A0A087XF95_POEFO Loading...

Hemoglobin alpha embryonic-4

AlphaFold DB , UniProt , Accession A0A087XF95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 141 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
1M81.8Confident95Very high232 Ų23296.7 Ų96.7100%1.14345%0.453SS*.  0145.50-76.8-147.8-87.100109.8
2L93.5Very high95.2Very high24 Ų2496.5 Ų96.513%0.12645%0.452CS..  trans-82.1131.4177.4-75.2160.9000111.3E6 K7 I10 I73 K127 F128L2-E6 HydrophobicContact CD2-CB 3.74Å; L2-E6 HydrophobicContact CD2-CG 4.41Å; L2-K7 HydrophobicContact CB-CG 3.98Å; L2-K7 WeakPolarHBondContact O-CE 3.33Å; L2-I10 HydrophobicContact CD1-CD1 3.96Å; L2-I10 HydrophobicContact CD2-CD1 3.72Å; L2-I10 HydrophobicContact CG-CD1 4.48Å; L2-I73 HydrophobicContact CD1-CD1 3.83Å; L2-I73 HydrophobicContact CD1-CG2 4.12Å; L2-K127 HydrophobicContact CD2-CB 3.73Å; L2-K127 HydrophobicContact CD2-CD 4.11Å; L2-K127 HydrophobicContact CG-CB 4.2Å; L2-F128 HydrophobicContact CD1-CB 3.96Å; L2-F128 HydrophobicContact CD1-CD2 4.49Å
3S95.8Very high95.4Very high56 Ų5689.8 Ų89.839%0.39242%0.421SS..  trans-70.9163.417368.70000112K5 E6 K7S3-K5 VanDerWaalsContact C-N 3.26Å; S3-K5 PolarHBondContact O-N 3.24Å; S3-E6 VanDerWaalsContact CB-OE2 3.32Å; S3-E6 WeakPolarHBondContact CB-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 3.19Å; S3-E6 PolarHBondContact O-N 3.09Å; S3-E6 VanDerWaalsContact OG-CG 3.28Å; S3-E6 WeakPolarHBondContact OG-CG 3.5Å; S3-E6 PolarHBondContact OG-N 3.18Å; S3-E6 PolarHBondContact OG-OE2 2.97Å; S3-K7 WeakPolarHBondContact O-CG 3.44Å; S3-K7 PolarHBondContact O-N 3.11Å
4K95.4Very high95.6Very high191 Ų19183.6 Ų83.683%0.8339%0.391SS*.Hα-helixtrans-57.4-38.6175.9-67.5-177.2179.7179.90112.5K8K4-K8 PolarHBondContact O-N 2.87Å; K4-K8 VanDerWaalsContact O-N 3.12Å
5K96.1Very high95.6Very high184 Ų18485.1 Ų85.180%0.840%0.399SS*.Hα-helixtrans-66.6-45.8178.3-69.5-176.7178.4-179.30111.5S3 K8 L9S3-K5 VanDerWaalsContact C-N 3.26Å; S3-K5 PolarHBondContact O-N 3.24Å; K5-K8 PolarHBondContact O-N 2.97Å; K5-L9 WeakPolarHBondContact O-CB 3.46Å; K5-L9 PolarHBondContact O-N 3.31Å
6E97.1Very high95.6Very high24 Ų2487.6 Ų87.611%0.11240%0.403CS..Hα-helixtrans-61.8-44.8176.6-71.2165.6131.600111.3L2 S3 K8 L9 I10 A124 K127L2-E6 HydrophobicContact CD2-CB 3.74Å; L2-E6 HydrophobicContact CD2-CG 4.41Å; S3-E6 VanDerWaalsContact CB-OE2 3.32Å; S3-E6 WeakPolarHBondContact CB-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 3.19Å; S3-E6 PolarHBondContact O-N 3.09Å; S3-E6 VanDerWaalsContact OG-CG 3.28Å; S3-E6 WeakPolarHBondContact OG-CG 3.5Å; S3-E6 PolarHBondContact OG-N 3.18Å; S3-E6 PolarHBondContact OG-OE2 2.97Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.46Å; E6-L9 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-CD1 3.28Å; E6-I10 WeakPolarHBondContact O-CD1 3.25Å; E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.97Å; E6-A124 HydrophobicContact CB-CB 3.91Å; E6-A124 HydrophobicContact CG-CB 3.83Å; E6-K127 IonicContact OE1-NZ 2.72Å; E6-K127 PolarHBondContact OE1-NZ 2.86Å
7K96.7Very high95.7Very high85 Ų8583 Ų8337%0.3738%0.382SS..Hα-helixtrans-57.1-45.6176.8-69179.7-179.5-172.30112.2L2 S3 K11 I73L2-K7 HydrophobicContact CB-CG 3.98Å; L2-K7 WeakPolarHBondContact O-CE 3.33Å; S3-K7 WeakPolarHBondContact O-CG 3.44Å; S3-K7 PolarHBondContact O-N 3.11Å; K7-K11 PolarHBondContact O-N 3.13Å; K7-K11 VanDerWaalsContact O-N 3.13Å; K7-I73 HydrophobicContact CB-CD1 4.3Å; K7-I73 HydrophobicContact CG-CD1 3.87Å
8K96.7Very high95.8Very high134 Ų13481.3 Ų81.358%0.58338%0.379SS*.Hα-helixtrans-61.4-48.7177.1-178.2177.5172.6-179.70111.3K4 K5 E6 I10 K11 E12K4-K8 PolarHBondContact O-N 2.87Å; K4-K8 VanDerWaalsContact O-N 3.12Å; K5-K8 PolarHBondContact O-N 2.97Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.46Å; K8-I10 PolarHBondContact O-N 3.03Å; K8-K11 PolarHBondContact O-N 3Å; K8-E12 WeakPolarHBondContact CE-OE1 3.47Å; K8-E12 HydrophobicContact CG-CG 4.5Å; K8-E12 IonicContact NZ-OE1 2.67Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 2.89Å
9L97.4Very high95.9Very high49 Ų4982.9 Ų82.926%0.25740%0.397SS..Hα-helixtrans-58.3-46.4179176.963.2000112.3K5 E6 K11 E12 I13 V120 A121 A124K5-L9 WeakPolarHBondContact O-CB 3.46Å; K5-L9 PolarHBondContact O-N 3.31Å; E6-L9 PolarHBondContact O-N 2.93Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.72Å; L9-E12 PolarHBondContact O-N 2.73Å; L9-I13 HydrophobicContact CD1-CD1 3.94Å; L9-I13 HydrophobicContact CD1-CG1 4.28Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.47Å; L9-V120 HydrophobicContact CD2-CG1 4.3Å; L9-A121 HydrophobicContact CD2-CB 4.13Å; L9-A124 HydrophobicContact CD2-CB 4.42Å
10I97.9Very high96.1Very high1 Ų181.4 Ų81.41%0.00539%0.393CS..Hα-helixtrans-60.7-45.4179.3-67.5155.5000110.5L2 E6 K8 I13 W14 A70 I73 A124 M125 F128L2-I10 HydrophobicContact CD1-CD1 3.96Å; L2-I10 HydrophobicContact CD2-CD1 3.72Å; L2-I10 HydrophobicContact CG-CD1 4.48Å; E6-I10 VanDerWaalsContact O-CD1 3.28Å; E6-I10 WeakPolarHBondContact O-CD1 3.25Å; E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.97Å; K8-I10 PolarHBondContact O-N 3.03Å; I10-I13 PolarHBondContact O-N 3.25Å; I10-W14 PolarHBondContact O-N 3.37Å; I10-A70 HydrophobicContact CG2-CB 3.83Å; I10-I73 HydrophobicContact CD1-CD1 4.33Å; I10-A124 HydrophobicContact CD1-CB 4.11Å; I10-A124 HydrophobicContact CG1-CB 4.04Å; I10-M125 HydrophobicContact CG2-CE 4.44Å; I10-M125 HydrophobicContact CG2-SD 4.49Å; I10-F128 HydrophobicContact CD1-CB 3.75Å; I10-F128 HydrophobicContact CD1-CG 4.31Å; I10-F128 HydrophobicContact CG1-CB 4.47Å; I10-F128 HydrophobicContact CG2-CB 4.46Å; I10-F128 HydrophobicContact CG2-CD1 3.71Å; I10-F128 HydrophobicContact CG2-CE1 4.03Å; I10-F128 HydrophobicContact CG2-CG 3.98Å
11K97.2Very high96.2Very high84 Ų8477.6 Ų77.637%0.36538%0.375SS..Hα-helixtrans-59.9-49177.7-179.4177.7171.2176.90111.6K7 K8 L9 I13 W14 E15K7-K11 PolarHBondContact O-N 3.13Å; K7-K11 VanDerWaalsContact O-N 3.13Å; K8-K11 PolarHBondContact O-N 3Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.72Å; K11-I13 VanDerWaalsContact C-N 3.35Å; K11-I13 PolarHBondContact O-N 3.41Å; K11-W14 PolarHBondContact O-N 2.85Å; K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 HydrophobicContact CG-CG 4.42Å; K11-E15 IonicContact NZ-OE1 3.87Å; K11-E15 WeakPolarHBondContact O-CG 3.44Å; K11-E15 PolarHBondContact O-N 3.23Å
12E96.9Very high97Very high94 Ų9467.5 Ų67.544%0.43933%0.328SS..Hα-helixtrans-61.4-40.7179.5-72171.9166.700112.3K8 L9 R16K8-E12 WeakPolarHBondContact CE-OE1 3.47Å; K8-E12 HydrophobicContact CG-CG 4.5Å; K8-E12 IonicContact NZ-OE1 2.67Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 2.89Å; L9-E12 PolarHBondContact O-N 2.73Å; E12-R16 PolarHBondContact O-N 3.47Å
13I97.7Very high97.2Very high10 Ų1070.5 Ų70.55%0.05135%0.345CS..Hα-helixtrans-60.6-50.5175-71.5169.7000110.2L9 I10 K11 R16 L17 L113 A121 M125L9-I13 HydrophobicContact CD1-CD1 3.94Å; L9-I13 HydrophobicContact CD1-CG1 4.28Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.47Å; I10-I13 PolarHBondContact O-N 3.25Å; K11-I13 VanDerWaalsContact C-N 3.35Å; K11-I13 PolarHBondContact O-N 3.41Å; I13-R16 PolarHBondContact O-N 2.94Å; I13-L17 HydrophobicContact CG2-CD1 3.65Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 VanDerWaalsContact O-CG 3.28Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 3.48Å; I13-L113 HydrophobicContact CG2-CD1 4.15Å; I13-A121 HydrophobicContact CD1-CB 4.17Å; I13-M125 HydrophobicContact CB-CE 4.32Å; I13-M125 HydrophobicContact CD1-CE 4.36Å; I13-M125 HydrophobicContact CG2-CE 3.83Å
14W97.8Very high97.3Very high2 Ų267.8 Ų67.81%0.00833%0.326CS..Hα-helixtrans-69.9-34.2-176.8-74.6119.4000113.9I10 K11 R16 L17 T18 V63 I66 A67 A70 M105 L109 M125 F128I10-W14 PolarHBondContact O-N 3.37Å; K11-W14 PolarHBondContact O-N 2.85Å; W14-R16 VanDerWaalsContact C-N 3.28Å; W14-R16 PolarHBondContact O-N 3.42Å; W14-L17 HydrophobicContact CE3-CB 4.27Å; W14-L17 HydrophobicContact CE3-CD1 4.49Å; W14-L17 HydrophobicContact CZ3-CD1 4.43Å; W14-L17 PolarHBondContact O-N 2.88Å; W14-T18 PolarHBondContact O-N 3.29Å; W14-T18 PolarHBondContact O-OG1 2.94Å; W14-V63 HydrophobicContact CE3-CG1 4.09Å; W14-V63 HydrophobicContact CZ3-CG1 3.67Å; W14-I66 HydrophobicContact CD2-CG2 4.25Å; W14-I66 HydrophobicContact CH2-CG2 4.04Å; W14-I66 HydrophobicContact CZ2-CG2 3.42Å; W14-I66 VanDerWaalsContact CZ2-CG2 3.42Å; W14-A67 HydrophobicContact CB-CB 3.91Å; W14-A67 HydrophobicContact CG-CB 4.32Å; W14-A70 HydrophobicContact CB-CB 4.4Å; W14-A70 HydrophobicContact CG-CB 4.23Å; W14-M105 HydrophobicContact CH2-CG 4.26Å; W14-M105 HydrophobicContact CH2-SD 4.05Å; W14-L109 HydrophobicContact CH2-CD1 4.01Å; W14-L109 HydrophobicContact CH2-CD2 3.98Å; W14-L109 HydrophobicContact CH2-CG 4.44Å; W14-L109 HydrophobicContact CZ2-CD1 3.99Å; W14-L109 HydrophobicContact CZ3-CD2 4.26Å; W14-M125 HydrophobicContact CZ2-CE 4.05Å; W14-M125 HydrophobicContact CZ2-SD 3.67Å; W14-M125 PolarHBondContact NE1-SD 2.74Å; W14-F128 AromaticContact NE1-CD1 3.96Å; W14-F128 AromaticContact NE1-CE1 3.56Å
15E96.1Very high97.5Very high107 Ų10758.8 Ų58.850%0.529%0.287SS..Hα-helixtrans-57.9-43.4172.1-77174.8170.500111K11K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 HydrophobicContact CG-CG 4.42Å; K11-E15 IonicContact NZ-OE1 3.87Å; K11-E15 WeakPolarHBondContact O-CG 3.44Å; K11-E15 PolarHBondContact O-N 3.23Å
16R96.5Very high97.6Very high125 Ų12550.8 Ų50.847%0.47225%0.254SS..Hα-helixtrans-70.7-33177.4-177.217158.6123.2-11.7113.8E12 I13 W14 P19 E116E12-R16 PolarHBondContact O-N 3.47Å; I13-R16 PolarHBondContact O-N 2.94Å; W14-R16 VanDerWaalsContact C-N 3.28Å; W14-R16 PolarHBondContact O-N 3.42Å; R16-P19 VanDerWaalsContact O-CD 3.29Å; R16-P19 WeakPolarHBondContact O-CD 3.35Å; R16-E116 IonicContact CZ-OE2 3.87Å; R16-E116 IonicContact NH1-OE2 2.83Å; R16-E116 PolarHBondContact NH1-OE2 2.99Å; R16-E116 IonicContact NH2-OE2 3.74Å; R16-E116 PolarHBondContact NH2-OE2 3.26Å
17L97.3Very high97.7Very high9 Ų951.6 Ų51.65%0.04726%0.259CS..Hα-helixtrans-88-13.9-176.2-66.1-177.2000114I13 W14 P19 V20 A21 I24 L109 L113I13-L17 HydrophobicContact CG2-CD1 3.65Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 VanDerWaalsContact O-CG 3.28Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 3.48Å; W14-L17 HydrophobicContact CE3-CB 4.27Å; W14-L17 HydrophobicContact CE3-CD1 4.49Å; W14-L17 HydrophobicContact CZ3-CD1 4.43Å; W14-L17 PolarHBondContact O-N 2.88Å; L17-P19 VanDerWaalsContact C-CD 3.43Å; L17-V20 HydrophobicContact CD2-CG2 4.44Å; L17-V20 CarbonylContact O-C 3.55Å; L17-V20 WeakPolarHBondContact O-CG2 3.32Å; L17-V20 PolarHBondContact O-N 2.99Å; L17-V20 VanDerWaalsContact O-N 3.08Å; L17-A21 PolarHBondContact O-N 3.18Å; L17-I24 HydrophobicContact CB-CD1 3.71Å; L17-I24 HydrophobicContact CD1-CD1 3.98Å; L17-I24 HydrophobicContact CD2-CD1 3.97Å; L17-I24 HydrophobicContact CG-CD1 4.08Å; L17-L109 HydrophobicContact CD1-CD2 3.32Å; L17-L113 HydrophobicContact CD1-CD1 4.43Å; L17-L113 HydrophobicContact CD1-CD2 4.48Å; L17-L113 HydrophobicContact CD2-CD2 4.06Å
18T97.2Very high97.8Very high52 Ų5247.5 Ų47.532%0.31924%0.242SC..G310 helixtrans-53.8-40.1178.4-66.80000114.3W14 V20 A21 L64W14-T18 PolarHBondContact O-N 3.29Å; W14-T18 PolarHBondContact O-OG1 2.94Å; T18-V20 PolarHBondContact O-N 3.26Å; T18-A21 WeakPolarHBondContact O-CB 3.28Å; T18-A21 PolarHBondContact O-N 2.75Å; T18-L64 HydrophobicContact CG2-CD2 3.73Å
19P98.1Very high97.9Very high112 Ų11241.2 Ų41.273%0.72721%0.214SC*.G310 helixtrans-59.7-28.7176.7-26.236.9000114.7R16 L17R16-P19 VanDerWaalsContact O-CD 3.29Å; R16-P19 WeakPolarHBondContact O-CD 3.35Å; L17-P19 VanDerWaalsContact C-CD 3.43Å
20V98.1Very high98Very high53 Ų5341.2 Ų41.232%0.32121%0.214SC..G310 helixtrans-109.722.3-179.9-64.80000112.3L17 T18 A22 D23 I24L17-V20 HydrophobicContact CD2-CG2 4.44Å; L17-V20 CarbonylContact O-C 3.55Å; L17-V20 WeakPolarHBondContact O-CG2 3.32Å; L17-V20 PolarHBondContact O-N 2.99Å; L17-V20 VanDerWaalsContact O-N 3.08Å; T18-V20 PolarHBondContact O-N 3.26Å; V20-A22 PolarHBondContact O-N 3.22Å; V20-A22 VanDerWaalsContact O-N 3.17Å; V20-D23 PolarHBondContact O-N 2.68Å; V20-D23 VanDerWaalsContact O-N 3.11Å; V20-I24 HydrophobicContact CG2-CD1 3.8Å; V20-I24 HydrophobicContact CG2-CG1 4.32Å; V20-I24 PolarHBondContact O-N 2.93Å; V20-I24 VanDerWaalsContact O-N 3.17Å
21A98.5Very high98Very high1 Ų144.7 Ų44.71%0.00823%0.227CC..Hα-helixtrans-57.2-33.3-175.800000113.9L17 T18 G25 K60 V63 L64L17-A21 PolarHBondContact O-N 3.18Å; T18-A21 WeakPolarHBondContact O-CB 3.28Å; T18-A21 PolarHBondContact O-N 2.75Å; A21-G25 PolarHBondContact O-N 3.49Å; A21-K60 HydrophobicContact CB-CG 4.16Å; A21-V63 HydrophobicContact CB-CB 3.86Å; A21-V63 HydrophobicContact CB-CG1 3.54Å; A21-V63 WeakPolarHBondContact O-CG2 3.35Å; A21-L64 HydrophobicContact CB-CD2 4.35Å
22A98.6Very high98.1Very high20 Ų2041.1 Ų41.117%0.16521%0.212CC..Hα-helixtrans-65.9-42.4178.700000111.7V20 S26 K60V20-A22 PolarHBondContact O-N 3.22Å; V20-A22 VanDerWaalsContact O-N 3.17Å; A22-S26 VanDerWaalsContact O-CB 3.28Å; A22-S26 WeakPolarHBondContact O-CB 3.35Å; A22-S26 PolarHBondContact O-N 3.39Å; A22-S26 PolarHBondContact O-OG 2.9Å; A22-K60 HydrophobicContact CB-CB 3.99Å; A22-K60 HydrophobicContact CB-CD 4.41Å; A22-K60 HydrophobicContact CB-CG 4.49Å
23D98.5Very high98.2Very high87 Ų8737 Ų3747%0.46519%0.193SC..Hα-helixtrans-72-44.1-177-52.5-35.9000110.7V20 S26 D27 Y112V20-D23 PolarHBondContact O-N 2.68Å; V20-D23 VanDerWaalsContact O-N 3.11Å; D23-S26 PolarHBondContact O-N 2.8Å; D23-D27 WeakPolarHBondContact O-CB 3.3Å; D23-D27 PolarHBondContact O-N 3.37Å; D23-Y112 WeakPolarHBondContact CB-OH 3.47Å
24I98.7Very high98.2Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-60.1-49.7175.4-67.4172000110.8L17 V20 S26 D27 A28 V63 M105 T108 L109 Y112L17-I24 HydrophobicContact CB-CD1 3.71Å; L17-I24 HydrophobicContact CD1-CD1 3.98Å; L17-I24 HydrophobicContact CD2-CD1 3.97Å; L17-I24 HydrophobicContact CG-CD1 4.08Å; V20-I24 HydrophobicContact CG2-CD1 3.8Å; V20-I24 HydrophobicContact CG2-CG1 4.32Å; V20-I24 PolarHBondContact O-N 2.93Å; V20-I24 VanDerWaalsContact O-N 3.17Å; I24-S26 PolarHBondContact O-N 2.83Å; I24-D27 PolarHBondContact O-N 2.87Å; I24-A28 WeakPolarHBondContact O-CB 3.24Å; I24-A28 PolarHBondContact O-N 2.91Å; I24-V63 HydrophobicContact CB-CG2 4.25Å; I24-V63 HydrophobicContact CG2-CG2 3.91Å; I24-M105 HydrophobicContact CG2-CE 4.44Å; I24-M105 HydrophobicContact CG2-SD 3.58Å; I24-M105 VanDerWaalsContact CG2-SD 3.58Å; I24-T108 HydrophobicContact CB-CG2 4.39Å; I24-T108 HydrophobicContact CG2-CG2 3.95Å; I24-L109 HydrophobicContact CG2-CD2 4.49Å; I24-Y112 HydrophobicContact CG1-CD1 4.09Å; I24-Y112 HydrophobicContact CG1-CD2 4.29Å; I24-Y112 HydrophobicContact CG1-CE1 4Å; I24-Y112 HydrophobicContact CG1-CE2 4.2Å; I24-Y112 HydrophobicContact CG1-CG 4.23Å
25G98.8Very high98.2Very high1 Ų143.6 Ų43.61%0.0125%0.245CC..Hα-helixtrans-65.6-39.6-177.400000112.6A21 L29A21-G25 PolarHBondContact O-N 3.49Å; G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.44Å
26S98.6Very high98.3Very high16 Ų1642.3 Ų42.311%0.11224%0.236CC..Hα-helixtrans-65.9-45.7176.4-57.30000111.6A22 D23 I24 A28 L29 L30 S56A22-S26 VanDerWaalsContact O-CB 3.28Å; A22-S26 WeakPolarHBondContact O-CB 3.35Å; A22-S26 PolarHBondContact O-N 3.39Å; A22-S26 PolarHBondContact O-OG 2.9Å; D23-S26 PolarHBondContact O-N 2.8Å; I24-S26 PolarHBondContact O-N 2.83Å; S26-A28 PolarHBondContact O-N 3.46Å; S26-L29 PolarHBondContact O-N 3.11Å; S26-L30 WeakPolarHBondContact O-CB 3.49Å; S26-L30 VanDerWaalsContact O-CG 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.32Å; S26-L30 PolarHBondContact O-N 3.22Å; S26-S56 VanDerWaalsContact OG-CA 3.28Å; S26-S56 WeakPolarHBondContact OG-CA 3.37Å
27D98.8Very high98.4Very high41 Ų4140.1 Ų40.122%0.21924%0.238CC..Hα-helixtrans-63.5-42.3179.1-170.843.3000111.1D23 I24 L29 L30 R31 T108D23-D27 WeakPolarHBondContact O-CB 3.3Å; D23-D27 PolarHBondContact O-N 3.37Å; I24-D27 PolarHBondContact O-N 2.87Å; D27-L29 PolarHBondContact O-N 3.08Å; D27-L30 PolarHBondContact O-N 3.21Å; D27-R31 WeakPolarHBondContact O-CB 3.36Å; D27-R31 VanDerWaalsContact O-CG 3.24Å; D27-R31 WeakPolarHBondContact O-CG 3.32Å; D27-R31 PolarHBondContact O-N 3.3Å; D27-R31 IonicContact OD1-CZ 2.73Å; D27-R31 IonicContact OD1-NE 3.33Å; D27-R31 PolarHBondContact OD1-NE 3.35Å; D27-R31 IonicContact OD1-NH2 2.68Å; D27-R31 IonicContact OD2-CZ 3.14Å; D27-R31 IonicContact OD2-NE 3.77Å; D27-R31 PolarHBondContact OD2-NE 3.4Å; D27-R31 IonicContact OD2-NH2 3.99Å; D27-R31 PolarHBondContact OD2-NH2 2.93Å; D27-T108 HydrophobicContact CB-CG2 3.99Å; D27-T108 PolarHBondContact OD2-OG1 3.28Å
28A98.9Very high98.4Very high0 Ų042.3 Ų42.30%026%0.262CS..Hα-helixtrans-60.6-42.4175.100000112.4I24 S26 M32 C104 M105 T108I24-A28 WeakPolarHBondContact O-CB 3.24Å; I24-A28 PolarHBondContact O-N 2.91Å; S26-A28 PolarHBondContact O-N 3.46Å; A28-M32 WeakPolarHBondContact O-CB 3.19Å; A28-M32 PolarHBondContact O-N 3.01Å; A28-C104 WeakPolarHBondContact O-CB 3.47Å; A28-M105 HydrophobicContact CB-CB 4.46Å; A28-M105 HydrophobicContact CB-CE 3.67Å; A28-M105 HydrophobicContact CB-SD 4.05Å; A28-T108 WeakPolarHBondContact CA-OG1 3.38Å; A28-T108 PolarHBondContact N-OG1 3.32Å
29L98.8Very high98.4Very high2 Ų240 Ų401%0.0125%0.248CC..Hα-helixtrans-66.7-43.9175.8-76.5170.9000112.2G25 S26 D27 R31 M32 F33 L55 I62 L101G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.44Å; S26-L29 PolarHBondContact O-N 3.11Å; D27-L29 PolarHBondContact O-N 3.08Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.32Å; L29-M32 HydrophobicContact CD2-CE 3.8Å; L29-M32 WeakPolarHBondContact O-CB 3.39Å; L29-M32 PolarHBondContact O-N 3.35Å; L29-M32 VanDerWaalsContact O-N 3.14Å; L29-F33 HydrophobicContact CB-CD2 4.48Å; L29-F33 HydrophobicContact CB-CE2 4Å; L29-F33 HydrophobicContact CB-CZ 4.35Å; L29-F33 HydrophobicContact CD2-CZ 4.17Å; L29-F33 WeakPolarHBondContact O-CB 3.28Å; L29-F33 WeakPolarHBondContact O-CD2 3.46Å; L29-F33 WeakPolarHBondContact O-CG 3.28Å; L29-F33 PolarHBondContact O-N 3.34Å; L29-L55 HydrophobicContact CB-CD1 3.83Å; L29-L55 HydrophobicContact CD1-CD1 3.85Å; L29-I62 HydrophobicContact CD1-CD1 4.04Å; L29-I62 HydrophobicContact CD2-CD1 4.05Å; L29-I62 HydrophobicContact CG-CD1 4.25Å; L29-L101 HydrophobicContact CD2-CD1 4.14Å
30L98.7Very high98.4Very high49 Ų4939 Ų3926%0.25723%0.233SC..Hα-helixtrans-61.6-42.6177.4-72.9170.2000111.7S26 D27 M32 F33 A34 P50 L55S26-L30 WeakPolarHBondContact O-CB 3.49Å; S26-L30 VanDerWaalsContact O-CG 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.32Å; S26-L30 PolarHBondContact O-N 3.22Å; D27-L30 PolarHBondContact O-N 3.21Å; L30-M32 VanDerWaalsContact C-N 3.33Å; L30-M32 PolarHBondContact O-N 3.25Å; L30-F33 PolarHBondContact O-N 2.98Å; L30-A34 WeakPolarHBondContact O-CB 3.22Å; L30-A34 PolarHBondContact O-N 3.05Å; L30-P50 HydrophobicContact CD1-CB 4.23Å; L30-P50 HydrophobicContact CD2-CB 4.43Å; L30-P50 HydrophobicContact CD2-CG 3.99Å; L30-L55 HydrophobicContact CD1-CD2 3.93Å; L30-L55 HydrophobicContact CD2-CD2 3.65Å; L30-L55 HydrophobicContact CG-CD2 3.7Å
31R98.8Very high98.3Very high73 Ų7341 Ų4128%0.27525%0.245SC..Hα-helixtrans-59.5-43.9172.4-72.1171.5-170.2-82.9-2.6111.6D27 L29 A34 S35 C104 T108D27-R31 WeakPolarHBondContact O-CB 3.36Å; D27-R31 VanDerWaalsContact O-CG 3.24Å; D27-R31 WeakPolarHBondContact O-CG 3.32Å; D27-R31 PolarHBondContact O-N 3.3Å; D27-R31 IonicContact OD1-CZ 2.73Å; D27-R31 IonicContact OD1-NE 3.33Å; D27-R31 PolarHBondContact OD1-NE 3.35Å; D27-R31 IonicContact OD1-NH2 2.68Å; D27-R31 IonicContact OD2-CZ 3.14Å; D27-R31 IonicContact OD2-NE 3.77Å; D27-R31 PolarHBondContact OD2-NE 3.4Å; D27-R31 IonicContact OD2-NH2 3.99Å; D27-R31 PolarHBondContact OD2-NH2 2.93Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.32Å; R31-A34 PolarHBondContact O-N 3.13Å; R31-S35 VanDerWaalsContact O-CB 3.3Å; R31-S35 WeakPolarHBondContact O-CB 3.47Å; R31-S35 PolarHBondContact O-N 3.43Å; R31-S35 PolarHBondContact O-OG 3.41Å; R31-S35 VanDerWaalsContact O-OG 3.11Å; R31-C104 HydrophobicContact CB-CB 4.08Å; R31-T108 WeakPolarHBondContact CD-OG1 3.4Å; R31-T108 PolarHBondContact NE-OG1 3.36Å
32M98.8Very high98.2Very high10 Ų1045.1 Ų45.15%0.04926%0.261CS..Hα-helixtrans-62.8-44.9177.1-173.8-178.570.100111.5A28 L29 L30 A34 Y36 T39 L100 L101 C104A28-M32 WeakPolarHBondContact O-CB 3.19Å; A28-M32 PolarHBondContact O-N 3.01Å; L29-M32 HydrophobicContact CD2-CE 3.8Å; L29-M32 WeakPolarHBondContact O-CB 3.39Å; L29-M32 PolarHBondContact O-N 3.35Å; L29-M32 VanDerWaalsContact O-N 3.14Å; L30-M32 VanDerWaalsContact C-N 3.33Å; L30-M32 PolarHBondContact O-N 3.25Å; M32-A34 VanDerWaalsContact C-N 3.32Å; M32-A34 PolarHBondContact O-N 2.98Å; M32-Y36 HydrophobicContact CG-CD2 4.21Å; M32-Y36 CarbonylContact O-C 3.5Å; M32-Y36 VanDerWaalsContact O-CA 3.32Å; M32-Y36 WeakPolarHBondContact O-CA 3.47Å; M32-Y36 WeakPolarHBondContact O-CB 3.49Å; M32-Y36 PolarHBondContact O-N 2.84Å; M32-T39 HydrophobicContact CE-CG2 4.43Å; M32-T39 HydrophobicContact CG-CG2 3.95Å; M32-T39 HydrophobicContact SD-CG2 4.1Å; M32-L100 HydrophobicContact CG-CB 4.47Å; M32-L101 HydrophobicContact SD-CB 3.83Å; M32-L101 HydrophobicContact SD-CD1 4.15Å; M32-C104 WeakPolarHBondContact CA-SG 2.8Å; M32-C104 HydrophobicContact CB-CB 4.24Å
33F98.5Very high98.1Very high6 Ų645.6 Ų45.63%0.02626%0.259CS..Hα-helixtrans-66.3-32.7178.8-65.6-28.5000113.3L29 L30 P37 K40 F43 I48 L55L29-F33 HydrophobicContact CB-CD2 4.48Å; L29-F33 HydrophobicContact CB-CE2 4Å; L29-F33 HydrophobicContact CB-CZ 4.35Å; L29-F33 HydrophobicContact CD2-CZ 4.17Å; L29-F33 WeakPolarHBondContact O-CB 3.28Å; L29-F33 WeakPolarHBondContact O-CD2 3.46Å; L29-F33 WeakPolarHBondContact O-CG 3.28Å; L29-F33 PolarHBondContact O-N 3.34Å; L30-F33 PolarHBondContact O-N 2.98Å; F33-P37 WeakPolarHBondContact O-CA 3.31Å; F33-K40 HydrophobicContact CB-CD 4.47Å; F33-K40 HydrophobicContact CB-CG 4.01Å; F33-K40 HydrophobicContact CD1-CG 3.77Å; F33-K40 HydrophobicContact CG-CG 4Å; F33-K40 VanDerWaalsContact O-CE 3.22Å; F33-K40 WeakPolarHBondContact O-CE 3.29Å; F33-F43 AromaticContact CE1-CD2 3.59Å; F33-F43 HydrophobicContact CE1-CD2 3.59Å; F33-F43 AromaticContact CE1-CE2 3.77Å; F33-F43 HydrophobicContact CE1-CE2 3.77Å; F33-F43 HydrophobicContact CE1-CG 4.33Å; F33-F43 HydrophobicContact CZ-CD1 4.44Å; F33-F43 AromaticContact CZ-CD2 3.66Å; F33-F43 HydrophobicContact CZ-CD2 3.66Å; F33-F43 AromaticContact CZ-CE2 3.85Å; F33-F43 HydrophobicContact CZ-CE2 3.85Å; F33-F43 AromaticContact CZ-CG 3.98Å; F33-F43 HydrophobicContact CZ-CG 3.98Å; F33-F43 HydrophobicContact CZ-CZ 4.33Å; F33-I48 HydrophobicContact CD2-CB 4.47Å; F33-I48 HydrophobicContact CD2-CD1 4.28Å; F33-I48 HydrophobicContact CE2-CB 3.96Å; F33-I48 HydrophobicContact CE2-CD1 4.21Å; F33-I48 HydrophobicContact CE2-CG2 4.09Å; F33-I48 HydrophobicContact CZ-CD1 4.48Å; F33-I48 HydrophobicContact CZ-CG2 4.32Å; F33-L55 HydrophobicContact CE2-CD1 3.96Å
34A98.3Very high97.9Very high73 Ų7345.5 Ų45.560%0.60327%0.265SS*.Hα-helixtrans-75.8-49.2176.600000111.8L30 R31 M32L30-A34 WeakPolarHBondContact O-CB 3.22Å; L30-A34 PolarHBondContact O-N 3.05Å; R31-A34 PolarHBondContact O-N 3.13Å; M32-A34 VanDerWaalsContact C-N 3.32Å; M32-A34 PolarHBondContact O-N 2.98Å
35S98.5Very high97.6Very high79 Ų7954.2 Ų54.255%0.55231%0.306SS*.Hα-helixtrans-76.6-29.6-176.5-59.60000113.2R31R31-S35 VanDerWaalsContact O-CB 3.3Å; R31-S35 WeakPolarHBondContact O-CB 3.47Å; R31-S35 PolarHBondContact O-N 3.43Å; R31-S35 PolarHBondContact O-OG 3.41Å; R31-S35 VanDerWaalsContact O-OG 3.11Å
36Y98.1Very high97.4Very high79 Ų7957.5 Ų57.531%0.3132%0.323SS..  trans-133.772.2-176.1-46.6-72.4000110.9M32 G38 T39 L100M32-Y36 HydrophobicContact CG-CD2 4.21Å; M32-Y36 CarbonylContact O-C 3.5Å; M32-Y36 VanDerWaalsContact O-CA 3.32Å; M32-Y36 WeakPolarHBondContact O-CA 3.47Å; M32-Y36 WeakPolarHBondContact O-CB 3.49Å; M32-Y36 PolarHBondContact O-N 2.84Å; Y36-G38 PolarHBondContact O-N 3.46Å; Y36-T39 WeakPolarHBondContact O-CB 3.33Å; Y36-T39 WeakPolarHBondContact O-CG2 3.16Å; Y36-T39 PolarHBondContact O-N 3.44Å; Y36-T39 PolarHBondContact O-OG1 2.92Å; Y36-L100 HydrophobicContact CD1-CD1 4.13Å; Y36-L100 HydrophobicContact CD1-CD2 4.02Å; Y36-L100 HydrophobicContact CD2-CB 3.98Å; Y36-L100 HydrophobicContact CD2-CD1 4.21Å; Y36-L100 HydrophobicContact CD2-CD2 4.25Å; Y36-L100 HydrophobicContact CD2-CG 4.38Å; Y36-L100 HydrophobicContact CE1-CD2 3.81Å; Y36-L100 HydrophobicContact CE2-CB 4.14Å; Y36-L100 HydrophobicContact CE2-CD2 4.05Å; Y36-L100 HydrophobicContact CG-CB 4.46Å; Y36-L100 HydrophobicContact CG-CD1 3.84Å; Y36-L100 HydrophobicContact CG-CD2 4.23Å; Y36-L100 HydrophobicContact CG-CG 4.4Å
37P97.4Very high97.4Very high79 Ų7961.2 Ų61.251%0.51334%0.341SS..G310 helixtrans-57.4-27-171.5-27.335.9000115.2F33 T39 K40F33-P37 WeakPolarHBondContact O-CA 3.31Å; P37-T39 PolarHBondContact O-N 3.37Å; P37-T39 VanDerWaalsContact O-N 3.17Å; P37-K40 VanDerWaalsContact O-CB 3.3Å; P37-K40 WeakPolarHBondContact O-CB 3.43Å; P37-K40 WeakPolarHBondContact O-CG 3.32Å; P37-K40 PolarHBondContact O-N 3Å
38G97.5Very high97.3Very high55 Ų5561 Ų6157%0.56734%0.34SS*.G310 helixtrans-57.7-27.1175.600000113.7Y36 K40 T41Y36-G38 PolarHBondContact O-N 3.46Å; G38-K40 PolarHBondContact O-N 3.26Å; G38-T41 WeakPolarHBondContact O-CB 3.47Å; G38-T41 WeakPolarHBondContact O-CG2 3.22Å; G38-T41 PolarHBondContact O-N 3.06Å; G38-T41 PolarHBondContact O-OG1 2.86Å
39T98Very high97.2Very high3 Ų363.6 Ų63.62%0.01836%0.358CS..G310 helixtrans-65.3-20.8176.9620000113.4M32 Y36 P37 T41 N97 L100M32-T39 HydrophobicContact CE-CG2 4.43Å; M32-T39 HydrophobicContact CG-CG2 3.95Å; M32-T39 HydrophobicContact SD-CG2 4.1Å; Y36-T39 WeakPolarHBondContact O-CB 3.33Å; Y36-T39 WeakPolarHBondContact O-CG2 3.16Å; Y36-T39 PolarHBondContact O-N 3.44Å; Y36-T39 PolarHBondContact O-OG1 2.92Å; P37-T39 PolarHBondContact O-N 3.37Å; P37-T39 VanDerWaalsContact O-N 3.17Å; T39-T41 PolarHBondContact O-N 3.44Å; T39-N97 WeakPolarHBondContact CG2-OD1 3.24Å; T39-L100 HydrophobicContact CG2-CD1 4Å
40K97.3Very high97.1Very high93 Ų9368.4 Ų68.440%0.40439%0.389SS..G310 helixtrans-64.8-23.1177.4-66.2178.2176.4173.80113.2F33 P37 G38 Y42 F43 S44 I48F33-K40 HydrophobicContact CB-CD 4.47Å; F33-K40 HydrophobicContact CB-CG 4.01Å; F33-K40 HydrophobicContact CD1-CG 3.77Å; F33-K40 HydrophobicContact CG-CG 4Å; F33-K40 VanDerWaalsContact O-CE 3.22Å; F33-K40 WeakPolarHBondContact O-CE 3.29Å; P37-K40 VanDerWaalsContact O-CB 3.3Å; P37-K40 WeakPolarHBondContact O-CB 3.43Å; P37-K40 WeakPolarHBondContact O-CG 3.32Å; P37-K40 PolarHBondContact O-N 3Å; G38-K40 PolarHBondContact O-N 3.26Å; K40-Y42 PolarHBondContact O-N 3.33Å; K40-F43 CarbonylContact O-C 3.5Å; K40-F43 WeakPolarHBondContact O-CA 3.34Å; K40-F43 PolarHBondContact O-N 3.21Å; K40-S44 PolarHBondContact O-N 3.46Å; K40-I48 HydrophobicContact CB-CD1 4.2Å; K40-I48 HydrophobicContact CD-CD1 4.34Å; K40-I48 HydrophobicContact CG-CD1 3.98Å
41T97.1Very high97Very high94 Ų9469.9 Ų69.958%0.57742%0.416SS*.G310 helixtrans-57.6-37.3-177.654.60000112.5G38 T39 F43 S44G38-T41 WeakPolarHBondContact O-CB 3.47Å; G38-T41 WeakPolarHBondContact O-CG2 3.22Å; G38-T41 PolarHBondContact O-N 3.06Å; G38-T41 PolarHBondContact O-OG1 2.86Å; T39-T41 PolarHBondContact O-N 3.44Å; T41-F43 PolarHBondContact O-N 2.9Å; T41-S44 PolarHBondContact O-N 3.25Å; T41-S44 PolarHBondContact O-OG 3Å
42Y96.8Very high96.9Very high87 Ų8766.8 Ų66.834%0.34141%0.406SS..G310 helixtrans-66-13.4175.2-62.4-71.1000114.4K40 I93 D94 N97K40-Y42 PolarHBondContact O-N 3.33Å; Y42-I93 HydrophobicContact CD1-CD1 3.19Å; Y42-I93 HydrophobicContact CD2-CD1 4.27Å; Y42-I93 HydrophobicContact CE1-CD1 3.57Å; Y42-I93 HydrophobicContact CG-CD1 3.58Å; Y42-D94 PolarHBondContact OH-N 3.27Å; Y42-N97 VanDerWaalsContact CE2-ND2 3.25Å; Y42-N97 WeakPolarHBondContact CE2-ND2 3.33Å; Y42-N97 PolarHBondContact OH-ND2 3.38Å
43F96.3Very high96.9Very high31 Ų3170.3 Ų70.314%0.13644%0.436CS..G310 helixtrans-120.314.1-176.8-59.7-91.3000112.8F33 K40 T41 H45 L46 I48 H58F33-F43 AromaticContact CE1-CD2 3.59Å; F33-F43 HydrophobicContact CE1-CD2 3.59Å; F33-F43 AromaticContact CE1-CE2 3.77Å; F33-F43 HydrophobicContact CE1-CE2 3.77Å; F33-F43 HydrophobicContact CE1-CG 4.33Å; F33-F43 HydrophobicContact CZ-CD1 4.44Å; F33-F43 AromaticContact CZ-CD2 3.66Å; F33-F43 HydrophobicContact CZ-CD2 3.66Å; F33-F43 AromaticContact CZ-CE2 3.85Å; F33-F43 HydrophobicContact CZ-CE2 3.85Å; F33-F43 AromaticContact CZ-CG 3.98Å; F33-F43 HydrophobicContact CZ-CG 3.98Å; F33-F43 HydrophobicContact CZ-CZ 4.33Å; K40-F43 CarbonylContact O-C 3.5Å; K40-F43 WeakPolarHBondContact O-CA 3.34Å; K40-F43 PolarHBondContact O-N 3.21Å; T41-F43 PolarHBondContact O-N 2.9Å; F43-H45 PolarHBondContact O-N 2.84Å; F43-L46 HydrophobicContact CB-CD1 4.38Å; F43-L46 HydrophobicContact CD1-CD1 3.82Å; F43-L46 WeakPolarHBondContact O-CB 3.46Å; F43-L46 PolarHBondContact O-N 3.39Å; F43-I48 HydrophobicContact CB-CD1 4.41Å; F43-I48 HydrophobicContact CB-CG2 3.69Å; F43-I48 HydrophobicContact CD1-CG2 4.4Å; F43-I48 HydrophobicContact CG-CG2 4.26Å; F43-H58 AromaticContact CE1-CD2 3.69Å; F43-H58 AromaticContact CE1-NE2 3.59Å; F43-H58 AromaticContact CZ-NE2 3.95Å
44S94.1Very high96.8Very high84 Ų8473.1 Ų73.159%0.58745%0.45SS*.THydrogen-bonded Turntrans-57.5-21.2-173.453.20000115.1K40 T41K40-S44 PolarHBondContact O-N 3.46Å; T41-S44 PolarHBondContact O-N 3.25Å; T41-S44 PolarHBondContact O-OG 3Å
45H92.6Very high96.8Very high183 Ų18369.9 Ų69.985%0.84742%0.422SS*.THydrogen-bonded Turntrans-95.26.9178.5-54.6-52.3000114.1F43F43-H45 PolarHBondContact O-N 2.84Å
46L94.6Very high96.8Very high71 Ų7168.3 Ų68.337%0.37241%0.411SS..SBendtrans-124.6146.3-170.5-61.1166.4000110.5F43 I48 H54F43-L46 HydrophobicContact CB-CD1 4.38Å; F43-L46 HydrophobicContact CD1-CD1 3.82Å; F43-L46 WeakPolarHBondContact O-CB 3.46Å; F43-L46 PolarHBondContact O-N 3.39Å; L46-I48 HydrophobicContact CB-CG2 4.33Å; L46-I48 PolarHBondContact O-N 3.35Å; L46-I48 VanDerWaalsContact O-N 3.11Å; L46-H54 VanDerWaalsContact CD1-NE2 3.3Å; L46-H54 WeakPolarHBondContact CD1-NE2 3.36Å
47D96.9Very high96.8Very high93 Ų9367 Ų6750%0.49741%0.414SS..  trans-73.9102.6169.1179.111.5000109.7S49 S52D47-S49 VanDerWaalsContact OD1-CB 3.24Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.12Å; D47-S49 PolarHBondContact OD1-OG 2.9Å; D47-S49 PolarHBondContact OD2-OG 3.31Å; D47-S52 VanDerWaalsContact CG-CB 3.49Å; D47-S52 WeakPolarHBondContact O-CB 3.49Å; D47-S52 PolarHBondContact O-OG 2.86Å; D47-S52 VanDerWaalsContact OD2-CB 3.25Å; D47-S52 WeakPolarHBondContact OD2-CB 3.45Å
48I97Very high96.9Very high37 Ų3765.9 Ų65.919%0.1940%0.401CS..  trans-104.319.1177.459.9171.5000112.7F33 K40 F43 L46F33-I48 HydrophobicContact CD2-CB 4.47Å; F33-I48 HydrophobicContact CD2-CD1 4.28Å; F33-I48 HydrophobicContact CE2-CB 3.96Å; F33-I48 HydrophobicContact CE2-CD1 4.21Å; F33-I48 HydrophobicContact CE2-CG2 4.09Å; F33-I48 HydrophobicContact CZ-CD1 4.48Å; F33-I48 HydrophobicContact CZ-CG2 4.32Å; K40-I48 HydrophobicContact CB-CD1 4.2Å; K40-I48 HydrophobicContact CD-CD1 4.34Å; K40-I48 HydrophobicContact CG-CD1 3.98Å; F43-I48 HydrophobicContact CB-CD1 4.41Å; F43-I48 HydrophobicContact CB-CG2 3.69Å; F43-I48 HydrophobicContact CD1-CG2 4.4Å; F43-I48 HydrophobicContact CG-CG2 4.26Å; L46-I48 HydrophobicContact CB-CG2 4.33Å; L46-I48 PolarHBondContact O-N 3.35Å; L46-I48 VanDerWaalsContact O-N 3.11Å
49S96.9Very high96.9Very high54 Ų5463.2 Ų63.238%0.37837%0.374SS..SBendtrans-64.6149.3175.362.90000111.5D47 G51 S52 L55D47-S49 VanDerWaalsContact OD1-CB 3.24Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.12Å; D47-S49 PolarHBondContact OD1-OG 2.9Å; D47-S49 PolarHBondContact OD2-OG 3.31Å; S49-G51 PolarHBondContact O-N 2.97Å; S49-S52 WeakPolarHBondContact O-CB 3.32Å; S49-S52 PolarHBondContact O-N 3.09Å; S49-S52 PolarHBondContact O-OG 3.3Å; S49-L55 WeakPolarHBondContact O-CD2 3.44Å
50P97.3Very high96.9Very high104 Ų10468 Ų6868%0.67539%0.394SS*.THydrogen-bonded Turntrans-54128.1174-24.833.8000111.4L30 S52L30-P50 HydrophobicContact CD1-CB 4.23Å; L30-P50 HydrophobicContact CD2-CB 4.43Å; L30-P50 HydrophobicContact CD2-CG 3.99Å; P50-S52 VanDerWaalsContact C-N 3.33Å
51G95.9Very high97Very high80 Ų8070.4 Ų70.483%0.82541%0.405SS*.THydrogen-bonded Turntrans82.90.8-178.500000115.3S49S49-G51 PolarHBondContact O-N 2.97Å
52S98.1Very high97.1Very high8 Ų867.3 Ų67.36%0.05639%0.385CS..  trans-64.1145.4176.586.90000112D47 S49 P50 H54 L55 S56D47-S52 VanDerWaalsContact CG-CB 3.49Å; D47-S52 WeakPolarHBondContact O-CB 3.49Å; D47-S52 PolarHBondContact O-OG 2.86Å; D47-S52 VanDerWaalsContact OD2-CB 3.25Å; D47-S52 WeakPolarHBondContact OD2-CB 3.45Å; S49-S52 WeakPolarHBondContact O-CB 3.32Å; S49-S52 PolarHBondContact O-N 3.09Å; S49-S52 PolarHBondContact O-OG 3.3Å; P50-S52 VanDerWaalsContact C-N 3.33Å; S52-H54 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact O-N 3.48Å; S52-L55 WeakPolarHBondContact OG-CB 3.47Å; S52-L55 PolarHBondContact OG-N 2.91Å; S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.33Å
53A97.8Very high97.1Very high83 Ų8363.2 Ų63.269%0.68637%0.369SS*.Hα-helixtrans-61.7-34.7177.500000111.9S57A53-S57 WeakPolarHBondContact O-CB 3.2Å; A53-S57 PolarHBondContact O-N 3.43Å; A53-S57 PolarHBondContact O-OG 3.27Å; A53-S57 VanDerWaalsContact O-OG 3.06Å
54H97.2Very high97.2Very high66 Ų6665 Ų6531%0.30638%0.379SS..Hα-helixtrans-67.4-49.3178.7-170.377.5000111.4L46 S52 S56 S57 H58L46-H54 VanDerWaalsContact CD1-NE2 3.3Å; L46-H54 WeakPolarHBondContact CD1-NE2 3.36Å; S52-H54 PolarHBondContact O-N 3.49Å; H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 PolarHBondContact O-N 3.11Å; H54-S57 PolarHBondContact O-N 2.93Å; H54-S57 PolarHBondContact O-OG 3.42Å; H54-H58 VanDerWaalsContact O-CB 3.3Å; H54-H58 WeakPolarHBondContact O-CB 3.15Å; H54-H58 PolarHBondContact O-N 2.99Å
55L98.1Very high97.4Very high5 Ų562.1 Ų62.13%0.02636%0.361CS..Hα-helixtrans-57.7-46.6177.5-178.169.3000111.3L29 L30 F33 S49 S52 H58 G59L29-L55 HydrophobicContact CB-CD1 3.83Å; L29-L55 HydrophobicContact CD1-CD1 3.85Å; L30-L55 HydrophobicContact CD1-CD2 3.93Å; L30-L55 HydrophobicContact CD2-CD2 3.65Å; L30-L55 HydrophobicContact CG-CD2 3.7Å; F33-L55 HydrophobicContact CE2-CD1 3.96Å; S49-L55 WeakPolarHBondContact O-CD2 3.44Å; S52-L55 PolarHBondContact O-N 3.48Å; S52-L55 WeakPolarHBondContact OG-CB 3.47Å; S52-L55 PolarHBondContact OG-N 2.91Å; L55-H58 PolarHBondContact O-N 3.17Å; L55-G59 PolarHBondContact O-N 3.46Å
56S98.3Very high97.7Very high45 Ų4553.8 Ų53.832%0.31532%0.322SS..Hα-helixtrans-58.6-51.7177.1-177.30000112.7S26 S52 H54 H58 K60S26-S56 VanDerWaalsContact OG-CA 3.28Å; S26-S56 WeakPolarHBondContact OG-CA 3.37Å; S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.33Å; H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 PolarHBondContact O-N 3.11Å; S56-H58 PolarHBondContact O-N 3.08Å; S56-K60 WeakPolarHBondContact O-CB 3.4Å; S56-K60 PolarHBondContact O-N 2.83Å
57S98.4Very high97.8Very high53 Ų5350.9 Ų50.937%0.37131%0.308SS..Hα-helixtrans-66.5-37-179.168.50000112.7A53 H54 K61A53-S57 WeakPolarHBondContact O-CB 3.2Å; A53-S57 PolarHBondContact O-N 3.43Å; A53-S57 PolarHBondContact O-OG 3.27Å; A53-S57 VanDerWaalsContact O-OG 3.06Å; H54-S57 PolarHBondContact O-N 2.93Å; H54-S57 PolarHBondContact O-OG 3.42Å; S57-K61 WeakPolarHBondContact O-CG 3.41Å; S57-K61 PolarHBondContact O-N 3.17Å
58H98.1Very high97.8Very high54 Ų5450.6 Ų50.625%0.2530%0.304CS..Hα-helixtrans-72.2-45.3178-170.660.8000111.8F43 H54 L55 S56 K60 K61 I62F43-H58 AromaticContact CE1-CD2 3.69Å; F43-H58 AromaticContact CE1-NE2 3.59Å; F43-H58 AromaticContact CZ-NE2 3.95Å; H54-H58 VanDerWaalsContact O-CB 3.3Å; H54-H58 WeakPolarHBondContact O-CB 3.15Å; H54-H58 PolarHBondContact O-N 2.99Å; L55-H58 PolarHBondContact O-N 3.17Å; S56-H58 PolarHBondContact O-N 3.08Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 2.8Å; H58-K61 WeakPolarHBondContact O-CB 3.41Å; H58-K61 PolarHBondContact O-N 3.24Å; H58-I62 PolarHBondContact O-N 3.46Å; H58-I62 VanDerWaalsContact O-N 3.07Å
59G98.6Very high97.8Very high0 Ų048.8 Ų48.80%030%0.295CS..Hα-helixtrans-54.4-45.6173.400000111.8L55 K61 I62 V63L55-G59 PolarHBondContact O-N 3.46Å; G59-K61 PolarHBondContact O-N 2.97Å; G59-I62 PolarHBondContact O-N 3.25Å; G59-V63 PolarHBondContact O-N 3.44Å
60K98.8Very high97.7Very high102 Ų10246.4 Ų46.444%0.44328%0.279SS..Hα-helixtrans-56.8-46.2174.1-174.6172.7-179.5171.90112.2A21 A22 S56 H58 I62 V63 L64A21-K60 HydrophobicContact CB-CG 4.16Å; A22-K60 HydrophobicContact CB-CB 3.99Å; A22-K60 HydrophobicContact CB-CD 4.41Å; A22-K60 HydrophobicContact CB-CG 4.49Å; S56-K60 WeakPolarHBondContact O-CB 3.4Å; S56-K60 PolarHBondContact O-N 2.83Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 2.8Å; K60-I62 VanDerWaalsContact C-N 3.32Å; K60-I62 PolarHBondContact O-N 3.14Å; K60-V63 PolarHBondContact O-N 2.95Å; K60-L64 HydrophobicContact CG-CD1 3.9Å; K60-L64 HydrophobicContact CG-CG 4.21Å; K60-L64 WeakPolarHBondContact O-CB 3.47Å; K60-L64 VanDerWaalsContact O-CG 3.25Å; K60-L64 WeakPolarHBondContact O-CG 3.37Å; K60-L64 PolarHBondContact O-N 2.73Å
61K98.5Very high97.6Very high144 Ų14447.1 Ų47.163%0.62627%0.271SS*.Hα-helixtrans-59.6-42.2179-73.1175.9-172.7-179.50112S57 H58 G59 A65S57-K61 WeakPolarHBondContact O-CG 3.41Å; S57-K61 PolarHBondContact O-N 3.17Å; H58-K61 WeakPolarHBondContact O-CB 3.41Å; H58-K61 PolarHBondContact O-N 3.24Å; G59-K61 PolarHBondContact O-N 2.97Å; K61-A65 WeakPolarHBondContact O-CB 2.85Å; K61-A65 PolarHBondContact O-N 3.02Å
62I98.3Very high97.4Very high30 Ų3046.9 Ų46.915%0.15425%0.251CS..Hα-helixtrans-61.1-52.5177.4-66.8173.1000110.1L29 H58 G59 K60 L64 A65 I66 L101 M105L29-I62 HydrophobicContact CD1-CD1 4.04Å; L29-I62 HydrophobicContact CD2-CD1 4.05Å; L29-I62 HydrophobicContact CG-CD1 4.25Å; H58-I62 PolarHBondContact O-N 3.46Å; H58-I62 VanDerWaalsContact O-N 3.07Å; G59-I62 PolarHBondContact O-N 3.25Å; K60-I62 VanDerWaalsContact C-N 3.32Å; K60-I62 PolarHBondContact O-N 3.14Å; I62-L64 VanDerWaalsContact C-N 3.32Å; I62-L64 PolarHBondContact O-N 3.42Å; I62-A65 PolarHBondContact O-N 3.06Å; I62-I66 HydrophobicContact CG2-CD1 3.83Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 3.27Å; I62-L101 HydrophobicContact CD1-CD2 4.3Å; I62-L101 HydrophobicContact CG2-CD2 4.24Å; I62-M105 HydrophobicContact CG2-CE 4.46Å
63V98.6Very high97Very high0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-62.8-39.4-177.9172.90000111.6W14 A21 I24 G59 K60 I66 A67 M105W14-V63 HydrophobicContact CE3-CG1 4.09Å; W14-V63 HydrophobicContact CZ3-CG1 3.67Å; A21-V63 HydrophobicContact CB-CB 3.86Å; A21-V63 HydrophobicContact CB-CG1 3.54Å; A21-V63 WeakPolarHBondContact O-CG2 3.35Å; I24-V63 HydrophobicContact CB-CG2 4.25Å; I24-V63 HydrophobicContact CG2-CG2 3.91Å; G59-V63 PolarHBondContact O-N 3.44Å; K60-V63 PolarHBondContact O-N 2.95Å; V63-I66 PolarHBondContact O-N 3.27Å; V63-A67 WeakPolarHBondContact O-CB 3.43Å; V63-A67 PolarHBondContact O-N 3.01Å; V63-M105 HydrophobicContact CG2-CE 3.87Å
64L98.2Very high96.6Very high68 Ų6847.7 Ų47.736%0.35625%0.249SC..Hα-helixtrans-65.4-38.4176-69.2179.8000112.6T18 A21 K60 I62 I66 A67 E68T18-L64 HydrophobicContact CG2-CD2 3.73Å; A21-L64 HydrophobicContact CB-CD2 4.35Å; K60-L64 HydrophobicContact CG-CD1 3.9Å; K60-L64 HydrophobicContact CG-CG 4.21Å; K60-L64 WeakPolarHBondContact O-CB 3.47Å; K60-L64 VanDerWaalsContact O-CG 3.25Å; K60-L64 WeakPolarHBondContact O-CG 3.37Å; K60-L64 PolarHBondContact O-N 2.73Å; I62-L64 VanDerWaalsContact C-N 3.32Å; I62-L64 PolarHBondContact O-N 3.42Å; L64-I66 VanDerWaalsContact C-N 3.34Å; L64-A67 PolarHBondContact O-N 2.98Å; L64-E68 WeakPolarHBondContact O-CB 3.44Å; L64-E68 PolarHBondContact O-N 3.38Å
65A97.9Very high96.3Very high25 Ų2548.7 Ų48.721%0.20725%0.254CS..Hα-helixtrans-64.9-39.5174.800000111.8K61 I62 E68 G69 L83 F132K61-A65 WeakPolarHBondContact O-CB 2.85Å; K61-A65 PolarHBondContact O-N 3.02Å; I62-A65 PolarHBondContact O-N 3.06Å; A65-E68 PolarHBondContact O-N 3.06Å; A65-G69 PolarHBondContact O-N 3.24Å; A65-L83 HydrophobicContact CB-CD1 4.01Å; A65-F132 HydrophobicContact CB-CZ 4.37Å
66I98.1Very high96.1Very high7 Ų748.8 Ų48.84%0.03625%0.254CS..Hα-helixtrans-63.7-47.6174-66.9169.5000110.4W14 I62 V63 L64 E68 G69 A70 M105 F128 L129 F132W14-I66 HydrophobicContact CD2-CG2 4.25Å; W14-I66 HydrophobicContact CH2-CG2 4.04Å; W14-I66 HydrophobicContact CZ2-CG2 3.42Å; W14-I66 VanDerWaalsContact CZ2-CG2 3.42Å; I62-I66 HydrophobicContact CG2-CD1 3.83Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 3.27Å; V63-I66 PolarHBondContact O-N 3.27Å; L64-I66 VanDerWaalsContact C-N 3.34Å; I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 PolarHBondContact O-N 3.49Å; I66-G69 PolarHBondContact O-N 2.92Å; I66-A70 PolarHBondContact O-N 3.02Å; I66-M105 HydrophobicContact CD1-CE 4.08Å; I66-F128 HydrophobicContact CG2-CE1 3.56Å; I66-F128 HydrophobicContact CG2-CZ 4.16Å; I66-F128 WeakPolarHBondContact O-CZ 3.26Å; I66-L129 HydrophobicContact CD1-CD2 4.12Å; I66-L129 HydrophobicContact CG1-CD2 4.47Å; I66-L129 HydrophobicContact CG2-CD2 3.92Å; I66-F132 HydrophobicContact CG1-CD1 4.46Å; I66-F132 HydrophobicContact CG1-CE1 4Å; I66-F132 HydrophobicContact CG1-CE2 4.18Å; I66-F132 HydrophobicContact CG1-CZ 3.86Å
67A97.6Very high95.9Very high10 Ų1049.8 Ų49.88%0.08326%0.259CS..Hα-helixtrans-62.5-37.8178.400000112.3W14 V63 L64 A70 K71W14-A67 HydrophobicContact CB-CB 3.91Å; W14-A67 HydrophobicContact CG-CB 4.32Å; V63-A67 WeakPolarHBondContact O-CB 3.43Å; V63-A67 PolarHBondContact O-N 3.01Å; L64-A67 PolarHBondContact O-N 2.98Å; A67-A70 WeakPolarHBondContact O-CB 3.32Å; A67-A70 PolarHBondContact O-N 2.68Å; A67-K71 PolarHBondContact O-N 2.92Å
68E96.6Very high95.7Very high87 Ų8752 Ų5241%0.40727%0.27SS..Hα-helixtrans-63-47173.6-172.259.5-147.300111.2L64 A65 I66 A70 K71 T79L64-E68 WeakPolarHBondContact O-CB 3.44Å; L64-E68 PolarHBondContact O-N 3.38Å; A65-E68 PolarHBondContact O-N 3.06Å; I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 PolarHBondContact O-N 3.49Å; E68-A70 PolarHBondContact O-N 2.93Å; E68-K71 WeakPolarHBondContact O-CB 3.48Å; E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE1-NZ 3.49Å; E68-K71 WeakPolarHBondContact OE2-CD 3.3Å; E68-K71 WeakPolarHBondContact OE2-CE 3.31Å; E68-K71 IonicContact OE2-NZ 2.93Å; E68-K71 PolarHBondContact OE2-NZ 3.35Å; E68-T79 HydrophobicContact CG-CG2 3.96Å
69G96Very high95.5Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-61.2-26175.400000113.9A65 I66 K71 D72 I73A65-G69 PolarHBondContact O-N 3.24Å; I66-G69 PolarHBondContact O-N 2.92Å; G69-K71 VanDerWaalsContact C-N 3.34Å; G69-D72 CarbonylContact O-C 3.43Å; G69-I73 PolarHBondContact O-N 3.13Å
70A96.4Very high95.3Very high4 Ų452.3 Ų52.33%0.03328%0.275CS..Hα-helixtrans-73-22.9175.500000113.6I10 W14 I66 A67 E68 F128I10-A70 HydrophobicContact CG2-CB 3.83Å; W14-A70 HydrophobicContact CB-CB 4.4Å; W14-A70 HydrophobicContact CG-CB 4.23Å; I66-A70 PolarHBondContact O-N 3.02Å; A67-A70 WeakPolarHBondContact O-CB 3.32Å; A67-A70 PolarHBondContact O-N 2.68Å; E68-A70 PolarHBondContact O-N 2.93Å; A70-F128 HydrophobicContact CB-CE1 4.15Å; A70-F128 HydrophobicContact CB-CE2 4.47Å; A70-F128 HydrophobicContact CB-CZ 3.85Å
71K94.7Very high95.2Very high119 Ų11949.3 Ų49.352%0.51727%0.27SS..Hα-helixtrans-65.6-41.9179.6-67177.3-177.7169.10112.1A67 E68 G69A67-K71 PolarHBondContact O-N 2.92Å; E68-K71 WeakPolarHBondContact O-CB 3.48Å; E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE1-NZ 3.49Å; E68-K71 WeakPolarHBondContact OE2-CD 3.3Å; E68-K71 WeakPolarHBondContact OE2-CE 3.31Å; E68-K71 IonicContact OE2-NZ 2.93Å; E68-K71 PolarHBondContact OE2-NZ 3.35Å; G69-K71 VanDerWaalsContact C-N 3.34Å
72D90.3Very high95Very high74 Ų7446.8 Ų46.840%0.39627%0.268SS..  trans-143.490.7172.1-169.8-7.5000111.7G69 S74 Q75G69-D72 CarbonylContact O-C 3.43Å; D72-S74 PolarHBondContact O-N 3.33Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.43Å; D72-S74 PolarHBondContact OD1-N 3.39Å; D72-S74 PolarHBondContact OD1-OG 3.09Å; D72-S74 PolarHBondContact OD2-OG 3.2Å; D72-Q75 HydrophobicContact CB-CB 4.47Å; D72-Q75 PolarHBondContact O-N 3.38Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.34Å
73I90.6Very high94.9Very high27 Ų2747.9 Ų47.914%0.13827%0.274CS..G310 helixtrans-60.4-24.1178.9-68.4157.1000112.6L2 K7 I10 G69 Q75 L76 F128L2-I73 HydrophobicContact CD1-CD1 3.83Å; L2-I73 HydrophobicContact CD1-CG2 4.12Å; K7-I73 HydrophobicContact CB-CD1 4.3Å; K7-I73 HydrophobicContact CG-CD1 3.87Å; I10-I73 HydrophobicContact CD1-CD1 4.33Å; G69-I73 PolarHBondContact O-N 3.13Å; I73-Q75 PolarHBondContact O-N 3.04Å; I73-L76 HydrophobicContact CG2-CD1 3.95Å; I73-L76 WeakPolarHBondContact O-CG 3.47Å; I73-L76 PolarHBondContact O-N 3.45Å; I73-F128 HydrophobicContact CD1-CD2 3.98Å; I73-F128 HydrophobicContact CD1-CE2 4.34Å; I73-F128 HydrophobicContact CG1-CD2 3.83Å; I73-F128 HydrophobicContact CG1-CE2 3.8Å
74S88.9Confident94.8Very high81 Ų8148.1 Ų48.157%0.56628%0.275SS*.G310 helixtrans-72.2-19.2179.375.30000113.1D72D72-S74 PolarHBondContact O-N 3.33Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.43Å; D72-S74 PolarHBondContact OD1-N 3.39Å; D72-S74 PolarHBondContact OD1-OG 3.09Å; D72-S74 PolarHBondContact OD2-OG 3.2Å
75Q91.6Very high94.7Very high87 Ų8747.8 Ų47.841%0.40728%0.276SS..G310 helixtrans-103.510.7-179.1-65.3-60.8-50.400112.9D72 I73 T77 V78 T79D72-Q75 HydrophobicContact CB-CB 4.47Å; D72-Q75 PolarHBondContact O-N 3.38Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.34Å; I73-Q75 PolarHBondContact O-N 3.04Å; Q75-T77 VanDerWaalsContact C-N 3.28Å; Q75-T77 PolarHBondContact O-N 2.85Å; Q75-T77 VanDerWaalsContact O-N 3.14Å; Q75-V78 WeakPolarHBondContact O-CA 3.24Å; Q75-V78 WeakPolarHBondContact O-CB 3.48Å; Q75-V78 PolarHBondContact O-N 3.34Å; Q75-T79 PolarHBondContact O-N 2.63Å; Q75-T79 PolarHBondContact O-OG1 2.95Å
76L93.6Very high94.7Very high7 Ų749.3 Ų49.34%0.03728%0.28CS..Hα-helixtrans-50.6-44.2-175.3-83174.2000113.7I73 V78 T79 L80 F128 A131 F132 V135I73-L76 HydrophobicContact CG2-CD1 3.95Å; I73-L76 WeakPolarHBondContact O-CG 3.47Å; I73-L76 PolarHBondContact O-N 3.45Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 2.9Å; L76-T79 PolarHBondContact O-N 3.48Å; L76-L80 HydrophobicContact CD2-CD1 4.03Å; L76-L80 HydrophobicContact CD2-CG 4.48Å; L76-L80 VanDerWaalsContact O-CB 3.23Å; L76-L80 WeakPolarHBondContact O-CB 3.28Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.47Å; L76-F128 HydrophobicContact CD1-CE2 4.32Å; L76-F128 HydrophobicContact CD2-CE2 4.37Å; L76-A131 HydrophobicContact CD1-CB 4.39Å; L76-F132 HydrophobicContact CD2-CD2 3.93Å; L76-F132 HydrophobicContact CD2-CE2 4.47Å; L76-V135 HydrophobicContact CB-CG2 4.15Å
77T93.6Very high94.6Very high67 Ų6750.8 Ų50.841%0.41129%0.287SS..Hα-helixtrans-59.7-40.1178.3-55.40000112.1Q75 A81 E138Q75-T77 VanDerWaalsContact C-N 3.28Å; Q75-T77 PolarHBondContact O-N 2.85Å; Q75-T77 VanDerWaalsContact O-N 3.14Å; T77-A81 PolarHBondContact O-N 3.09Å; T77-E138 WeakPolarHBondContact CG2-OE2 3.41Å
78V94.1Very high94.6Very high100 Ų10050.7 Ų50.761%0.60629%0.287SS*.Hα-helixtrans-71.8-49.8177.8179.70000110.2Q75 L76 L80 A81Q75-V78 WeakPolarHBondContact O-CA 3.24Å; Q75-V78 WeakPolarHBondContact O-CB 3.48Å; Q75-V78 PolarHBondContact O-N 3.34Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 2.9Å; V78-L80 VanDerWaalsContact C-N 3.25Å; V78-L80 PolarHBondContact O-N 2.64Å; V78-A81 PolarHBondContact O-N 3.47Å
79T93.6Very high94.5Very high56 Ų5652.6 Ų52.634%0.34429%0.291SS..Hα-helixtrans-59.2-36.3-179.4-56.10000112.3E68 Q75 L76E68-T79 HydrophobicContact CG-CG2 3.96Å; Q75-T79 PolarHBondContact O-N 2.63Å; Q75-T79 PolarHBondContact O-OG1 2.95Å; L76-T79 PolarHBondContact O-N 3.48Å
80L95.6Very high94.5Very high3 Ų359.3 Ų59.32%0.01632%0.322CS..Hα-helixtrans-96.1-1.8-175.9-61.1177.3000114.1L76 V78 P82 L83 Q84 F132 V135 L136L76-L80 HydrophobicContact CD2-CD1 4.03Å; L76-L80 HydrophobicContact CD2-CG 4.48Å; L76-L80 VanDerWaalsContact O-CB 3.23Å; L76-L80 WeakPolarHBondContact O-CB 3.28Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.47Å; V78-L80 VanDerWaalsContact C-N 3.25Å; V78-L80 PolarHBondContact O-N 2.64Å; L80-P82 VanDerWaalsContact C-CD 3.46Å; L80-P82 VanDerWaalsContact C-N 3.34Å; L80-L83 HydrophobicContact CD2-CD1 3.89Å; L80-L83 CarbonylContact O-C 3.54Å; L80-L83 WeakPolarHBondContact O-CA 3.44Å; L80-L83 WeakPolarHBondContact O-CB 3.2Å; L80-L83 PolarHBondContact O-N 3.26Å; L80-Q84 WeakPolarHBondContact O-CG 3.39Å; L80-Q84 PolarHBondContact O-N 2.82Å; L80-F132 HydrophobicContact CD1-CD1 4.44Å; L80-F132 HydrophobicContact CD1-CD2 3.72Å; L80-F132 HydrophobicContact CD1-CE1 4.41Å; L80-F132 HydrophobicContact CD1-CE2 3.67Å; L80-F132 HydrophobicContact CD1-CG 4.11Å; L80-F132 HydrophobicContact CD1-CZ 4.03Å; L80-F132 HydrophobicContact CD2-CD2 4.46Å; L80-F132 HydrophobicContact CD2-CE2 3.58Å; L80-F132 HydrophobicContact CD2-CZ 3.61Å; L80-F132 HydrophobicContact CG-CE2 4.2Å; L80-F132 HydrophobicContact CG-CZ 4.49Å; L80-V135 HydrophobicContact CB-CG1 4.01Å; L80-V135 HydrophobicContact CD1-CB 4.16Å; L80-V135 HydrophobicContact CD1-CG1 3.79Å; L80-V135 HydrophobicContact CG-CG1 4.45Å; L80-L136 HydrophobicContact CB-CD2 4.3Å; L80-L136 HydrophobicContact CD1-CD2 4.4Å; L80-L136 HydrophobicContact CD1-CG 4.33Å
81A95.4Very high94.4Very high39 Ų3963.2 Ų63.232%0.32234%0.342SS..Hα-helixtrans-51.4-42.1-176.100000114.7T77 V78 L83 Q84 T85T77-A81 PolarHBondContact O-N 3.09Å; V78-A81 PolarHBondContact O-N 3.47Å; A81-L83 PolarHBondContact O-N 2.98Å; A81-Q84 PolarHBondContact O-N 3Å; A81-T85 PolarHBondContact O-N 2.68Å; A81-T85 PolarHBondContact O-OG1 2.96Å; A81-T85 VanDerWaalsContact O-OG1 3.13Å
82P95.6Very high94.5Very high92 Ų9266.5 Ų66.560%0.59735%0.351SS*.Hα-helixtrans-64.7-39.6174.6-21.234.1000112.5L80 T85 L86L80-P82 VanDerWaalsContact C-CD 3.46Å; L80-P82 VanDerWaalsContact C-N 3.34Å; P82-T85 PolarHBondContact O-N 3.03Å; P82-L86 WeakPolarHBondContact O-CB 3.3Å; P82-L86 PolarHBondContact O-N 3.48Å
83L96.6Very high94.8Very high53 Ų5364 Ų6428%0.27734%0.337SS..Hα-helixtrans-71.3-36.2179.4-65.3-178.8000112.1A65 L80 A81 T85 L86 H87 L136A65-L83 HydrophobicContact CB-CD1 4.01Å; L80-L83 HydrophobicContact CD2-CD1 3.89Å; L80-L83 CarbonylContact O-C 3.54Å; L80-L83 WeakPolarHBondContact O-CA 3.44Å; L80-L83 WeakPolarHBondContact O-CB 3.2Å; L80-L83 PolarHBondContact O-N 3.26Å; A81-L83 PolarHBondContact O-N 2.98Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 3.42Å; L83-L86 HydrophobicContact CD2-CD2 4.24Å; L83-L86 PolarHBondContact O-N 3.21Å; L83-H87 WeakPolarHBondContact O-CB 3.38Å; L83-H87 PolarHBondContact O-N 3.05Å; L83-H87 PolarHBondContact O-ND1 3.4Å; L83-L136 HydrophobicContact CB-CD2 3.64Å
84Q95.9Very high95Very high4 Ų466.3 Ų66.32%0.01935%0.35CS..Hα-helixtrans-55.5-49.3172-69.6177.7-33.400110.5L80 A81 H87 A88 V135 E138 K139L80-Q84 WeakPolarHBondContact O-CG 3.39Å; L80-Q84 PolarHBondContact O-N 2.82Å; A81-Q84 PolarHBondContact O-N 3Å; Q84-H87 PolarHBondContact O-N 3.24Å; Q84-A88 WeakPolarHBondContact O-CB 3.25Å; Q84-A88 PolarHBondContact O-N 3.07Å; Q84-V135 WeakPolarHBondContact CG-O 3.23Å; Q84-V135 PolarHBondContact NE2-O 3.5Å; Q84-E138 PolarHBondContact NE2-OE2 3.35Å; Q84-K139 HydrophobicContact CB-CG 3.82Å
85T96.2Very high95.4Very high61 Ų6164.4 Ų64.437%0.37434%0.336SS..Hα-helixtrans-63-46.8-179.4-58.10000111.3A81 P82 L83 Y89A81-T85 PolarHBondContact O-N 2.68Å; A81-T85 PolarHBondContact O-OG1 2.96Å; A81-T85 VanDerWaalsContact O-OG1 3.13Å; P82-T85 PolarHBondContact O-N 3.03Å; L83-T85 VanDerWaalsContact C-N 3.31Å; L83-T85 PolarHBondContact O-N 3.42Å; T85-Y89 HydrophobicContact CG2-CD2 3.95Å; T85-Y89 PolarHBondContact O-N 2.92Å
86L96.8Very high95.6Very high58 Ų5864 Ų6430%0.30434%0.34SS..Iπ-helixtrans-58-53.8177.6174.263.5000111.4P82 L83 Q90 L91P82-L86 WeakPolarHBondContact O-CB 3.3Å; P82-L86 PolarHBondContact O-N 3.48Å; L83-L86 HydrophobicContact CD2-CD2 4.24Å; L83-L86 PolarHBondContact O-N 3.21Å; L86-Q90 HydrophobicContact CD1-CB 4.22Å; L86-Q90 WeakPolarHBondContact O-CB 3.39Å; L86-Q90 PolarHBondContact O-N 3.38Å; L86-L91 HydrophobicContact CD1-CD1 4.24Å; L86-L91 HydrophobicContact CD1-CD2 4.47Å; L86-L91 HydrophobicContact CD1-CG 4.05Å; L86-L91 HydrophobicContact CD2-CD1 4.44Å; L86-L91 HydrophobicContact CG-CD1 3.96Å; L86-L91 HydrophobicContact CG-CG 4.19Å; L86-L91 PolarHBondContact O-N 3.3Å
87H97.1Very high95.8Very high37 Ų3764.9 Ų64.917%0.17134%0.344CS..Iπ-helixtrans-69.9-40.2-174.3-68.977.5000111.9L83 Q84 R92 I93 F98 Y140L83-H87 WeakPolarHBondContact O-CB 3.38Å; L83-H87 PolarHBondContact O-N 3.05Å; L83-H87 PolarHBondContact O-ND1 3.4Å; Q84-H87 PolarHBondContact O-N 3.24Å; H87-R92 WeakPolarHBondContact O-CA 3.44Å; H87-R92 PolarHBondContact O-N 3.17Å; H87-I93 HydrophobicContact CB-CG1 4.41Å; H87-I93 PolarHBondContact O-N 2.84Å; H87-I93 VanDerWaalsContact O-N 3.16Å; H87-F98 HydrophobicContact CB-CE1 4.44Å; H87-F98 HydrophobicContact CB-CZ 3.81Å; H87-F98 AromaticContact CD2-CE1 3.66Å; H87-F98 AromaticContact CD2-CZ 3.88Å; H87-Y140 PolarHBondContact O-OH 3.24Å
88A96.6Very high96Very high9 Ų962.4 Ų62.47%0.07433%0.328CS..Iπ-helixtrans-72-52.2-177.600000113.8Q84 K139 Y140Q84-A88 WeakPolarHBondContact O-CB 3.25Å; Q84-A88 PolarHBondContact O-N 3.07Å; A88-K139 HydrophobicContact CB-CB 3.77Å; A88-Y140 WeakPolarHBondContact CA-OH 3.15Å; A88-Y140 HydrophobicContact CB-CD2 3.79Å; A88-Y140 HydrophobicContact CB-CE1 4.36Å; A88-Y140 HydrophobicContact CB-CE2 3.45Å; A88-Y140 VanDerWaalsContact CB-CE2 3.45Å; A88-Y140 HydrophobicContact CB-CG 4.4Å; A88-Y140 PolarHBondContact N-OH 3.29Å
89Y96Very high96.1Very high127 Ų12764.8 Ų64.850%0.49833%0.33SS..Iπ-helixtrans-97.6-34.3-166.7-57.5-54.4000113.3T85 K139T85-Y89 HydrophobicContact CG2-CD2 3.95Å; T85-Y89 PolarHBondContact O-N 2.92Å; Y89-K139 HydrophobicContact CE2-CB 4.22Å; Y89-K139 HydrophobicContact CE2-CG 4.46Å; Y89-K139 PolarHBondContact OH-O 2.93Å
90Q95.3Very high96.4Very high141 Ų14164.1 Ų64.166%0.65932%0.324SS*.Iπ-helixtrans-92.8-55-177.7-57.7-176.51.300111.6L86L86-Q90 HydrophobicContact CD1-CB 4.22Å; L86-Q90 WeakPolarHBondContact O-CB 3.39Å; L86-Q90 PolarHBondContact O-N 3.38Å
91L95.1Very high96.5Very high85 Ų8565.5 Ų65.545%0.44533%0.331SS..Iπ-helixtrans-83-24.1-177-56.5-178.5000112.9L86 I93L86-L91 HydrophobicContact CD1-CD1 4.24Å; L86-L91 HydrophobicContact CD1-CD2 4.47Å; L86-L91 HydrophobicContact CD1-CG 4.05Å; L86-L91 HydrophobicContact CD2-CD1 4.44Å; L86-L91 HydrophobicContact CG-CD1 3.96Å; L86-L91 HydrophobicContact CG-CG 4.19Å; L86-L91 PolarHBondContact O-N 3.3Å; L91-I93 HydrophobicContact CB-CD1 3.77Å; L91-I93 HydrophobicContact CB-CG1 3.81Å; L91-I93 PolarHBondContact O-N 3.33Å
92R95.3Very high96.7Very high188 Ų18864.3 Ų64.371%0.70932%0.321SS*.  trans49.144.6-179-57.1-178.6179.8-165.8-0.5112.4H87 D94H87-R92 WeakPolarHBondContact O-CA 3.44Å; H87-R92 PolarHBondContact O-N 3.17Å; R92-D94 PolarHBondContact O-N 3.26Å
93I96.6Very high96.8Very high21 Ų2164.6 Ų64.611%0.10831%0.314CS..  trans-63.6131.5179.2-55.6-53.9000108.7Y42 H87 L91 P95 N97 F98 Y140Y42-I93 HydrophobicContact CD1-CD1 3.19Å; Y42-I93 HydrophobicContact CD2-CD1 4.27Å; Y42-I93 HydrophobicContact CE1-CD1 3.57Å; Y42-I93 HydrophobicContact CG-CD1 3.58Å; H87-I93 HydrophobicContact CB-CG1 4.41Å; H87-I93 PolarHBondContact O-N 2.84Å; H87-I93 VanDerWaalsContact O-N 3.16Å; L91-I93 HydrophobicContact CB-CD1 3.77Å; L91-I93 HydrophobicContact CB-CG1 3.81Å; L91-I93 PolarHBondContact O-N 3.33Å; I93-P95 WeakPolarHBondContact O-CD 3.35Å; I93-N97 HydrophobicContact CG2-CB 4.01Å; I93-F98 HydrophobicContact CB-CZ 4.26Å; I93-F98 HydrophobicContact CG2-CE1 4.49Å; I93-F98 HydrophobicContact CG2-CZ 4.25Å; I93-Y140 PolarHBondContact N-OH 3.41Å; I93-Y140 WeakPolarHBondContact O-CE1 3.42Å; I93-Y140 PolarHBondContact O-OH 2.74Å
94D96.5Very high96.9Very high76 Ų7662.2 Ų62.241%0.40630%0.302SS..  trans-63.2126.6172.6-176-54.5000108.9Y42 R92 T96 N97Y42-D94 PolarHBondContact OH-N 3.27Å; R92-D94 PolarHBondContact O-N 3.26Å; D94-T96 PolarHBondContact O-N 3Å; D94-T96 VanDerWaalsContact OD1-CB 3.3Å; D94-T96 WeakPolarHBondContact OD1-CB 3.49Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.38Å; D94-T96 PolarHBondContact OD1-N 3.03Å; D94-T96 PolarHBondContact OD1-OG1 2.87Å; D94-N97 WeakPolarHBondContact O-CB 3.39Å; D94-N97 PolarHBondContact O-N 3.26Å; D94-N97 PolarHBondContact O-ND2 3Å
95P95.7Very high97.1Very high42 Ų4262.1 Ų62.127%0.27330%0.301SS..THydrogen-bonded Turntrans-54.2-24.5-177.1-30.137.2000115.2I93 N97 F98 Y140I93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-N97 PolarHBondContact O-N 3.45Å; P95-F98 PolarHBondContact O-N 3.21Å; P95-Y140 HydrophobicContact CG-CD1 3.76Å; P95-Y140 HydrophobicContact CG-CD2 4.15Å; P95-Y140 HydrophobicContact CG-CE1 4.05Å; P95-Y140 HydrophobicContact CG-CE2 4.43Å; P95-Y140 HydrophobicContact CG-CG 3.77Å
96T96Very high97.2Very high79 Ų7959.6 Ų59.649%0.48529%0.286SS..Hα-helixtrans-61.3-31.9175.558.90000112.4D94 F98 K99 L100D94-T96 PolarHBondContact O-N 3Å; D94-T96 VanDerWaalsContact OD1-CB 3.3Å; D94-T96 WeakPolarHBondContact OD1-CB 3.49Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.38Å; D94-T96 PolarHBondContact OD1-N 3.03Å; D94-T96 PolarHBondContact OD1-OG1 2.87Å; T96-F98 VanDerWaalsContact C-N 3.29Å; T96-F98 PolarHBondContact O-N 3.48Å; T96-K99 WeakPolarHBondContact O-CB 3.36Å; T96-K99 PolarHBondContact O-N 3.18Å; T96-K99 VanDerWaalsContact O-N 3.09Å; T96-L100 PolarHBondContact O-N 3.42Å
97N97.9Very high97.3Very high25 Ų2559.3 Ų59.313%0.13429%0.286CS..Hα-helixtrans-67.5-26.9-178.6-64.6-51.7000113.1T39 Y42 I93 D94 P95 K99 L100 L101T39-N97 WeakPolarHBondContact CG2-OD1 3.24Å; Y42-N97 VanDerWaalsContact CE2-ND2 3.25Å; Y42-N97 WeakPolarHBondContact CE2-ND2 3.33Å; Y42-N97 PolarHBondContact OH-ND2 3.38Å; I93-N97 HydrophobicContact CG2-CB 4.01Å; D94-N97 WeakPolarHBondContact O-CB 3.39Å; D94-N97 PolarHBondContact O-N 3.26Å; D94-N97 PolarHBondContact O-ND2 3Å; P95-N97 PolarHBondContact O-N 3.45Å; N97-K99 VanDerWaalsContact C-N 3.25Å; N97-K99 PolarHBondContact O-N 3.44Å; N97-L100 PolarHBondContact O-N 3Å; N97-L101 PolarHBondContact O-N 3.42Å
98F98.1Very high97.4Very high14 Ų1457.5 Ų57.56%0.06128%0.278CS..Hα-helixtrans-62.7-35.8173.4-62.4-61.9000111.7H87 I93 P95 T96 L101 S102 A133 L136 S137 Y140H87-F98 HydrophobicContact CB-CE1 4.44Å; H87-F98 HydrophobicContact CB-CZ 3.81Å; H87-F98 AromaticContact CD2-CE1 3.66Å; H87-F98 AromaticContact CD2-CZ 3.88Å; I93-F98 HydrophobicContact CB-CZ 4.26Å; I93-F98 HydrophobicContact CG2-CE1 4.49Å; I93-F98 HydrophobicContact CG2-CZ 4.25Å; P95-F98 PolarHBondContact O-N 3.21Å; T96-F98 VanDerWaalsContact C-N 3.29Å; T96-F98 PolarHBondContact O-N 3.48Å; F98-L101 PolarHBondContact O-N 2.94Å; F98-S102 WeakPolarHBondContact O-CB 3.5Å; F98-S102 PolarHBondContact O-N 3.35Å; F98-S102 PolarHBondContact O-OG 3.28Å; F98-A133 HydrophobicContact CB-CB 3.72Å; F98-L136 HydrophobicContact CD1-CB 4.43Å; F98-L136 HydrophobicContact CD1-CD1 3.95Å; F98-L136 HydrophobicContact CE1-CB 4.15Å; F98-L136 HydrophobicContact CE1-CD1 3.82Å; F98-L136 HydrophobicContact CE2-CB 4.29Å; F98-L136 HydrophobicContact CZ-CB 4.07Å; F98-S137 VanDerWaalsContact CD2-OG 3.26Å; F98-S137 WeakPolarHBondContact CD2-OG 3.25Å; F98-Y140 HydrophobicContact CE2-CE2 4.37Å
99K96.8Very high97.5Very high150 Ų15057.1 Ų57.165%0.65227%0.274SS*.Hα-helixtrans-69.1-37.2176.1-60.3-178.6-178.4177.60111.6T96 N97 S102 H103T96-K99 WeakPolarHBondContact O-CB 3.36Å; T96-K99 PolarHBondContact O-N 3.18Å; T96-K99 VanDerWaalsContact O-N 3.09Å; N97-K99 VanDerWaalsContact C-N 3.25Å; N97-K99 PolarHBondContact O-N 3.44Å; K99-S102 PolarHBondContact O-N 3.21Å; K99-H103 PolarHBondContact O-N 3.42Å
100L98.5Very high97.6Very high43 Ų4353 Ų5323%0.22527%0.267CS..Hα-helixtrans-64.1-44.9176-57.2-177.9000111.1M32 Y36 T39 T96 N97 H103 C104M32-L100 HydrophobicContact CG-CB 4.47Å; Y36-L100 HydrophobicContact CD1-CD1 4.13Å; Y36-L100 HydrophobicContact CD1-CD2 4.02Å; Y36-L100 HydrophobicContact CD2-CB 3.98Å; Y36-L100 HydrophobicContact CD2-CD1 4.21Å; Y36-L100 HydrophobicContact CD2-CD2 4.25Å; Y36-L100 HydrophobicContact CD2-CG 4.38Å; Y36-L100 HydrophobicContact CE1-CD2 3.81Å; Y36-L100 HydrophobicContact CE2-CB 4.14Å; Y36-L100 HydrophobicContact CE2-CD2 4.05Å; Y36-L100 HydrophobicContact CG-CB 4.46Å; Y36-L100 HydrophobicContact CG-CD1 3.84Å; Y36-L100 HydrophobicContact CG-CD2 4.23Å; Y36-L100 HydrophobicContact CG-CG 4.4Å; T39-L100 HydrophobicContact CG2-CD1 4Å; T96-L100 PolarHBondContact O-N 3.42Å; N97-L100 PolarHBondContact O-N 3Å; L100-H103 PolarHBondContact O-N 3.05Å; L100-C104 PolarHBondContact O-N 3.1Å; L100-C104 PolarHBondContact O-SG 3.37Å
101L98.7Very high97.7Very high31 Ų3150 Ų5016%0.16226%0.261CS..Hα-helixtrans-62.9-44.7174.5-178.160.8000111.5L29 M32 I62 N97 F98 H103 C104 M105L29-L101 HydrophobicContact CD2-CD1 4.14Å; M32-L101 HydrophobicContact SD-CB 3.83Å; M32-L101 HydrophobicContact SD-CD1 4.15Å; I62-L101 HydrophobicContact CD1-CD2 4.3Å; I62-L101 HydrophobicContact CG2-CD2 4.24Å; N97-L101 PolarHBondContact O-N 3.42Å; F98-L101 PolarHBondContact O-N 2.94Å; L101-H103 VanDerWaalsContact C-N 3.32Å; L101-H103 PolarHBondContact O-N 2.85Å; L101-C104 PolarHBondContact O-N 3.41Å; L101-M105 WeakPolarHBondContact O-CB 3.4Å; L101-M105 PolarHBondContact O-N 2.93Å
102S98.6Very high97.8Very high15 Ų1550.9 Ų50.911%0.10526%0.259CS..Hα-helixtrans-57.2-44.3175.8-68.90000111.8F98 K99 M105 L106 L129F98-S102 WeakPolarHBondContact O-CB 3.5Å; F98-S102 PolarHBondContact O-N 3.35Å; F98-S102 PolarHBondContact O-OG 3.28Å; K99-S102 PolarHBondContact O-N 3.21Å; S102-M105 WeakPolarHBondContact O-CB 3.26Å; S102-M105 PolarHBondContact O-N 3.29Å; S102-L106 WeakPolarHBondContact O-CG 3.35Å; S102-L106 PolarHBondContact O-N 3.39Å; S102-L129 PolarHBondContact OG-O 3.14Å
103H98.7Very high97.9Very high97 Ų9742.5 Ų42.545%0.44923%0.228SC..Hα-helixtrans-63-47.3176.3179.364.6000112.1K99 L100 L101 M105 L106 V107K99-H103 PolarHBondContact O-N 3.42Å; L100-H103 PolarHBondContact O-N 3.05Å; L101-H103 VanDerWaalsContact C-N 3.32Å; L101-H103 PolarHBondContact O-N 2.85Å; H103-M105 VanDerWaalsContact C-N 3.26Å; H103-M105 PolarHBondContact O-N 2.79Å; H103-L106 WeakPolarHBondContact O-CB 3.36Å; H103-L106 PolarHBondContact O-N 3.11Å; H103-L106 VanDerWaalsContact O-N 3.13Å; H103-V107 WeakPolarHBondContact O-CG2 3.4Å; H103-V107 PolarHBondContact O-N 3.07Å
104C98.9Very high97.9Very high3 Ų343.6 Ų43.62%0.0224%0.244CC..Hα-helixtrans-62.3-36.4178.3-64.60000111.8A28 R31 M32 L100 L101 V107 T108A28-C104 WeakPolarHBondContact O-CB 3.47Å; R31-C104 HydrophobicContact CB-CB 4.08Å; M32-C104 WeakPolarHBondContact CA-SG 2.8Å; M32-C104 HydrophobicContact CB-CB 4.24Å; L100-C104 PolarHBondContact O-N 3.1Å; L100-C104 PolarHBondContact O-SG 3.37Å; L101-C104 PolarHBondContact O-N 3.41Å; C104-V107 PolarHBondContact O-N 3Å; C104-T108 PolarHBondContact O-N 3.13Å; C104-T108 PolarHBondContact O-OG1 3.03Å; C104-T108 VanDerWaalsContact O-OG1 3.08Å
105M98.9Very high98Very high2 Ų245.6 Ų45.61%0.0126%0.264CS..Hα-helixtrans-62.9-43.5173.6-172.461.569.400111.7W14 I24 A28 I62 V63 I66 L101 S102 H103 V107 T108 L109 L129W14-M105 HydrophobicContact CH2-CG 4.26Å; W14-M105 HydrophobicContact CH2-SD 4.05Å; I24-M105 HydrophobicContact CG2-CE 4.44Å; I24-M105 HydrophobicContact CG2-SD 3.58Å; I24-M105 VanDerWaalsContact CG2-SD 3.58Å; A28-M105 HydrophobicContact CB-CB 4.46Å; A28-M105 HydrophobicContact CB-CE 3.67Å; A28-M105 HydrophobicContact CB-SD 4.05Å; I62-M105 HydrophobicContact CG2-CE 4.46Å; V63-M105 HydrophobicContact CG2-CE 3.87Å; I66-M105 HydrophobicContact CD1-CE 4.08Å; L101-M105 WeakPolarHBondContact O-CB 3.4Å; L101-M105 PolarHBondContact O-N 2.93Å; S102-M105 WeakPolarHBondContact O-CB 3.26Å; S102-M105 PolarHBondContact O-N 3.29Å; H103-M105 VanDerWaalsContact C-N 3.26Å; H103-M105 PolarHBondContact O-N 2.79Å; M105-V107 VanDerWaalsContact C-N 3.32Å; M105-V107 PolarHBondContact O-N 3.5Å; M105-T108 PolarHBondContact O-N 3.2Å; M105-L109 HydrophobicContact CG-CD1 4.24Å; M105-L109 HydrophobicContact CG-CG 4.47Å; M105-L109 WeakPolarHBondContact O-CB 3.43Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.44Å; M105-L109 PolarHBondContact O-N 2.65Å; M105-L129 HydrophobicContact CB-CD1 4.12Å; M105-L129 HydrophobicContact CG-CD1 4.04Å
106L98.8Very high97.9Very high9 Ų948.7 Ų48.75%0.04728%0.275CS..Hα-helixtrans-60.4-41.7175.1-68.5170.9000112S102 H103 L109 A110 F117 M125 D126 L129S102-L106 WeakPolarHBondContact O-CG 3.35Å; S102-L106 PolarHBondContact O-N 3.39Å; H103-L106 WeakPolarHBondContact O-CB 3.36Å; H103-L106 PolarHBondContact O-N 3.11Å; H103-L106 VanDerWaalsContact O-N 3.13Å; L106-L109 PolarHBondContact O-N 3.07Å; L106-A110 WeakPolarHBondContact O-CB 3.17Å; L106-A110 PolarHBondContact O-N 3.45Å; L106-F117 HydrophobicContact CD2-CZ 4.01Å; L106-M125 HydrophobicContact CD2-CB 3.79Å; L106-M125 HydrophobicContact CD2-CG 3.63Å; L106-D126 HydrophobicContact CD1-CB 3.92Å; L106-D126 HydrophobicContact CD2-CB 4.4Å; L106-L129 HydrophobicContact CD2-CD1 3.87Å; L106-L129 HydrophobicContact CG-CD1 3.96Å
107V98.8Very high98Very high51 Ų5146.1 Ų46.131%0.30926%0.257SS..Hα-helixtrans-63.7-45.9175.9176.80000110.9H103 C104 M105 L109 A110 C111H103-V107 WeakPolarHBondContact O-CG2 3.4Å; H103-V107 PolarHBondContact O-N 3.07Å; C104-V107 PolarHBondContact O-N 3Å; M105-V107 VanDerWaalsContact C-N 3.32Å; M105-V107 PolarHBondContact O-N 3.5Å; V107-L109 PolarHBondContact O-N 2.63Å; V107-A110 WeakPolarHBondContact O-CB 3.48Å; V107-A110 PolarHBondContact O-N 2.94Å; V107-C111 PolarHBondContact O-N 3.36Å; V107-C111 PolarHBondContact O-SG 3.11Å
108T98.8Very high98Very high0 Ų047.8 Ų47.80%027%0.268CS..Hα-helixtrans-58-48.3175.4-62.10000111.2I24 D27 A28 R31 C104 M105 A110 C111 Y112I24-T108 HydrophobicContact CB-CG2 4.39Å; I24-T108 HydrophobicContact CG2-CG2 3.95Å; D27-T108 HydrophobicContact CB-CG2 3.99Å; D27-T108 PolarHBondContact OD2-OG1 3.28Å; A28-T108 WeakPolarHBondContact CA-OG1 3.38Å; A28-T108 PolarHBondContact N-OG1 3.32Å; R31-T108 WeakPolarHBondContact CD-OG1 3.4Å; R31-T108 PolarHBondContact NE-OG1 3.36Å; C104-T108 PolarHBondContact O-N 3.13Å; C104-T108 PolarHBondContact O-OG1 3.03Å; C104-T108 VanDerWaalsContact O-OG1 3.08Å; M105-T108 PolarHBondContact O-N 3.2Å; T108-A110 VanDerWaalsContact C-N 3.3Å; T108-A110 PolarHBondContact O-N 3.05Å; T108-C111 PolarHBondContact O-N 3.06Å; T108-C111 VanDerWaalsContact O-N 3.13Å; T108-Y112 HydrophobicContact CG2-CD2 3.68Å; T108-Y112 HydrophobicContact CG2-CE2 3.78Å; T108-Y112 WeakPolarHBondContact O-CD2 3.33Å; T108-Y112 PolarHBondContact O-N 3.41Å
109L98.6Very high98Very high0 Ų052.5 Ų52.50%030%0.3CS..Hα-helixtrans-60.3-40.5178.4-69.5173.9000111.9W14 L17 I24 M105 L106 V107 C111 Y112 L113 F117 M125W14-L109 HydrophobicContact CH2-CD1 4.01Å; W14-L109 HydrophobicContact CH2-CD2 3.98Å; W14-L109 HydrophobicContact CH2-CG 4.44Å; W14-L109 HydrophobicContact CZ2-CD1 3.99Å; W14-L109 HydrophobicContact CZ3-CD2 4.26Å; L17-L109 HydrophobicContact CD1-CD2 3.32Å; I24-L109 HydrophobicContact CG2-CD2 4.49Å; M105-L109 HydrophobicContact CG-CD1 4.24Å; M105-L109 HydrophobicContact CG-CG 4.47Å; M105-L109 WeakPolarHBondContact O-CB 3.43Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.44Å; M105-L109 PolarHBondContact O-N 2.65Å; L106-L109 PolarHBondContact O-N 3.07Å; V107-L109 PolarHBondContact O-N 2.63Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-C111 PolarHBondContact O-N 2.97Å; L109-Y112 PolarHBondContact O-N 2.87Å; L109-L113 VanDerWaalsContact O-CB 3.25Å; L109-L113 WeakPolarHBondContact O-CB 3.35Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.01Å; L109-F117 HydrophobicContact CB-CD2 4.5Å; L109-F117 HydrophobicContact CB-CE2 4.13Å; L109-F117 HydrophobicContact CB-CZ 4.22Å; L109-M125 HydrophobicContact CD1-CE 4.08Å; L109-M125 HydrophobicContact CD1-CG 3.64Å; L109-M125 HydrophobicContact CD1-SD 4.09Å
110A98.6Very high98.1Very high41 Ų4150 Ų5034%0.33930%0.298SS..Hα-helixtrans-61-41.817500000112.1L106 V107 T108 G114 F117L106-A110 WeakPolarHBondContact O-CB 3.17Å; L106-A110 PolarHBondContact O-N 3.45Å; V107-A110 WeakPolarHBondContact O-CB 3.48Å; V107-A110 PolarHBondContact O-N 2.94Å; T108-A110 VanDerWaalsContact C-N 3.3Å; T108-A110 PolarHBondContact O-N 3.05Å; A110-G114 WeakPolarHBondContact O-CA 3.3Å; A110-G114 PolarHBondContact O-N 3.45Å; A110-F117 HydrophobicContact CB-CD1 3.61Å; A110-F117 HydrophobicContact CB-CE1 4.07Å; A110-F117 HydrophobicContact CB-CG 4.45Å
111C98.2Very high98.1Very high79 Ų7948 Ų4853%0.53429%0.288SS..Hα-helixtrans-66.2-41.2175.6-68.60000112.7V107 T108 L109V107-C111 PolarHBondContact O-N 3.36Å; V107-C111 PolarHBondContact O-SG 3.11Å; T108-C111 PolarHBondContact O-N 3.06Å; T108-C111 VanDerWaalsContact O-N 3.13Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-C111 PolarHBondContact O-N 2.97Å
112Y97.1Very high98.1Very high102 Ų10250.8 Ų50.840%0.430%0.299SS..Hα-helixtrans-73.3-40.7-177.8-92.9-99000113.4D23 I24 T108 L109D23-Y112 WeakPolarHBondContact CB-OH 3.47Å; I24-Y112 HydrophobicContact CG1-CD1 4.09Å; I24-Y112 HydrophobicContact CG1-CD2 4.29Å; I24-Y112 HydrophobicContact CG1-CE1 4Å; I24-Y112 HydrophobicContact CG1-CE2 4.2Å; I24-Y112 HydrophobicContact CG1-CG 4.23Å; T108-Y112 HydrophobicContact CG2-CD2 3.68Å; T108-Y112 HydrophobicContact CG2-CE2 3.78Å; T108-Y112 WeakPolarHBondContact O-CD2 3.33Å; T108-Y112 PolarHBondContact O-N 3.41Å; L109-Y112 PolarHBondContact O-N 2.87Å
113L97Very high98.1Very high12 Ų1252.1 Ų52.16%0.06331%0.311CS..Hα-helixtrans-91.9-17.7-174.3-66.4176.8000112.7I13 L17 L109 S115 E116 F117I13-L113 HydrophobicContact CG2-CD1 4.15Å; L17-L113 HydrophobicContact CD1-CD1 4.43Å; L17-L113 HydrophobicContact CD1-CD2 4.48Å; L17-L113 HydrophobicContact CD2-CD2 4.06Å; L109-L113 VanDerWaalsContact O-CB 3.25Å; L109-L113 WeakPolarHBondContact O-CB 3.35Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.01Å; L113-S115 PolarHBondContact O-N 3.29Å; L113-E116 HydrophobicContact CB-CB 4.3Å; L113-E116 WeakPolarHBondContact O-CB 3.3Å; L113-E116 PolarHBondContact O-N 3.33Å; L113-F117 HydrophobicContact CB-CB 3.92Å; L113-F117 HydrophobicContact CD1-CB 4.45Å; L113-F117 HydrophobicContact CD1-CD2 3.79Å; L113-F117 HydrophobicContact CD1-CG 4.49Å
114G97.7Very high98Very high44 Ų4447.5 Ų47.545%0.45429%0.29SS..G310 helixtrans53.2-124.6179.300000112A110 E116 F117A110-G114 WeakPolarHBondContact O-CA 3.3Å; A110-G114 PolarHBondContact O-N 3.45Å; G114-E116 PolarHBondContact O-N 3.2Å; G114-F117 PolarHBondContact O-N 3.14Å; G114-F117 VanDerWaalsContact O-N 3.09Å
115S96.8Very high98Very high118 Ų11847.4 Ų47.483%0.82529%0.289SS*.G310 helixtrans-63.1-19.8179.453.60000114.4L113 F117L113-S115 PolarHBondContact O-N 3.29Å; S115-F117 VanDerWaalsContact C-N 3.28Å
116E95Very high98Very high108 Ų10850.6 Ų50.651%0.50531%0.307SS..G310 helixtrans-74.8-19.3176.5-59.4-175.3166.900112.6R16 L113 G114 T118R16-E116 IonicContact CZ-OE2 3.87Å; R16-E116 IonicContact NH1-OE2 2.83Å; R16-E116 PolarHBondContact NH1-OE2 2.99Å; R16-E116 IonicContact NH2-OE2 3.74Å; R16-E116 PolarHBondContact NH2-OE2 3.26Å; L113-E116 HydrophobicContact CB-CB 4.3Å; L113-E116 WeakPolarHBondContact O-CB 3.3Å; L113-E116 PolarHBondContact O-N 3.33Å; G114-E116 PolarHBondContact O-N 3.2Å; E116-T118 PolarHBondContact O-N 3.36Å
117F98.1Very high98Very high24 Ų2454.6 Ų54.611%0.10532%0.324CS..SBendtrans-79.562.4172.7-156.6-123.9000111.3L106 L109 A110 L113 G114 S115 A121 H122 M125L106-F117 HydrophobicContact CD2-CZ 4.01Å; L109-F117 HydrophobicContact CB-CD2 4.5Å; L109-F117 HydrophobicContact CB-CE2 4.13Å; L109-F117 HydrophobicContact CB-CZ 4.22Å; A110-F117 HydrophobicContact CB-CD1 3.61Å; A110-F117 HydrophobicContact CB-CE1 4.07Å; A110-F117 HydrophobicContact CB-CG 4.45Å; L113-F117 HydrophobicContact CB-CB 3.92Å; L113-F117 HydrophobicContact CD1-CB 4.45Å; L113-F117 HydrophobicContact CD1-CD2 3.79Å; L113-F117 HydrophobicContact CD1-CG 4.49Å; G114-F117 PolarHBondContact O-N 3.14Å; G114-F117 VanDerWaalsContact O-N 3.09Å; S115-F117 VanDerWaalsContact C-N 3.28Å; F117-A121 HydrophobicContact CD2-CB 4.07Å; F117-A121 HydrophobicContact CE2-CB 4.42Å; F117-H122 HydrophobicContact CD1-CB 4.12Å; F117-H122 HydrophobicContact CE1-CB 3.64Å; F117-H122 AromaticContact CE1-CD2 3.93Å; F117-H122 AromaticContact CE1-CG 3.69Å; F117-H122 HydrophobicContact CZ-CB 3.88Å; F117-M125 HydrophobicContact CE2-CB 4.23Å; F117-M125 HydrophobicContact CZ-CB 4.29Å
118T98.3Very high98Very high60 Ų6052.2 Ų52.237%0.36831%0.309SS..  trans-57.8161.7179.966.30000111.7E116 V120 A121 H122E116-T118 PolarHBondContact O-N 3.36Å; T118-V120 PolarHBondContact O-N 2.91Å; T118-V120 VanDerWaalsContact O-N 3.11Å; T118-A121 WeakPolarHBondContact O-CB 3.41Å; T118-A121 PolarHBondContact O-N 3.18Å; T118-A121 PolarHBondContact OG1-N 3.05Å; T118-H122 PolarHBondContact O-N 3.07Å
119P98.3Very high97.9Very high113 Ų11352.3 Ų52.373%0.73431%0.309SS*.Hα-helixtrans-53.8-33.8174.5-2835.9000113.7A123P119-A123 WeakPolarHBondContact O-CB 3.45Å; P119-A123 PolarHBondContact O-N 3Å
120V97.6Very high97.9Very high98 Ų9855.1 Ų55.159%0.59433%0.329SS*.Hα-helixtrans-69.1-44.3175.6176.90000111.2L9 T118 A123 A124L9-V120 HydrophobicContact CD2-CG1 4.3Å; T118-V120 PolarHBondContact O-N 2.91Å; T118-V120 VanDerWaalsContact O-N 3.11Å; V120-A123 PolarHBondContact O-N 2.82Å; V120-A124 WeakPolarHBondContact O-CB 3.33Å; V120-A124 PolarHBondContact O-N 3.17Å
121A98.1Very high97.8Very high2 Ų254.9 Ų54.92%0.01733%0.327CS..Hα-helixtrans-63.3-43.1176.500000111.6L9 I13 F117 T118 A124 M125L9-A121 HydrophobicContact CD2-CB 4.13Å; I13-A121 HydrophobicContact CD1-CB 4.17Å; F117-A121 HydrophobicContact CD2-CB 4.07Å; F117-A121 HydrophobicContact CE2-CB 4.42Å; T118-A121 WeakPolarHBondContact O-CB 3.41Å; T118-A121 PolarHBondContact O-N 3.18Å; T118-A121 PolarHBondContact OG1-N 3.05Å; A121-A124 PolarHBondContact O-N 2.67Å; A121-M125 WeakPolarHBondContact O-CB 3.48Å; A121-M125 PolarHBondContact O-N 3.23Å
122H98.6Very high97.8Very high88 Ų8851.9 Ų51.941%0.40731%0.305SS..Hα-helixtrans-59.6-53.6175-175.3-179.6000111.3F117 T118 A124 M125 D126F117-H122 HydrophobicContact CD1-CB 4.12Å; F117-H122 HydrophobicContact CE1-CB 3.64Å; F117-H122 AromaticContact CE1-CD2 3.93Å; F117-H122 AromaticContact CE1-CG 3.69Å; F117-H122 HydrophobicContact CZ-CB 3.88Å; T118-H122 PolarHBondContact O-N 3.07Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.25Å; H122-M125 PolarHBondContact O-N 3.16Å; H122-D126 WeakPolarHBondContact O-CB 3.04Å; H122-D126 PolarHBondContact O-N 2.84Å
123A98.4Very high97.8Very high43 Ų4347.3 Ų47.336%0.35529%0.289SS..Hα-helixtrans-60.8-36.9-179.500000112.9P119 V120 K127P119-A123 WeakPolarHBondContact O-CB 3.45Å; P119-A123 PolarHBondContact O-N 3Å; V120-A123 PolarHBondContact O-N 2.82Å; A123-K127 WeakPolarHBondContact O-CD 3.47Å; A123-K127 VanDerWaalsContact O-CG 3.24Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 2.77Å
124A98.4Very high97.7Very high1 Ų149 Ų491%0.00830%0.304CS..Hα-helixtrans-65.8-47.8175.500000111.4E6 L9 I10 V120 A121 H122 K127 F128E6-A124 HydrophobicContact CB-CB 3.91Å; E6-A124 HydrophobicContact CG-CB 3.83Å; L9-A124 HydrophobicContact CD2-CB 4.42Å; I10-A124 HydrophobicContact CD1-CB 4.11Å; I10-A124 HydrophobicContact CG1-CB 4.04Å; V120-A124 WeakPolarHBondContact O-CB 3.33Å; V120-A124 PolarHBondContact O-N 3.17Å; A121-A124 PolarHBondContact O-N 2.67Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.25Å; A124-K127 PolarHBondContact O-N 2.62Å; A124-F128 WeakPolarHBondContact O-CB 3.47Å; A124-F128 PolarHBondContact O-N 3.28Å
125M98.5Very high97.6Very high0 Ų047.4 Ų47.40%029%0.286CS..Hα-helixtrans-65.4-40.7-178.6-166.662.270.200112I10 I13 W14 L106 L109 F117 A121 H122 F128 L129I10-M125 HydrophobicContact CG2-CE 4.44Å; I10-M125 HydrophobicContact CG2-SD 4.49Å; I13-M125 HydrophobicContact CB-CE 4.32Å; I13-M125 HydrophobicContact CD1-CE 4.36Å; I13-M125 HydrophobicContact CG2-CE 3.83Å; W14-M125 HydrophobicContact CZ2-CE 4.05Å; W14-M125 HydrophobicContact CZ2-SD 3.67Å; W14-M125 PolarHBondContact NE1-SD 2.74Å; L106-M125 HydrophobicContact CD2-CB 3.79Å; L106-M125 HydrophobicContact CD2-CG 3.63Å; L109-M125 HydrophobicContact CD1-CE 4.08Å; L109-M125 HydrophobicContact CD1-CG 3.64Å; L109-M125 HydrophobicContact CD1-SD 4.09Å; F117-M125 HydrophobicContact CE2-CB 4.23Å; F117-M125 HydrophobicContact CZ-CB 4.29Å; A121-M125 WeakPolarHBondContact O-CB 3.48Å; A121-M125 PolarHBondContact O-N 3.23Å; H122-M125 PolarHBondContact O-N 3.16Å; M125-F128 PolarHBondContact O-N 3.19Å; M125-F128 HydrophobicContact SD-CD1 3.9Å; M125-L129 HydrophobicContact CG-CD1 3.96Å; M125-L129 HydrophobicContact CG-CG 4.28Å; M125-L129 WeakPolarHBondContact O-CB 3.48Å; M125-L129 WeakPolarHBondContact O-CG 3.28Å; M125-L129 PolarHBondContact O-N 3.46Å; M125-L129 HydrophobicContact SD-CG 4.4Å
126D98.6Very high97.5Very high70 Ų7042.3 Ų42.337%0.37425%0.249SC..Hα-helixtrans-62.5-46.5177.2178.455000111.9L106 H122 F128 L129 S130L106-D126 HydrophobicContact CD1-CB 3.92Å; L106-D126 HydrophobicContact CD2-CB 4.4Å; H122-D126 WeakPolarHBondContact O-CB 3.04Å; H122-D126 PolarHBondContact O-N 2.84Å; D126-F128 VanDerWaalsContact C-N 3.26Å; D126-F128 PolarHBondContact O-N 3.37Å; D126-L129 PolarHBondContact O-N 3.05Å; D126-S130 WeakPolarHBondContact O-CB 3.39Å; D126-S130 PolarHBondContact O-N 2.9Å; D126-S130 PolarHBondContact O-OG 3.48Å
127K98.3Very high97.5Very high93 Ų9337.7 Ų37.740%0.40423%0.228SC..Hα-helixtrans-57.7-41.1173.5-73.2170.4-167.9174.40111.9L2 E6 A123 A124 A131L2-K127 HydrophobicContact CD2-CB 3.73Å; L2-K127 HydrophobicContact CD2-CD 4.11Å; L2-K127 HydrophobicContact CG-CB 4.2Å; E6-K127 IonicContact OE1-NZ 2.72Å; E6-K127 PolarHBondContact OE1-NZ 2.86Å; A123-K127 WeakPolarHBondContact O-CD 3.47Å; A123-K127 VanDerWaalsContact O-CG 3.24Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 2.77Å; A124-K127 PolarHBondContact O-N 2.62Å; K127-A131 PolarHBondContact O-N 2.83Å; K127-A131 VanDerWaalsContact O-N 3.09Å
128F98.4Very high97.3Very high0 Ų040.2 Ų40.20%024%0.241CC..Hα-helixtrans-68.5-51.3179.6169.7-118.9000112.6L2 I10 W14 I66 A70 I73 L76 A124 M125 D126 S130 A131 F132L2-F128 HydrophobicContact CD1-CB 3.96Å; L2-F128 HydrophobicContact CD1-CD2 4.49Å; I10-F128 HydrophobicContact CD1-CB 3.75Å; I10-F128 HydrophobicContact CD1-CG 4.31Å; I10-F128 HydrophobicContact CG1-CB 4.47Å; I10-F128 HydrophobicContact CG2-CB 4.46Å; I10-F128 HydrophobicContact CG2-CD1 3.71Å; I10-F128 HydrophobicContact CG2-CE1 4.03Å; I10-F128 HydrophobicContact CG2-CG 3.98Å; W14-F128 AromaticContact NE1-CD1 3.96Å; W14-F128 AromaticContact NE1-CE1 3.56Å; I66-F128 HydrophobicContact CG2-CE1 3.56Å; I66-F128 HydrophobicContact CG2-CZ 4.16Å; I66-F128 WeakPolarHBondContact O-CZ 3.26Å; A70-F128 HydrophobicContact CB-CE1 4.15Å; A70-F128 HydrophobicContact CB-CE2 4.47Å; A70-F128 HydrophobicContact CB-CZ 3.85Å; I73-F128 HydrophobicContact CD1-CD2 3.98Å; I73-F128 HydrophobicContact CD1-CE2 4.34Å; I73-F128 HydrophobicContact CG1-CD2 3.83Å; I73-F128 HydrophobicContact CG1-CE2 3.8Å; L76-F128 HydrophobicContact CD1-CE2 4.32Å; L76-F128 HydrophobicContact CD2-CE2 4.37Å; A124-F128 WeakPolarHBondContact O-CB 3.47Å; A124-F128 PolarHBondContact O-N 3.28Å; M125-F128 PolarHBondContact O-N 3.19Å; M125-F128 HydrophobicContact SD-CD1 3.9Å; D126-F128 VanDerWaalsContact C-N 3.26Å; D126-F128 PolarHBondContact O-N 3.37Å; F128-S130 PolarHBondContact O-N 3.37Å; F128-A131 WeakPolarHBondContact O-CB 3.45Å; F128-A131 PolarHBondContact O-N 2.88Å; F128-A131 VanDerWaalsContact O-N 3.09Å; F128-F132 HydrophobicContact CZ-CD2 4.33Å; F128-F132 WeakPolarHBondContact O-CB 3.4Å; F128-F132 PolarHBondContact O-N 2.91Å
129L98.4Very high97Very high2 Ų242 Ų421%0.0124%0.243CC..Hα-helixtrans-64.3-31.6178.5-68.6176.3000111.8I66 S102 M105 L106 M125 D126 F132 A133I66-L129 HydrophobicContact CD1-CD2 4.12Å; I66-L129 HydrophobicContact CG1-CD2 4.47Å; I66-L129 HydrophobicContact CG2-CD2 3.92Å; S102-L129 PolarHBondContact OG-O 3.14Å; M105-L129 HydrophobicContact CB-CD1 4.12Å; M105-L129 HydrophobicContact CG-CD1 4.04Å; L106-L129 HydrophobicContact CD2-CD1 3.87Å; L106-L129 HydrophobicContact CG-CD1 3.96Å; M125-L129 HydrophobicContact CG-CD1 3.96Å; M125-L129 HydrophobicContact CG-CG 4.28Å; M125-L129 WeakPolarHBondContact O-CB 3.48Å; M125-L129 WeakPolarHBondContact O-CG 3.28Å; M125-L129 PolarHBondContact O-N 3.46Å; M125-L129 HydrophobicContact SD-CG 4.4Å; D126-L129 PolarHBondContact O-N 3.05Å; L129-F132 PolarHBondContact O-N 3.33Å; L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.23Å
130S97.3Very high96.7Very high59 Ų5940.1 Ų40.141%0.41322%0.222SC..Hα-helixtrans-64-44.1170.9-70.30000112.2D126 F128 A134D126-S130 WeakPolarHBondContact O-CB 3.39Å; D126-S130 PolarHBondContact O-N 2.9Å; D126-S130 PolarHBondContact O-OG 3.48Å; F128-S130 PolarHBondContact O-N 3.37Å; S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.46Å; S130-A134 PolarHBondContact O-N 3.25Å
131A96.8Very high95.6Very high36 Ų3648.1 Ų48.130%0.29824%0.242SC..Hα-helixtrans-65.7-42.7175.200000111.6L76 K127 F128 A134 V135L76-A131 HydrophobicContact CD1-CB 4.39Å; K127-A131 PolarHBondContact O-N 2.83Å; K127-A131 VanDerWaalsContact O-N 3.09Å; F128-A131 WeakPolarHBondContact O-CB 3.45Å; F128-A131 PolarHBondContact O-N 2.88Å; F128-A131 VanDerWaalsContact O-N 3.09Å; A131-A134 PolarHBondContact O-N 3.26Å; A131-V135 WeakPolarHBondContact O-CG2 3.48Å; A131-V135 PolarHBondContact O-N 2.94Å
132F97.3Very high95.4Very high16 Ų1650.4 Ų50.47%0.0725%0.253CS..Hα-helixtrans-59.1-48.3176.5-169.6-84.3000111.7A65 I66 L76 L80 F128 L129 V135 L136A65-F132 HydrophobicContact CB-CZ 4.37Å; I66-F132 HydrophobicContact CG1-CD1 4.46Å; I66-F132 HydrophobicContact CG1-CE1 4Å; I66-F132 HydrophobicContact CG1-CE2 4.18Å; I66-F132 HydrophobicContact CG1-CZ 3.86Å; L76-F132 HydrophobicContact CD2-CD2 3.93Å; L76-F132 HydrophobicContact CD2-CE2 4.47Å; L80-F132 HydrophobicContact CD1-CD1 4.44Å; L80-F132 HydrophobicContact CD1-CD2 3.72Å; L80-F132 HydrophobicContact CD1-CE1 4.41Å; L80-F132 HydrophobicContact CD1-CE2 3.67Å; L80-F132 HydrophobicContact CD1-CG 4.11Å; L80-F132 HydrophobicContact CD1-CZ 4.03Å; L80-F132 HydrophobicContact CD2-CD2 4.46Å; L80-F132 HydrophobicContact CD2-CE2 3.58Å; L80-F132 HydrophobicContact CD2-CZ 3.61Å; L80-F132 HydrophobicContact CG-CE2 4.2Å; L80-F132 HydrophobicContact CG-CZ 4.49Å; F128-F132 HydrophobicContact CZ-CD2 4.33Å; F128-F132 WeakPolarHBondContact O-CB 3.4Å; F128-F132 PolarHBondContact O-N 2.91Å; L129-F132 PolarHBondContact O-N 3.33Å; F132-V135 PolarHBondContact O-N 3.24Å; F132-L136 HydrophobicContact CD1-CD1 3.86Å; F132-L136 HydrophobicContact CD1-CG 4.36Å; F132-L136 HydrophobicContact CE1-CD1 3.51Å; F132-L136 HydrophobicContact CE1-CG 4.17Å; F132-L136 HydrophobicContact CZ-CD1 4.48Å; F132-L136 PolarHBondContact O-N 3.39Å
133A97Very high95.3Very high7 Ų748.4 Ų48.46%0.05825%0.245CC..Hα-helixtrans-63.4-41176.300000112.5F98 L129 L136 S137F98-A133 HydrophobicContact CB-CB 3.72Å; L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.23Å; A133-L136 PolarHBondContact O-N 3.03Å; A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.46Å; A133-S137 VanDerWaalsContact O-N 3.11Å; A133-S137 PolarHBondContact O-OG 3.02Å
134A95.5Very high95.1Very high46 Ų4648.7 Ų48.738%0.3824%0.239SC..Hα-helixtrans-61.1-46176.400000111.4S130 A131 S137 E138S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.46Å; S130-A134 PolarHBondContact O-N 3.25Å; A131-A134 PolarHBondContact O-N 3.26Å; A134-S137 CarbonylContact O-C 3.5Å; A134-S137 PolarHBondContact O-N 3.49Å; A134-S137 VanDerWaalsContact O-N 3.1Å; A134-E138 PolarHBondContact O-N 2.93Å
135V95.8Very high94.9Very high12 Ų1251.5 Ų51.57%0.07325%0.252CS..Hα-helixtrans-61.4-47.8176.7171.80000110.8L76 L80 Q84 A131 F132 S137 E138L76-V135 HydrophobicContact CB-CG2 4.15Å; L80-V135 HydrophobicContact CB-CG1 4.01Å; L80-V135 HydrophobicContact CD1-CB 4.16Å; L80-V135 HydrophobicContact CD1-CG1 3.79Å; L80-V135 HydrophobicContact CG-CG1 4.45Å; Q84-V135 WeakPolarHBondContact CG-O 3.23Å; Q84-V135 PolarHBondContact NE2-O 3.5Å; A131-V135 WeakPolarHBondContact O-CG2 3.48Å; A131-V135 PolarHBondContact O-N 2.94Å; F132-V135 PolarHBondContact O-N 3.24Å; V135-S137 PolarHBondContact O-N 2.89Å; V135-S137 VanDerWaalsContact O-N 3.07Å; V135-E138 WeakPolarHBondContact O-CB 3.48Å; V135-E138 PolarHBondContact O-N 2.9Å
136L95.6Very high94.7Very high10 Ų1054.8 Ų54.85%0.05227%0.268CS..Hα-helixtrans-57-27.1175.9-76.8179.7000113.5L80 L83 F98 F132 A133L80-L136 HydrophobicContact CB-CD2 4.3Å; L80-L136 HydrophobicContact CD1-CD2 4.4Å; L80-L136 HydrophobicContact CD1-CG 4.33Å; L83-L136 HydrophobicContact CB-CD2 3.64Å; F98-L136 HydrophobicContact CD1-CB 4.43Å; F98-L136 HydrophobicContact CD1-CD1 3.95Å; F98-L136 HydrophobicContact CE1-CB 4.15Å; F98-L136 HydrophobicContact CE1-CD1 3.82Å; F98-L136 HydrophobicContact CE2-CB 4.29Å; F98-L136 HydrophobicContact CZ-CB 4.07Å; F132-L136 HydrophobicContact CD1-CD1 3.86Å; F132-L136 HydrophobicContact CD1-CG 4.36Å; F132-L136 HydrophobicContact CE1-CD1 3.51Å; F132-L136 HydrophobicContact CE1-CG 4.17Å; F132-L136 HydrophobicContact CZ-CD1 4.48Å; F132-L136 PolarHBondContact O-N 3.39Å; A133-L136 PolarHBondContact O-N 3.03Å
137S95.2Very high94.4Very high11 Ų1153.7 Ų53.78%0.07726%0.261CS..THydrogen-bonded Turntrans-91.6-2.8-178.9-52.50000114.2F98 A133 A134 V135 K139 Y140F98-S137 VanDerWaalsContact CD2-OG 3.26Å; F98-S137 WeakPolarHBondContact CD2-OG 3.25Å; A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.46Å; A133-S137 VanDerWaalsContact O-N 3.11Å; A133-S137 PolarHBondContact O-OG 3.02Å; A134-S137 CarbonylContact O-C 3.5Å; A134-S137 PolarHBondContact O-N 3.49Å; A134-S137 VanDerWaalsContact O-N 3.1Å; V135-S137 PolarHBondContact O-N 2.89Å; V135-S137 VanDerWaalsContact O-N 3.07Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact O-N 3.41Å; S137-Y140 WeakPolarHBondContact O-CD2 3.48Å; S137-Y140 PolarHBondContact O-N 3.13Å
138E93.3Very high94.1Very high78 Ų7850.9 Ų50.936%0.36425%0.25SS..G310 helixtrans-60.2-35.9-173.3-81.6175.217600113.2T77 Q84 A134 V135 Y140 R141T77-E138 WeakPolarHBondContact CG2-OE2 3.41Å; Q84-E138 PolarHBondContact NE2-OE2 3.35Å; A134-E138 PolarHBondContact O-N 2.93Å; V135-E138 WeakPolarHBondContact O-CB 3.48Å; V135-E138 PolarHBondContact O-N 2.9Å; E138-Y140 PolarHBondContact O-N 3.25Å; E138-R141 PolarHBondContact O-N 3.41Å
139K92.2Very high93.8Very high96 Ų9654.8 Ų54.842%0.41727%0.27SS..G310 helixtrans-75.8-2.7-176.9-65.7-64.8-176-176.60115Q84 A88 Y89 S137Q84-K139 HydrophobicContact CB-CG 3.82Å; A88-K139 HydrophobicContact CB-CB 3.77Å; Y89-K139 HydrophobicContact CE2-CB 4.22Å; Y89-K139 HydrophobicContact CE2-CG 4.46Å; Y89-K139 PolarHBondContact OH-O 2.93Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact O-N 3.41Å
140Y90.4Very high93.4Very high74 Ų7459.3 Ų59.329%0.2929%0.291SS..G310 helixtrans-91.4-7.3175-65.2-104.4000112.9H87 A88 I93 P95 F98 S137 E138H87-Y140 PolarHBondContact O-OH 3.24Å; A88-Y140 WeakPolarHBondContact CA-OH 3.15Å; A88-Y140 HydrophobicContact CB-CD2 3.79Å; A88-Y140 HydrophobicContact CB-CE1 4.36Å; A88-Y140 HydrophobicContact CB-CE2 3.45Å; A88-Y140 VanDerWaalsContact CB-CE2 3.45Å; A88-Y140 HydrophobicContact CB-CG 4.4Å; A88-Y140 PolarHBondContact N-OH 3.29Å; I93-Y140 PolarHBondContact N-OH 3.41Å; I93-Y140 WeakPolarHBondContact O-CE1 3.42Å; I93-Y140 PolarHBondContact O-OH 2.74Å; P95-Y140 HydrophobicContact CG-CD1 3.76Å; P95-Y140 HydrophobicContact CG-CD2 4.15Å; P95-Y140 HydrophobicContact CG-CE1 4.05Å; P95-Y140 HydrophobicContact CG-CE2 4.43Å; P95-Y140 HydrophobicContact CG-CG 3.77Å; F98-Y140 HydrophobicContact CE2-CE2 4.37Å; S137-Y140 WeakPolarHBondContact O-CD2 3.48Å; S137-Y140 PolarHBondContact O-N 3.13Å; E138-Y140 PolarHBondContact O-N 3.25Å
141R74.9Confident93.1Very high266 Ų26659.3 Ų59.3100%1.00428%0.28SS*.  trans-101.10-178.2-62.6-178.6-178.8-178.90.6111.4E138E138-R141 PolarHBondContact O-N 3.41Å

Retrieved 141 of 141 residues in 158.9 ms (Link to these results)

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