact O-NE2 2.88Å; E127-H384 PolarHBondContact O-CE1 2.95Å; E127-H384 VanDerWaalsContact O-CE1 3.31Å; E127-H384 PolarHBondContact O-ND1 2.81Å; N251-H384 HydrophobicContact CB-CB 4.07Å; S252-H384 WeakPolarHBondContact CB-O 3.5Å; S252-H384 PolarHBondContact N-O 3.35Å; S252-H384 PolarHBondContact OG-O 3.31Å; I382-H384 VanDerWaalsContact CD1-CD2 3.45Å; I382-H384 WeakPolarHBondContact CD1-CD2 3.2Å; I382-H384 WeakPolarHBondContact CD1-NE2 3.44Å; I382-H384 VanDerWaalsContact CG1-CD2 3.49Å; I382-H384 WeakPolarHBondContact CG1-CD2 3.19Å; I382-H384 WeakPolarHBondContact CG1-NE2 3.37Å
385S96.3Very high88.9Confident3 Ų347.2 Ų47.22%0.02130%0.296CS..THydrogen-bonded Turntrans-80.4-23.118070.80000113.8N383 E410N383-S385 VanDerWaalsContact CG-OG 3.3Å; N383-S385 PolarHBondContact ND2-OG 2.84Å; N383-S385 PolarHBondContact O-N 3.5Å; N383-S385 PolarHBondContact OD1-N 2.65Å; N383-S385 PolarHBondContact OD1-OG 3.03Å; S385-E410 PolarHBondContact OG-OE1 3.13Å
386V96.8Very high89.4Confident1 Ų149.1 Ų49.11%0.00631%0.307CS..  trans-77.7138.2-177.9178.20000109.7L371 A373 N383 H408 E410L371-V386 HydrophobicContact CB-CG1 3.76Å; A373-V386 HydrophobicContact CB-CB 4.24Å; A373-V386 HydrophobicContact CB-CG1 4Å; N383-V386 HydrophobicContact CB-CB 4.4Å; N383-V386 HydrophobicContact CB-CG2 3.81Å; N383-V386 PolarHBondContact O-N 3.01Å; V386-H408 WeakPolarHBondContact CA-O 3.48Å; V386-H408 WeakPolarHBondContact CG1-O 3.47Å; V386-E410 HydrophobicContact CG2-CG 4.23Å
387G97.3Very high90.3Very high0 Ų049.9 Ų49.90%031%0.308CS..EExtended strand (participates in β ladder)trans172.4-169.4179.700000112.1V249 H408V249-G387 CarbonylContact O-C 3.47Å; V249-G387 WeakPolarHBondContact O-CA 3.35Å; G387-H408 PolarHBondContact N-O 3.11Å; G387-H408 VanDerWaalsContact N-O 3.1Å; G387-H408 PolarHBondContact O-N 3.35Å
388A98Very high91.4Very high1 Ų143.3 Ų43.31%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-141154.417200000112.7V249 L364 L368 L405 R406V249-A388 PolarHBondContact N-O 3.14Å; V249-A388 PolarHBondContact O-N 3.35Å; L364-A388 HydrophobicContact CD1-CB 3.93Å; L368-A388 HydrophobicContact CD1-CB 3.95Å; L368-A388 HydrophobicContact CD2-CB 4.14Å; A388-L405 HydrophobicContact CB-CD1 3.75Å; A388-L405 HydrophobicContact CB-CG 4.23Å; A388-R406 CarbonylContact C-O 3.52Å; A388-R406 WeakPolarHBondContact CA-O 3.49Å; A388-R406 WeakPolarHBondContact CB-O 3.49Å
389E98.2Very high92.7Very high58 Ų5846.1 Ų46.127%0.27128%0.278SS..EExtended strand (participates in β ladder)trans-119.1125.5174.2-177.9-171.6-173.700108.9R247 L391 L405 R406R247-E389 CarbonylContact O-C 3.15Å; R247-E389 WeakPolarHBondContact O-CA 3.38Å; E389-L391 HydrophobicContact CG-CD2 4.06Å; E389-L391 PolarHBondContact O-N 3.42Å; E389-L405 WeakPolarHBondContact O-CA 3.45Å; E389-R406 HydrophobicContact CB-CB 4.35Å; E389-R406 PolarHBondContact N-O 3.03Å; E389-R406 PolarHBondContact O-N 3.06Å; E389-R406 IonicContact OE1-NH1 2.65Å; E389-R406 IonicContact OE2-CZ 2.77Å; E389-R406 IonicContact OE2-NH1 2.63Å; E389-R406 PolarHBondContact OE2-NH1 3.31Å
390L97.5Very high93.8Very high10 Ų1049.4 Ų49.45%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-75.8119.7168.7-63.8-178.1000109.4T244 R247 V359 V392 W404 L405T244-L390 HydrophobicContact CG2-CD1 4.25Å; T244-L390 WeakPolarHBondContact OG1-CD1 3.29Å; R247-L390 HydrophobicContact CB-CB 4.17Å; R247-L390 PolarHBondContact O-N 3.45Å; V359-L390 HydrophobicContact CG1-CD2 4.18Å; V359-L390 HydrophobicContact CG2-CD2 4.14Å; L390-V392 VanDerWaalsContact C-N 3.32Å; L390-W404 HydrophobicContact CD2-CE3 4.45Å; L390-W404 HydrophobicContact CD2-CZ3 4.29Å; L390-L405 HydrophobicContact CD2-CD1 3.62Å
391L97.5Very high94.5Very high46 Ų4648 Ų4824%0.24128%0.275CS..  trans-930.3178.6-56.1178000112.4E347 E389 S403 W404 R406E347-L391 HydrophobicContact CG-CD1 4.46Å; E389-L391 HydrophobicContact CG-CD2 4.06Å; E389-L391 PolarHBondContact O-N 3.42Å; L391-S403 VanDerWaalsContact CD1-CB 3.4Å; L391-W404 PolarHBondContact N-O 2.95Å; L391-R406 HydrophobicContact CD1-CB 4.07Å; L391-R406 HydrophobicContact CD2-CB 4.35Å; L391-R406 HydrophobicContact CG-CB 4.3Å
392V94.6Very high95Very high4 Ų444 Ų442%0.02425%0.252CS..SBendtrans-132.8156.7177.7-64.30000110.3V356 L390 V398 W404V356-V392 HydrophobicContact CG1-CG2 4.24Å; V356-V392 HydrophobicContact CG2-CB 4.06Å; V356-V392 HydrophobicContact CG2-CG2 3.96Å; L390-V392 VanDerWaalsContact C-N 3.32Å; V392-V398 HydrophobicContact CG1-CG1 3.76Å; V392-W404 HydrophobicContact CG1-CB 4.02Å; V392-W404 HydrophobicContact CG2-CB 3.74Å
393S90.5Very high95.3Very high33 Ų3344.2 Ų44.223%0.23126%0.255CS..  trans-114.6148.9172.9-70.90000111.1R247 G395 Q396R247-S393 PolarHBondContact NE-OG 2.66Å; R247-S393 PolarHBondContact NH2-OG 2.56Å; S393-G395 PolarHBondContact O-N 2.79Å; S393-Q396 WeakPolarHBondContact O-CB 3.47Å; S393-Q396 PolarHBondContact O-N 2.85Å
394P88.1Confident95.5Very high78 Ų7843.2 Ų43.251%0.50625%0.25SC..THydrogen-bonded Turntrans-50.6138.7167.2-2635.4000111.3Q396P394-Q396 VanDerWaalsContact C-N 3.28Å; P394-Q396 PolarHBondContact O-N 2.87Å
395G88.7Confident95.6Very high33 Ų3341.3 Ų41.334%0.3424%0.241SC..THydrogen-bonded Turntrans84.2-11.2-172.700000114.9V356 S393V356-G395 PolarHBondContact O-N 2.63Å; S393-G395 PolarHBondContact O-N 2.79Å
396Q91.9Very high95.7Very high80 Ų8044 Ų4437%0.37425%0.251SS..  trans-72.9132.5178-175.6177.8-17.400111.6V355 V356 S393 P394 V398V355-Q396 WeakPolarHBondContact CA-O 3.12Å; V356-Q396 PolarHBondContact N-O 3.19Å; S393-Q396 WeakPolarHBondContact O-CB 3.47Å; S393-Q396 PolarHBondContact O-N 2.85Å; P394-Q396 VanDerWaalsContact C-N 3.28Å; P394-Q396 PolarHBondContact O-N 2.87Å; Q396-V398 HydrophobicContact CG-CG1 4.28Å
397T95.2Very high95.8Very high108 Ų10844 Ų4466%0.66325%0.25SS*.EExtended strand (participates in β ladder)trans-76.6131.4168.3-600000110.1G354G354-T397 CarbonylContact O-C 3.54Å; G354-T397 WeakPolarHBondContact O-CA 3.31Å
398V96Very high95.9Very high7 Ų744.1 Ų44.14%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-129.2146.4-178-660000110.8T350 D353 G354 V356 V392 Q396 V428T350-V398 HydrophobicContact CG2-CB 4.12Å; T350-V398 HydrophobicContact CG2-CG2 3.96Å; D353-V398 WeakPolarHBondContact CA-O 3.32Å; G354-V398 PolarHBondContact N-O 2.77Å; G354-V398 PolarHBondContact O-N 3.46Å; V356-V398 HydrophobicContact CG2-CG1 3.75Å; V356-V398 HydrophobicContact CG2-CG2 4.01Å; V392-V398 HydrophobicContact CG1-CG1 3.76Å; Q396-V398 HydrophobicContact CG-CG1 4.28Å; V398-V428 HydrophobicContact CG2-CG1 4.2Å; V398-V428 HydrophobicContact CG2-CG2 4.39Å
399Q96.8Very high95.8Very high151 Ų15145.6 Ų45.671%0.70626%0.257SS*.  trans-96.1150.5170-67-179.7-12.400109.6T350 D353 G401 A402T350-Q399 PolarHBondContact OG1-O 2.81Å; D353-Q399 VanDerWaalsContact OD1-CA 3.29Å; D353-Q399 WeakPolarHBondContact OD1-CA 3.41Å; Q399-G401 PolarHBondContact O-N 3.02Å; Q399-A402 WeakPolarHBondContact O-CB 3.41Å; Q399-A402 PolarHBondContact O-N 2.82Å; Q399-A402 VanDerWaalsContact O-N 3.08Å
400K96.7Very high95.7Very high146 Ų14644.1 Ų44.164%0.63525%0.25SC*.THydrogen-bonded Turntrans-53.2131.2171.4177.4177.2179.9-1780109.9P351 D353P351-K400 WeakPolarHBondContact O-CD 3.2Å; P351-K400 WeakPolarHBondContact O-CE 3.47Å; P351-K400 WeakPolarHBondContact O-CG 3.32Å; D353-K400 PolarHBondContact OD1-N 3.4Å
401G97.1Very high95.4Very high42 Ų4249.6 Ų49.643%0.43328%0.279SS..THydrogen-bonded Turntrans89.5-5.9-178.900000114.6K349 T350 Q399K349-G401 WeakPolarHBondContact CD-O 3.17Å; T350-G401 PolarHBondContact O-N 2.95Å; T350-G401 PolarHBondContact OG1-N 3.15Å; T350-G401 VanDerWaalsContact OG1-N 3.16Å; Q399-G401 PolarHBondContact O-N 3.02Å
402A97.3Very high95.1Very high37 Ų3752.6 Ų52.631%0.30630%0.302SS..  trans-67.6144.5170.800000110.8K349 T350 Q399K349-A402 CarbonylContact C-O 3.48Å; K349-A402 WeakPolarHBondContact CA-O 3.33Å; T350-A402 PolarHBondContact N-O 2.73Å; T350-A402 PolarHBondContact OG1-N 3.32Å; T350-A402 PolarHBondContact OG1-O 3.44Å; Q399-A402 WeakPolarHBondContact O-CB 3.41Å; Q399-A402 PolarHBondContact O-N 2.82Å; Q399-A402 VanDerWaalsContact O-N 3.08Å
403S98Very high95.1Very high28 Ų2854.8 Ų54.820%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-71.4134.9174.5-490000110.7E347 L348 K349 L391E347-S403 WeakPolarHBondContact OE2-CB 3.44Å; E347-S403 PolarHBondContact OE2-OG 3.42Å; L348-S403 WeakPolarHBondContact O-CA 3.39Å; K349-S403 PolarHBondContact NZ-OG 3.31Å; L391-S403 VanDerWaalsContact CD1-CB 3.4Å
404W97.6Very high95.3Very high1 Ų153.7 Ų53.70%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-121.8-26.5176.974.6-92.8000113.5L348 T350 V359 L390 L391 V392 L422 L426L348-W404 HydrophobicContact CB-CZ2 4.25Å; L348-W404 HydrophobicContact CD1-CZ2 3.96Å; L348-W404 PolarHBondContact O-N 2.98Å; T350-W404 HydrophobicContact CG2-CB 3.91Å; T350-W404 HydrophobicContact CG2-CG 4.34Å; V359-W404 HydrophobicContact CG1-CZ3 3.97Å; V359-W404 HydrophobicContact CG2-CE3 4.35Å; V359-W404 HydrophobicContact CG2-CZ3 4.1Å; L390-W404 HydrophobicContact CD2-CE3 4.45Å; L390-W404 HydrophobicContact CD2-CZ3 4.29Å; L391-W404 PolarHBondContact N-O 2.95Å; V392-W404 HydrophobicContact CG1-CB 4.02Å; V392-W404 HydrophobicContact CG2-CB 3.74Å; W404-L422 VanDerWaalsContact CH2-O 3.27Å; W404-L422 WeakPolarHBondContact CH2-O 3.31Å; W404-L422 WeakPolarHBondContact CZ2-O 3.44Å; W404-L426 HydrophobicContact CB-CD2 4.23Å; W404-L426 HydrophobicContact CD2-CB 4.1Å; W404-L426 HydrophobicContact CD2-CD1 4.14Å; W404-L426 HydrophobicContact CD2-CD2 3.83Å; W404-L426 HydrophobicContact CD2-CG 4.23Å; W404-L426 HydrophobicContact CE3-CB 4.17Å; W404-L426 HydrophobicContact CE3-CD1 3.93Å; W404-L426 HydrophobicContact CE3-CD2 4.46Å; W404-L426 HydrophobicContact CE3-CG 4.4Å; W404-L426 HydrophobicContact CG-CD1 4.47Å; W404-L426 HydrophobicContact CG-CD2 3.69Å; W404-L426 HydrophobicContact CH2-CB 4.04Å; W404-L426 HydrophobicContact CZ2-CB 3.94Å; W404-L426 HydrophobicContact CZ3-CB 4.15Å; W404-L426 HydrophobicContact CZ3-CD1 4.47Å
405L98.4Very high95.7Very high0 Ų051.1 Ų51.10%030%0.3CS..EExtended strand (participates in β ladder)trans-135.6133.3177.7-170.773.5000109.1E347 L348 L364 A388 E389 L390 I407 L422E347-L405 CarbonylContact C-O 3.54Å; E347-L405 VanDerWaalsContact CA-O 3.29Å; E347-L405 WeakPolarHBondContact CA-O 3.4Å; L348-L405 HydrophobicContact CB-CB 4.27Å; L348-L405 HydrophobicContact CD1-CD2 4Å; L348-L405 PolarHBondContact N-O 2.68Å; L364-L405 HydrophobicContact CD1-CD1 4.08Å; L364-L405 HydrophobicContact CD1-CD2 4.03Å; L364-L405 HydrophobicContact CD2-CD1 4.48Å; A388-L405 HydrophobicContact CB-CD1 3.75Å; A388-L405 HydrophobicContact CB-CG 4.23Å; E389-L405 WeakPolarHBondContact O-CA 3.45Å; L390-L405 HydrophobicContact CD2-CD1 3.62Å; L405-I407 HydrophobicContact CD2-CD1 4.19Å; L405-I407 HydrophobicContact CD2-CG1 3.76Å; L405-I407 HydrophobicContact CG-CG1 4.12Å; L405-L422 HydrophobicContact CD2-CB 4.47Å; L405-L422 HydrophobicContact CD2-CD1 4.13Å; L405-L422 HydrophobicContact CD2-CD2 4.19Å
406R98.4Very high96.1Very high60 Ų6054.8 Ų54.823%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-108.9121.7164.8-178.8179.9-64139.2-1.8108.8Q345 E347 A388 E389 L391Q345-R406 HydrophobicContact CB-CG 4.43Å; E347-R406 HydrophobicContact CG-CB 4.25Å; E347-R406 HydrophobicContact CG-CG 4.25Å; E347-R406 IonicContact OE1-CZ 3.13Å; E347-R406 IonicContact OE1-NE 2.9Å; E347-R406 PolarHBondContact OE1-NE 3.09Å; E347-R406 VanDerWaalsContact OE1-NE 3.13Å; E347-R406 IonicContact OE1-NH2 3.4Å; E347-R406 PolarHBondContact OE1-NH2 3.26Å; A388-R406 CarbonylContact C-O 3.52Å; A388-R406 WeakPolarHBondContact CA-O 3.49Å; A388-R406 WeakPolarHBondContact CB-O 3.49Å; E389-R406 HydrophobicContact CB-CB 4.35Å; E389-R406 PolarHBondContact N-O 3.03Å; E389-R406 PolarHBondContact O-N 3.06Å; E389-R406 IonicContact OE1-NH1 2.65Å; E389-R406 IonicContact OE2-CZ 2.77Å; E389-R406 IonicContact OE2-NH1 2.63Å; E389-R406 PolarHBondContact OE2-NH1 3.31Å; L391-R406 HydrophobicContact CD1-CB 4.07Å; L391-R406 HydrophobicContact CD2-CB 4.35Å; L391-R406 HydrophobicContact CG-CB 4.3Å
407I98.1Very high96.3Very high0 Ų057.2 Ų57.20%033%0.333CS..EExtended strand (participates in β ladder)trans-100.6127.5178.7-52.1164.1000107.9Q345 L346 L348 L368 L371 L405 P414 L422Q345-I407 CarbonylContact C-O 3.58Å; Q345-I407 VanDerWaalsContact CA-O 3.23Å; Q345-I407 WeakPolarHBondContact CA-O 3.3Å; L346-I407 HydrophobicContact CD2-CD1 4.41Å; L346-I407 PolarHBondContact N-O 3.45Å; L346-I407 PolarHBondContact O-N 3.42Å; L348-I407 HydrophobicContact CD1-CD1 4.08Å; L348-I407 HydrophobicContact CD2-CD1 4.36Å; L348-I407 HydrophobicContact CG-CD1 4.03Å; L368-I407 HydrophobicContact CD2-CG2 4.41Å; L371-I407 HydrophobicContact CD1-CG2 4.04Å; L405-I407 HydrophobicContact CD2-CD1 4.19Å; L405-I407 HydrophobicContact CD2-CG1 3.76Å; L405-I407 HydrophobicContact CG-CG1 4.12Å; I407-P414 HydrophobicContact CG2-CG 4.33Å; I407-L422 HydrophobicContact CD1-CD1 3.36Å; I407-L422 HydrophobicContact CG1-CD1 4.19Å
408H98.3Very high96.4Very high3 Ų354 Ų541%0.01431%0.311CS..EExtended strand (participates in β ladder)trans-98.9120.2172.6-66.6-109.1000107.9L253 S342 Q345 V386 G387L253-H408 HydrophobicContact CD1-CB 4.48Å; S342-H408 WeakPolarHBondContact OG-CB 3.33Å; S342-H408 PolarHBondContact OG-ND1 3.47Å; Q345-H408 PolarHBondContact NE2-CE1 3.28Å; Q345-H408 PolarHBondContact NE2-ND1 3.17Å; V386-H408 WeakPolarHBondContact CA-O 3.48Å; V386-H408 WeakPolarHBondContact CG1-O 3.47Å; G387-H408 PolarHBondContact N-O 3.11Å; G387-H408 VanDerWaalsContact N-O 3.1Å; G387-H408 PolarHBondContact O-N 3.35Å
409Y97.3Very high96.4Very high32 Ų3256.2 Ų56.213%0.12532%0.322CS..EExtended strand (participates in β ladder)trans-144.4159.2-17370.9-86.5000112H344 L346 A413 P414H344-Y409 HydrophobicContact CB-CD1 4Å; H344-Y409 HydrophobicContact CB-CD2 3.92Å; H344-Y409 HydrophobicContact CB-CE1 3.52Å; H344-Y409 HydrophobicContact CB-CE2 3.43Å; H344-Y409 VanDerWaalsContact CB-CE2 3.43Å; H344-Y409 HydrophobicContact CB-CG 4.19Å; H344-Y409 AromaticContact CD2-CE2 3.82Å; H344-Y409 AromaticContact CG-CE2 3.85Å; H344-Y409 AromaticContact CG-CZ 3.98Å; H344-Y409 PolarHBondContact N-O 2.67Å; H344-Y409 PolarHBondContact O-N 3.23Å; L346-Y409 HydrophobicContact CB-CD1 4.3Å; L346-Y409 HydrophobicContact CB-CE1 3.7Å; Y409-A413 HydrophobicContact CD2-CB 4.22Å; Y409-A413 HydrophobicContact CE2-CB 3.46Å; Y409-A413 VanDerWaalsContact CE2-CB 3.46Å; Y409-P414 HydrophobicContact CD1-CG 4.31Å; Y409-P414 HydrophobicContact CG-CG 4.23Å
410E95Very high96.4Very high27 Ų2752.9 Ų52.913%0.12631%0.309CS..  trans-108.7172.7165.3-47.4-64.6-166.500109.7R340 D343 N383 S385 V386 P412R340-E410 IonicContact CZ-OE1 3.66Å; R340-E410 IonicContact NE-OE1 3.81Å; R340-E410 IonicContact NH2-OE1 3.63Å; R340-E410 PolarHBondContact NH2-OE1 2.57Å; D343-E410 WeakPolarHBondContact CB-OE2 3.32Å; D343-E410 PolarHBondContact N-OE2 3.22Å; N383-E410 WeakPolarHBondContact ND2-CG 3.37Å; N383-E410 PolarHBondContact ND2-OE1 3.08Å; S385-E410 PolarHBondContact OG-OE1 3.13Å; V386-E410 HydrophobicContact CG2-CG 4.23Å; E410-P412 CarbonylContact O-C 3.39Å; E410-P412 VanDerWaalsContact O-O 3.05Å
411D92.3Very high96.4Very high125 Ų12549.7 Ų49.767%0.66830%0.298SS*.SBendtrans-59.7137.6174.1-75-44.3000113.4H344H344-D411 IonicContact NE2-OD1 3.82Å; H344-D411 IonicContact NE2-OD2 2.94Å
412P91.6Very high96.4Very high110 Ų11047.7 Ų47.771%0.71428%0.278SS*.SBendcis-81.1153.2-1.833.8-35.1000113.1E410E410-P412 CarbonylContact O-C 3.39Å; E410-P412 VanDerWaalsContact O-O 3.05Å
413A93.8Very high96.4Very high50 Ų5048.5 Ų48.541%0.41328%0.275SS..PPolyproline II helixtrans-55.4153.2173.200000113.5Y409 G415Y409-A413 HydrophobicContact CD2-CB 4.22Å; Y409-A413 HydrophobicContact CE2-CB 3.46Å; Y409-A413 VanDerWaalsContact CE2-CB 3.46Å; A413-G415 PolarHBondContact O-N 3.35Å
414P95.1Very high96.3Very high9 Ų954.4 Ų54.46%0.05830%0.297CS..PPolyproline II helixtrans-53.9125.2175.6-24.332.6000111.4L371 I407 Y409 Q418 I419L371-P414 HydrophobicContact CD1-CB 4.43Å; L371-P414 HydrophobicContact CD1-CG 3.92Å; L371-P414 HydrophobicContact CD2-CB 4.29Å; L371-P414 HydrophobicContact CD2-CG 4.08Å; I407-P414 HydrophobicContact CG2-CG 4.33Å; Y409-P414 HydrophobicContact CD1-CG 4.31Å; Y409-P414 HydrophobicContact CG-CG 4.23Å; P414-Q418 HydrophobicContact CB-CB 4.4Å; P414-I419 HydrophobicContact CB-CG1 4.18Å; P414-I419 WeakPolarHBondContact O-CD1 3.44Å
415G96.3Very high96.2Very high25 Ų2554.5 Ų54.526%0.25830%0.298SS..PPolyproline II helixtrans-68.7164.1-179.300000112.7A413 D417 Q418 I419A413-G415 PolarHBondContact O-N 3.35Å; G415-D417 PolarHBondContact O-N 3.39Å; G415-Q418 WeakPolarHBondContact O-CB 3.48Å; G415-Q418 PolarHBondContact O-N 3Å; G415-I419 PolarHBondContact O-N 3.46Å
416P96.5Very high96.1Very high110 Ų11055.2 Ų55.271%0.71430%0.302SS*.Hα-helixtrans-53.8-38.6-179.9-27.335.2000113.9I419 N420P416-I419 PolarHBondContact O-N 3.06Å; P416-N420 WeakPolarHBondContact O-CB 3.45Å; P416-N420 PolarHBondContact O-N 3.4Å
417D96.4Very high95.9Very high131 Ų13156 Ų5670%0.70131%0.314SS*.Hα-helixtrans-66.9-40.1178.3-67.9-22.2000112.2G415 N420 L421G415-D417 PolarHBondContact O-N 3.39Å; D417-N420 PolarHBondContact O-N 3.09Å; D417-L421 WeakPolarHBondContact O-CB 3.43Å; D417-L421 VanDerWaalsContact O-CG 3.3Å; D417-L421 WeakPolarHBondContact O-CG 3.48Å; D417-L421 PolarHBondContact O-N 3.3Å
418Q97Very high95.7Very high40 Ų4057 Ų5719%0.18732%0.32CS..Hα-helixtrans-65.8-42.8176-70.5170.4-46.500110.9V367 P414 G415 N420 L421 L422V367-Q418 HydrophobicContact CG1-CB 3.95Å; V367-Q418 HydrophobicContact CG1-CG 4.22Å; P414-Q418 HydrophobicContact CB-CB 4.4Å; G415-Q418 WeakPolarHBondContact O-CB 3.48Å; G415-Q418 PolarHBondContact O-N 3Å; Q418-N420 PolarHBondContact O-N 3.31Å; Q418-L421 PolarHBondContact O-N 2.98Å; Q418-L422 WeakPolarHBondContact O-CG 3.15Å; Q418-L422 PolarHBondContact O-N 2.92Å
419I97.4Very high95.3Very high54 Ų5458 Ų5828%0.27733%0.331SS..Hα-helixtrans-62.1-43.6175.8-66.9171.2000110.8L346 L348 P414 G415 P416 L422 Q423L346-I419 HydrophobicContact CD2-CD1 3.97Å; L346-I419 HydrophobicContact CD2-CG1 4.27Å; L348-I419 HydrophobicContact CD2-CG2 3.98Å; P414-I419 HydrophobicContact CB-CG1 4.18Å; P414-I419 WeakPolarHBondContact O-CD1 3.44Å; G415-I419 PolarHBondContact O-N 3.46Å; P416-I419 PolarHBondContact O-N 3.06Å; I419-L422 PolarHBondContact O-N 3.11Å; I419-Q423 HydrophobicContact CG2-CG 4.46Å; I419-Q423 WeakPolarHBondContact O-CG 3.32Å; I419-Q423 PolarHBondContact O-N 3.43Å
420N96.8Very high94.5Very high80 Ų8065.8 Ų65.843%0.42837%0.366SS..Hα-helixtrans-63.7-44.1178.2-170.6-14.9000111.6P416 D417 Q418 L422 Q423 K424P416-N420 WeakPolarHBondContact O-CB 3.45Å; P416-N420 PolarHBondContact O-N 3.4Å; D417-N420 PolarHBondContact O-N 3.09Å; Q418-N420 PolarHBondContact O-N 3.31Å; N420-L422 PolarHBondContact O-N 2.87Å; N420-Q423 PolarHBondContact O-N 3.44Å; N420-K424 WeakPolarHBondContact O-CG 3.39Å; N420-K424 PolarHBondContact O-N 3.01Å; N420-K424 WeakPolarHBondContact OD1-CE 3.48Å
421L96.7Very high92.9Very high79 Ų7969.9 Ų69.941%0.41439%0.388SS..Hα-helixtrans-58.1-48.4173.8-75.2171000111.6V363 V367 D417 Q418 Q423 K424 A425V363-L421 HydrophobicContact CG1-CB 4.13Å; V363-L421 WeakPolarHBondContact CG1-O 3.38Å; V367-L421 HydrophobicContact CG2-CB 4.33Å; D417-L421 WeakPolarHBondContact O-CB 3.43Å; D417-L421 VanDerWaalsContact O-CG 3.3Å; D417-L421 WeakPolarHBondContact O-CG 3.48Å; D417-L421 PolarHBondContact O-N 3.3Å; Q418-L421 PolarHBondContact O-N 2.98Å; L421-Q423 PolarHBondContact O-N 2.91Å; L421-K424 PolarHBondContact O-N 3.41Å; L421-A425 PolarHBondContact O-N 3.2Å; L421-A425 VanDerWaalsContact O-N 3.11Å
422L97Very high91.1Very high0 Ų068.5 Ų68.50%038%0.381CS..Hα-helixtrans-62.4-41.4177.8-71.3175000112.3L348 L364 V367 W404 L405 I407 Q418 I419 N420 K424 A425L348-L422 HydrophobicContact CD1-CB 3.51Å; L348-L422 HydrophobicContact CD1-CD1 4.08Å; L348-L422 HydrophobicContact CD1-CG 4.46Å; L364-L422 HydrophobicContact CD1-CD2 3.7Å; V367-L422 HydrophobicContact CB-CD2 3.96Å; V367-L422 HydrophobicContact CB-CG 4.2Å; V367-L422 HydrophobicContact CG1-CD1 3.8Å; V367-L422 HydrophobicContact CG1-CD2 4.17Å; V367-L422 HydrophobicContact CG1-CG 3.96Å; V367-L422 HydrophobicContact CG2-CD2 4.1Å; V367-L422 HydrophobicContact CG2-CG 4.12Å; W404-L422 VanDerWaalsContact CH2-O 3.27Å; W404-L422 WeakPolarHBondContact CH2-O 3.31Å; W404-L422 WeakPolarHBondContact CZ2-O 3.44Å; L405-L422 HydrophobicContact CD2-CB 4.47Å; L405-L422 HydrophobicContact CD2-CD1 4.13Å; L405-L422 HydrophobicContact CD2-CD2 4.19Å; I407-L422 HydrophobicContact CD1-CD1 3.36Å; I407-L422 HydrophobicContact CG1-CD1 4.19Å; Q418-L422 WeakPolarHBondContact O-CG 3.15Å; Q418-L422 PolarHBondContact O-N 2.92Å; I419-L422 PolarHBondContact O-N 3.11Å; N420-L422 PolarHBondContact O-N 2.87Å; L422-K424 VanDerWaalsContact C-N 3.26Å; L422-K424 PolarHBondContact O-N 3.17Å; L422-A425 VanDerWaalsContact O-CB 3.22Å; L422-A425 WeakPolarHBondContact O-CB 3.23Å; L422-A425 PolarHBondContact O-N 3.04Å
423Q96.4Very high89.1Confident55 Ų5573 Ų7326%0.25738%0.384SS..Hα-helixtrans-63.3-32.8176.6-75.2-70.431.600112.8L348 K349 I419 N420 L421 A425L348-Q423 HydrophobicContact CD1-CG 4.34Å; K349-Q423 PolarHBondContact O-NE2 3.1Å; K349-Q423 PolarHBondContact O-OE1 3.4Å; I419-Q423 HydrophobicContact CG2-CG 4.46Å; I419-Q423 WeakPolarHBondContact O-CG 3.32Å; I419-Q423 PolarHBondContact O-N 3.43Å; N420-Q423 PolarHBondContact O-N 3.44Å; L421-Q423 PolarHBondContact O-N 2.91Å; Q423-A425 VanDerWaalsContact C-N 3.29Å
424K95.6Very high86.8Confident151 Ų15177 Ų7766%0.65739%0.393SS*.Hα-helixtrans-74.4-18.3173.5-71.6174.9177.4173.30113.5N420 L421 L422 L426N420-K424 WeakPolarHBondContact O-CG 3.39Å; N420-K424 PolarHBondContact O-N 3.01Å; N420-K424 WeakPolarHBondContact OD1-CE 3.48Å; L421-K424 PolarHBondContact O-N 3.41Å; L422-K424 VanDerWaalsContact C-N 3.26Å; L422-K424 PolarHBondContact O-N 3.17Å; K424-L426 VanDerWaalsContact C-N 3.27Å
425A95.9Very high84.5Confident3 Ų377.6 Ų77.63%0.02540%0.399CS..Hα-helixtrans-70.2-25.9176.400000112.1V359 D360 V363 L421 L422 Q423V359-A425 CarbonylContact C-O 3.49Å; V359-A425 WeakPolarHBondContact CA-O 3.35Å; D360-A425 HydrophobicContact CB-CB 3.98Å; D360-A425 PolarHBondContact N-O 2.77Å; V363-A425 HydrophobicContact CB-CB 4.03Å; V363-A425 HydrophobicContact CG1-CB 3.93Å; L421-A425 PolarHBondContact O-N 3.2Å; L421-A425 VanDerWaalsContact O-N 3.11Å; L422-A425 VanDerWaalsContact O-CB 3.22Å; L422-A425 WeakPolarHBondContact O-CB 3.23Å; L422-A425 PolarHBondContact O-N 3.04Å; Q423-A425 VanDerWaalsContact C-N 3.29Å
426L96.6Very high81.8Confident15 Ų1582.4 Ų82.48%0.07942%0.415CS..EExtended strand (participates in β ladder)trans-81.5123.6176.4179.771.5000110.9T350 V356 V359 W404 K424 V428T350-L426 HydrophobicContact CG2-CD2 4.05Å; V356-L426 HydrophobicContact CG1-CD1 4.07Å; V359-L426 HydrophobicContact CG2-CD1 4.02Å; W404-L426 HydrophobicContact CB-CD2 4.23Å; W404-L426 HydrophobicContact CD2-CB 4.1Å; W404-L426 HydrophobicContact CD2-CD1 4.14Å; W404-L426 HydrophobicContact CD2-CD2 3.83Å; W404-L426 HydrophobicContact CD2-CG 4.23Å; W404-L426 HydrophobicContact CE3-CB 4.17Å; W404-L426 HydrophobicContact CE3-CD1 3.93Å; W404-L426 HydrophobicContact CE3-CD2 4.46Å; W404-L426 HydrophobicContact CE3-CG 4.4Å; W404-L426 HydrophobicContact CG-CD1 4.47Å; W404-L426 HydrophobicContact CG-CD2 3.69Å; W404-L426 HydrophobicContact CH2-CB 4.04Å; W404-L426 HydrophobicContact CZ2-CB 3.94Å; W404-L426 HydrophobicContact CZ3-CB 4.15Å; W404-L426 HydrophobicContact CZ3-CD1 4.47Å; K424-L426 VanDerWaalsContact C-N 3.27Å; L426-V428 HydrophobicContact CD1-CG2 4.35Å; L426-V428 HydrophobicContact CD2-CG2 3.65Å; L426-V428 HydrophobicContact CG-CG2 3.81Å
427T94.9Very high79.2Confident77 Ų7784.2 Ų84.247%0.47241%0.414SS..EExtended strand (participates in β ladder)trans-103.5117.5169.4-56.50000110.1V357 G358V357-T427 HydrophobicContact CB-CG2 3.88Å; V357-T427 HydrophobicContact CG1-CG2 4.31Å; V357-T427 HydrophobicContact CG2-CG2 4.28Å; V357-T427 PolarHBondContact N-O 2.91Å; G358-T427 PolarHBondContact O-N 3.13Å
428V93.7Very high77.1Confident22 Ų2281.4 Ų81.413%0.13342%0.416CS..EExtended strand (participates in β ladder)trans-115126.9172.5-1770000108.7I352 V355 V398 L426I352-V428 HydrophobicContact CD1-CB 4.04Å; I352-V428 HydrophobicContact CD1-CG1 4.18Å; I352-V428 HydrophobicContact CG1-CB 3.93Å; I352-V428 HydrophobicContact CG1-CG1 3.93Å; V355-V428 WeakPolarHBondContact O-CA 3.34Å; V398-V428 HydrophobicContact CG2-CG1 4.2Å; V398-V428 HydrophobicContact CG2-CG2 4.39Å; L426-V428 HydrophobicContact CD1-CG2 4.35Å; L426-V428 HydrophobicContact CD2-CG2 3.65Å; L426-V428 HydrophobicContact CG-CG2 3.81Å
429G89.2Confident75.6Confident24 Ų2485 Ų8525%0.24743%0.429CS..EExtended strand (participates in β ladder)trans-128.4177.1-175.200000113.4V355V355-G429 PolarHBondContact N-O 3.18Å; V355-G429 PolarHBondContact O-N 2.91Å
430K80.5Confident74.9Confident195 Ų19585.3 Ų85.385%0.84843%0.433SS*.SBendtrans-76.4150.1166.2-66.8-175.6-179.3-179.60109.1N432K430-N432 PolarHBondContact O-N 3.1Å
431N61.3Low74.6Confident112 Ų11282.5 Ų82.560%0.59942%0.418SS*.  trans-49.3110.3-175.2-151.320.8000110.7V355V355-N431 HydrophobicContact CG2-CB 4.31Å
432N55.2Low74.5Confident96 Ų9679.7 Ų79.751%0.51340%0.404SS..  trans-111.4130.8-177.6-148.315000107.3K430 E434 A435K430-N432 PolarHBondContact O-N 3.1Å; N432-E434 PolarHBondContact O-N 3.41Å; N432-A435 WeakPolarHBondContact O-CB 2.95Å; N432-A435 PolarHBondContact O-N 3.5Å
433R48.8Very low74.4Confident206 Ų20681.6 Ų81.678%0.77742%0.42SS*.G310 helixtrans-58.2-19.4-176.1-75.3-178.4175.1-179.3-1.6114A435 E436R433-A435 VanDerWaalsContact C-N 3.33Å; R433-E436 PolarHBondContact O-N 3.09Å
434E45.8Very low74.4Confident132 Ų13281.7 Ų81.762%0.61742%0.42SS*.G310 helixtrans-70.5-25.2172.6-69.3-178.516100113.2N432 E436N432-E434 PolarHBondContact O-N 3.41Å; E434-E436 VanDerWaalsContact C-N 3.32Å
435A45.7Very low74.5Confident22 Ų2277 Ų7718%0.18240%0.404CS..G310 helixtrans-79.2-13.817400000113.1N432 R433N432-A435 WeakPolarHBondContact O-CB 2.95Å; N432-A435 PolarHBondContact O-N 3.5Å; R433-A435 VanDerWaalsContact C-N 3.33Å
436E39.5Very low74.5Confident126 Ų12678.2 Ų78.259%0.58941%0.41SS*.THydrogen-bonded Turntrans-83.7-21.3178.5-70179.5159.100113R433 E434R433-E436 PolarHBondContact O-N 3.09Å; E434-E436 VanDerWaalsContact C-N 3.32Å
437H42.5Very low74Confident149 Ų14980.8 Ų80.869%0.6942%0.421SS*.SBendtrans-97.7105.8173-69.769.9000107.5Y439H437-Y439 PolarHBondContact O-N 2.84Å
438G53Low72.9Confident72 Ų7278.1 Ų78.174%0.74241%0.406SS*.  trans-40123.7-176.600000112.2T440G438-T440 VanDerWaalsContact C-N 3.34Å; G438-T440 PolarHBondContact O-N 2.87Å
439Y64.8Low71.1Confident116 Ų11685.5 Ų85.546%0.45544%0.439SS..  trans-63.295.9176.8-86.6-91.5000108.6H437 L441H437-Y439 PolarHBondContact O-N 2.84Å; Y439-L441 PolarHBondContact O-N 3.3Å
440T83.1Confident69.1Low60 Ų6091.4 Ų91.437%0.36845%0.453SS..  trans-63131.5168.6175.60000108.7E272 G438 V442E272-T440 VanDerWaalsContact CD-OG1 3.24Å; E272-T440 WeakPolarHBondContact OE1-CB 3.38Å; E272-T440 PolarHBondContact OE1-OG1 3.25Å; E272-T440 WeakPolarHBondContact OE2-CA 3.49Å; E272-T440 PolarHBondContact OE2-OG1 2.72Å; G438-T440 VanDerWaalsContact C-N 3.34Å; G438-T440 PolarHBondContact O-N 2.87Å; T440-V442 VanDerWaalsContact C-N 3.25Å; T440-V442 PolarHBondContact OG1-N 2.99Å; T440-V442 PolarHBondContact OG1-O 3.24Å
441L90.6Very high67.1Low21 Ų2189.1 Ų89.111%0.1145%0.451CS..SBendtrans-72.1-27173.2-75.2-177000110.8S239 R240 I245 D269 E272 L273 Y439 A443S239-L441 CarbonylContact C-O 3.36Å; S239-L441 WeakPolarHBondContact CA-O 3.33Å; S239-L441 VanDerWaalsContact CB-O 3.29Å; S239-L441 WeakPolarHBondContact CB-O 3.23Å; R240-L441 HydrophobicContact CB-CD2 4.25Å; R240-L441 PolarHBondContact N-O 3.42Å; I245-L441 HydrophobicContact CG1-CD1 3.98Å; I245-L441 HydrophobicContact CG2-CD1 4.28Å; D269-L441 HydrophobicContact CB-CD1 3.61Å; D269-L441 HydrophobicContact CB-CG 3.98Å; E272-L441 PolarHBondContact OE2-N 3.18Å; L273-L441 HydrophobicContact CD1-CB 4.24Å; L273-L441 HydrophobicContact CD1-CD1 3.56Å; L273-L441 HydrophobicContact CD2-CB 4.26Å; L273-L441 HydrophobicContact CG-CB 4.08Å; L273-L441 HydrophobicContact CG-CD1 4.01Å; Y439-L441 PolarHBondContact O-N 3.3Å; L441-A443 PolarHBondContact O-N 3.07Å
442V95.1Very high65.6Low19 Ų1990.2 Ų90.212%0.11546%0.461CS..EExtended strand (participates in β ladder)trans-87.4109.2-177.7177.20000109.9V237 E272 L273 T276 T440 V445V237-V442 HydrophobicContact CG1-CB 4.47Å; V237-V442 HydrophobicContact CG1-CG1 3.92Å; V237-V442 HydrophobicContact CG1-CG2 4.07Å; E272-V442 HydrophobicContact CG-CG2 4.28Å; L273-V442 HydrophobicContact CD2-CG2 3.7Å; T276-V442 HydrophobicContact CG2-CG1 4.3Å; T276-V442 HydrophobicContact CG2-CG2 4.14Å; T440-V442 VanDerWaalsContact C-N 3.25Å; T440-V442 PolarHBondContact OG1-N 2.99Å; T440-V442 PolarHBondContact OG1-O 3.24Å; V442-V445 HydrophobicContact CG1-CG2 3.95Å
443A95.3Very high64.3Low41 Ų4190 Ų9034%0.33947%0.467SS..EExtended strand (participates in β ladder)trans-86.5-45.9176.800000112.1F204 L213 L238 L441F204-A443 HydrophobicContact CE1-CB 3.54Å; F204-A443 HydrophobicContact CZ-CB 3.6Å; L213-A443 HydrophobicContact CD1-CB 4.39Å; L238-A443 PolarHBondContact O-N 3.22Å; L441-A443 PolarHBondContact O-N 3.07Å
444E96Very high63.5Low57 Ų5791.8 Ų91.827%0.26649%0.492SS..EExtended strand (participates in β ladder)trans-144.6146.9-179.6-63.2-172.5-167.700111K217 V237 L238K217-E444 IonicContact NZ-OE1 2.77Å; K217-E444 IonicContact NZ-OE2 2.74Å; K217-E444 PolarHBondContact NZ-OE2 3.19Å; V237-E444 WeakPolarHBondContact CA-O 3.39Å; L238-E444 HydrophobicContact CB-CB 4.2Å; L238-E444 HydrophobicContact CD1-CB 4.1Å; L238-E444 HydrophobicContact CG-CB 4.28Å; L238-E444 PolarHBondContact N-O 3.07Å; L238-E444 PolarHBondContact O-N 3.34Å
445V96.4Very high64.3Low53 Ų5389.8 Ų89.832%0.32149%0.486SS..EExtended strand (participates in β ladder)trans-112.7123.2169.5175.50000108.3V237 T276 M280 V442 Q447V237-V445 HydrophobicContact CG2-CG2 4.43Å; T276-V445 HydrophobicContact CG2-CG2 4.04Å; M280-V445 HydrophobicContact CE-CG1 3.65Å; M280-V445 HydrophobicContact CG-CG1 4.23Å; M280-V445 HydrophobicContact SD-CG1 3.53Å; M280-V445 VanDerWaalsContact SD-CG1 3.53Å; V442-V445 HydrophobicContact CG1-CG2 3.95Å; V445-Q447 HydrophobicContact CG1-CG 4.23Å
446L95.8Very high65.3Low27 Ų2793.3 Ų93.314%0.14150%0.502CS..EExtended strand (participates in β ladder)trans-110.2117.9179.1-52.5178.9000108.6K217 A220 M224 G235 A236 L238K217-L446 HydrophobicContact CG-CD1 4.36Å; A220-L446 HydrophobicContact CB-CD1 3.84Å; M224-L446 HydrophobicContact CE-CB 4.29Å; M224-L446 HydrophobicContact SD-CB 3.78Å; M224-L446 HydrophobicContact SD-CD1 4.49Å; G235-L446 CarbonylContact C-O 3.42Å; G235-L446 WeakPolarHBondContact CA-O 3.34Å; A236-L446 HydrophobicContact CB-CB 4.29Å; A236-L446 HydrophobicContact CB-CD1 4.46Å; A236-L446 PolarHBondContact N-O 3.09Å; A236-L446 PolarHBondContact O-N 2.8Å; L238-L446 HydrophobicContact CD1-CD1 4.28Å; L238-L446 HydrophobicContact CD2-CD1 4.35Å; L238-L446 HydrophobicContact CG-CD1 4.21Å
447Q86.8Confident66.8Low69 Ų6991.5 Ų91.532%0.32250%0.497SS..  trans-112.2144.5175.4-70.6-171.5-7.600110.3M280 E283 V445 H449M280-Q447 HydrophobicContact CE-CG 3.96Å; E283-Q447 PolarHBondContact OE2-NE2 2.62Å; V445-Q447 HydrophobicContact CG1-CG 4.23Å; Q447-H449 PolarHBondContact O-N 3.28Å
448S71.1Confident68.2Low22 Ų2288.1 Ų88.115%0.15449%0.486CS..  trans-63.6119.8161.330.80000107.8T234 R450T234-S448 WeakPolarHBondContact O-CB 3.32Å; T234-S448 PolarHBondContact O-OG 3.47Å; S448-R450 PolarHBondContact O-N 3.2Å
449H56.3Low69.1Low176 Ų17689.1 Ų89.182%0.81547%0.47SS*.  trans-53.7134.7172.5-68.8-63.8000108.4Q447 D451Q447-H449 PolarHBondContact O-N 3.28Å; H449-D451 PolarHBondContact O-N 2.9Å
450R48.6Very low69.4Low148 Ų14887.3 Ų87.356%0.55847%0.471SS*.  trans-59.3113.4162.3-79-177.1178.4171.81.8105.1N286 S448 T452N286-R450 PolarHBondContact OD1-NH2 3.46Å; N286-R450 VanDerWaalsContact OD1-NH2 3.1Å; S448-R450 PolarHBondContact O-N 3.2Å; R450-T452 HydrophobicContact CB-CG2 4.41Å; R450-T452 PolarHBondContact O-N 2.86Å
451D37.4Very low68.5Low147 Ų14789.3 Ų89.379%0.78648%0.478SS*.  trans-56.899.6156-83.3-26.6000105.6H449 S453H449-D451 PolarHBondContact O-N 2.9Å; D451-S453 PolarHBondContact O-N 3.42Å
452T30.5Very low66.8Low135 Ų13594.5 Ų94.583%0.82851%0.507SS*.  trans-79.559.9168.138.30000106.3R450R450-T452 HydrophobicContact CB-CG2 4.41Å; R450-T452 PolarHBondContact O-N 2.86Å
453S28.4Very low64.4Low91 Ų91100.8 Ų100.864%0.63654%0.539SS*.  trans-110.690.5172.153.70000108.2D451D451-S453 PolarHBondContact O-N 3.42Å
454N30.3Very low61.6Low244 Ų244106.3 Ų106.3100%1.30556%0.558SS**  trans43.60159.2-72.6-16.6000119.8

Retrieved 454 of 454 residues in 800.2 ms (Link to these results)

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