A0A087XSY6_POEFO Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A087XSY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M65.3Low70.8Confident197 Ų19783.6 Ų83.697%0.9743%0.429SS*.  0-77.40-54.2-36.5-176.400112.4S3 W4 I5M1-S3 PolarHBondContact O-N 2.69Å; M1-W4 WeakPolarHBondContact O-CB 3.28Å; M1-W4 PolarHBondContact O-N 2.96Å; M1-W4 VanDerWaalsContact O-N 3.14Å; M1-I5 PolarHBondContact O-N 2.63Å
2V69.6Low70.9Confident108 Ų10883.8 Ų83.866%0.65543%0.43SS*.Hα-helixtrans-54.6-51.2-169.6-176.40000114.2W4 I5 I6V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 3.43Å; V2-I5 PolarHBondContact O-N 2.94Å; V2-I5 VanDerWaalsContact O-N 3.15Å; V2-I6 HydrophobicContact CG1-CD1 3.73Å; V2-I6 HydrophobicContact CG1-CG1 4.28Å; V2-I6 WeakPolarHBondContact O-CG1 3.2Å; V2-I6 PolarHBondContact O-N 3.25Å
3S68.1Low70.9Confident56 Ų5680.3 Ų80.339%0.39242%0.422SS..Hα-helixtrans-56.6-40.5178.71680000113.3M1 I5 I6 S7M1-S3 PolarHBondContact O-N 2.69Å; S3-I5 PolarHBondContact O-N 2.79Å; S3-I6 PolarHBondContact O-N 3.16Å; S3-S7 WeakPolarHBondContact O-CB 3.27Å; S3-S7 PolarHBondContact O-N 3.28Å
4W71.9Confident70.8Confident122 Ų12285.8 Ų85.846%0.46244%0.441SS..Hα-helixtrans-63-42.9176.9179.378.9000112.4M1 V2 S7 R8 D56M1-W4 WeakPolarHBondContact O-CB 3.28Å; M1-W4 PolarHBondContact O-N 2.96Å; M1-W4 VanDerWaalsContact O-N 3.14Å; V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 3.43Å; W4-S7 PolarHBondContact O-N 2.93Å; W4-R8 WeakPolarHBondContact O-CB 3.33Å; W4-R8 PolarHBondContact O-N 2.93Å; W4-D56 PolarHBondContact NE1-OD2 3.09Å
5I75.1Confident70.5Confident90 Ų9080.1 Ų80.146%0.46241%0.412SS..Hα-helixtrans-67-40.2176.2-100160000111.7M1 V2 S3 R8 I9M1-I5 PolarHBondContact O-N 2.63Å; V2-I5 PolarHBondContact O-N 2.94Å; V2-I5 VanDerWaalsContact O-N 3.15Å; S3-I5 PolarHBondContact O-N 2.79Å; I5-R8 PolarHBondContact O-N 2.86Å; I5-I9 HydrophobicContact CG2-CD1 3.98Å; I5-I9 WeakPolarHBondContact O-CB 3.32Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.39Å; I5-I9 PolarHBondContact O-N 2.96Å
6I74.8Confident70.6Confident95 Ų9577.8 Ų77.849%0.48740%0.403SS..Hα-helixtrans-63.7-46.6174.9-67.4174.1000110.2V2 S3 R8 I9 V10V2-I6 HydrophobicContact CG1-CD1 3.73Å; V2-I6 HydrophobicContact CG1-CG1 4.28Å; V2-I6 WeakPolarHBondContact O-CG1 3.2Å; V2-I6 PolarHBondContact O-N 3.25Å; S3-I6 PolarHBondContact O-N 3.16Å; I6-R8 PolarHBondContact O-N 3.39Å; I6-I9 PolarHBondContact O-N 3.4Å; I6-V10 HydrophobicContact CG2-CG2 4.22Å; I6-V10 WeakPolarHBondContact O-CB 3.29Å; I6-V10 VanDerWaalsContact O-CG2 3.28Å; I6-V10 WeakPolarHBondContact O-CG2 3.4Å; I6-V10 PolarHBondContact O-N 2.86Å
7S68.1Low70.7Confident21 Ų2181 Ų8115%0.14742%0.42CS..Hα-helixtrans-54.7-50173.9179.40000111.4S3 W4 I9 V10 V11S3-S7 WeakPolarHBondContact O-CB 3.27Å; S3-S7 PolarHBondContact O-N 3.28Å; W4-S7 PolarHBondContact O-N 2.93Å; S7-I9 PolarHBondContact O-N 3.28Å; S7-V10 PolarHBondContact O-N 3.15Å; S7-V11 WeakPolarHBondContact O-CB 3.38Å; S7-V11 WeakPolarHBondContact O-CG2 3.17Å; S7-V11 PolarHBondContact O-N 2.68Å
8R71.3Confident70.5Confident66 Ų6685.3 Ų85.325%0.24943%0.431CS..Hα-helixtrans-61.8-41.9-179.4-157.374.1175.6125.3-3.9111.8W4 I5 I6 L12 E52W4-R8 WeakPolarHBondContact O-CB 3.33Å; W4-R8 PolarHBondContact O-N 2.93Å; I5-R8 PolarHBondContact O-N 2.86Å; I6-R8 PolarHBondContact O-N 3.39Å; R8-L12 WeakPolarHBondContact O-CB 3.27Å; R8-L12 PolarHBondContact O-N 3.4Å; R8-E52 IonicContact CZ-OE1 2.74Å; R8-E52 IonicContact CZ-OE2 2.75Å; R8-E52 IonicContact NH1-OE1 2.66Å; R8-E52 PolarHBondContact NH1-OE1 3.32Å; R8-E52 IonicContact NH1-OE2 3.67Å; R8-E52 PolarHBondContact NH1-OE2 3.24Å
9I75.7Confident70.4Confident110 Ų11080.8 Ų80.856%0.56441%0.409SS*.Hα-helixtrans-68.5-39.9177.1-70169.5000111.5I5 I6 S7 L12 A13I5-I9 HydrophobicContact CG2-CD1 3.98Å; I5-I9 WeakPolarHBondContact O-CB 3.32Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.39Å; I5-I9 PolarHBondContact O-N 2.96Å; I6-I9 PolarHBondContact O-N 3.4Å; S7-I9 PolarHBondContact O-N 3.28Å; I9-L12 PolarHBondContact O-N 2.83Å; I9-A13 WeakPolarHBondContact O-CB 3.32Å; I9-A13 PolarHBondContact O-N 3.36Å
10V69.6Low70.5Confident51 Ų5179.1 Ų79.131%0.30941%0.407SS..Hα-helixtrans-65.6-45.6176.5167.50000110.7I6 S7 A13 F14I6-V10 HydrophobicContact CG2-CG2 4.22Å; I6-V10 WeakPolarHBondContact O-CB 3.29Å; I6-V10 VanDerWaalsContact O-CG2 3.28Å; I6-V10 WeakPolarHBondContact O-CG2 3.4Å; I6-V10 PolarHBondContact O-N 2.86Å; S7-V10 PolarHBondContact O-N 3.15Å; V10-A13 PolarHBondContact O-N 3.17Å; V10-F14 HydrophobicContact CG1-CD2 3.86Å; V10-F14 HydrophobicContact CG1-CE2 4.22Å; V10-F14 WeakPolarHBondContact O-CD2 3.22Å; V10-F14 PolarHBondContact O-N 2.81Å
11V69.3Low70.8Confident4 Ų482.3 Ų82.32%0.02442%0.415CS..Hα-helixtrans-61.7-44.3175.3170.30000111.2S7 G15 F48 V73 L77S7-V11 WeakPolarHBondContact O-CB 3.38Å; S7-V11 WeakPolarHBondContact O-CG2 3.17Å; S7-V11 PolarHBondContact O-N 2.68Å; V11-G15 VanDerWaalsContact O-CA 3.25Å; V11-G15 WeakPolarHBondContact O-CA 3.22Å; V11-G15 PolarHBondContact O-N 2.86Å; V11-F48 HydrophobicContact CG1-CE1 4.45Å; V11-V73 HydrophobicContact CG2-CG1 3.52Å; V11-L77 HydrophobicContact CB-CD2 4.5Å; V11-L77 HydrophobicContact CG1-CD2 4.09Å
12L71.9Confident70.8Confident85 Ų8574 Ų7445%0.44538%0.376SS..Hα-helixtrans-62.8-48.9173.6-110.270000111.9R8 I9 T16R8-L12 WeakPolarHBondContact O-CB 3.27Å; R8-L12 PolarHBondContact O-N 3.4Å; I9-L12 PolarHBondContact O-N 2.83Å; L12-T16 VanDerWaalsContact O-CB 3.25Å; L12-T16 WeakPolarHBondContact O-CB 3.33Å; L12-T16 WeakPolarHBondContact O-CG2 3.43Å; L12-T16 PolarHBondContact O-N 3.01Å; L12-T16 PolarHBondContact O-OG1 2.71Å
13A71Confident70.8Confident39 Ų3969.8 Ų69.832%0.32235%0.352SS..Hα-helixtrans-65.2-56-174.700000111.5I9 V10 G15 T16 L17I9-A13 WeakPolarHBondContact O-CB 3.32Å; I9-A13 PolarHBondContact O-N 3.36Å; V10-A13 PolarHBondContact O-N 3.17Å; A13-G15 VanDerWaalsContact C-N 3.31Å; A13-G15 PolarHBondContact O-N 3.19Å; A13-T16 PolarHBondContact O-N 3.15Å; A13-L17 WeakPolarHBondContact O-CB 3.42Å; A13-L17 PolarHBondContact O-N 3.12Å
14F69.6Low71.1Confident157 Ų15774.4 Ų74.469%0.68936%0.362SS*.Hα-helixtrans-69.7-30.8179.9-72.3-89.3000112.2V10V10-F14 HydrophobicContact CG1-CD2 3.86Å; V10-F14 HydrophobicContact CG1-CE2 4.22Å; V10-F14 WeakPolarHBondContact O-CD2 3.22Å; V10-F14 PolarHBondContact O-N 2.81Å
15G66.4Low70.8Confident1 Ų174.3 Ų74.31%0.0137%0.365CS..Hα-helixtrans-81.7-11.8177.200000116.1V11 A13 P19 Y41 F45V11-G15 VanDerWaalsContact O-CA 3.25Å; V11-G15 WeakPolarHBondContact O-CA 3.22Å; V11-G15 PolarHBondContact O-N 2.86Å; A13-G15 VanDerWaalsContact C-N 3.31Å; A13-G15 PolarHBondContact O-N 3.19Å; G15-P19 VanDerWaalsContact O-CG 3.23Å; G15-P19 WeakPolarHBondContact O-CG 3.37Å; G15-Y41 PolarHBondContact O-OH 3.37Å; G15-F45 WeakPolarHBondContact O-CE2 3.48Å
16T72.1Confident70.4Confident43 Ų4370.3 Ų70.326%0.26435%0.345SS..Hα-helixtrans-123.7-34.317867.40000114.2L12 A13 P19 A20 W42 F45L12-T16 VanDerWaalsContact O-CB 3.25Å; L12-T16 WeakPolarHBondContact O-CB 3.33Å; L12-T16 WeakPolarHBondContact O-CG2 3.43Å; L12-T16 PolarHBondContact O-N 3.01Å; L12-T16 PolarHBondContact O-OG1 2.71Å; A13-T16 PolarHBondContact O-N 3.15Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.47Å; T16-A20 WeakPolarHBondContact O-CA 3.4Å; T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.49Å; T16-W42 HydrophobicContact CG2-CZ3 4.5Å; T16-F45 HydrophobicContact CG2-CE1 3.86Å; T16-F45 HydrophobicContact CG2-CZ 3.68Å
17L71.6Confident70Confident132 Ų13270.5 Ų70.569%0.69135%0.35SS*.Hα-helixtrans-70.8-42.9-172.4-150.774.6000112.1A13 Y21A13-L17 WeakPolarHBondContact O-CB 3.42Å; A13-L17 PolarHBondContact O-N 3.12Å; L17-Y21 PolarHBondContact O-N 3.24Å
18Y67.1Low70.1Confident158 Ų15877.5 Ų77.562%0.6238%0.378SS*.Hα-helixtrans-64.3-50.3174.9-175.2-92.6000113.5S22Y18-S22 WeakPolarHBondContact O-CB 3.44Å; Y18-S22 PolarHBondContact O-N 3.07Å; Y18-S22 PolarHBondContact O-OG 2.96Å
19P68.6Low69.9Low0 Ų077.8 Ų77.80%039%0.387CS..Hα-helixtrans-70.2-28.7175.227.9-36000113.2G15 T16 S22 S23 W38 Y41 W42G15-P19 VanDerWaalsContact O-CG 3.23Å; G15-P19 WeakPolarHBondContact O-CG 3.37Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.47Å; P19-S22 PolarHBondContact O-N 3.43Å; P19-S23 WeakPolarHBondContact O-CB 3.3Å; P19-S23 PolarHBondContact O-N 3.46Å; P19-S23 PolarHBondContact O-OG 2.79Å; P19-W38 HydrophobicContact CB-CE3 3.88Å; P19-W38 HydrophobicContact CB-CZ3 3.61Å; P19-Y41 HydrophobicContact CB-CD1 3.82Å; P19-Y41 HydrophobicContact CB-CE1 3.49Å; P19-Y41 VanDerWaalsContact CB-CE1 3.49Å; P19-Y41 HydrophobicContact CG-CD1 4.32Å; P19-Y41 HydrophobicContact CG-CE1 3.5Å; P19-W42 HydrophobicContact CB-CZ2 4.22Å; P19-W42 HydrophobicContact CG-CH2 4.28Å; P19-W42 HydrophobicContact CG-CZ2 4.45Å
20A73.9Confident69.3Low46 Ų4681.4 Ų81.438%0.3840%0.399SS..Hα-helixtrans-66.9-49.3175.200000111.8T16 S22 S23 Y24T16-A20 WeakPolarHBondContact O-CA 3.4Å; T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.49Å; A20-S22 PolarHBondContact O-N 2.78Å; A20-S23 PolarHBondContact O-N 3.15Å; A20-Y24 WeakPolarHBondContact O-CB 3.5Å; A20-Y24 PolarHBondContact O-N 2.85Å
21Y75.1Confident69.1Low148 Ų14882.5 Ų82.558%0.5840%0.403SS*.Hα-helixtrans-57-41.4174.2175.9-96.6000111.7L17 K25L17-Y21 PolarHBondContact O-N 3.24Å; Y21-K25 HydrophobicContact CE1-CD 4.34Å; Y21-K25 PolarHBondContact O-N 3.2Å
22S67.1Low69.1Low21 Ų2187.4 Ų87.415%0.14743%0.433CS..Hα-helixtrans-76.2-32.1-178-52.90000113.1Y18 P19 A20 K25 A26 W38Y18-S22 WeakPolarHBondContact O-CB 3.44Å; Y18-S22 PolarHBondContact O-N 3.07Å; Y18-S22 PolarHBondContact O-OG 2.96Å; P19-S22 PolarHBondContact O-N 3.43Å; A20-S22 PolarHBondContact O-N 2.78Å; S22-K25 PolarHBondContact O-N 2.91Å; S22-A26 PolarHBondContact O-N 3.47Å; S22-W38 VanDerWaalsContact CB-CH2 3.49Å
23S69.4Low68.9Low21 Ų2191.7 Ų91.715%0.14745%0.448CS..Hα-helixtrans-68-42.2170.9-62.20000111.2P19 A20 K25 A26 V27 W42P19-S23 WeakPolarHBondContact O-CB 3.3Å; P19-S23 PolarHBondContact O-N 3.46Å; P19-S23 PolarHBondContact O-OG 2.79Å; A20-S23 PolarHBondContact O-N 3.15Å; S23-K25 VanDerWaalsContact C-N 3.29Å; S23-K25 PolarHBondContact O-N 2.83Å; S23-A26 WeakPolarHBondContact O-CB 3.27Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-A26 VanDerWaalsContact O-N 3.17Å; S23-V27 WeakPolarHBondContact O-CG2 3.25Å; S23-V27 PolarHBondContact O-N 3.43Å; S23-W42 PolarHBondContact OG-NE1 3.07Å
24Y73.6Confident68.7Low153 Ų15392.8 Ų92.860%0.645%0.446SS*.Hα-helixtrans-57.3-43.8171.6171.4-96.4000111.3A20 V27 K28A20-Y24 WeakPolarHBondContact O-CB 3.5Å; A20-Y24 PolarHBondContact O-N 2.85Å; Y24-V27 PolarHBondContact O-N 3.47Å; Y24-K28 PolarHBondContact O-N 3.5Å
25K65.5Low68.8Low120 Ų12091.4 Ų91.452%0.52244%0.437SS..Hα-helixtrans-62.9-42.1175.4-151.9170.6-172.1172.80111.9Y21 S22 S23 K28 T29Y21-K25 HydrophobicContact CE1-CD 4.34Å; Y21-K25 PolarHBondContact O-N 3.2Å; S22-K25 PolarHBondContact O-N 2.91Å; S23-K25 VanDerWaalsContact C-N 3.29Å; S23-K25 PolarHBondContact O-N 2.83Å; K25-K28 PolarHBondContact O-N 2.94Å; K25-T29 WeakPolarHBondContact O-CG2 3.28Å; K25-T29 PolarHBondContact O-N 2.79Å; K25-T29 VanDerWaalsContact O-N 3.12Å; K25-T29 PolarHBondContact O-OG1 3.34Å
26A66Low68.9Low5 Ų595.6 Ų95.64%0.04146%0.463CS..Hα-helixtrans-61.3-47.4175.300000112.7S22 S23 K28 T29 K30 E34S22-A26 PolarHBondContact O-N 3.47Å; S23-A26 WeakPolarHBondContact O-CB 3.27Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-A26 VanDerWaalsContact O-N 3.17Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.85Å; A26-T29 PolarHBondContact O-N 2.84Å; A26-T29 VanDerWaalsContact O-N 3.15Å; A26-T29 PolarHBondContact O-OG1 2.76Å; A26-K30 PolarHBondContact O-N 2.96Å; A26-K30 VanDerWaalsContact O-N 3.15Å; A26-E34 HydrophobicContact CB-CB 3.68Å; A26-E34 HydrophobicContact CB-CG 4.37Å
27V67.5Low68.6Low100 Ų10098.9 Ų98.961%0.60647%0.473SS*.Hα-helixtrans-57.8-46.6175.6170.60000110.6S23 Y24 T29 K30S23-V27 WeakPolarHBondContact O-CG2 3.25Å; S23-V27 PolarHBondContact O-N 3.43Å; Y24-V27 PolarHBondContact O-N 3.47Å; V27-T29 VanDerWaalsContact C-N 3.27Å; V27-T29 PolarHBondContact O-N 3.11Å; V27-K30 PolarHBondContact O-N 2.9Å; V27-K30 VanDerWaalsContact O-N 3.13Å
28K69.2Low68.8Low167 Ų16794.9 Ų94.973%0.72645%0.449SS*.Hα-helixtrans-60.9-32.9177.7-173.3170.1-178.5173.30113.3Y24 K25 A26Y24-K28 PolarHBondContact O-N 3.5Å; K25-K28 PolarHBondContact O-N 2.94Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.85Å
29T67Low69Low72 Ų7291.3 Ų91.344%0.44244%0.439SS..Hα-helixtrans-84.1-9.3177.456.10000115K25 A26 V27 N31K25-T29 WeakPolarHBondContact O-CG2 3.28Å; K25-T29 PolarHBondContact O-N 2.79Å; K25-T29 VanDerWaalsContact O-N 3.12Å; K25-T29 PolarHBondContact O-OG1 3.34Å; A26-T29 PolarHBondContact O-N 2.84Å; A26-T29 VanDerWaalsContact O-N 3.15Å; A26-T29 PolarHBondContact O-OG1 2.76Å; V27-T29 VanDerWaalsContact C-N 3.27Å; V27-T29 PolarHBondContact O-N 3.11Å; T29-N31 PolarHBondContact O-N 3.35Å
30K64.8Low68.9Low186 Ų18696.2 Ų96.281%0.80946%0.463SS*.THydrogen-bonded Turntrans52.718.1-169.7-63-172.9176.2-176.70114.8A26 V27 V32A26-K30 PolarHBondContact O-N 2.96Å; A26-K30 VanDerWaalsContact O-N 3.15Å; V27-K30 PolarHBondContact O-N 2.9Å; V27-K30 VanDerWaalsContact O-N 3.13Å; K30-V32 PolarHBondContact O-N 3.45Å
31N64.9Low68.7Low75 Ų7596.3 Ų96.340%0.40145%0.454SS..  trans-71.296.3179.7-82.2-4.1000111.2T29 K33 E34 Y35T29-N31 PolarHBondContact O-N 3.35Å; N31-K33 PolarHBondContact O-N 2.86Å; N31-K33 VanDerWaalsContact O-N 3.14Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 PolarHBondContact ND2-OE2 3.38Å; N31-E34 WeakPolarHBondContact O-CA 3.36Å; N31-E34 PolarHBondContact O-N 3.3Å; N31-Y35 PolarHBondContact O-N 2.9Å
32V68.1Low68.9Low106 Ų10693.5 Ų93.564%0.64244%0.442SS*.Hα-helixtrans-51.9-37.9173.8-175.50000111.4K30 E34 Y35 V36K30-V32 PolarHBondContact O-N 3.45Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 2.9Å; V32-Y35 PolarHBondContact O-N 3.37Å; V32-V36 HydrophobicContact CG1-CG2 4.46Å; V32-V36 WeakPolarHBondContact O-CG2 3.22Å; V32-V36 PolarHBondContact O-N 3.48Å
33K67.6Low69.1Low176 Ų17695.7 Ų95.777%0.76545%0.452SS*.Hα-helixtrans-67.9-21.3176.7-67.7-179.3-179.6175.10114.3N31 K37N31-K33 PolarHBondContact O-N 2.86Å; N31-K33 VanDerWaalsContact O-N 3.14Å; K33-K37 WeakPolarHBondContact O-CG 3.23Å; K33-K37 PolarHBondContact O-NZ 2.86Å
34E67.2Low69.1Low61 Ų6196.5 Ų96.529%0.28546%0.456SS..Hα-helixtrans-83.3-44.8167.3-102.761.9-95.600110.6A26 N31 V32 V36 K37 W38A26-E34 HydrophobicContact CB-CB 3.68Å; A26-E34 HydrophobicContact CB-CG 4.37Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 PolarHBondContact ND2-OE2 3.38Å; N31-E34 WeakPolarHBondContact O-CA 3.36Å; N31-E34 PolarHBondContact O-N 3.3Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 2.9Å; E34-V36 VanDerWaalsContact C-N 3.3Å; E34-V36 PolarHBondContact O-N 2.89Å; E34-K37 WeakPolarHBondContact O-CA 3.32Å; E34-K37 WeakPolarHBondContact O-CB 3.19Å; E34-K37 PolarHBondContact O-N 3.18Å; E34-K37 IonicContact OE1-NZ 2.66Å; E34-K37 PolarHBondContact OE1-NZ 3.33Å; E34-W38 PolarHBondContact O-N 3.21Å
35Y72.1Confident68.9Low128 Ų12890.6 Ų90.650%0.50243%0.433SS..Hα-helixtrans-54.8-43.9-179.1-177.3-96.3000112.3N31 V32 K37 W38 M39N31-Y35 PolarHBondContact O-N 2.9Å; V32-Y35 PolarHBondContact O-N 3.37Å; Y35-K37 VanDerWaalsContact C-N 3.35Å; Y35-K37 PolarHBondContact O-N 3.46Å; Y35-W38 PolarHBondContact O-N 2.89Å; Y35-M39 HydrophobicContact CE1-CE 3.87Å; Y35-M39 PolarHBondContact O-N 3.5Å; Y35-M39 VanDerWaalsContact OH-CE 3.24Å; Y35-M39 WeakPolarHBondContact OH-CE 3.47Å
36V69.1Low69.3Low90 Ų9087.7 Ų87.755%0.54543%0.431SS..Hα-helixtrans-63-37175.7173.70000112.4V32 E34 M40V32-V36 HydrophobicContact CG1-CG2 4.46Å; V32-V36 WeakPolarHBondContact O-CG2 3.22Å; V32-V36 PolarHBondContact O-N 3.48Å; E34-V36 VanDerWaalsContact C-N 3.3Å; E34-V36 PolarHBondContact O-N 2.89Å; V36-M40 WeakPolarHBondContact O-CB 3.23Å; V36-M40 PolarHBondContact O-N 3.48Å
37K65.7Low69.5Low112 Ų11290.3 Ų90.349%0.48744%0.444SS..Hα-helixtrans-66.5-40.3174.2-63.6-174.6-159.278.50111.5K33 E34 Y35 M40 Y41K33-K37 WeakPolarHBondContact O-CG 3.23Å; K33-K37 PolarHBondContact O-NZ 2.86Å; E34-K37 WeakPolarHBondContact O-CA 3.32Å; E34-K37 WeakPolarHBondContact O-CB 3.19Å; E34-K37 PolarHBondContact O-N 3.18Å; E34-K37 IonicContact OE1-NZ 2.66Å; E34-K37 PolarHBondContact OE1-NZ 3.33Å; Y35-K37 VanDerWaalsContact C-N 3.35Å; Y35-K37 PolarHBondContact O-N 3.46Å; K37-M40 PolarHBondContact O-N 2.85Å; K37-Y41 PolarHBondContact O-N 3.32Å
38W75.3Confident69.6Low47 Ų4786.7 Ų86.718%0.17842%0.421CS..Hα-helixtrans-68.2-41.4176.7-69.7116.3000112.1P19 S22 E34 Y35 M40 Y41 W42P19-W38 HydrophobicContact CB-CE3 3.88Å; P19-W38 HydrophobicContact CB-CZ3 3.61Å; S22-W38 VanDerWaalsContact CB-CH2 3.49Å; E34-W38 PolarHBondContact O-N 3.21Å; Y35-W38 PolarHBondContact O-N 2.89Å; W38-M40 PolarHBondContact O-N 3.41Å; W38-Y41 HydrophobicContact CE3-CD1 4.4Å; W38-Y41 HydrophobicContact CE3-CG 4.32Å; W38-Y41 HydrophobicContact CZ3-CG 4.32Å; W38-Y41 WeakPolarHBondContact O-CB 3.33Å; W38-Y41 PolarHBondContact O-N 2.9Å; W38-Y41 VanDerWaalsContact O-N 3.15Å; W38-W42 PolarHBondContact O-N 3.5Å
39M71.3Confident69.8Low84 Ų8480.2 Ų80.241%0.41440%0.396SS..Hα-helixtrans-58.6-46.6173.3-170.863.876.700111.4Y35 Y41 W42 I43Y35-M39 HydrophobicContact CE1-CE 3.87Å; Y35-M39 PolarHBondContact O-N 3.5Å; Y35-M39 VanDerWaalsContact OH-CE 3.24Å; Y35-M39 WeakPolarHBondContact OH-CE 3.47Å; M39-Y41 VanDerWaalsContact C-N 3.3Å; M39-Y41 PolarHBondContact O-N 2.91Å; M39-W42 PolarHBondContact O-N 2.9Å; M39-W42 VanDerWaalsContact O-N 3.17Å; M39-I43 HydrophobicContact CG-CD1 4.25Å; M39-I43 WeakPolarHBondContact O-CG1 3.34Å; M39-I43 PolarHBondContact O-N 2.91Å
40M66.2Low70.1Confident102 Ų10280.7 Ų80.750%0.50240%0.399SS..Hα-helixtrans-60.8-38.2175.4-167.7-17873.900112.1V36 K37 W38 V44V36-M40 WeakPolarHBondContact O-CB 3.23Å; V36-M40 PolarHBondContact O-N 3.48Å; K37-M40 PolarHBondContact O-N 2.85Å; W38-M40 PolarHBondContact O-N 3.41Å; M40-V44 WeakPolarHBondContact O-CG2 3.15Å; M40-V44 PolarHBondContact O-N 3.45Å
41Y70.3Confident70.3Confident49 Ų4974.1 Ų74.119%0.19238%0.379CS..Hα-helixtrans-63.3-46.6172.3175.8-84.7000112.3G15 P19 K37 W38 M39 I43 V44 F45G15-Y41 PolarHBondContact O-OH 3.37Å; P19-Y41 HydrophobicContact CB-CD1 3.82Å; P19-Y41 HydrophobicContact CB-CE1 3.49Å; P19-Y41 VanDerWaalsContact CB-CE1 3.49Å; P19-Y41 HydrophobicContact CG-CD1 4.32Å; P19-Y41 HydrophobicContact CG-CE1 3.5Å; K37-Y41 PolarHBondContact O-N 3.32Å; W38-Y41 HydrophobicContact CE3-CD1 4.4Å; W38-Y41 HydrophobicContact CE3-CG 4.32Å; W38-Y41 HydrophobicContact CZ3-CG 4.32Å; W38-Y41 WeakPolarHBondContact O-CB 3.33Å; W38-Y41 PolarHBondContact O-N 2.9Å; W38-Y41 VanDerWaalsContact O-N 3.15Å; M39-Y41 VanDerWaalsContact C-N 3.3Å; M39-Y41 PolarHBondContact O-N 2.91Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 2.95Å; Y41-V44 PolarHBondContact O-N 2.86Å; Y41-V44 VanDerWaalsContact O-N 3.15Å; Y41-F45 HydrophobicContact CE1-CB 4.13Å; Y41-F45 WeakPolarHBondContact O-CB 3.25Å; Y41-F45 PolarHBondContact O-N 3.41Å
42W78.6Confident70.8Confident88 Ų8871 Ų7133%0.33336%0.362SS..Hα-helixtrans-62-37.2-179.5-73.7117.2000112.5T16 P19 S23 W38 M39 F45 A46T16-W42 HydrophobicContact CG2-CZ3 4.5Å; P19-W42 HydrophobicContact CB-CZ2 4.22Å; P19-W42 HydrophobicContact CG-CH2 4.28Å; P19-W42 HydrophobicContact CG-CZ2 4.45Å; S23-W42 PolarHBondContact OG-NE1 3.07Å; W38-W42 PolarHBondContact O-N 3.5Å; M39-W42 PolarHBondContact O-N 2.9Å; M39-W42 VanDerWaalsContact O-N 3.17Å; W42-F45 HydrophobicContact CE3-CD1 4.1Å; W42-F45 HydrophobicContact CZ3-CD1 4.11Å; W42-F45 HydrophobicContact CZ3-CE1 4.41Å; W42-F45 PolarHBondContact O-N 2.9Å; W42-A46 PolarHBondContact O-N 3.49Å
43I71Confident71Confident67 Ų6769.5 Ų69.534%0.34435%0.354SS..Hα-helixtrans-63.7-44.3173.7-65.4163000111M39 Y41 F45 A46 L47 L96M39-I43 HydrophobicContact CG-CD1 4.25Å; M39-I43 WeakPolarHBondContact O-CG1 3.34Å; M39-I43 PolarHBondContact O-N 2.91Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 2.95Å; I43-F45 VanDerWaalsContact C-N 3.35Å; I43-F45 PolarHBondContact O-N 3.47Å; I43-A46 PolarHBondContact O-N 2.84Å; I43-L47 PolarHBondContact O-N 2.83Å; I43-L47 VanDerWaalsContact O-N 3.17Å; I43-L96 HydrophobicContact CG2-CD1 3.84Å; I43-L96 HydrophobicContact CG2-CD2 4.17Å
44V70.3Confident71.3Confident39 Ų3965 Ų6524%0.23634%0.341CS..Hα-helixtrans-62.9-41.4175173.30000111.5M40 Y41 L47 F48 Y88M40-V44 WeakPolarHBondContact O-CG2 3.15Å; M40-V44 PolarHBondContact O-N 3.45Å; Y41-V44 PolarHBondContact O-N 2.86Å; Y41-V44 VanDerWaalsContact O-N 3.15Å; V44-L47 PolarHBondContact O-N 3.45Å; V44-F48 WeakPolarHBondContact O-CB 3.23Å; V44-F48 PolarHBondContact O-N 3.26Å; V44-Y88 HydrophobicContact CG2-CD2 3.51Å; V44-Y88 HydrophobicContact CG2-CE2 3.38Å
45F70.4Confident71.4Confident29 Ų2964.1 Ų64.113%0.12734%0.34CS..Hα-helixtrans-64.8-39.5178.4-177.9-104.4000112.5G15 T16 Y41 W42 I43 F48 S49 L77G15-F45 WeakPolarHBondContact O-CE2 3.48Å; T16-F45 HydrophobicContact CG2-CE1 3.86Å; T16-F45 HydrophobicContact CG2-CZ 3.68Å; Y41-F45 HydrophobicContact CE1-CB 4.13Å; Y41-F45 WeakPolarHBondContact O-CB 3.25Å; Y41-F45 PolarHBondContact O-N 3.41Å; W42-F45 HydrophobicContact CE3-CD1 4.1Å; W42-F45 HydrophobicContact CZ3-CD1 4.11Å; W42-F45 HydrophobicContact CZ3-CE1 4.41Å; W42-F45 PolarHBondContact O-N 2.9Å; I43-F45 VanDerWaalsContact C-N 3.35Å; I43-F45 PolarHBondContact O-N 3.47Å; F45-F48 PolarHBondContact O-N 3.36Å; F45-S49 WeakPolarHBondContact O-CB 3.37Å; F45-S49 PolarHBondContact O-N 2.93Å; F45-L77 HydrophobicContact CD2-CD1 4.02Å; F45-L77 HydrophobicContact CE2-CD1 4.08Å
46A73.8Confident71.4Confident58 Ų5859.6 Ų59.648%0.47932%0.324SS..Hα-helixtrans-64.5-44.5176.100000112.6W42 I43 F48 S49 T50W42-A46 PolarHBondContact O-N 3.49Å; I43-A46 PolarHBondContact O-N 2.84Å; A46-F48 VanDerWaalsContact C-N 3.32Å; A46-S49 PolarHBondContact O-N 3.28Å; A46-T50 PolarHBondContact O-N 3.19Å; A46-T50 PolarHBondContact O-OG1 2.71Å
47L68.9Low71.6Confident60 Ų6061.6 Ų61.631%0.31433%0.331SS..Hα-helixtrans-66.2-34.2174.2-69.5176000112.2I43 V44 T50 A51 V92 L96I43-L47 PolarHBondContact O-N 2.83Å; I43-L47 VanDerWaalsContact O-N 3.17Å; V44-L47 PolarHBondContact O-N 3.45Å; L47-T50 WeakPolarHBondContact CA-OG1 3.29Å; L47-T50 PolarHBondContact O-OG1 3.49Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 2.96Å; L47-V92 HydrophobicContact CD1-CB 4.41Å; L47-V92 HydrophobicContact CD1-CG1 3.65Å; L47-V92 HydrophobicContact CD1-CG2 4.06Å; L47-L96 HydrophobicContact CD1-CD1 4.02Å
48F71.1Confident71.8Confident25 Ų2562.3 Ų62.311%0.1134%0.34CS..Hα-helixtrans-66.2-47.9174.4-176.8-92.2000111.8V11 V44 F45 A46 T50 A51 E52 V73 L76 L77V11-F48 HydrophobicContact CG1-CE1 4.45Å; V44-F48 WeakPolarHBondContact O-CB 3.23Å; V44-F48 PolarHBondContact O-N 3.26Å; F45-F48 PolarHBondContact O-N 3.36Å; A46-F48 VanDerWaalsContact C-N 3.32Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 2.9Å; F48-A51 PolarHBondContact O-N 3.45Å; F48-A51 VanDerWaalsContact O-N 3.11Å; F48-E52 HydrophobicContact CE1-CB 4.4Å; F48-E52 WeakPolarHBondContact O-CB 3.34Å; F48-E52 PolarHBondContact O-N 2.85Å; F48-V73 HydrophobicContact CE1-CG1 4.22Å; F48-V73 HydrophobicContact CZ-CB 4.25Å; F48-V73 HydrophobicContact CZ-CG1 3.92Å; F48-V73 HydrophobicContact CZ-CG2 4.21Å; F48-L76 HydrophobicContact CD2-CB 4.34Å; F48-L76 HydrophobicContact CE2-CB 3.58Å; F48-L76 HydrophobicContact CE2-CD1 4.03Å; F48-L76 HydrophobicContact CE2-CG 4.45Å; F48-L76 HydrophobicContact CZ-CB 4.34Å; F48-L77 HydrophobicContact CD1-CD1 3.66Å; F48-L77 HydrophobicContact CE1-CB 4.41Å; F48-L77 HydrophobicContact CE1-CD1 3.81Å; F48-L77 HydrophobicContact CG-CD1 4.27Å; F48-L77 HydrophobicContact CZ-CB 4.39Å
49S73.3Confident71.5Confident31 Ų3163.2 Ų63.222%0.21735%0.348CS..Hα-helixtrans-62-31.6179.5-173.90000113F45 A46 T53F45-S49 WeakPolarHBondContact O-CB 3.37Å; F45-S49 PolarHBondContact O-N 2.93Å; A46-S49 PolarHBondContact O-N 3.28Å; S49-T53 WeakPolarHBondContact O-CB 3.36Å; S49-T53 PolarHBondContact O-N 3.5Å; S49-T53 VanDerWaalsContact O-N 3.12Å; S49-T53 PolarHBondContact O-OG1 3.1Å
50T71.5Confident71.3Confident82 Ų8263 Ų6350%0.50335%0.354SS..Hα-helixtrans-74-42.1171.331.10000112.3A46 L47 F48 E52 T53 V54A46-T50 PolarHBondContact O-N 3.19Å; A46-T50 PolarHBondContact O-OG1 2.71Å; L47-T50 WeakPolarHBondContact CA-OG1 3.29Å; L47-T50 PolarHBondContact O-OG1 3.49Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 2.9Å; T50-E52 PolarHBondContact O-N 3.11Å; T50-T53 PolarHBondContact O-N 2.81Å; T50-V54 WeakPolarHBondContact O-CG2 3.46Å; T50-V54 PolarHBondContact O-N 3.25Å
51A70.3Confident71.6Confident47 Ų4769.4 Ų69.439%0.38837%0.373SS..Hα-helixtrans-63-39.2174.500000112.7L47 F48 V54 T55L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 2.96Å; F48-A51 PolarHBondContact O-N 3.45Å; F48-A51 VanDerWaalsContact O-N 3.11Å; A51-V54 PolarHBondContact O-N 2.73Å; A51-T55 VanDerWaalsContact O-CB 3.32Å; A51-T55 WeakPolarHBondContact O-CB 3.41Å; A51-T55 PolarHBondContact O-N 2.94Å; A51-T55 PolarHBondContact O-OG1 3.26Å
52E74.3Confident71.8Confident10 Ų1072.9 Ų72.95%0.04739%0.389CS..Hα-helixtrans-56.3-52.6169.8-175-168.6165.500110.1R8 F48 T50 V54 T55 D56R8-E52 IonicContact CZ-OE1 2.74Å; R8-E52 IonicContact CZ-OE2 2.75Å; R8-E52 IonicContact NH1-OE1 2.66Å; R8-E52 PolarHBondContact NH1-OE1 3.32Å; R8-E52 IonicContact NH1-OE2 3.67Å; R8-E52 PolarHBondContact NH1-OE2 3.24Å; F48-E52 HydrophobicContact CE1-CB 4.4Å; F48-E52 WeakPolarHBondContact O-CB 3.34Å; F48-E52 PolarHBondContact O-N 2.85Å; T50-E52 PolarHBondContact O-N 3.11Å; E52-V54 VanDerWaalsContact C-N 3.33Å; E52-V54 PolarHBondContact O-N 3.19Å; E52-T55 CarbonylContact O-C 3.56Å; E52-T55 WeakPolarHBondContact O-CB 3.39Å; E52-T55 PolarHBondContact O-N 3.11Å; E52-D56 WeakPolarHBondContact O-CB 3.28Å; E52-D56 PolarHBondContact O-N 3.27Å
53T73Confident71Confident75 Ų7574.2 Ų74.246%0.4641%0.409SS..Hα-helixtrans-59.2-38.7179.9-55.60000113.1S49 T50 L57S49-T53 WeakPolarHBondContact O-CB 3.36Å; S49-T53 PolarHBondContact O-N 3.5Å; S49-T53 VanDerWaalsContact O-N 3.12Å; S49-T53 PolarHBondContact O-OG1 3.1Å; T50-T53 PolarHBondContact O-N 2.81Å; T53-L57 PolarHBondContact O-N 3.23Å
54V73.4Confident70.8Confident81 Ų8178.4 Ų78.449%0.49143%0.425SS..Hα-helixtrans-70.4-38174.71730000111.6T50 A51 E52 L57 L58T50-V54 WeakPolarHBondContact O-CG2 3.46Å; T50-V54 PolarHBondContact O-N 3.25Å; A51-V54 PolarHBondContact O-N 2.73Å; E52-V54 VanDerWaalsContact C-N 3.33Å; E52-V54 PolarHBondContact O-N 3.19Å; V54-L57 PolarHBondContact O-N 3.45Å; V54-L58 HydrophobicContact CG1-CD1 3.76Å; V54-L58 HydrophobicContact CG1-CG 4.3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.79Å
55T70.3Confident70.6Confident43 Ų4378.8 Ų78.826%0.26442%0.422SS..Hα-helixtrans-70-35178-54.70000111.7A51 E52 L59 Y65A51-T55 VanDerWaalsContact O-CB 3.32Å; A51-T55 WeakPolarHBondContact O-CB 3.41Å; A51-T55 PolarHBondContact O-N 2.94Å; A51-T55 PolarHBondContact O-OG1 3.26Å; E52-T55 CarbonylContact O-C 3.56Å; E52-T55 WeakPolarHBondContact O-CB 3.39Å; E52-T55 PolarHBondContact O-N 3.11Å; T55-L59 HydrophobicContact CG2-CD1 3.84Å; T55-L59 PolarHBondContact O-N 3.18Å; T55-Y65 HydrophobicContact CG2-CE1 3.96Å; T55-Y65 WeakPolarHBondContact CG2-OH 3.25Å
56D71.8Confident70.4Confident32 Ų3280.7 Ų80.717%0.17143%0.431CS..Hα-helixtrans-58.2-47.5168.8-90.954.4000112W4 E52 S60 K69W4-D56 PolarHBondContact NE1-OD2 3.09Å; E52-D56 WeakPolarHBondContact O-CB 3.28Å; E52-D56 PolarHBondContact O-N 3.27Å; D56-S60 WeakPolarHBondContact O-CB 3.31Å; D56-S60 PolarHBondContact O-N 3.32Å; D56-K69 WeakPolarHBondContact OD1-CE 3.42Å; D56-K69 IonicContact OD1-NZ 2.69Å; D56-K69 PolarHBondContact OD1-NZ 3.29Å; D56-K69 IonicContact OD2-NZ 2.79Å; D56-K69 PolarHBondContact OD2-NZ 3.19Å
57L72.1Confident70.5Confident132 Ų13284.2 Ų84.269%0.69144%0.438SS*.Hα-helixtrans-64.4-53.1179.6-174.663.6000111.6T53 V54 S60T53-L57 PolarHBondContact O-N 3.23Å; V54-L57 PolarHBondContact O-N 3.45Å; L57-S60 PolarHBondContact O-OG 2.69Å
58L71.4Confident70.5Confident128 Ų12886.9 Ų86.967%0.6745%0.451SS*.Hα-helixtrans-73.6-32.2-169.5-67.7176.6000114.9V54V54-L58 HydrophobicContact CG1-CD1 3.76Å; V54-L58 HydrophobicContact CG1-CG 4.3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.79Å
59L67.9Low70.5Confident66 Ų6686.3 Ų86.335%0.34645%0.449SS..THydrogen-bonded Turntrans-109.212.7-175.5-68.7117.7000114T55 W61 F62 Y65T55-L59 HydrophobicContact CG2-CD1 3.84Å; T55-L59 PolarHBondContact O-N 3.18Å; L59-W61 PolarHBondContact O-N 3.04Å; L59-W61 VanDerWaalsContact O-N 3.12Å; L59-F62 PolarHBondContact O-N 2.93Å; L59-Y65 HydrophobicContact CB-CD1 3.41Å; L59-Y65 VanDerWaalsContact CB-CD1 3.41Å; L59-Y65 HydrophobicContact CB-CE1 3.38Å; L59-Y65 HydrophobicContact CB-CG 4.14Å; L59-Y65 HydrophobicContact CD1-CE1 3.95Å; L59-Y65 HydrophobicContact CD2-CD1 4.32Å; L59-Y65 HydrophobicContact CD2-CD2 4.18Å; L59-Y65 HydrophobicContact CD2-CE1 4.13Å; L59-Y65 HydrophobicContact CD2-CE2 3.99Å; L59-Y65 HydrophobicContact CD2-CG 4.36Å; L59-Y65 HydrophobicContact CG-CD1 4.35Å; L59-Y65 HydrophobicContact CG-CE1 4.01Å
60S66.9Low70.3Confident78 Ų7886.4 Ų86.455%0.54545%0.446SS..THydrogen-bonded Turntrans-53.6-25.7172.953.40000114.5D56 L57D56-S60 WeakPolarHBondContact O-CB 3.31Å; D56-S60 PolarHBondContact O-N 3.32Å; L57-S60 PolarHBondContact O-OG 2.69Å
61W73.7Confident70.4Confident238 Ų23885.3 Ų85.390%0.90245%0.446SS*.THydrogen-bonded Turntrans-74.6-21.2-179.2-179.4-99.1000114.9L59L59-W61 PolarHBondContact O-N 3.04Å; L59-W61 VanDerWaalsContact O-N 3.12Å
62F73.7Confident70.3Confident122 Ų12288.4 Ų88.454%0.53545%0.451SS..  trans-101.3113.4-168.5-162.9-99.2000113.3L59 F64 Y65L59-F62 PolarHBondContact O-N 2.93Å; F62-F64 HydrophobicContact CD1-CB 4.36Å; F62-F64 HydrophobicContact CE1-CB 3.93Å; F62-F64 PolarHBondContact O-N 3.43Å; F62-Y65 VanDerWaalsContact O-CB 3.28Å; F62-Y65 WeakPolarHBondContact O-CB 3.25Å; F62-Y65 PolarHBondContact O-N 3.31Å; F62-Y65 VanDerWaalsContact O-N 3.09Å
63P62.7Low70.1Confident115 Ų11588.5 Ų88.575%0.74745%0.452SS*.THydrogen-bonded Turntrans-69.7-27-165.125.7-35000114.7Y65P63-Y65 VanDerWaalsContact C-N 3.33Å
64F66.8Low69.9Low156 Ų15688.8 Ų88.868%0.68445%0.45SS*.THydrogen-bonded Turntrans-88.82.1177.6-153.1-99.5000113.2F62 L68F62-F64 HydrophobicContact CD1-CB 4.36Å; F62-F64 HydrophobicContact CE1-CB 3.93Å; F62-F64 PolarHBondContact O-N 3.43Å; F64-L68 HydrophobicContact CD1-CD1 4.31Å; F64-L68 HydrophobicContact CE1-CD1 4.38Å
65Y65.8Low69.8Low46 Ų4690.9 Ų90.918%0.1845%0.449CS..Hα-helixtrans-74-36.4-173.5-171.6-123000113T55 L59 F62 P63 E67 L68 K69T55-Y65 HydrophobicContact CG2-CE1 3.96Å; T55-Y65 WeakPolarHBondContact CG2-OH 3.25Å; L59-Y65 HydrophobicContact CB-CD1 3.41Å; L59-Y65 VanDerWaalsContact CB-CD1 3.41Å; L59-Y65 HydrophobicContact CB-CE1 3.38Å; L59-Y65 HydrophobicContact CB-CG 4.14Å; L59-Y65 HydrophobicContact CD1-CE1 3.95Å; L59-Y65 HydrophobicContact CD2-CD1 4.32Å; L59-Y65 HydrophobicContact CD2-CD2 4.18Å; L59-Y65 HydrophobicContact CD2-CE1 4.13Å; L59-Y65 HydrophobicContact CD2-CE2 3.99Å; L59-Y65 HydrophobicContact CD2-CG 4.36Å; L59-Y65 HydrophobicContact CG-CD1 4.35Å; L59-Y65 HydrophobicContact CG-CE1 4.01Å; F62-Y65 VanDerWaalsContact O-CB 3.28Å; F62-Y65 WeakPolarHBondContact O-CB 3.25Å; F62-Y65 PolarHBondContact O-N 3.31Å; F62-Y65 VanDerWaalsContact O-N 3.09Å; P63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 3.12Å; Y65-L68 PolarHBondContact O-N 3.48Å; Y65-K69 HydrophobicContact CD1-CB 3.84Å; Y65-K69 HydrophobicContact CD1-CD 3.75Å; Y65-K69 HydrophobicContact CD1-CG 4.08Å; Y65-K69 HydrophobicContact CD2-CB 4.4Å; Y65-K69 HydrophobicContact CE1-CB 3.64Å; Y65-K69 HydrophobicContact CE1-CD 3.53Å; Y65-K69 HydrophobicContact CE1-CG 3.54Å; Y65-K69 HydrophobicContact CE2-CB 4.22Å; Y65-K69 HydrophobicContact CG-CB 4.21Å; Y65-K69 WeakPolarHBondContact O-CB 3.29Å; Y65-K69 PolarHBondContact O-N 3.34Å
66F65.4Low69.4Low69 Ų6989.9 Ų89.930%0.30344%0.442SS..Hα-helixtrans-58-41.9-166.3-69.7-86.5000114.7K69 I70F66-K69 WeakPolarHBondContact O-CB 3.47Å; F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.31Å; F66-I70 WeakPolarHBondContact O-CG1 3.3Å; F66-I70 PolarHBondContact O-N 2.98Å
67E76.1Confident69Low133 Ų13389.6 Ų89.662%0.62144%0.441SS*.Hα-helixtrans-70.4-48.3-179.8-59.1-54.3141.400112.2Y65 K69 I70 A71Y65-E67 PolarHBondContact O-N 3.12Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.4Å; E67-I70 PolarHBondContact O-N 3.21Å; E67-A71 PolarHBondContact O-N 2.8Å
68L68.4Low68.5Low115 Ų11584.7 Ų84.760%0.60242%0.417SS*.Hα-helixtrans-61.5-37.7174.8-89.1162.5000111.9F64 Y65 F72F64-L68 HydrophobicContact CD1-CD1 4.31Å; F64-L68 HydrophobicContact CE1-CD1 4.38Å; Y65-L68 PolarHBondContact O-N 3.48Å; L68-F72 VanDerWaalsContact O-CB 3.22Å; L68-F72 WeakPolarHBondContact O-CB 3.41Å; L68-F72 PolarHBondContact O-N 3.46Å
69K71.8Confident67.6Low13 Ų1383 Ų836%0.05741%0.414CS..Hα-helixtrans-63.2-49174.1178.6-162.6-175.1-1760111.3D56 Y65 F66 E67 A71 F72 V73D56-K69 WeakPolarHBondContact OD1-CE 3.42Å; D56-K69 IonicContact OD1-NZ 2.69Å; D56-K69 PolarHBondContact OD1-NZ 3.29Å; D56-K69 IonicContact OD2-NZ 2.79Å; D56-K69 PolarHBondContact OD2-NZ 3.19Å; Y65-K69 HydrophobicContact CD1-CB 3.84Å; Y65-K69 HydrophobicContact CD1-CD 3.75Å; Y65-K69 HydrophobicContact CD1-CG 4.08Å; Y65-K69 HydrophobicContact CD2-CB 4.4Å; Y65-K69 HydrophobicContact CE1-CB 3.64Å; Y65-K69 HydrophobicContact CE1-CD 3.53Å; Y65-K69 HydrophobicContact CE1-CG 3.54Å; Y65-K69 HydrophobicContact CE2-CB 4.22Å; Y65-K69 HydrophobicContact CG-CB 4.21Å; Y65-K69 WeakPolarHBondContact O-CB 3.29Å; Y65-K69 PolarHBondContact O-N 3.34Å; F66-K69 WeakPolarHBondContact O-CB 3.47Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.4Å; K69-A71 VanDerWaalsContact C-N 3.34Å; K69-A71 PolarHBondContact O-N 3.02Å; K69-F72 PolarHBondContact O-N 3.46Å; K69-V73 HydrophobicContact CG-CG2 4.34Å; K69-V73 WeakPolarHBondContact O-CB 3.36Å; K69-V73 VanDerWaalsContact O-CG2 3.25Å; K69-V73 WeakPolarHBondContact O-CG2 3.37Å; K69-V73 PolarHBondContact O-N 3.11Å
70I69.9Low66.3Low33 Ų3390 Ų9017%0.16944%0.437CS..Hα-helixtrans-62.5-43.4178.7-71.8165.6000110.2F66 E67 F72 V73 I74F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.31Å; F66-I70 WeakPolarHBondContact O-CG1 3.3Å; F66-I70 PolarHBondContact O-N 2.98Å; E67-I70 PolarHBondContact O-N 3.21Å; I70-F72 PolarHBondContact O-N 3.26Å; I70-V73 PolarHBondContact O-N 3.09Å; I70-I74 HydrophobicContact CG2-CD1 3.75Å; I70-I74 HydrophobicContact CG2-CG1 4.46Å; I70-I74 WeakPolarHBondContact O-CB 3.38Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 3.36Å
71A72.2Confident65.4Low60 Ų6089.7 Ų89.750%0.49643%0.432SS..Hα-helixtrans-60.1-44.7173.900000112.2E67 K69 W75E67-A71 PolarHBondContact O-N 2.8Å; K69-A71 VanDerWaalsContact C-N 3.34Å; K69-A71 PolarHBondContact O-N 3.02Å; A71-W75 WeakPolarHBondContact O-CB 3.28Å; A71-W75 PolarHBondContact O-N 3.22Å
72F69.2Low64.2Low111 Ų11185.6 Ų85.649%0.48742%0.421SS..Hα-helixtrans-68.4-38.3178.3-172.7-114.7000112.9L68 K69 I70 W75 L76L68-F72 VanDerWaalsContact O-CB 3.22Å; L68-F72 WeakPolarHBondContact O-CB 3.41Å; L68-F72 PolarHBondContact O-N 3.46Å; K69-F72 PolarHBondContact O-N 3.46Å; I70-F72 PolarHBondContact O-N 3.26Å; F72-W75 HydrophobicContact CD2-CE3 4.12Å; F72-W75 HydrophobicContact CE2-CE3 4.12Å; F72-W75 HydrophobicContact CE2-CZ3 4.06Å; F72-W75 PolarHBondContact O-N 3.39Å; F72-L76 HydrophobicContact CD1-CD1 3.82Å; F72-L76 HydrophobicContact CE1-CD1 3.52Å; F72-L76 HydrophobicContact CE1-CG 4.43Å; F72-L76 HydrophobicContact CG-CD1 4.43Å; F72-L76 HydrophobicContact CZ-CD1 3.9Å; F72-L76 HydrophobicContact CZ-CG 4.43Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 2.83Å
73V68.9Low63.4Low12 Ų1280.1 Ų80.17%0.07340%0.398CS..Hα-helixtrans-62.4-49.3173.7155.90000110.5V11 F48 K69 I70 W75 L76 L77V11-V73 HydrophobicContact CG2-CG1 3.52Å; F48-V73 HydrophobicContact CE1-CG1 4.22Å; F48-V73 HydrophobicContact CZ-CB 4.25Å; F48-V73 HydrophobicContact CZ-CG1 3.92Å; F48-V73 HydrophobicContact CZ-CG2 4.21Å; K69-V73 HydrophobicContact CG-CG2 4.34Å; K69-V73 WeakPolarHBondContact O-CB 3.36Å; K69-V73 VanDerWaalsContact O-CG2 3.25Å; K69-V73 WeakPolarHBondContact O-CG2 3.37Å; K69-V73 PolarHBondContact O-N 3.11Å; I70-V73 PolarHBondContact O-N 3.09Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 3.27Å; V73-L76 PolarHBondContact O-N 3.2Å; V73-L77 WeakPolarHBondContact O-CB 3.19Å; V73-L77 PolarHBondContact O-N 2.79Å
74I69.8Low62.8Low81 Ų8176.2 Ų76.242%0.41537%0.374SS..Hα-helixtrans-65.4-38.1176.7-68170.1000110.9I70 L77 S78I70-I74 HydrophobicContact CG2-CD1 3.75Å; I70-I74 HydrophobicContact CG2-CG1 4.46Å; I70-I74 WeakPolarHBondContact O-CB 3.38Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 3.36Å; I74-L77 PolarHBondContact O-N 2.88Å; I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.48Å; I74-S78 PolarHBondContact O-N 3Å
75W70.1Confident62Low125 Ų12572.1 Ų72.147%0.47337%0.365SS..Hα-helixtrans-66.9-35.5177-178.786.3000113.2A71 F72 V73A71-W75 WeakPolarHBondContact O-CB 3.28Å; A71-W75 PolarHBondContact O-N 3.22Å; F72-W75 HydrophobicContact CD2-CE3 4.12Å; F72-W75 HydrophobicContact CE2-CE3 4.12Å; F72-W75 HydrophobicContact CE2-CZ3 4.06Å; F72-W75 PolarHBondContact O-N 3.39Å; V73-W75 VanDerWaalsContact C-N 3.34Å; V73-W75 PolarHBondContact O-N 3.27Å
76L63.5Low61.4Low23 Ų2375 Ų7512%0.1239%0.387CS..Hα-helixtrans-73.6-43.5172-79.3170.4000112.6F48 F72 V73 S78 S84 L87F48-L76 HydrophobicContact CD2-CB 4.34Å; F48-L76 HydrophobicContact CE2-CB 3.58Å; F48-L76 HydrophobicContact CE2-CD1 4.03Å; F48-L76 HydrophobicContact CE2-CG 4.45Å; F48-L76 HydrophobicContact CZ-CB 4.34Å; F72-L76 HydrophobicContact CD1-CD1 3.82Å; F72-L76 HydrophobicContact CE1-CD1 3.52Å; F72-L76 HydrophobicContact CE1-CG 4.43Å; F72-L76 HydrophobicContact CG-CD1 4.43Å; F72-L76 HydrophobicContact CZ-CD1 3.9Å; F72-L76 HydrophobicContact CZ-CG 4.43Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 2.83Å; V73-L76 PolarHBondContact O-N 3.2Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.5Å; L76-S84 WeakPolarHBondContact O-CB 3.32Å; L76-L87 HydrophobicContact CD2-CD2 4.08Å
77L62.2Low61.2Low26 Ų2675 Ų7514%0.13639%0.389CS..Hα-helixtrans-69.6-26.6-179-166.875.6000112V11 F45 F48 V73 I74 P79V11-L77 HydrophobicContact CB-CD2 4.5Å; V11-L77 HydrophobicContact CG1-CD2 4.09Å; F45-L77 HydrophobicContact CD2-CD1 4.02Å; F45-L77 HydrophobicContact CE2-CD1 4.08Å; F48-L77 HydrophobicContact CD1-CD1 3.66Å; F48-L77 HydrophobicContact CE1-CB 4.41Å; F48-L77 HydrophobicContact CE1-CD1 3.81Å; F48-L77 HydrophobicContact CG-CD1 4.27Å; F48-L77 HydrophobicContact CZ-CB 4.39Å; V73-L77 WeakPolarHBondContact O-CB 3.19Å; V73-L77 PolarHBondContact O-N 2.79Å; I74-L77 PolarHBondContact O-N 2.88Å; L77-P79 VanDerWaalsContact O-CD 3.26Å; L77-P79 WeakPolarHBondContact O-CD 3.41Å; L77-P79 VanDerWaalsContact O-N 3.16Å
78S61.5Low60Low28 Ų2871.7 Ų71.720%0.19637%0.372CS..  trans-55.5114.5177.4174.80000111.8I74 L76 Y80 T81I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.48Å; I74-S78 PolarHBondContact O-N 3Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.5Å; S78-Y80 PolarHBondContact O-N 3Å; S78-Y80 PolarHBondContact OG-N 3.43Å; S78-T81 WeakPolarHBondContact CB-OG1 3.5Å; S78-T81 PolarHBondContact OG-N 3.26Å; S78-T81 PolarHBondContact OG-OG1 2.99Å
79P52.3Low59.4Low94 Ų9476.2 Ų76.261%0.6138%0.381SS*.SBendtrans-71.3-8.2174.131.1-35.2000112.3L77L77-P79 VanDerWaalsContact O-CD 3.26Å; L77-P79 WeakPolarHBondContact O-CD 3.41Å; L77-P79 VanDerWaalsContact O-N 3.16Å
80Y41.6Very low58.5Low211 Ų21183.5 Ų83.583%0.82741%0.413SS*.SBendtrans-90.8-38.7-173.6-154.2-101.7000112.7S78 K82S78-Y80 PolarHBondContact O-N 3Å; S78-Y80 PolarHBondContact OG-N 3.43Å; Y80-K82 PolarHBondContact O-N 2.86Å
81T47.9Very low57.9Low72 Ų7288.3 Ų88.344%0.44243%0.432SS..SBendtrans-87.41.2-165.5-220000114.9S78 G83S78-T81 WeakPolarHBondContact CB-OG1 3.5Å; S78-T81 PolarHBondContact OG-N 3.26Å; S78-T81 PolarHBondContact OG-OG1 2.99Å; T81-G83 PolarHBondContact O-N 3.41Å
82K49.1Very low57Low153 Ų15386.1 Ų86.167%0.66541%0.413SS*.SBendtrans59.41.5-179-60.7-176.2177.4660117.2Y80 S84 S85 V86Y80-K82 PolarHBondContact O-N 2.86Å; K82-S84 VanDerWaalsContact C-N 3.32Å; K82-S84 PolarHBondContact O-N 2.98Å; K82-S85 WeakPolarHBondContact O-CA 3.27Å; K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.34Å; K82-V86 PolarHBondContact O-N 3.44Å
83G55.5Low55.8Low6 Ų686.6 Ų86.66%0.06242%0.416CS..Hα-helixtrans-55.6-45176.100000112.8T81 S85 V86 L87T81-G83 PolarHBondContact O-N 3.41Å; G83-S85 PolarHBondContact O-N 2.9Å; G83-V86 PolarHBondContact O-N 2.91Å; G83-L87 PolarHBondContact O-N 2.98Å
84S51.2Low55.1Low34 Ų3489.4 Ų89.424%0.23844%0.435CS..Hα-helixtrans-53-33.2169.848.50000114.1L76 K82 L87 Y88L76-S84 WeakPolarHBondContact O-CB 3.32Å; K82-S84 VanDerWaalsContact C-N 3.32Å; K82-S84 PolarHBondContact O-N 2.98Å; S84-L87 PolarHBondContact O-N 3.45Å; S84-Y88 VanDerWaalsContact O-CB 3.27Å; S84-Y88 WeakPolarHBondContact O-CB 3.33Å; S84-Y88 PolarHBondContact O-N 3.21Å
85S48.8Very low54.3Low70 Ų7088.7 Ų88.749%0.4944%0.435SS..Hα-helixtrans-72.3-30.9-177.6-154.20000112.9K82 G83 R89K82-S85 WeakPolarHBondContact O-CA 3.27Å; K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.34Å; G83-S85 PolarHBondContact O-N 2.9Å; S85-R89 PolarHBondContact O-N 3.33Å
86V53.9Low53.5Low106 Ų10685.3 Ų85.364%0.64243%0.425SS*.Hα-helixtrans-72-44.3172.6-178.70000110.3K82 G83 Y88 R89 K90K82-V86 PolarHBondContact O-N 3.44Å; G83-V86 PolarHBondContact O-N 2.91Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.16Å; V86-R89 PolarHBondContact O-N 2.79Å; V86-K90 PolarHBondContact O-N 3.27Å; V86-K90 VanDerWaalsContact O-N 3.15Å
87L61.4Low52.8Low68 Ų6887.9 Ų87.936%0.35645%0.446SS..Hα-helixtrans-63.3-38.3174.8-169.568.6000111.6L76 G83 S84 R89 K90 F91 V92L76-L87 HydrophobicContact CD2-CD2 4.08Å; G83-L87 PolarHBondContact O-N 2.98Å; S84-L87 PolarHBondContact O-N 3.45Å; L87-R89 PolarHBondContact O-N 3.39Å; L87-K90 PolarHBondContact O-N 2.88Å; L87-F91 HydrophobicContact CD1-CB 4.22Å; L87-F91 HydrophobicContact CD1-CD2 3.64Å; L87-F91 HydrophobicContact CD1-CE2 4.32Å; L87-F91 HydrophobicContact CD1-CG 4.15Å; L87-F91 PolarHBondContact O-N 3.48Å; L87-V92 PolarHBondContact O-N 2.75Å
88Y51.1Low52.2Low65 Ų6592.4 Ų92.426%0.25547%0.47SS..Iπ-helixtrans-59.6-45.9176.6-166.2-96.1000111.7V44 S84 V86 K90 V92 H93V44-Y88 HydrophobicContact CG2-CD2 3.51Å; V44-Y88 HydrophobicContact CG2-CE2 3.38Å; S84-Y88 VanDerWaalsContact O-CB 3.27Å; S84-Y88 WeakPolarHBondContact O-CB 3.33Å; S84-Y88 PolarHBondContact O-N 3.21Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.16Å; Y88-K90 PolarHBondContact O-N 2.89Å; Y88-V92 HydrophobicContact CD2-CB 3.63Å; Y88-V92 HydrophobicContact CD2-CG1 3.7Å; Y88-V92 HydrophobicContact CD2-CG2 3.88Å; Y88-V92 HydrophobicContact CE2-CB 3.99Å; Y88-V92 HydrophobicContact CE2-CG1 3.51Å; Y88-V92 HydrophobicContact CG-CB 4.1Å; Y88-V92 HydrophobicContact CG-CG2 4.49Å; Y88-V92 WeakPolarHBondContact O-CB 3.5Å; Y88-V92 PolarHBondContact O-N 2.66Å; Y88-H93 PolarHBondContact O-N 3.17Å
89R55Low51.8Low209 Ų20995.2 Ų95.279%0.78948%0.478SS*.Iπ-helixtrans-68.4-30.8176.9-100.4-178.3169.5169.6-3114.3S85 V86 L87S85-R89 PolarHBondContact O-N 3.33Å; V86-R89 PolarHBondContact O-N 2.79Å; L87-R89 PolarHBondContact O-N 3.39Å
90K54.2Low52Low167 Ų16796.6 Ų96.673%0.72648%0.477SS*.Iπ-helixtrans-98-28.3-172.5-131.3-169.9-177.7-167.80115.3V86 L87 Y88 P94V86-K90 PolarHBondContact O-N 3.27Å; V86-K90 VanDerWaalsContact O-N 3.15Å; L87-K90 PolarHBondContact O-N 2.88Å; Y88-K90 PolarHBondContact O-N 2.89Å; K90-P94 WeakPolarHBondContact O-CG 3.43Å
91F55.6Low52.7Low133 Ų13394.8 Ų94.858%0.58347%0.473SS*.Iπ-helixtrans-119.2-48.6179.8-82.3-95.3000112.4L87 P94 T95L87-F91 HydrophobicContact CD1-CB 4.22Å; L87-F91 HydrophobicContact CD1-CD2 3.64Å; L87-F91 HydrophobicContact CD1-CE2 4.32Å; L87-F91 HydrophobicContact CD1-CG 4.15Å; L87-F91 PolarHBondContact O-N 3.48Å; F91-P94 VanDerWaalsContact O-CD 3.3Å; F91-P94 WeakPolarHBondContact O-CD 3.32Å; F91-P94 WeakPolarHBondContact O-CG 3.5Å; F91-T95 VanDerWaalsContact O-CB 3.28Å; F91-T95 WeakPolarHBondContact O-CB 3.33Å; F91-T95 PolarHBondContact O-N 3.23Å; F91-T95 VanDerWaalsContact O-N 3.07Å; F91-T95 PolarHBondContact O-OG1 3.49Å
92V54.3Low53.2Low15 Ų1594.9 Ų94.99%0.09147%0.469CS..Iπ-helixtrans-68.5-46.6-175.6-174.70000111.5L47 L87 Y88 T95 L96L47-V92 HydrophobicContact CD1-CB 4.41Å; L47-V92 HydrophobicContact CD1-CG1 3.65Å; L47-V92 HydrophobicContact CD1-CG2 4.06Å; L87-V92 PolarHBondContact O-N 2.75Å; Y88-V92 HydrophobicContact CD2-CB 3.63Å; Y88-V92 HydrophobicContact CD2-CG1 3.7Å; Y88-V92 HydrophobicContact CD2-CG2 3.88Å; Y88-V92 HydrophobicContact CE2-CB 3.99Å; Y88-V92 HydrophobicContact CE2-CG1 3.51Å; Y88-V92 HydrophobicContact CG-CB 4.1Å; Y88-V92 HydrophobicContact CG-CG2 4.49Å; Y88-V92 WeakPolarHBondContact O-CB 3.5Å; Y88-V92 PolarHBondContact O-N 2.66Å; V92-T95 PolarHBondContact O-N 3.39Å; V92-L96 HydrophobicContact CG1-CB 4.29Å; V92-L96 HydrophobicContact CG1-CD1 4.38Å; V92-L96 HydrophobicContact CG1-CD2 4.47Å; V92-L96 VanDerWaalsContact O-CB 3.25Å; V92-L96 WeakPolarHBondContact O-CB 3.24Å; V92-L96 PolarHBondContact O-N 3.31Å
93H44.2Very low53.8Low120 Ų12091.8 Ų91.856%0.55646%0.458SS*.Hα-helixtrans-57.4-43.8-178.3-159.3-44.3000114.5Y88 S97Y88-H93 PolarHBondContact O-N 3.17Å; H93-S97 VanDerWaalsContact O-CB 3.27Å; H93-S97 WeakPolarHBondContact O-CB 3.4Å; H93-S97 PolarHBondContact O-N 2.78Å
94P52.9Low54.2Low71 Ų7196.3 Ų96.346%0.46148%0.481SS..Hα-helixtrans-74.6-37.3172.427.2-33.9000113.3K90 F91 N98K90-P94 WeakPolarHBondContact O-CG 3.43Å; F91-P94 VanDerWaalsContact O-CD 3.3Å; F91-P94 WeakPolarHBondContact O-CD 3.32Å; F91-P94 WeakPolarHBondContact O-CG 3.5Å; P94-N98 VanDerWaalsContact O-CB 3.27Å; P94-N98 WeakPolarHBondContact O-CB 3.2Å; P94-N98 PolarHBondContact O-N 2.87Å
95T54.7Low55.1Low67 Ų67101.2 Ų101.241%0.41150%0.501SS..Hα-helixtrans-69.7-44.9-178.9-59.90000112.1F91 V92 N98 K99F91-T95 VanDerWaalsContact O-CB 3.28Å; F91-T95 WeakPolarHBondContact O-CB 3.33Å; F91-T95 PolarHBondContact O-N 3.23Å; F91-T95 VanDerWaalsContact O-N 3.07Å; F91-T95 PolarHBondContact O-OG1 3.49Å; V92-T95 PolarHBondContact O-N 3.39Å; T95-N98 PolarHBondContact O-N 2.75Å; T95-K99 HydrophobicContact CG2-CG 4.26Å; T95-K99 VanDerWaalsContact O-CB 3.22Å; T95-K99 WeakPolarHBondContact O-CB 3.48Å; T95-K99 WeakPolarHBondContact O-CG 3.06Å; T95-K99 PolarHBondContact O-N 2.74Å
96L53Low56.1Low53 Ų53105.4 Ų105.428%0.27751%0.507SS..Hα-helixtrans-65.3-51.2-179.5-142.475.9000110.6I43 L47 V92 N98 K99 E100I43-L96 HydrophobicContact CG2-CD1 3.84Å; I43-L96 HydrophobicContact CG2-CD2 4.17Å; L47-L96 HydrophobicContact CD1-CD1 4.02Å; V92-L96 HydrophobicContact CG1-CB 4.29Å; V92-L96 HydrophobicContact CG1-CD1 4.38Å; V92-L96 HydrophobicContact CG1-CD2 4.47Å; V92-L96 VanDerWaalsContact O-CB 3.25Å; V92-L96 WeakPolarHBondContact O-CB 3.24Å; V92-L96 PolarHBondContact O-N 3.31Å; L96-N98 PolarHBondContact O-N 3.2Å; L96-N98 VanDerWaalsContact O-N 3.16Å; L96-K99 PolarHBondContact O-N 3.2Å; L96-K99 VanDerWaalsContact O-N 3.15Å; L96-E100 WeakPolarHBondContact O-CB 3.22Å; L96-E100 PolarHBondContact O-N 3.36Å
97S48.8Very low56.9Low78 Ų78105.2 Ų105.255%0.54550%0.501SS..Hα-helixtrans-62.5-24-179.6-177.50000114.2H93H93-S97 VanDerWaalsContact O-CB 3.27Å; H93-S97 WeakPolarHBondContact O-CB 3.4Å; H93-S97 PolarHBondContact O-N 2.78Å
98N48.9Very low57.4Low121 Ų121104 Ų10465%0.64750%0.501SS*.Hα-helixtrans-92.3-30.4176.9-158.546.2000112.1P94 T95 L96P94-N98 VanDerWaalsContact O-CB 3.27Å; P94-N98 WeakPolarHBondContact O-CB 3.2Å; P94-N98 PolarHBondContact O-N 2.87Å; T95-N98 PolarHBondContact O-N 2.75Å; L96-N98 PolarHBondContact O-N 3.2Å; L96-N98 VanDerWaalsContact O-N 3.16Å
99K54.3Low58.8Low86 Ų86104.6 Ų104.637%0.37451%0.506SS..Hα-helixtrans-84.3-23.9177.6-75.9-74.6170.3-164.60114.2T95 L96 K101 E102 I103T95-K99 HydrophobicContact CG2-CG 4.26Å; T95-K99 VanDerWaalsContact O-CB 3.22Å; T95-K99 WeakPolarHBondContact O-CB 3.48Å; T95-K99 WeakPolarHBondContact O-CG 3.06Å; T95-K99 PolarHBondContact O-N 2.74Å; L96-K99 PolarHBondContact O-N 3.2Å; L96-K99 VanDerWaalsContact O-N 3.15Å; K99-K101 PolarHBondContact O-N 3.49Å; K99-E102 WeakPolarHBondContact CD-OE2 3.13Å; K99-E102 VanDerWaalsContact CE-OE2 3.28Å; K99-E102 WeakPolarHBondContact CE-OE2 3.37Å; K99-E102 IonicContact NZ-OE1 3.96Å; K99-E102 PolarHBondContact NZ-OE1 2.89Å; K99-E102 IonicContact NZ-OE2 3.31Å; K99-E102 PolarHBondContact NZ-OE2 3.31Å; K99-E102 PolarHBondContact O-N 3.44Å; K99-I103 HydrophobicContact CB-CD1 3.97Å; K99-I103 HydrophobicContact CB-CG1 4.49Å; K99-I103 VanDerWaalsContact O-CB 3.23Å; K99-I103 WeakPolarHBondContact O-CB 3.38Å; K99-I103 WeakPolarHBondContact O-CG1 3.18Å; K99-I103 PolarHBondContact O-N 2.86Å
100E56Low59.9Low124 Ų12497.3 Ų97.358%0.57949%0.491SS*.Hα-helixtrans-57.8-51.4-179-171.2166.1-137.600111.3L96 I103 D104L96-E100 WeakPolarHBondContact O-CB 3.22Å; L96-E100 PolarHBondContact O-N 3.36Å; E100-I103 PolarHBondContact O-N 3.5Å; E100-D104 WeakPolarHBondContact O-CB 3.25Å; E100-D104 PolarHBondContact O-N 3Å
101K55.9Low60.9Low173 Ų17396.3 Ų96.375%0.75249%0.486SS*.Hα-helixtrans-60.8-46.3173.7-76.8-168.9171.2-169.60113.5K99 I103 D104 E105K99-K101 PolarHBondContact O-N 3.49Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.34Å; K101-D104 PolarHBondContact O-N 2.89Å; K101-E105 VanDerWaalsContact O-CB 3.29Å; K101-E105 WeakPolarHBondContact O-CB 3.22Å; K101-E105 PolarHBondContact O-N 2.73Å
102E57.6Low62.2Low73 Ų7394.8 Ų94.834%0.34148%0.484SS..Hα-helixtrans-63.5-40.8-178.3-168.2-174.3158.200110.9K99 Y106K99-E102 WeakPolarHBondContact CD-OE2 3.13Å; K99-E102 VanDerWaalsContact CE-OE2 3.28Å; K99-E102 WeakPolarHBondContact CE-OE2 3.37Å; K99-E102 IonicContact NZ-OE1 3.96Å; K99-E102 PolarHBondContact NZ-OE1 2.89Å; K99-E102 IonicContact NZ-OE2 3.31Å; K99-E102 PolarHBondContact NZ-OE2 3.31Å; K99-E102 PolarHBondContact O-N 3.44Å; E102-Y106 HydrophobicContact CG-CD2 4.17Å; E102-Y106 HydrophobicContact CG-CE2 4.32Å; E102-Y106 WeakPolarHBondContact O-CB 3.49Å; E102-Y106 VanDerWaalsContact O-CD2 3.32Å; E102-Y106 WeakPolarHBondContact O-CD2 3.39Å; E102-Y106 PolarHBondContact O-N 2.92Å
103I62.4Low63.6Low88 Ų88101 Ų10145%0.45151%0.506SS..Hα-helixtrans-69.6-45177.7-70.6169.3000110.9K99 E100 K101 E105 Y106 I107K99-I103 HydrophobicContact CB-CD1 3.97Å; K99-I103 HydrophobicContact CB-CG1 4.49Å; K99-I103 VanDerWaalsContact O-CB 3.23Å; K99-I103 WeakPolarHBondContact O-CB 3.38Å; K99-I103 WeakPolarHBondContact O-CG1 3.18Å; K99-I103 PolarHBondContact O-N 2.86Å; E100-I103 PolarHBondContact O-N 3.5Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.34Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 3.46Å; I103-Y106 PolarHBondContact O-N 3.17Å; I103-I107 HydrophobicContact CG2-CD1 3.56Å; I103-I107 HydrophobicContact CG2-CG1 4.23Å; I103-I107 WeakPolarHBondContact O-CB 3.41Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.17Å; I103-I107 PolarHBondContact O-N 2.95Å
104D64.9Low65.4Low102 Ų10298.7 Ų98.755%0.54550%0.504SS..Hα-helixtrans-62.7-40.7176.7-82-11.5000111.8E100 K101 I107 A108E100-D104 WeakPolarHBondContact O-CB 3.25Å; E100-D104 PolarHBondContact O-N 3Å; K101-D104 PolarHBondContact O-N 2.89Å; D104-I107 PolarHBondContact O-N 3.15Å; D104-A108 WeakPolarHBondContact O-CB 3.45Å; D104-A108 PolarHBondContact O-N 3.41Å
105E69.9Low67.1Low137 Ų137102.4 Ų102.464%0.6451%0.509SS*.Hα-helixtrans-66.9-41.2176.6-170.9167.2-163.400111.8K101 I103 Q109K101-E105 VanDerWaalsContact O-CB 3.29Å; K101-E105 WeakPolarHBondContact O-CB 3.22Å; K101-E105 PolarHBondContact O-N 2.73Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 3.46Å; E105-Q109 WeakPolarHBondContact O-CB 3.34Å; E105-Q109 PolarHBondContact O-N 3.23Å
106Y68.6Low68.7Low157 Ų157103.7 Ų103.762%0.61651%0.511SS*.Hα-helixtrans-66.2-37.7171.8-96.1-79.1000113E102 I103 A110E102-Y106 HydrophobicContact CG-CD2 4.17Å; E102-Y106 HydrophobicContact CG-CE2 4.32Å; E102-Y106 WeakPolarHBondContact O-CB 3.49Å; E102-Y106 VanDerWaalsContact O-CD2 3.32Å; E102-Y106 WeakPolarHBondContact O-CD2 3.39Å; E102-Y106 PolarHBondContact O-N 2.92Å; I103-Y106 PolarHBondContact O-N 3.17Å; Y106-A110 WeakPolarHBondContact O-CB 3.4Å; Y106-A110 PolarHBondContact O-N 3.04Å
107I71.6Confident70.5Confident102 Ų102104.4 Ų104.452%0.52352%0.517SS..Hα-helixtrans-69.5-43.4178.1-74.3172.7000110.6I103 D104 A110 K111I103-I107 HydrophobicContact CG2-CD1 3.56Å; I103-I107 HydrophobicContact CG2-CG1 4.23Å; I103-I107 WeakPolarHBondContact O-CB 3.41Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.17Å; I103-I107 PolarHBondContact O-N 2.95Å; D104-I107 PolarHBondContact O-N 3.15Å; I107-A110 PolarHBondContact O-N 3.5Å; I107-K111 VanDerWaalsContact O-CB 3.25Å; I107-K111 WeakPolarHBondContact O-CB 3.38Å; I107-K111 PolarHBondContact O-N 3.03Å
108A72.4Confident72.5Confident44 Ų44107.3 Ų107.336%0.36452%0.524SS..Hα-helixtrans-59.5-52.2173.300000110.6D104 A110 K111 D112D104-A108 WeakPolarHBondContact O-CB 3.45Å; D104-A108 PolarHBondContact O-N 3.41Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.07Å; A108-K111 WeakPolarHBondContact O-CB 3.47Å; A108-K111 PolarHBondContact O-N 3.25Å; A108-K111 VanDerWaalsContact O-N 3.11Å; A108-D112 PolarHBondContact O-N 3.38Å
109Q79.8Confident74.4Confident76 Ų76105.2 Ų105.236%0.35551%0.511SS..Hα-helixtrans-62.5-33.4179.8-166.2177.9114.600112.9E105 R113E105-Q109 WeakPolarHBondContact O-CB 3.34Å; E105-Q109 PolarHBondContact O-N 3.23Å; Q109-R113 WeakPolarHBondContact O-CB 3.29Å; Q109-R113 VanDerWaalsContact O-CG 3.27Å; Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.32Å; Q109-R113 VanDerWaalsContact O-N 3.15Å
110A77.8Confident76.1Confident57 Ų57105.5 Ų105.547%0.47151%0.513SS..Hα-helixtrans-73.5-38.9173.600000112.5Y106 I107 A108 S114Y106-A110 WeakPolarHBondContact O-CB 3.4Å; Y106-A110 PolarHBondContact O-N 3.04Å; I107-A110 PolarHBondContact O-N 3.5Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.07Å; A110-S114 VanDerWaalsContact O-CB 3.23Å; A110-S114 WeakPolarHBondContact O-CB 3.31Å; A110-S114 PolarHBondContact O-N 3.14Å; A110-S114 PolarHBondContact O-OG 2.89Å
111K76Confident77.8Confident145 Ų145106.3 Ų106.363%0.6351%0.514SS*.Hα-helixtrans-61.9-48.3174.7-176.7-175175.8-1700110.9I107 A108 S114 Y115I107-K111 VanDerWaalsContact O-CB 3.25Å; I107-K111 WeakPolarHBondContact O-CB 3.38Å; I107-K111 PolarHBondContact O-N 3.03Å; A108-K111 WeakPolarHBondContact O-CB 3.47Å; A108-K111 PolarHBondContact O-N 3.25Å; A108-K111 VanDerWaalsContact O-N 3.11Å; K111-S114 WeakPolarHBondContact CA-OG 3.34Å; K111-S114 PolarHBondContact O-N 3.31Å; K111-S114 PolarHBondContact O-OG 3.4Å; K111-Y115 WeakPolarHBondContact O-CB 3.47Å; K111-Y115 PolarHBondContact O-N 3.27Å
112D82.9Confident79.6Confident101 Ų101100.2 Ų100.254%0.5450%0.501SS..Hα-helixtrans-67.9-44.2-178.3-63.9-23.8000111.4A108 S114 Y115 E116A108-D112 PolarHBondContact O-N 3.38Å; D112-S114 PolarHBondContact O-N 3.34Å; D112-Y115 PolarHBondContact O-N 2.97Å; D112-E116 WeakPolarHBondContact O-CB 3.18Å; D112-E116 PolarHBondContact O-N 2.84Å
113R83Confident81.3Confident147 Ų147103.7 Ų103.756%0.55552%0.515SS*.Hα-helixtrans-63-38.6174.4-76.2-178.8-178.7140.49.7113Q109 T117Q109-R113 WeakPolarHBondContact O-CB 3.29Å; Q109-R113 VanDerWaalsContact O-CG 3.27Å; Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.32Å; Q109-R113 VanDerWaalsContact O-N 3.15Å; R113-T117 VanDerWaalsContact O-CB 3.22Å; R113-T117 WeakPolarHBondContact O-CB 3.43Å; R113-T117 PolarHBondContact O-N 3.48Å; R113-T117 PolarHBondContact O-OG1 3.34Å
114S82.1Confident82.7Confident71 Ų71107.5 Ų107.550%0.49752%0.524SS..Hα-helixtrans-71.8-38.6178.157.90000111.9A110 K111 D112 T117 M118A110-S114 VanDerWaalsContact O-CB 3.23Å; A110-S114 WeakPolarHBondContact O-CB 3.31Å; A110-S114 PolarHBondContact O-N 3.14Å; A110-S114 PolarHBondContact O-OG 2.89Å; K111-S114 WeakPolarHBondContact CA-OG 3.34Å; K111-S114 PolarHBondContact O-N 3.31Å; K111-S114 PolarHBondContact O-OG 3.4Å; D112-S114 PolarHBondContact O-N 3.34Å; S114-T117 PolarHBondContact O-N 3.25Å; S114-M118 WeakPolarHBondContact O-CB 3.19Å; S114-M118 PolarHBondContact O-N 2.9Å
115Y87.9Confident84Confident149 Ų149104.6 Ų104.658%0.58452%0.518SS*.Hα-helixtrans-66.4-45.5174.7-160.7-115.3000111.6K111 D112 T117 M118 M119K111-Y115 WeakPolarHBondContact O-CB 3.47Å; K111-Y115 PolarHBondContact O-N 3.27Å; D112-Y115 PolarHBondContact O-N 2.97Å; Y115-T117 VanDerWaalsContact C-N 3.32Å; Y115-T117 PolarHBondContact O-N 3.43Å; Y115-M118 PolarHBondContact O-N 3.47Å; Y115-M119 HydrophobicContact CD1-CE 3.45Å; Y115-M119 VanDerWaalsContact CD1-CE 3.45Å; Y115-M119 HydrophobicContact CD1-SD 4.09Å; Y115-M119 HydrophobicContact CE1-CE 3.77Å; Y115-M119 HydrophobicContact CE1-CG 4.48Å; Y115-M119 HydrophobicContact CE1-SD 3.81Å; Y115-M119 HydrophobicContact CG-CE 4.28Å; Y115-M119 WeakPolarHBondContact O-CB 3.33Å; Y115-M119 WeakPolarHBondContact O-CG 3.26Å; Y115-M119 PolarHBondContact O-N 3.43Å
116E89.2Confident85.2Confident93 Ų93104.3 Ų104.344%0.43552%0.52SS..Hα-helixtrans-55.3-46169.7-85.6-146.6123.600112.3D112 M119 K120D112-E116 WeakPolarHBondContact O-CB 3.18Å; D112-E116 PolarHBondContact O-N 2.84Å; E116-M119 PolarHBondContact O-N 3.36Å; E116-K120 WeakPolarHBondContact O-CB 3.42Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 2.92Å; E116-K120 IonicContact OE1-NZ 2.94Å; E116-K120 PolarHBondContact OE1-NZ 3.4Å; E116-K120 IonicContact OE2-NZ 2.63Å; E116-K120 PolarHBondContact OE2-NZ 2.76Å
117T90.8Very high86.4Confident68 Ų68101.8 Ų101.842%0.41752%0.517SS..Hα-helixtrans-64.1-46.8-178.4-63.30000110.5R113 S114 Y115 M119 K120 F121R113-T117 VanDerWaalsContact O-CB 3.22Å; R113-T117 WeakPolarHBondContact O-CB 3.43Å; R113-T117 PolarHBondContact O-N 3.48Å; R113-T117 PolarHBondContact O-OG1 3.34Å; S114-T117 PolarHBondContact O-N 3.25Å; Y115-T117 VanDerWaalsContact C-N 3.32Å; Y115-T117 PolarHBondContact O-N 3.43Å; T117-M119 PolarHBondContact O-N 3.46Å; T117-K120 PolarHBondContact O-N 2.89Å; T117-F121 HydrophobicContact CG2-CD2 3.73Å; T117-F121 HydrophobicContact CG2-CE2 3.68Å; T117-F121 VanDerWaalsContact O-CD2 3.29Å; T117-F121 WeakPolarHBondContact O-CD2 3.4Å; T117-F121 PolarHBondContact O-N 3.36Å
118M89.4Confident87.4Confident139 Ų139103 Ų10369%0.68552%0.524SS*.Hα-helixtrans-59.3-44.7175-175.7172.9-75.600111.7S114 Y115 K120 F121 G122S114-M118 WeakPolarHBondContact O-CB 3.19Å; S114-M118 PolarHBondContact O-N 2.9Å; Y115-M118 PolarHBondContact O-N 3.47Å; M118-K120 PolarHBondContact O-N 3.28Å; M118-F121 PolarHBondContact O-N 3.18Å; M118-G122 PolarHBondContact O-N 2.89Å
119M88.9Confident88.4Confident77 Ų77103.8 Ų103.838%0.37953%0.53SS..Hα-helixtrans-63.8-38.5174.6-73.2-171.3-69.700112.8Y115 E116 T117 G122 K123Y115-M119 HydrophobicContact CD1-CE 3.45Å; Y115-M119 VanDerWaalsContact CD1-CE 3.45Å; Y115-M119 HydrophobicContact CD1-SD 4.09Å; Y115-M119 HydrophobicContact CE1-CE 3.77Å; Y115-M119 HydrophobicContact CE1-CG 4.48Å; Y115-M119 HydrophobicContact CE1-SD 3.81Å; Y115-M119 HydrophobicContact CG-CE 4.28Å; Y115-M119 WeakPolarHBondContact O-CB 3.33Å; Y115-M119 WeakPolarHBondContact O-CG 3.26Å; Y115-M119 PolarHBondContact O-N 3.43Å; E116-M119 PolarHBondContact O-N 3.36Å; T117-M119 PolarHBondContact O-N 3.46Å; M119-G122 PolarHBondContact O-N 2.87Å; M119-K123 VanDerWaalsContact O-CB 3.31Å; M119-K123 WeakPolarHBondContact O-CB 3.43Å; M119-K123 VanDerWaalsContact O-CG 3.28Å; M119-K123 WeakPolarHBondContact O-CG 3.49Å; M119-K123 PolarHBondContact O-N 2.83Å
120K90.6Very high88.9Confident93 Ų93102.3 Ų102.340%0.40453%0.531SS..Hα-helixtrans-68-37.8177.3-73.4161.8-170.61750111.3E116 T117 M118 R124E116-K120 WeakPolarHBondContact O-CB 3.42Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 2.92Å; E116-K120 IonicContact OE1-NZ 2.94Å; E116-K120 PolarHBondContact OE1-NZ 3.4Å; E116-K120 IonicContact OE2-NZ 2.63Å; E116-K120 PolarHBondContact OE2-NZ 2.76Å; T117-K120 PolarHBondContact O-N 2.89Å; M118-K120 PolarHBondContact O-N 3.28Å; K120-R124 WeakPolarHBondContact O-CB 3.24Å; K120-R124 WeakPolarHBondContact O-CD 3.4Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 3.43Å
121F91.7Very high89.6Confident140 Ų140104 Ų10461%0.61453%0.532SS*.Hα-helixtrans-69.5-45.9171.6-83.7-72.8000112.5T117 M118 K123 R124 G125T117-F121 HydrophobicContact CG2-CD2 3.73Å; T117-F121 HydrophobicContact CG2-CE2 3.68Å; T117-F121 VanDerWaalsContact O-CD2 3.29Å; T117-F121 WeakPolarHBondContact O-CD2 3.4Å; T117-F121 PolarHBondContact O-N 3.36Å; M118-F121 PolarHBondContact O-N 3.18Å; F121-K123 PolarHBondContact O-N 3.45Å; F121-R124 PolarHBondContact O-N 3.38Å; F121-G125 PolarHBondContact O-N 3.43Å
122G94.5Very high90.3Very high46 Ų4699.9 Ų99.947%0.47453%0.525SS..Hα-helixtrans-58.8-47.5176.900000112.7M118 M119 R124 G125 L126M118-G122 PolarHBondContact O-N 2.89Å; M119-G122 PolarHBondContact O-N 2.87Å; G122-R124 VanDerWaalsContact C-N 3.34Å; G122-R124 PolarHBondContact O-N 2.97Å; G122-G125 PolarHBondContact O-N 3.01Å; G122-L126 WeakPolarHBondContact O-CB 3.28Å; G122-L126 PolarHBondContact O-N 3.17Å
123K92.4Very high90.7Very high145 Ų14597.9 Ų97.963%0.6352%0.522SS*.Hα-helixtrans-63.7-34.7176.4-72.9176.4179.2-178.60112.9M119 F121 N127M119-K123 VanDerWaalsContact O-CB 3.31Å; M119-K123 WeakPolarHBondContact O-CB 3.43Å; M119-K123 VanDerWaalsContact O-CG 3.28Å; M119-K123 WeakPolarHBondContact O-CG 3.49Å; M119-K123 PolarHBondContact O-N 2.83Å; F121-K123 PolarHBondContact O-N 3.45Å; K123-N127 WeakPolarHBondContact O-CB 3.28Å; K123-N127 PolarHBondContact O-N 3.15Å; K123-N127 VanDerWaalsContact O-N 3.07Å
124R92.7Very high91.1Very high169 Ų16995.2 Ų95.264%0.63852%0.522SS*.Hα-helixtrans-69.9-45.5173.9-77.8170.9178156.4-2112.1K120 F121 G122 L126 N127 L128K120-R124 WeakPolarHBondContact O-CB 3.24Å; K120-R124 WeakPolarHBondContact O-CD 3.4Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 3.43Å; F121-R124 PolarHBondContact O-N 3.38Å; G122-R124 VanDerWaalsContact C-N 3.34Å; G122-R124 PolarHBondContact O-N 2.97Å; R124-L126 PolarHBondContact O-N 3.46Å; R124-N127 PolarHBondContact O-N 3.48Å; R124-L128 WeakPolarHBondContact O-CB 3.42Å; R124-L128 PolarHBondContact O-N 2.99Å
125G92.3Very high91.3Very high41 Ų4194.8 Ų94.842%0.42352%0.517SS..Hα-helixtrans-60.3-44.6176.100000112.1F121 G122 L128 A129F121-G125 PolarHBondContact O-N 3.43Å; G122-G125 PolarHBondContact O-N 3.01Å; G125-L128 PolarHBondContact O-N 2.83Å; G125-A129 WeakPolarHBondContact O-CB 3.46Å; G125-A129 PolarHBondContact O-N 3.2Å
126L95Very high91.3Very high130 Ų13090.8 Ų90.868%0.68151%0.514SS*.Hα-helixtrans-66-40.7177.6-166.967.6000112.4G122 R124 A129 A130G122-L126 WeakPolarHBondContact O-CB 3.28Å; G122-L126 PolarHBondContact O-N 3.17Å; R124-L126 PolarHBondContact O-N 3.46Å; L126-A129 PolarHBondContact O-N 3.01Å; L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.32Å
127N93.5Very high91.2Very high104 Ų10489.4 Ų89.456%0.55652%0.519SS*.Hα-helixtrans-65.9-38.4173.8-108.9-58.1000112.6K123 R124 A130 N131K123-N127 WeakPolarHBondContact O-CB 3.28Å; K123-N127 PolarHBondContact O-N 3.15Å; K123-N127 VanDerWaalsContact O-N 3.07Å; R124-N127 PolarHBondContact O-N 3.48Å; N127-A130 PolarHBondContact O-N 3.46Å; N127-N131 WeakPolarHBondContact O-CB 3.19Å; N127-N131 PolarHBondContact O-N 3.17Å; N127-N131 PolarHBondContact O-ND2 3.29Å
128L91.8Very high90.8Very high129 Ų12990.4 Ų90.468%0.67553%0.525SS*.Hα-helixtrans-65.5-44.1176.2-176.861.3000110.9R124 G125 N131 A132R124-L128 WeakPolarHBondContact O-CB 3.42Å; R124-L128 PolarHBondContact O-N 2.99Å; G125-L128 PolarHBondContact O-N 2.83Å; L128-N131 PolarHBondContact O-N 2.83Å; L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.43Å; L128-A132 PolarHBondContact O-N 2.93Å
129A93.4Very high90.4Very high59 Ų5990.8 Ų90.849%0.48852%0.523SS..Hα-helixtrans-62.4-42.8174.600000112.3G125 L126 A132 A133G125-A129 WeakPolarHBondContact O-CB 3.46Å; G125-A129 PolarHBondContact O-N 3.2Å; L126-A129 PolarHBondContact O-N 3.01Å; A129-A132 PolarHBondContact O-N 2.93Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 2.94Å
130A91.4Very high89.7Confident45 Ų4588.2 Ų88.237%0.37252%0.517SS..Hα-helixtrans-63.2-47.7176.900000112.1L126 N127 A132 A133 V134L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.32Å; N127-A130 PolarHBondContact O-N 3.46Å; A130-A132 VanDerWaalsContact C-N 3.35Å; A130-A132 PolarHBondContact O-N 3.34Å; A130-A133 PolarHBondContact O-N 2.79Å; A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 3.15Å
131N91.8Very high88.5Confident94 Ų9490.4 Ų90.450%0.50353%0.528SS..Hα-helixtrans-64.9-37.6176.8-77.1-70.4000112.1N127 L128 T135N127-N131 WeakPolarHBondContact O-CB 3.19Å; N127-N131 PolarHBondContact O-N 3.17Å; N127-N131 PolarHBondContact O-ND2 3.29Å; L128-N131 PolarHBondContact O-N 2.83Å; N131-T135 VanDerWaalsContact O-CB 3.25Å; N131-T135 WeakPolarHBondContact O-CB 3.01Å; N131-T135 PolarHBondContact O-N 2.92Å; N131-T135 PolarHBondContact O-OG1 3.18Å
132A90.6Very high87.3Confident57 Ų5785.1 Ų85.147%0.47151%0.513SS..Hα-helixtrans-64.7-43.1173.400000112L128 A129 A130 T135 A136L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.43Å; L128-A132 PolarHBondContact O-N 2.93Å; A129-A132 PolarHBondContact O-N 2.93Å; A130-A132 VanDerWaalsContact C-N 3.35Å; A130-A132 PolarHBondContact O-N 3.34Å; A132-T135 PolarHBondContact O-N 2.83Å; A132-A136 WeakPolarHBondContact O-CB 3.25Å; A132-A136 PolarHBondContact O-N 2.83Å
133A92.5Very high85.7Confident59 Ų5987.4 Ų87.449%0.48852%0.518SS..Hα-helixtrans-65.3-43.9177.500000112.2A129 A130 A136 A137A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 2.94Å; A130-A133 PolarHBondContact O-N 2.79Å; A133-A136 PolarHBondContact O-N 3.44Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.46Å
134V91Very high84.2Confident91 Ų9185.2 Ų85.255%0.55251%0.512SS*.Hα-helixtrans-63.1-42.1174.2171.20000111A130 A136 A137 T138A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 3.15Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.69Å; V134-A137 PolarHBondContact O-N 2.94Å; V134-T138 HydrophobicContact CG1-CG2 4.44Å; V134-T138 WeakPolarHBondContact O-CB 3.25Å; V134-T138 WeakPolarHBondContact O-CG2 3.36Å; V134-T138 PolarHBondContact O-N 3.26Å; V134-T138 PolarHBondContact O-OG1 3.43Å
135T86.9Confident82.8Confident62 Ų6280.4 Ų80.438%0.3850%0.504SS..Hα-helixtrans-63.2-38.4174.5-59.10000112.2N131 A132 T138 K139N131-T135 VanDerWaalsContact O-CB 3.25Å; N131-T135 WeakPolarHBondContact O-CB 3.01Å; N131-T135 PolarHBondContact O-N 2.92Å; N131-T135 PolarHBondContact O-OG1 3.18Å; A132-T135 PolarHBondContact O-N 2.83Å; T135-T138 WeakPolarHBondContact CA-OG1 3.23Å; T135-T138 PolarHBondContact O-OG1 3.41Å; T135-K139 HydrophobicContact CG2-CD 3.9Å; T135-K139 VanDerWaalsContact O-CB 3.31Å; T135-K139 WeakPolarHBondContact O-CB 3.16Å; T135-K139 VanDerWaalsContact O-CG 3.3Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.6Å; T135-K139 VanDerWaalsContact O-N 3.1Å
136A86.4Confident81.3Confident65 Ų6583.5 Ų83.554%0.53751%0.511SS..Hα-helixtrans-71.8-40.8177.500000112.1A132 A133 V134 G140A132-A136 WeakPolarHBondContact O-CB 3.25Å; A132-A136 PolarHBondContact O-N 2.83Å; A133-A136 PolarHBondContact O-N 3.44Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.69Å; A136-G140 VanDerWaalsContact O-CA 3.32Å; A136-G140 WeakPolarHBondContact O-CA 3.5Å; A136-G140 PolarHBondContact O-N 3.3Å
137A87.1Confident79.7Confident64 Ų6483.8 Ų83.853%0.52951%0.507SS..Hα-helixtrans-65.3-48176.700000111.8A133 V134 G140 Q141A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.46Å; V134-A137 PolarHBondContact O-N 2.94Å; A137-G140 PolarHBondContact O-N 2.66Å; A137-Q141 PolarHBondContact O-N 2.76Å; A137-Q141 VanDerWaalsContact O-N 3.11Å
138T83.2Confident78.1Confident90 Ų9084.8 Ų84.855%0.55251%0.512SS*.Hα-helixtrans-64.4-46179.348.10000112.6V134 T135 G140V134-T138 HydrophobicContact CG1-CG2 4.44Å; V134-T138 WeakPolarHBondContact O-CB 3.25Å; V134-T138 WeakPolarHBondContact O-CG2 3.36Å; V134-T138 PolarHBondContact O-N 3.26Å; V134-T138 PolarHBondContact O-OG1 3.43Å; T135-T138 WeakPolarHBondContact CA-OG1 3.23Å; T135-T138 PolarHBondContact O-OG1 3.41Å; T138-G140 VanDerWaalsContact C-N 3.34Å
139K81.7Confident76.7Confident146 Ų14688 Ų8864%0.63552%0.515SS*.Hα-helixtrans-70.6-31175.2-67.1178.7-179.7177.60112.5T135 G142 V143T135-K139 HydrophobicContact CG2-CD 3.9Å; T135-K139 VanDerWaalsContact O-CB 3.31Å; T135-K139 WeakPolarHBondContact O-CB 3.16Å; T135-K139 VanDerWaalsContact O-CG 3.3Å; T135-K139 WeakPolarHBondContact O-CG 3.46Å; T135-K139 PolarHBondContact O-N 2.6Å; T135-K139 VanDerWaalsContact O-N 3.1Å; K139-G142 PolarHBondContact O-N 3.23Å; K139-V143 PolarHBondContact O-N 2.97Å
140G73.9Confident75Confident24 Ų2487.2 Ų87.225%0.24751%0.506CS..Hα-helixtrans-61.6-40.9176.800000113.1A136 A137 T138 G142 V143 L144A136-G140 VanDerWaalsContact O-CA 3.32Å; A136-G140 WeakPolarHBondContact O-CA 3.5Å; A136-G140 PolarHBondContact O-N 3.3Å; A137-G140 PolarHBondContact O-N 2.66Å; T138-G140 VanDerWaalsContact C-N 3.34Å; G140-G142 PolarHBondContact O-N 3.01Å; G140-V143 WeakPolarHBondContact O-CG2 3.5Å; G140-L144 PolarHBondContact O-N 3.37Å
141Q65.4Low73.4Confident139 Ų13992 Ų9265%0.6552%0.519SS*.Hα-helixtrans-60.2-43.5173.2-75.2-70.5-79.300112.2A137 L144 S145A137-Q141 PolarHBondContact O-N 2.76Å; A137-Q141 VanDerWaalsContact O-N 3.11Å; Q141-L144 PolarHBondContact O-N 2.87Å; Q141-S145 PolarHBondContact O-N 3.14Å; Q141-S145 PolarHBondContact O-OG 3.29Å
142G65.4Low71.8Confident29 Ų2992 Ų9230%0.29953%0.526SS..Hα-helixtrans-58-52.3178.200000113.2K139 G140 L144 S145 D146K139-G142 PolarHBondContact O-N 3.23Å; G140-G142 PolarHBondContact O-N 3.01Å; G142-L144 PolarHBondContact O-N 2.98Å; G142-S145 WeakPolarHBondContact CA-OG 3.44Å; G142-S145 PolarHBondContact O-N 3.37Å; G142-S145 VanDerWaalsContact O-N 3.11Å; G142-S145 PolarHBondContact O-OG 3.45Å; G142-D146 PolarHBondContact O-N 2.86Å
143V61Low70.1Confident94 Ų9496.4 Ų96.457%0.5754%0.539SS*.Hα-helixtrans-68.3-21.1-179.6-61.30000113.7K139 G140 K147K139-V143 PolarHBondContact O-N 2.97Å; G140-V143 WeakPolarHBondContact O-CG2 3.5Å; V143-K147 PolarHBondContact O-N 2.8Å
144L60.7Low68.5Low99 Ų9999 Ų9952%0.51854%0.541SS..Hα-helixtrans-73.8-44.6169.6-87.5157.9000111.4G140 Q141 G142 D146 K147 L148G140-L144 PolarHBondContact O-N 3.37Å; Q141-L144 PolarHBondContact O-N 2.87Å; G142-L144 PolarHBondContact O-N 2.98Å; L144-D146 PolarHBondContact O-N 3.32Å; L144-K147 PolarHBondContact O-N 3.17Å; L144-L148 WeakPolarHBondContact O-CB 3.08Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.07Å
145S64.5Low66.5Low67 Ų67100.4 Ų100.447%0.46955%0.545SS..Hα-helixtrans-63-3917443.70000112.9Q141 G142 L148 R149Q141-S145 PolarHBondContact O-N 3.14Å; Q141-S145 PolarHBondContact O-OG 3.29Å; G142-S145 WeakPolarHBondContact CA-OG 3.44Å; G142-S145 PolarHBondContact O-N 3.37Å; G142-S145 VanDerWaalsContact O-N 3.11Å; G142-S145 PolarHBondContact O-OG 3.45Å; S145-L148 PolarHBondContact O-N 3.39Å; S145-R149 VanDerWaalsContact O-CB 3.24Å; S145-R149 WeakPolarHBondContact O-CB 3.43Å; S145-R149 PolarHBondContact O-N 2.76Å
146D60.1Low64.8Low106 Ų106105.4 Ų105.457%0.56757%0.569SS**Hα-helixtrans-66.1-41.6177.7-71.5-35.8000112G142 L144 R149 S150G142-D146 PolarHBondContact O-N 2.86Å; L144-D146 PolarHBondContact O-N 3.32Å; D146-R149 PolarHBondContact O-N 2.88Å; D146-S150 PolarHBondContact O-N 3.41Å
147K60.7Low63.4Low137 Ų137107.1 Ų107.160%0.59657%0.573SS**Hα-helixtrans-65.9-42.2174.5-98-171.3170.2-173.90113.1V143 L144 R149 S150 F151V143-K147 PolarHBondContact O-N 2.8Å; L144-K147 PolarHBondContact O-N 3.17Å; K147-R149 VanDerWaalsContact C-N 3.31Å; K147-R149 PolarHBondContact O-N 2.94Å; K147-S150 PolarHBondContact O-N 2.85Å; K147-S150 PolarHBondContact O-OG 3.15Å; K147-F151 WeakPolarHBondContact O-CD2 3.4Å; K147-F151 PolarHBondContact O-N 3.17Å; K147-F151 VanDerWaalsContact O-N 3.07Å
148L60.2Low61.6Low124 Ų124109.1 Ų109.165%0.64957%0.574SS**Hα-helixtrans-64.3-39.4176.5-71.5168.1000110.9L144 S145 S152L144-L148 WeakPolarHBondContact O-CB 3.08Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.07Å; S145-L148 PolarHBondContact O-N 3.39Å; L148-S152 WeakPolarHBondContact O-CB 3.41Å; L148-S152 PolarHBondContact O-N 2.9Å
149R62.6Low60.2Low196 Ų196112 Ų11274%0.7458%0.584SS**Hα-helixtrans-68.3-34.6175.4-173.4175.8176.184.82.7112.9S145 D146 K147S145-R149 VanDerWaalsContact O-CB 3.24Å; S145-R149 WeakPolarHBondContact O-CB 3.43Å; S145-R149 PolarHBondContact O-N 2.76Å; D146-R149 PolarHBondContact O-N 2.88Å; K147-R149 VanDerWaalsContact C-N 3.31Å; K147-R149 PolarHBondContact O-N 2.94Å
150S57.6Low58.7Low43 Ų43112.2 Ų112.230%0.30159%0.593SS.*Hα-helixtrans-68.1-54.5175.872.20000111D146 K147 S152 M153 Q154D146-S150 PolarHBondContact O-N 3.41Å; K147-S150 PolarHBondContact O-N 2.85Å; K147-S150 PolarHBondContact O-OG 3.15Å; S150-S152 PolarHBondContact O-N 3.05Å; S150-S152 VanDerWaalsContact O-N 3.16Å; S150-M153 PolarHBondContact O-N 3.15Å; S150-Q154 VanDerWaalsContact C-OE1 3.28Å; S150-Q154 PolarHBondContact O-N 3.13Å; S150-Q154 PolarHBondContact O-NE2 3.06Å; S150-Q154 PolarHBondContact O-OE1 2.83Å
151F57.7Low57.7Low146 Ų146115.9 Ų115.964%0.6461%0.61SS**Hα-helixtrans-57.1-34.8-179.1-77.2-61.9000112.8K147 M153K147-F151 WeakPolarHBondContact O-CD2 3.4Å; K147-F151 PolarHBondContact O-N 3.17Å; K147-F151 VanDerWaalsContact O-N 3.07Å; F151-M153 PolarHBondContact O-N 3.45Å; F151-M153 VanDerWaalsContact O-N 3.17Å
152S58.7Low57Low95 Ų95117.2 Ų117.266%0.66462%0.616SS**Hα-helixtrans-69-5.2177.5-1720000115.6L148 S150L148-S152 WeakPolarHBondContact O-CB 3.41Å; L148-S152 PolarHBondContact O-N 2.9Å; S150-S152 PolarHBondContact O-N 3.05Å; S150-S152 VanDerWaalsContact O-N 3.16Å
153M54.7Low56.4Low148 Ų148124.1 Ų124.173%0.72965%0.647SS**Hα-helixtrans-128.3-5.4-173.9-88.3-77.3167.700115.2S150 F151S150-M153 PolarHBondContact O-N 3.15Å; F151-M153 PolarHBondContact O-N 3.45Å; F151-M153 VanDerWaalsContact O-N 3.17Å
154Q58.3Low55.8Low113 Ų113127.8 Ų127.853%0.52866%0.657SS.*Hα-helixtrans-86.6-24.4171-80.984.883.100113.2S150 T157S150-Q154 VanDerWaalsContact C-OE1 3.28Å; S150-Q154 PolarHBondContact O-N 3.13Å; S150-Q154 PolarHBondContact O-NE2 3.06Å; S150-Q154 PolarHBondContact O-OE1 2.83Å; Q154-T157 PolarHBondContact O-OG1 3.29Å
155D50.9Low55.3Low122 Ų122131 Ų13165%0.65267%0.674SS**G310 helixtrans-78.1-25.1-166.1-152.239.3000113.8T157D155-T157 VanDerWaalsContact C-N 3.25Å; D155-T157 PolarHBondContact O-N 3.12Å
156L50.7Low54Low166 Ų166135.7 Ų135.787%0.86969%0.694SS**G310 helixtrans-80.41.5-175-143.975.5000114.6
157T55.8Low53.2Low101 Ų101137.5 Ų137.562%0.6270%0.703SS**G310 helixtrans-104.2-15.3179.633.70000115Q154 D155Q154-T157 PolarHBondContact O-OG1 3.29Å; D155-T157 VanDerWaalsContact C-N 3.25Å; D155-T157 PolarHBondContact O-N 3.12Å
158L50.4Low52.2Low106 Ų106139.1 Ų139.156%0.55571%0.712SS**THydrogen-bonded Turntrans-79.1-32.9-175.1-96.7166.2000114N160 T161L158-N160 PolarHBondContact O-N 3.27Å; L158-T161 PolarHBondContact O-N 3.38Å; L158-T161 PolarHBondContact O-OG1 3.01Å
159I52.7Low50.9Low151 Ų151140 Ų14077%0.77472%0.723SS**THydrogen-bonded Turntrans-74.9-5.2-172.5-59.9175.2000112.9
160N51.5Low49.7Very low151 Ų151134.9 Ų134.981%0.80772%0.723SS**THydrogen-bonded Turntrans-108.411.6-179-153.7107.5000113.3L158L158-N160 PolarHBondContact O-N 3.27Å
161T52.6Low48.8Very low101 Ų101140.6 Ų140.662%0.6275%0.745SS**SBendtrans-13425.4-173.653.40000114.2L158L158-T161 PolarHBondContact O-N 3.38Å; L158-T161 PolarHBondContact O-OG1 3.01Å
162E51.1Low47.7Very low166 Ų166138.1 Ų138.178%0.77674%0.741SS**SBendtrans-103.9-2.7-178.3-56-164.7147.300114.1
163D51.6Low46.7Very low175 Ų175143.1 Ų143.194%0.93675%0.746SS**SBendtrans-96.4-8.7-174.4-95.9-49.4000115.7
164E48.6Very low45.9Very low170 Ų170141.5 Ų141.579%0.79474%0.744SS**SBendtrans-140.295.6-172.8-163.5-174.8134.100113.7
165L50.1Low44.7Very low166 Ų166147.3 Ų147.387%0.86976%0.761SS**  trans156.496.1137.2-85.8166.6000112.7
166D37.8Very low43.8Very low166 Ų166152.5 Ų152.589%0.88877%0.772SS**  trans-152.186.2158-154.5-13.1000111.6
167L42.5Very low43.1Very low145 Ų145153.2 Ų153.276%0.75977%0.771SS**  trans-160.9137.5179.6-120.6155.2000112.4
168H39.6Very low42Very low171 Ų171156.9 Ų156.979%0.79278%0.78SS**  trans65.9122.9-178.3-61.5-85.7000116
169T34.3Very low41.6Very low141 Ų141158.2 Ų158.287%0.86579%0.785SS**  -168.2158.463.2-63.80000111.2
170A37.1Very low40.8Very low90 Ų90157.7 Ų157.774%0.74478%0.784SS**  trans-147.2154.5-178.400000117
171E37.5Very low39.9Very low162 Ų162158.2 Ų158.276%0.75778%0.782SS**  trans84.7163.1147.6-128.4-96.810200122.1
172V35.7Very low39.1Very low94 Ų94161 Ų16157%0.5779%0.79SS**  trans65.1144.7168.5-100.30000121.4
173R37.6Very low38.2Very low201 Ų201157.9 Ų157.976%0.75879%0.786SS**  cis-159.2121.2-1.1-158.9157.7-167.784.2-0.5118.2
174T36.7Very low37.4Very low113 Ų113155 Ų15569%0.69378%0.78SS**  trans16.1139.2147.271.30000129.2
175R34.7Very low36.8Very low236 Ų236150.5 Ų150.589%0.89178%0.779SS**  85.4125.7121.5180-172.4-167.7-161.67.3125.3
176R30.7Very low36.2Very low230 Ų230148 Ų14887%0.86878%0.775SS**  -178.9164120-158.3161.2-172.6124.62114.1
177E37.7Very low36.3Very low182 Ų182144.7 Ų144.785%0.8577%0.765SS**  trans-135.2160.6-178.7-63.2-177.9138.400114.8
178H31.5Very low36.2Very low177 Ų177144.3 Ų144.382%0.81977%0.769SS**  trans-166.8165.9148.2-155.6-90.5000111.7
179M42.2Very low36.7Very low134 Ų134143.8 Ų143.866%0.6677%0.771SS**  trans-128-172.5-174.2-39.182.167.700112.2
180D36.5Very low37.5Very low141 Ų141142 Ų14275%0.75476%0.762SS**  cis-161.6-174.58.4-139.2-51.4000113.1
181E31.1Very low37.4Very low162 Ų162147.4 Ų147.476%0.75776%0.763SS**  trans67.1154.9171.8-83.5-171.972.900118.8
182M36.8Very low37.4Very low160 Ų160143.7 Ų143.779%0.78876%0.76SS**  cis-147.1149.415.8-157.4-177-152.300114.6
183S32.3Very low37.4Very low100 Ų100148.6 Ų148.670%0.69977%0.769SS**  trans-1.3132.3164.2-173.90000122.5
184S35.2Very low37.4Very low115 Ų115144.1 Ų144.180%0.80477%0.768SS**  167.8142.1105.5-71.10000116.2
185G34.8Very low37.4Very low75 Ų75143.5 Ų143.577%0.77377%0.768SS**  trans105.2117.8147.500000119.8
186S38.3Very low37.6Very low112 Ų112137.6 Ų137.678%0.78376%0.763SS**  trans35.9110.9160.6-63.40000120
187S38.8Very low38Very low98 Ų98131.1 Ų131.169%0.68576%0.759SS**  59.212670.981.70000114.7
188T41Very low38.1Very low136 Ų136132.2 Ų132.283%0.83476%0.755SS**  cis-158.51484.9-4.70000112.1
189L49.8Very low38.3Very low161 Ų161130.9 Ų130.984%0.84375%0.749SS**  trans-84.4-159.2164.2-58.3165.9000108.6
190P52.4Low38Very low104 Ų104130.6 Ų130.668%0.67576%0.755SS**  cis-143.1-166.4-7.340.4-19.2000115.9
191R35.1Very low38Very low202 Ų202134.7 Ų134.776%0.76276%0.76SS**  trans73.3163.8151.6-110.674.6170.9118.8-2116.7
192A35.8Very low38.3Very low84 Ų84132.2 Ų132.269%0.69476%0.76SS**  cis-141.7138.9-6.200000108.8
193R36.5Very low38.4Very low198 Ų198129.6 Ų129.675%0.74776%0.758SS**  73.1131.772.7-133.6-169.7-172.9-160.1-1.5115
194S36.8Very low38.8Very low106 Ų106129.2 Ų129.274%0.74176%0.761SS**  trans67.8153.5159.328.80000118.7
195S37.4Very low39.5Very low101 Ų101129.4 Ų129.471%0.70676%0.759SS**  cis-172.4156-9.543.40000111.7
196S39.2Very low39.6Very low111 Ų111132.8 Ų132.878%0.77676%0.764SS**  trans63.3139.9159-55.50000117.2
197A37.8Very low39.9Very low94 Ų94131.8 Ų131.878%0.77776%0.763SS**  cis65.9135.646.600000112.7
198R40Very low39.8Very low206 Ų206134.7 Ų134.778%0.77777%0.771SS**  cis-173155.3-0.2134.6-167.2-94.9-141.13.1109
199H36.8Very low39.8Very low148 Ų148134.8 Ų134.869%0.68577%0.767SS**  trans64.8164.2170.7-65.1-43.1000116.3
200T34.8Very low39.4Very low129 Ų129133.6 Ų133.679%0.79177%0.766SS**  cis-149.6175.81.2-10.70000113.3
201R36.9Very low38.9Very low226 Ų226133.7 Ų133.785%0.85377%0.769SS**  trans-53.1159.8-177.4-65.3170.6159.9172.1-7.8119.7
202S38.7Very low38.9Very low110 Ų110129.4 Ų129.477%0.76977%0.77SS**  trans70.3153.714359.70000118.8
203S37.8Very low39Very low106 Ų106134.3 Ų134.374%0.74178%0.779SS**  cis-158.2156.521.6-44.80000114.5
204A40.7Very low38.7Very low92 Ų92134.2 Ų134.276%0.7679%0.786SS**  trans60.7177.9157.200000117.8
205P49.3Very low38.6Very low118 Ų118132.5 Ų132.577%0.76679%0.786SS**  cis-95.9158.64.9123.2000114.5
206V38.8Very low38.6Very low146 Ų146133.4 Ų133.489%0.88579%0.792SS**  74.6136.972-173.20000114.1
207A43.2Very low38.3Very low91 Ų91136 Ų13675%0.75280%0.797SS**  trans-113.4176.9-169.400000112.9
208D36.3Very low38.5Very low159 Ų159139 Ų13985%0.8580%0.795SS**  trans-150.6162.6131.2-144-17.9000111
209D41.8Very low38.3Very low139 Ų139134.9 Ų134.974%0.74380%0.797SS**  trans-136139.6-177.7-174.93.1000109.8
210T41.7Very low38.5Very low135 Ų135134.4 Ų134.483%0.82880%0.8SS**  trans-159.1124.7173.1-20.20000112.6
211S41.1Very low38.5Very low106 Ų106134.8 Ų134.874%0.74180%0.802SS**  trans-118.7134.8178.5176.40000111.5
212S34.8Very low38.3Very low113 Ų113134.6 Ų134.679%0.7980%0.802SS**  trans-161.7107.4164.2-80.40000112.9
213Q38.6Very low38.4Very low186 Ų186136.1 Ų136.187%0.86981%0.806SS**  trans13.8127.7144.1-52.1171.835.800119.8
214H31.1Very low38.3Very low197 Ų197140 Ų14091%0.91281%0.813SS**  -152.7161.4113.5-156.431.3000111
215G34.5Very low38Very low70 Ų70143.9 Ų143.972%0.72282%0.815SS**  trans-85.9165-158.500000116.9
216S37.2Very low37.6Very low120 Ų120141.8 Ų141.884%0.83980%0.803SS**  trans-130.1115.7165.7570000108.3
217D32.2Very low37.7Very low165 Ų165141 Ų14188%0.88279%0.794SS**  trans-78.4160.6-165.6-132.8-41.2000114.3
218Q42.9Very low37.4Very low158 Ų158144.1 Ų144.174%0.73880%0.798SS**  trans-83146.2-173.2-167.1169.85000111.7
219S35.2Very low37.3Very low118 Ų118142.8 Ų142.883%0.82579%0.791SS**  trans-156.467.6178.3-75.80000113.1T221S219-T221 PolarHBondContact O-N 3.41Å
220D40.6Very low37Very low139 Ų139143.7 Ų143.774%0.74380%0.795SS**  trans-70.4114.5168.2-77.3-72.3000112.1
221T34.5Very low36.5Very low136 Ų136140.8 Ų140.883%0.83479%0.791SS**  trans-155.5147.5154.545.90000109.1S219S219-T221 PolarHBondContact O-N 3.41Å
222R33.3Very low36.1Very low223 Ų223142 Ų14284%0.84279%0.79SS**  cis-171.2114.4-18.8166.4-175.1169.1120.22.9104.9
223T40.3Very low36Very low142 Ų142145.1 Ų145.187%0.87179%0.789SS**  trans-129.595.5-178.7-52.30000110.7
224E36.3Very low35.7Very low188 Ų188140.5 Ų140.588%0.87978%0.782SS**  trans-141.8159.5163.7-73.7-161.4119.800109.9
225H35.4Very low36.8Very low173 Ų173136.6 Ų136.680%0.80178%0.775SS**  trans-152.9146.7-157.9156.654.1000109.1
226S39Very low36.5Very low74 Ų74143.5 Ų143.552%0.51779%0.785SS.*  trans68.8154176.5-71.90000115.9
227D41.4Very low36.1Very low130 Ų130148.8 Ų148.870%0.69579%0.787SS**  cis-158.3-176.4-20.2-102.1-32.5000108.7
228D37.5Very low35.9Very low155 Ų155146.4 Ų146.483%0.82978%0.783SS**  trans70150.3162.6-56.5-33.8000117.8
229D33.5Very low35.4Very low132 Ų132143.1 Ų143.171%0.70678%0.782SS**  cis-150.6172-7.3-167.4-151.4000111.8
230L35.8Very low35.2Very low158 Ų158142.7 Ų142.783%0.82778%0.779SS**  trans13.4147.8157.7-103.762.7000122.7
231G31.7Very low34.7Very low73 Ų73142.6 Ų142.675%0.75378%0.783SS**  trans-173.8-9.316700000126.7
232D32.2Very low34.4Very low133 Ų133141.1 Ų141.171%0.71177%0.774SS**  trans58.4162.3166-166.2-145000121.4
233K31.8Very low34.2Very low177 Ų177140 Ų14077%0.7778%0.776SS**  trans63.2117.7162.2-87173.6-165.979.50122.5
234A32.3Very low33.7Very low89 Ų89138.3 Ų138.374%0.73677%0.765SS**  trans-107.7-171.314200000109.2
235P56Low33.4Very low115 Ų115135.3 Ų135.375%0.74776%0.76SS**  cis-124177.6-38.238.3-25.9000111.9
236K27.6Very low33.2Very low216 Ų216136.3 Ų136.394%0.93976%0.762SS**  trans-166.8162.3144.2-110.3150.6-169.9173.80115.6
237R28.8Very low32.8Very low231 Ų231141.9 Ų141.987%0.87278%0.777SS**  trans-94.4157.1178.7-55.1149.281.5177.37.4110.1
238S28.7Very low32.3Very low115 Ų115141.9 Ų141.980%0.80478%0.781SS**  164.2156.4118.1-73.20000113.9
239A32.2Very low32Very low88 Ų88139.3 Ų139.373%0.72778%0.782SS**  trans49.2118.9160.500000119.4
240S29.1Very low32.1Very low109 Ų109137.6 Ų137.676%0.76279%0.786SS**  cis81.9149.641.482.60000115.7
241V31.8Very low31.8Very low137 Ų137136.7 Ų136.783%0.8379%0.786SS**  trans100.6140.1177.7178.40000114.3
242T26.8Very low31.8Very low105 Ų105142 Ų14264%0.64479%0.789SS**  cis179.9133.1-43.3-88.30000107.8T244T242-T244 WeakPolarHBondContact CG2-OG1 3.49Å
243K30.7Very low31.7Very low201 Ų201142.6 Ų142.687%0.87480%0.797SS**  trans-174.7114.8157.2-101.8155-174.1178.20105.7
244T28.9Very low31.7Very low106 Ų106141.8 Ų141.865%0.6580%0.796SS**  cis59.1130.642.6-0.40000111.2T242T242-T244 WeakPolarHBondContact CG2-OG1 3.49Å
245T29.5Very low32.1Very low125 Ų125142.4 Ų142.477%0.76779%0.793SS**  cis-159.5174.340.7-39.70000114.1
246K31.9Very low30.9Very low194 Ų194144.5 Ų144.584%0.84379%0.793SS**  trans91.3133.3177.9-65.5-172.1178.4-177.10115.7
247K31.1Very low31Very low190 Ų190138.9 Ų138.983%0.82678%0.777SS**  cis65.2152.4-14.8-103.3-177175.7-177.50118.3
248V30.2Very low31.2Very low131 Ų131136.5 Ų136.579%0.79477%0.773SS**  cis-138.314016.6-179.40000111.3
249A32.2Very low31.4Very low101 Ų101137.4 Ų137.484%0.83577%0.773SS**  trans-159.2161159.400000109.9
250A33.8Very low31.4Very low95 Ų95139.4 Ų139.479%0.78578%0.776SS**  trans-168.1-157.6172.900000110.8
251V31Very low31.5Very low139 Ų139143 Ų14384%0.84278%0.778SS**  trans83.8137173.1-170.50000115.1
252K31.6Very low31.4Very low185 Ų185146 Ų14680%0.80478%0.78SS**  cis151111.7-36.3172.6-147.4172.6-174.50109.6
253T29.7Very low31.7Very low145 Ų145146.8 Ų146.889%0.8978%0.784SS**  trans-159140.2150.53.80000114.1
254E32.4Very low31.7Very low161 Ų161142.7 Ų142.775%0.75278%0.777SS**  trans-121.5174157.3-127.5-156.2103.800105.3
255P40Very low31.9Very low102 Ų102146.8 Ų146.866%0.66279%0.785SS**  cis-153.8165.241.541.8-20.2000119.8
256Q32Very low32Very low159 Ų159151.1 Ų151.174%0.74379%0.793SS**  trans58.9165.5147-71.3-171.752.200120.3
257T29.1Very low32.1Very low98 Ų98150.7 Ų150.760%0.60179%0.792SS**  cis-159.2164.325.4-240000113.3
258K33.4Very low32.2Very low181 Ų181147.8 Ų147.879%0.78779%0.79SS**  trans69.2139.6153.8-76.6157-174.7172.50117.9
259T31.7Very low32.5Very low134 Ų134146.6 Ų146.682%0.82278%0.783SS**  cis-160.3-164.2-13.72.30000107.7
260V32.4Very low32.6Very low130 Ų130147.7 Ų147.779%0.78878%0.78SS**  cis-141.4-112.715.366.40000114
261K31.3Very low32.5Very low183 Ų183150.1 Ų150.180%0.79678%0.779SS**  trans-160.1137.3-166.1-61.4177.5-178.7174.50115.5
262K30.3Very low32.7Very low200 Ų200150.7 Ų150.787%0.8778%0.778SS**  trans-177129.3130.8-111.4179.4176.1178.50108
263V32.9Very low33.2Very low122 Ų122146.8 Ų146.874%0.73978%0.78SS**  cis80.4122.829.1178.60000114
264T31.1Very low33.8Very low116 Ų116148.9 Ų148.971%0.71278%0.78SS**  cis-164.5166.3-23.9-57.80000107.9
265K31.6Very low34.6Very low192 Ų192147.6 Ų147.684%0.83578%0.783SS**  trans90.1116.8156.8-56.9-175.6179.8178.70119.5
266K32.8Very low35.3Very low215 Ų215147.8 Ų147.894%0.93578%0.784SS**  -145.7158.1103.5-128.4176.8-178.5-178.10110.1
267K33.2Very low36.9Very low185 Ų185149.8 Ų149.880%0.80481%0.811SS**  trans-140178.9-179.5-167.8-176.8171.7-172.80107.7
268T33.7Very low37.3Very low129 Ų129152.4 Ų152.479%0.79182%0.822SS**  trans97.3106.5-174.6-54.90000108.9
269T35.2Very low37.5Very low107 Ų107150.9 Ų150.966%0.65682%0.824SS**  cis68132.444.3-30.50000109.3
270T34.5Very low37.9Very low124 Ų124151.8 Ų151.876%0.76182%0.824SS**  cis-148.4161.627.3-430000109.6
271N32.8Very low38.2Very low145 Ų145153.1 Ų153.178%0.77583%0.826SS**  trans-126.8150.1166.6-101.418.3000111.1
272N35.8Very low38.6Very low152 Ų152151.3 Ų151.381%0.81383%0.828SS**  trans61.9108165.9-57.512000118
273A41.3Very low39.2Very low103 Ų103148 Ų14885%0.85183%0.825SS**  175.3114.7104.500000112.6
274E42.9Very low39.6Very low189 Ų189149.9 Ų149.988%0.88383%0.831SS**  trans-109145.1152.7-76.6172.378.300106.8
275T48.2Very low40.3Very low133 Ų133152.5 Ų152.582%0.81684%0.84SS**  -168.6147.386.4-55.70000107.6
276P56.1Low41Very low107 Ų107149.2 Ų149.270%0.69584%0.841SS**  trans-88.9-174.1-166.640.3-40.5000113.6
277P65.6Low41.7Very low201 Ų201143.2 Ų143.2100%1.30583%0.832SS**  -119.3081.738.3-35.2000115

Retrieved 277 of 277 residues in 156.2 ms (Link to these results)

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