A0A5K4F7L0_SCHMA Loading...

NADH dehydrogenase (Ubiquinone) complex I, assembly factor 6

AlphaFold DB , UniProt , Accession A0A5K4F7L0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1M48.8Very low44.9Very low197 Ų197130.1 Ų130.197%0.9759%0.593SS**  0-49.30-149169172.900112.6L3 K4 H5M1-L3 PolarHBondContact O-N 3.47Å; M1-K4 PolarHBondContact O-N 3.15Å; M1-H5 PolarHBondContact O-N 3.25Å; M1-H5 VanDerWaalsContact O-N 3.1Å
2Y40.8Very low44.1Very low211 Ų211129.3 Ų129.383%0.82760%0.597SS**Hα-helixtrans-59.8-42.9179.1-103.2-93000115.6H5 L6Y2-H5 PolarHBondContact O-N 2.97Å; Y2-L6 PolarHBondContact O-N 3.33Å
3L44.9Very low43.4Very low92 Ų92123.3 Ų123.348%0.48258%0.584SS.*Hα-helixtrans-65.5-39.5178.5-96.3144.4000113.1M1 H5 L6 L7M1-L3 PolarHBondContact O-N 3.47Å; L3-H5 VanDerWaalsContact C-N 3.33Å; L3-L6 PolarHBondContact O-N 2.9Å; L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 WeakPolarHBondContact O-CG 3.32Å; L3-L7 PolarHBondContact O-N 3.2Å
4K43.4Very low42.9Very low158 Ų158129.9 Ų129.969%0.68761%0.609SS**Hα-helixtrans-63.8-42.4174.1-144.7-179.1-177.1-178.10109.8M1 I8M1-K4 PolarHBondContact O-N 3.15Å; K4-I8 HydrophobicContact CG-CD1 3.97Å; K4-I8 VanDerWaalsContact O-CB 3.23Å; K4-I8 WeakPolarHBondContact O-CB 3.37Å; K4-I8 VanDerWaalsContact O-CD1 3.3Å; K4-I8 WeakPolarHBondContact O-CD1 3.4Å; K4-I8 WeakPolarHBondContact O-CG1 3.21Å; K4-I8 PolarHBondContact O-N 3.41Å
5H48.1Very low42.6Very low116 Ų116129.5 Ų129.554%0.53762%0.619SS.*Hα-helixtrans-65.7-38.2175.7-109.8-57.6000113.9M1 Y2 L3 R9M1-H5 PolarHBondContact O-N 3.25Å; M1-H5 VanDerWaalsContact O-N 3.1Å; Y2-H5 PolarHBondContact O-N 2.97Å; L3-H5 VanDerWaalsContact C-N 3.33Å; H5-R9 WeakPolarHBondContact O-CB 3.33Å; H5-R9 PolarHBondContact O-N 3.43Å
6L46.8Very low43.6Very low91 Ų91125.9 Ų125.948%0.47660%0.6SS.*Hα-helixtrans-67.9-46.5177.5-149.689.9000110.7Y2 L3 R9 F10Y2-L6 PolarHBondContact O-N 3.33Å; L3-L6 PolarHBondContact O-N 2.9Å; L6-R9 PolarHBondContact O-N 2.75Å; L6-F10 HydrophobicContact CG-CD2 4.41Å; L6-F10 HydrophobicContact CG-CE2 4.44Å; L6-F10 WeakPolarHBondContact O-CD2 3.46Å; L6-F10 PolarHBondContact O-N 2.86Å; L6-F10 VanDerWaalsContact O-N 3.08Å
7L44.5Very low45.8Very low84 Ų84122.3 Ų122.344%0.4459%0.59SS.*Hα-helixtrans-63.1-43175.9-74.6165.6000111.8L3 F10 M11 L35L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 WeakPolarHBondContact O-CG 3.32Å; L3-L7 PolarHBondContact O-N 3.2Å; L7-F10 PolarHBondContact O-N 3.43Å; L7-M11 WeakPolarHBondContact O-CB 3.46Å; L7-M11 VanDerWaalsContact O-CG 3.3Å; L7-M11 WeakPolarHBondContact O-CG 3.48Å; L7-M11 PolarHBondContact O-N 2.79Å; L7-L35 HydrophobicContact CD2-CD1 4.41Å
8I48.6Very low48.2Very low77 Ų77119.9 Ų119.940%0.39557%0.574SS.*Hα-helixtrans-65.5-41.6177.2-69.8165.7000111.5K4 F10 M11 N12K4-I8 HydrophobicContact CG-CD1 3.97Å; K4-I8 VanDerWaalsContact O-CB 3.23Å; K4-I8 WeakPolarHBondContact O-CB 3.37Å; K4-I8 VanDerWaalsContact O-CD1 3.3Å; K4-I8 WeakPolarHBondContact O-CD1 3.4Å; K4-I8 WeakPolarHBondContact O-CG1 3.21Å; K4-I8 PolarHBondContact O-N 3.41Å; I8-F10 VanDerWaalsContact C-N 3.33Å; I8-F10 PolarHBondContact O-N 3.02Å; I8-M11 PolarHBondContact O-N 2.91Å; I8-N12 WeakPolarHBondContact O-CB 3.46Å; I8-N12 PolarHBondContact O-N 3.06Å; I8-N12 VanDerWaalsContact O-N 3.07Å
9R44.7Very low50.5Low211 Ų211113.6 Ų113.680%0.79654%0.544SS*.Hα-helixtrans-63.2-37.2175.6-102-176164.9179.1-3.9112.5H5 L6H5-R9 WeakPolarHBondContact O-CB 3.33Å; H5-R9 PolarHBondContact O-N 3.43Å; L6-R9 PolarHBondContact O-N 2.75Å
10F43.3Very low52.6Low90 Ų90108.4 Ų108.440%0.39552%0.519SS..Hα-helixtrans-75-31.3176.4-90.9-80.4000113.1L6 L7 I8 R42L6-F10 HydrophobicContact CG-CD2 4.41Å; L6-F10 HydrophobicContact CG-CE2 4.44Å; L6-F10 WeakPolarHBondContact O-CD2 3.46Å; L6-F10 PolarHBondContact O-N 2.86Å; L6-F10 VanDerWaalsContact O-N 3.08Å; L7-F10 PolarHBondContact O-N 3.43Å; I8-F10 VanDerWaalsContact C-N 3.33Å; I8-F10 PolarHBondContact O-N 3.02Å; F10-R42 VanDerWaalsContact CZ-NH1 3.31Å
11M40.5Very low54.5Low104 Ų104105.5 Ų105.551%0.51251%0.511SS..Hα-helixtrans-78.5-22.2177.7-70.5-167.279.600113.9L7 I8L7-M11 WeakPolarHBondContact O-CB 3.46Å; L7-M11 VanDerWaalsContact O-CG 3.3Å; L7-M11 WeakPolarHBondContact O-CG 3.48Å; L7-M11 PolarHBondContact O-N 2.79Å; I8-M11 PolarHBondContact O-N 2.91Å
12N34.6Very low56.7Low120 Ų12096.8 Ų96.864%0.64247%0.468SS*.THydrogen-bonded Turntrans-96.810.8-174.8-75.9-8.3000115.7I8 K14I8-N12 WeakPolarHBondContact O-CB 3.46Å; I8-N12 PolarHBondContact O-N 3.06Å; I8-N12 VanDerWaalsContact O-N 3.07Å; N12-K14 PolarHBondContact O-N 3.1Å
13A35.1Very low59.4Low52 Ų5286.7 Ų86.743%0.4343%0.428SS..  trans-72118.8168.300000109.2T15A13-T15 CarbonylContact O-C 3.44Å; A13-T15 PolarHBondContact O-N 3.29Å
14K36.2Very low61.8Low215 Ų21584.8 Ų84.894%0.93542%0.417SS*.SBendtrans-58.90.2-172.8-72.1-176.7175.2-178.80115.7N12N12-K14 PolarHBondContact O-N 3.1Å
15T38.2Very low64.2Low125 Ų12584.3 Ų84.377%0.76742%0.415SS*.SBendtrans-151109.4166.6-9.80000106.2A13A13-T15 CarbonylContact O-C 3.44Å; A13-T15 PolarHBondContact O-N 3.29Å
16K58.8Low66.5Low71 Ų7184 Ų8431%0.30941%0.41SS..  trans-64.6129.2171.9-78.6176.1173.3-179.30107.7Y18 L20K16-Y18 PolarHBondContact O-N 3.05Å; K16-L20 HydrophobicContact CB-CD2 4.26Å; K16-L20 HydrophobicContact CD-CD2 3.76Å; K16-L20 HydrophobicContact CG-CD2 4.05Å
17P81.4Confident68.8Low65 Ų6580.9 Ų80.942%0.42239%0.393SS..  trans-55.7143175.120.7-28.7000109.5C19 L20 S21P17-C19 VanDerWaalsContact C-N 3.26Å; P17-C19 PolarHBondContact O-N 3.45Å; P17-L20 HydrophobicContact CG-CB 3.95Å; P17-L20 HydrophobicContact CG-CD1 4.42Å; P17-L20 WeakPolarHBondContact O-CB 3.36Å; P17-L20 PolarHBondContact O-N 3.18Å; P17-S21 PolarHBondContact O-N 3.14Å
18Y88.6Confident71.2Confident79 Ų7982.4 Ų82.431%0.3139%0.394SS..Hα-helixtrans-54.5-42.5-168.7167.7-93.3000111.9K16 L20 S21 I22 E54 P95 L96 E99K16-Y18 PolarHBondContact O-N 3.05Å; Y18-L20 VanDerWaalsContact C-N 3.27Å; Y18-L20 PolarHBondContact O-N 2.64Å; Y18-S21 PolarHBondContact O-N 3.36Å; Y18-S21 PolarHBondContact O-OG 3.2Å; Y18-I22 HydrophobicContact CD1-CD1 4.27Å; Y18-I22 HydrophobicContact CD2-CG2 4.3Å; Y18-I22 HydrophobicContact CE1-CD1 3.61Å; Y18-I22 HydrophobicContact CE1-CG1 4.44Å; Y18-I22 HydrophobicContact CE1-CG2 4.26Å; Y18-I22 HydrophobicContact CE2-CG2 3.86Å; Y18-I22 PolarHBondContact O-N 3.26Å; Y18-E54 PolarHBondContact OH-OE1 3.14Å; Y18-P95 HydrophobicContact CD1-CB 4.02Å; Y18-P95 HydrophobicContact CD2-CB 4.46Å; Y18-P95 HydrophobicContact CG-CB 3.84Å; Y18-P95 HydrophobicContact CG-CG 4.49Å; Y18-L96 HydrophobicContact CD1-CB 4.05Å; Y18-L96 HydrophobicContact CE1-CB 3.8Å; Y18-E99 PolarHBondContact N-OE1 3.35Å
19C92Very high73.4Confident0 Ų080.8 Ų80.80%039%0.385CS..Hα-helixtrans-60.4-37.8178.6-63.10000112.4P17 I22 V23 A50 L96 E99P17-C19 VanDerWaalsContact C-N 3.26Å; P17-C19 PolarHBondContact O-N 3.45Å; C19-I22 WeakPolarHBondContact O-CG1 3.34Å; C19-V23 WeakPolarHBondContact O-CB 3.31Å; C19-V23 WeakPolarHBondContact O-CG2 3.49Å; C19-V23 PolarHBondContact O-N 2.8Å; C19-V23 VanDerWaalsContact O-N 3.12Å; C19-A50 HydrophobicContact CB-CB 3.68Å; C19-L96 WeakPolarHBondContact SG-CD1 3.44Å; C19-E99 WeakPolarHBondContact CB-OE2 3.33Å; C19-E99 PolarHBondContact SG-OE2 3.38Å
20L92.6Very high75.8Confident9 Ų971 Ų715%0.04735%0.348CS..Hα-helixtrans-65.3-43.1179.7-169.1153.1000111.1K16 P17 Y18 Q24 Y31K16-L20 HydrophobicContact CB-CD2 4.26Å; K16-L20 HydrophobicContact CD-CD2 3.76Å; K16-L20 HydrophobicContact CG-CD2 4.05Å; P17-L20 HydrophobicContact CG-CB 3.95Å; P17-L20 HydrophobicContact CG-CD1 4.42Å; P17-L20 WeakPolarHBondContact O-CB 3.36Å; P17-L20 PolarHBondContact O-N 3.18Å; Y18-L20 VanDerWaalsContact C-N 3.27Å; Y18-L20 PolarHBondContact O-N 2.64Å; L20-Q24 WeakPolarHBondContact O-CB 3.3Å; L20-Q24 PolarHBondContact O-N 2.91Å; L20-Y31 HydrophobicContact CD1-CE2 4.39Å; L20-Y31 HydrophobicContact CD2-CE2 3.74Å; L20-Y31 HydrophobicContact CG-CD2 4.47Å; L20-Y31 HydrophobicContact CG-CE2 3.77Å
21S93.7Very high78.4Confident49 Ų4967.3 Ų67.334%0.34333%0.332SS..Hα-helixtrans-67.9-42.2-177.970.20000112.3P17 Y18 Q24 K25P17-S21 PolarHBondContact O-N 3.14Å; Y18-S21 PolarHBondContact O-N 3.36Å; Y18-S21 PolarHBondContact O-OG 3.2Å; S21-Q24 PolarHBondContact O-N 3.2Å; S21-K25 WeakPolarHBondContact O-CB 3.36Å; S21-K25 PolarHBondContact O-N 3.41Å
22I94.2Very high81Confident13 Ų1363.3 Ų63.37%0.06731%0.312CS..Hα-helixtrans-71.8-38.4-178.868.4171000112Y18 C19 K25 Y26 A50 E54Y18-I22 HydrophobicContact CD1-CD1 4.27Å; Y18-I22 HydrophobicContact CD2-CG2 4.3Å; Y18-I22 HydrophobicContact CE1-CD1 3.61Å; Y18-I22 HydrophobicContact CE1-CG1 4.44Å; Y18-I22 HydrophobicContact CE1-CG2 4.26Å; Y18-I22 HydrophobicContact CE2-CG2 3.86Å; Y18-I22 PolarHBondContact O-N 3.26Å; C19-I22 WeakPolarHBondContact O-CG1 3.34Å; I22-K25 PolarHBondContact O-N 3.04Å; I22-Y26 HydrophobicContact CB-CD2 4.38Å; I22-Y26 VanDerWaalsContact O-CD2 3.32Å; I22-Y26 WeakPolarHBondContact O-CD2 3.27Å; I22-Y26 PolarHBondContact O-N 2.75Å; I22-A50 HydrophobicContact CD1-CB 3.37Å; I22-A50 HydrophobicContact CG1-CB 3.74Å; I22-E54 HydrophobicContact CD1-CG 4.21Å
23V96.3Very high83.9Confident0 Ų057.7 Ų57.70%028%0.282CS..Hα-helixtrans-69.8-40.1176.2-176.10000109.8C19 K25 D27 Y28 R49 A50C19-V23 WeakPolarHBondContact O-CB 3.31Å; C19-V23 WeakPolarHBondContact O-CG2 3.49Å; C19-V23 PolarHBondContact O-N 2.8Å; C19-V23 VanDerWaalsContact O-N 3.12Å; V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 3.48Å; V23-D27 HydrophobicContact CG1-CB 4.14Å; V23-D27 CarbonylContact O-C 3.6Å; V23-D27 VanDerWaalsContact O-CA 3.31Å; V23-D27 WeakPolarHBondContact O-CA 3.47Å; V23-D27 PolarHBondContact O-N 3.28Å; V23-Y28 PolarHBondContact O-N 3.46Å; V23-R49 HydrophobicContact CG1-CB 4.02Å; V23-R49 HydrophobicContact CG2-CB 3.8Å; V23-A50 HydrophobicContact CG2-CB 3.86Å; V23-A50 VanDerWaalsContact CG2-N 3.34Å
24Q95.9Very high86.8Confident51 Ų5155.2 Ų55.224%0.23826%0.262CS..Hα-helixtrans-58.9-38.3174.2-176.5174.921.400112.2L20 S21 Y28 Y31L20-Q24 WeakPolarHBondContact O-CB 3.3Å; L20-Q24 PolarHBondContact O-N 2.91Å; S21-Q24 PolarHBondContact O-N 3.2Å; Q24-Y28 HydrophobicContact CG-CD2 4.39Å; Q24-Y31 HydrophobicContact CB-CD1 4.16Å; Q24-Y31 HydrophobicContact CB-CD2 3.95Å; Q24-Y31 HydrophobicContact CB-CE1 4.28Å; Q24-Y31 HydrophobicContact CB-CE2 4.09Å; Q24-Y31 HydrophobicContact CB-CG 3.98Å; Q24-Y31 HydrophobicContact CG-CD1 4Å; Q24-Y31 HydrophobicContact CG-CE1 3.88Å; Q24-Y31 HydrophobicContact CG-CE2 4.49Å; Q24-Y31 HydrophobicContact CG-CG 4.34Å
25K95.1Very high89.5Confident149 Ų14945.9 Ų45.965%0.64822%0.222SC*.Hα-helixtrans-77-44.8-177.9-176.5176.9178.3-169.30113.2S21 I22 V23S21-K25 WeakPolarHBondContact O-CB 3.36Å; S21-K25 PolarHBondContact O-N 3.41Å; I22-K25 PolarHBondContact O-N 3.04Å; V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 3.48Å
26Y94.7Very high92.2Very high110 Ų11041.7 Ų41.743%0.43120%0.195SC..Hα-helixtrans-108-14.7-168.3-61.8-68.1000114.3I22 V53I22-Y26 HydrophobicContact CB-CD2 4.38Å; I22-Y26 VanDerWaalsContact O-CD2 3.32Å; I22-Y26 WeakPolarHBondContact O-CD2 3.27Å; I22-Y26 PolarHBondContact O-N 2.75Å; Y26-V53 HydrophobicContact CD2-CG1 3.63Å; Y26-V53 HydrophobicContact CG-CG1 3.94Å
27D95.1Very high93.9Very high25 Ų2538.5 Ų38.513%0.13418%0.181CC..  trans-143.656.8-177.9-168.46.6000110.9V23 E29 N30 Y31 V53V23-D27 HydrophobicContact CG1-CB 4.14Å; V23-D27 CarbonylContact O-C 3.6Å; V23-D27 VanDerWaalsContact O-CA 3.31Å; V23-D27 WeakPolarHBondContact O-CA 3.47Å; V23-D27 PolarHBondContact O-N 3.28Å; D27-E29 VanDerWaalsContact C-N 3.35Å; D27-E29 PolarHBondContact O-N 3.03Å; D27-N30 VanDerWaalsContact CG-CB 3.5Å; D27-N30 PolarHBondContact O-N 3.26Å; D27-N30 WeakPolarHBondContact OD1-CB 3.46Å; D27-N30 PolarHBondContact OD1-ND2 2.99Å; D27-N30 VanDerWaalsContact OD2-CB 3.28Å; D27-N30 WeakPolarHBondContact OD2-CB 3.34Å; D27-N30 PolarHBondContact OD2-ND2 3.31Å; D27-Y31 PolarHBondContact O-N 3.05Å; D27-V53 HydrophobicContact CB-CG2 4.04Å
28Y95.1Very high94.3Very high116 Ų11637.3 Ų37.346%0.45517%0.174SC..Hα-helixtrans-58.6-40.4-170-178.3-109.7000113.7V23 Q24 N30 Y31 L32V23-Y28 PolarHBondContact O-N 3.46Å; Q24-Y28 HydrophobicContact CG-CD2 4.39Å; Y28-N30 VanDerWaalsContact C-N 3.34Å; Y28-N30 PolarHBondContact O-N 3.07Å; Y28-Y31 HydrophobicContact CD2-CD1 4.02Å; Y28-Y31 HydrophobicContact CE2-CD1 4.11Å; Y28-Y31 HydrophobicContact CE2-CE1 4.38Å; Y28-Y31 WeakPolarHBondContact O-CB 3.24Å; Y28-Y31 PolarHBondContact O-N 2.89Å; Y28-L32 HydrophobicContact CD1-CD1 4.18Å; Y28-L32 HydrophobicContact CE1-CD1 3.63Å; Y28-L32 HydrophobicContact CE1-CG 4.24Å; Y28-L32 HydrophobicContact CE2-CD2 4.33Å; Y28-L32 HydrophobicContact CE2-CG 4.37Å; Y28-L32 WeakPolarHBondContact O-CG 3.4Å; Y28-L32 PolarHBondContact O-N 3.19Å
29E95.3Very high93.9Very high42 Ų4236.4 Ų36.420%0.19619%0.188CC..Hα-helixtrans-59.6-46.7178.3-63.3-179.215200111.1D27 L32 C33 R180 P291 L318D27-E29 VanDerWaalsContact C-N 3.35Å; D27-E29 PolarHBondContact O-N 3.03Å; E29-L32 PolarHBondContact O-N 3.3Å; E29-C33 PolarHBondContact O-N 2.92Å; E29-C33 VanDerWaalsContact O-N 3.1Å; E29-C33 PolarHBondContact O-SG 3Å; E29-R180 IonicContact OE2-NH1 3.58Å; E29-R180 PolarHBondContact OE2-NH1 3.49Å; E29-P291 HydrophobicContact CB-CB 4.43Å; E29-P291 HydrophobicContact CB-CG 4.11Å; E29-P291 VanDerWaalsContact CD-CB 3.46Å; E29-P291 HydrophobicContact CG-CB 4.11Å; E29-P291 HydrophobicContact CG-CG 4.33Å; E29-P291 VanDerWaalsContact OE1-CB 3.3Å; E29-P291 WeakPolarHBondContact OE1-CB 3.38Å; E29-L318 HydrophobicContact CG-CD2 4.04Å
30N96.4Very high93Very high6 Ų640.5 Ų40.53%0.03222%0.217CC..Hα-helixtrans-79.1-24.9179.6-73.1-70.1000113.1D27 Y28 L32 C33 S34 R49 P288D27-N30 VanDerWaalsContact CG-CB 3.5Å; D27-N30 PolarHBondContact O-N 3.26Å; D27-N30 WeakPolarHBondContact OD1-CB 3.46Å; D27-N30 PolarHBondContact OD1-ND2 2.99Å; D27-N30 VanDerWaalsContact OD2-CB 3.28Å; D27-N30 WeakPolarHBondContact OD2-CB 3.34Å; D27-N30 PolarHBondContact OD2-ND2 3.31Å; Y28-N30 VanDerWaalsContact C-N 3.34Å; Y28-N30 PolarHBondContact O-N 3.07Å; N30-L32 VanDerWaalsContact C-N 3.35Å; N30-C33 PolarHBondContact O-N 2.91Å; N30-S34 VanDerWaalsContact O-CB 3.31Å; N30-S34 WeakPolarHBondContact O-CB 3.35Å; N30-S34 PolarHBondContact O-N 3.39Å; N30-S34 PolarHBondContact O-OG 3.16Å; N30-R49 VanDerWaalsContact CB-CZ 3.49Å; N30-R49 VanDerWaalsContact CB-NH1 3.26Å; N30-R49 PolarHBondContact OD1-NH1 3.44Å; N30-R49 PolarHBondContact OD1-NH2 2.65Å; N30-P288 WeakPolarHBondContact OD1-CB 3.33Å; N30-P288 VanDerWaalsContact OD1-CG 3.24Å; N30-P288 WeakPolarHBondContact OD1-CG 3.26Å
31Y96.2Very high93Very high13 Ų1343.3 Ų43.35%0.05123%0.227CC..Hα-helixtrans-55.3-52.8165.5162.7-106.9000109.8L20 Q24 D27 Y28 C33 S34 L35 L46L20-Y31 HydrophobicContact CD1-CE2 4.39Å; L20-Y31 HydrophobicContact CD2-CE2 3.74Å; L20-Y31 HydrophobicContact CG-CD2 4.47Å; L20-Y31 HydrophobicContact CG-CE2 3.77Å; Q24-Y31 HydrophobicContact CB-CD1 4.16Å; Q24-Y31 HydrophobicContact CB-CD2 3.95Å; Q24-Y31 HydrophobicContact CB-CE1 4.28Å; Q24-Y31 HydrophobicContact CB-CE2 4.09Å; Q24-Y31 HydrophobicContact CB-CG 3.98Å; Q24-Y31 HydrophobicContact CG-CD1 4Å; Q24-Y31 HydrophobicContact CG-CE1 3.88Å; Q24-Y31 HydrophobicContact CG-CE2 4.49Å; Q24-Y31 HydrophobicContact CG-CG 4.34Å; D27-Y31 PolarHBondContact O-N 3.05Å; Y28-Y31 HydrophobicContact CD2-CD1 4.02Å; Y28-Y31 HydrophobicContact CE2-CD1 4.11Å; Y28-Y31 HydrophobicContact CE2-CE1 4.38Å; Y28-Y31 WeakPolarHBondContact O-CB 3.24Å; Y28-Y31 PolarHBondContact O-N 2.89Å; Y31-C33 PolarHBondContact O-N 3.28Å; Y31-S34 PolarHBondContact O-N 3.03Å; Y31-L35 HydrophobicContact CE1-CD1 3.93Å; Y31-L35 HydrophobicContact CE2-CD1 4.04Å; Y31-L35 HydrophobicContact CE2-CD2 4.11Å; Y31-L35 HydrophobicContact CE2-CG 4.16Å; Y31-L35 WeakPolarHBondContact O-CG 3.49Å; Y31-L35 PolarHBondContact O-N 2.91Å; Y31-L35 VanDerWaalsContact O-N 3.15Å; Y31-L46 HydrophobicContact CD2-CD2 4.42Å
32L95.7Very high93Very high19 Ų1942.8 Ų42.810%0.09922%0.217CC..Hα-helixtrans-59.7-44.3178-65.5176.2000112Y28 E29 N30 S34 L35 L318 P319 L322Y28-L32 HydrophobicContact CD1-CD1 4.18Å; Y28-L32 HydrophobicContact CE1-CD1 3.63Å; Y28-L32 HydrophobicContact CE1-CG 4.24Å; Y28-L32 HydrophobicContact CE2-CD2 4.33Å; Y28-L32 HydrophobicContact CE2-CG 4.37Å; Y28-L32 WeakPolarHBondContact O-CG 3.4Å; Y28-L32 PolarHBondContact O-N 3.19Å; E29-L32 PolarHBondContact O-N 3.3Å; N30-L32 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 3.35Å; L32-L35 PolarHBondContact O-N 3.18Å; L32-L318 HydrophobicContact CD1-CD2 4.26Å; L32-L318 HydrophobicContact CD1-CG 4.39Å; L32-P319 HydrophobicContact CD1-CB 4.42Å; L32-P319 HydrophobicContact CD1-CG 3.9Å; L32-L322 HydrophobicContact CB-CD1 3.52Å; L32-L322 HydrophobicContact CD1-CD1 4.03Å; L32-L322 HydrophobicContact CG-CD1 4.45Å
33C96.1Very high92.9Very high2 Ų247.8 Ų47.81%0.01424%0.244CC..Hα-helixtrans-62.1-42.5177.6-63.20000112E29 N30 Y31 L35 L36 L287 P288E29-C33 PolarHBondContact O-N 2.92Å; E29-C33 VanDerWaalsContact O-N 3.1Å; E29-C33 PolarHBondContact O-SG 3Å; N30-C33 PolarHBondContact O-N 2.91Å; Y31-C33 PolarHBondContact O-N 3.28Å; C33-L35 VanDerWaalsContact C-N 3.31Å; C33-L35 PolarHBondContact O-N 3.1Å; C33-L36 PolarHBondContact O-N 3.35Å; C33-L36 VanDerWaalsContact O-N 3.09Å; C33-L287 HydrophobicContact CB-CB 4.06Å; C33-P288 HydrophobicContact CB-CG 4.03Å
34S95.3Very high92.8Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-63.3-34.9179.2-70.40000112.8N30 Y31 L32 L36 L37 R42 R49N30-S34 VanDerWaalsContact O-CB 3.31Å; N30-S34 WeakPolarHBondContact O-CB 3.35Å; N30-S34 PolarHBondContact O-N 3.39Å; N30-S34 PolarHBondContact O-OG 3.16Å; Y31-S34 PolarHBondContact O-N 3.03Å; L32-S34 PolarHBondContact O-N 3.35Å; S34-L36 PolarHBondContact O-N 3.48Å; S34-L37 WeakPolarHBondContact O-CB 3.27Å; S34-L37 PolarHBondContact O-N 3.28Å; S34-L37 VanDerWaalsContact O-N 3.17Å; S34-R42 WeakPolarHBondContact O-CG 3.27Å; S34-R49 WeakPolarHBondContact OG-CD 3.44Å; S34-R49 PolarHBondContact OG-NE 3.34Å
35L94Very high92.8Very high20 Ų2045.5 Ų45.511%0.10523%0.233CC..Hα-helixtrans-62.2-25.4175.5-66.2-179.2000113L7 Y31 L32 C33 R42L7-L35 HydrophobicContact CD2-CD1 4.41Å; Y31-L35 HydrophobicContact CE1-CD1 3.93Å; Y31-L35 HydrophobicContact CE2-CD1 4.04Å; Y31-L35 HydrophobicContact CE2-CD2 4.11Å; Y31-L35 HydrophobicContact CE2-CG 4.16Å; Y31-L35 WeakPolarHBondContact O-CG 3.49Å; Y31-L35 PolarHBondContact O-N 2.91Å; Y31-L35 VanDerWaalsContact O-N 3.15Å; L32-L35 PolarHBondContact O-N 3.18Å; C33-L35 VanDerWaalsContact C-N 3.31Å; C33-L35 PolarHBondContact O-N 3.1Å; L35-R42 PolarHBondContact O-NE 2.97Å; L35-R42 PolarHBondContact O-NH2 3.48Å
36L94.4Very high92.8Very high37 Ų3739 Ų3919%0.19421%0.205CC..THydrogen-bonded Turntrans-90.3-5.8-178.7-62.5170.1000113C33 S34 K284 L287 L322 A326C33-L36 PolarHBondContact O-N 3.35Å; C33-L36 VanDerWaalsContact O-N 3.09Å; S34-L36 PolarHBondContact O-N 3.48Å; L36-K284 WeakPolarHBondContact O-CD 3.48Å; L36-L287 HydrophobicContact CB-CD1 3.78Å; L36-L287 HydrophobicContact CD1-CD1 3.83Å; L36-L287 HydrophobicContact CG-CD1 4.47Å; L36-L322 HydrophobicContact CD1-CB 3.61Å; L36-A326 HydrophobicContact CB-CB 4.07Å; L36-A326 HydrophobicContact CD1-CB 4Å; L36-A326 HydrophobicContact CD2-CB 4.29Å; L36-A326 HydrophobicContact CG-CB 4.35Å
37L94.3Very high92.9Very high4 Ų433.8 Ų33.82%0.02119%0.185CC..SBendtrans-68.4146.6176.3-66.2177.9000111.8S34 R42 A45 K284 L285S34-L37 WeakPolarHBondContact O-CB 3.27Å; S34-L37 PolarHBondContact O-N 3.28Å; S34-L37 VanDerWaalsContact O-N 3.17Å; L37-R42 PolarHBondContact O-NE 3.34Å; L37-R42 PolarHBondContact O-NH2 3.03Å; L37-A45 HydrophobicContact CD1-CB 3.4Å; L37-K284 HydrophobicContact CD2-CB 4.1Å; L37-L285 HydrophobicContact CD2-CD2 3.82Å; L37-L285 HydrophobicContact CD2-CG 4.48Å
38P89.4Confident93Very high40 Ų4032.6 Ų32.626%0.2618%0.179SC..  trans-57.4138.6174-2332.8000112S40 R41 Y155 V281 K284P38-S40 PolarHBondContact O-N 3.28Å; P38-R41 PolarHBondContact O-N 2.81Å; P38-Y155 HydrophobicContact CB-CE1 4.12Å; P38-Y155 WeakPolarHBondContact CD-OH 3.35Å; P38-Y155 HydrophobicContact CG-CE1 4.25Å; P38-Y155 PolarHBondContact O-OH 3.25Å; P38-V281 HydrophobicContact CG-CG2 4.4Å; P38-K284 HydrophobicContact CG-CD 3.92Å
39G80.2Confident93.1Very high60 Ų6027.3 Ų27.362%0.61916%0.158SC*.THydrogen-bonded Turntrans-58.5-22.7-161.700000116.8R41G39-R41 VanDerWaalsContact C-N 3.28Å; G39-R41 PolarHBondContact O-N 3.34Å
40S74.1Confident93.1Very high85 Ų8525.3 Ų25.359%0.59415%0.149SC*.THydrogen-bonded Turntrans-63.3-28.9-17752.90000114.1P38P38-S40 PolarHBondContact O-N 3.28Å
41R91.2Very high93.2Very high69 Ų6925 Ų2526%0.2615%0.147SC..SBendtrans-126.39.8-174.8-47.8-61.8177.4-162.39114.3P38 G39 N43 F44 A45 A154 Y155P38-R41 PolarHBondContact O-N 2.81Å; G39-R41 VanDerWaalsContact C-N 3.28Å; G39-R41 PolarHBondContact O-N 3.34Å; R41-N43 VanDerWaalsContact C-N 3.34Å; R41-N43 PolarHBondContact O-N 3.07Å; R41-F44 PolarHBondContact O-N 3.41Å; R41-A45 PolarHBondContact O-N 3.05Å; R41-A154 HydrophobicContact CB-CB 4.48Å; R41-A154 WeakPolarHBondContact CD-O 3.31Å; R41-A154 HydrophobicContact CG-CB 4.23Å; R41-A154 PolarHBondContact NE-O 3.38Å; R41-Y155 HydrophobicContact CB-CD2 4.38Å; R41-Y155 HydrophobicContact CB-CE1 4.01Å; R41-Y155 HydrophobicContact CB-CE2 3.78Å; R41-Y155 HydrophobicContact CG-CD1 3.9Å; R41-Y155 HydrophobicContact CG-CD2 4.25Å; R41-Y155 HydrophobicContact CG-CE1 3.69Å; R41-Y155 HydrophobicContact CG-CE2 4.06Å; R41-Y155 HydrophobicContact CG-CG 4.17Å
42R93.3Very high93.2Very high38 Ų3825.1 Ų25.114%0.14315%0.149CC..Hα-helixtrans-60.2-42.8-179.9-176.1178.7-58.6169.34112.4F10 S34 L35 L37 A45 L46F10-R42 VanDerWaalsContact CZ-NH1 3.31Å; S34-R42 WeakPolarHBondContact O-CG 3.27Å; L35-R42 PolarHBondContact O-NE 2.97Å; L35-R42 PolarHBondContact O-NH2 3.48Å; L37-R42 PolarHBondContact O-NE 3.34Å; L37-R42 PolarHBondContact O-NH2 3.03Å; R42-A45 PolarHBondContact O-N 3.39Å; R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 PolarHBondContact O-N 3.41Å
43N92.1Very high93.2Very high118 Ų11824.6 Ų24.663%0.63115%0.146SC*.Hα-helixtrans-64-45178.9-67.2-0.8000110.9R41 A45 L46 A47R41-N43 VanDerWaalsContact C-N 3.34Å; R41-N43 PolarHBondContact O-N 3.07Å; N43-A45 VanDerWaalsContact C-N 3.32Å; N43-A45 PolarHBondContact O-N 2.93Å; N43-L46 PolarHBondContact O-N 3.39Å; N43-A47 WeakPolarHBondContact O-CB 3.41Å; N43-A47 PolarHBondContact O-N 2.96Å
44F95.2Very high93.2Very high3 Ų325.2 Ų25.21%0.01315%0.149CC..Hα-helixtrans-58.7-44.1173.6175.3-107000111.7R41 L46 A47 L48 V104 L107 L109 F114 L150 L151 A154R41-F44 PolarHBondContact O-N 3.41Å; F44-L46 PolarHBondContact O-N 2.99Å; F44-A47 PolarHBondContact O-N 3.31Å; F44-L48 HydrophobicContact CE1-CD2 3.98Å; F44-L48 HydrophobicContact CZ-CB 4.35Å; F44-L48 HydrophobicContact CZ-CD2 3.99Å; F44-L48 VanDerWaalsContact O-CB 3.26Å; F44-L48 WeakPolarHBondContact O-CB 3.34Å; F44-L48 PolarHBondContact O-N 3.02Å; F44-V104 HydrophobicContact CD2-CG2 3.98Å; F44-V104 HydrophobicContact CE2-CG2 3.74Å; F44-L107 HydrophobicContact CB-CD1 4.31Å; F44-L107 HydrophobicContact CD1-CD1 4.17Å; F44-L107 HydrophobicContact CD2-CD1 3.95Å; F44-L107 HydrophobicContact CE2-CD1 4.35Å; F44-L107 HydrophobicContact CG-CD1 3.85Å; F44-L109 HydrophobicContact CD2-CD1 4.41Å; F44-L109 HydrophobicContact CE1-CD1 4.43Å; F44-L109 HydrophobicContact CE1-CD2 4.45Å; F44-L109 HydrophobicContact CE2-CD1 3.52Å; F44-L109 HydrophobicContact CZ-CD1 3.52Å; F44-L109 HydrophobicContact CZ-CD2 4.19Å; F44-F114 HydrophobicContact CE2-CZ 4.21Å; F44-F114 HydrophobicContact CZ-CZ 4.31Å; F44-L150 HydrophobicContact CE1-CB 4.49Å; F44-L150 WeakPolarHBondContact CE1-O 3.16Å; F44-L150 HydrophobicContact CZ-CB 4.24Å; F44-L151 HydrophobicContact CD1-CD2 4.26Å; F44-L151 HydrophobicContact CE1-CD2 4.27Å; F44-A154 HydrophobicContact CD1-CB 3.5Å; F44-A154 HydrophobicContact CE1-CB 3.57Å; F44-A154 HydrophobicContact CG-CB 4.44Å
45A96.4Very high93.2Very high0 Ų025.2 Ų25.20%015%0.149CC..Hα-helixtrans-63-41.2179.400000113.1L37 R41 R42 N43 R49 L151L37-A45 HydrophobicContact CD1-CB 3.4Å; R41-A45 PolarHBondContact O-N 3.05Å; R42-A45 PolarHBondContact O-N 3.39Å; N43-A45 VanDerWaalsContact C-N 3.32Å; N43-A45 PolarHBondContact O-N 2.93Å; A45-R49 WeakPolarHBondContact O-CB 3.42Å; A45-R49 WeakPolarHBondContact O-CG 3.47Å; A45-R49 PolarHBondContact O-N 2.88Å; A45-L151 HydrophobicContact CB-CD2 3.43Å; A45-L151 VanDerWaalsContact CB-CD2 3.43Å
46L95.6Very high93.1Very high12 Ų1226.1 Ų26.16%0.06316%0.159CC..Hα-helixtrans-67.1-43.5174.9-72.4168.9000111.5Y31 R42 N43 F44 R49 A50Y31-L46 HydrophobicContact CD2-CD2 4.42Å; R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 PolarHBondContact O-N 3.41Å; N43-L46 PolarHBondContact O-N 3.39Å; F44-L46 PolarHBondContact O-N 2.99Å; L46-R49 PolarHBondContact O-N 3.15Å; L46-A50 VanDerWaalsContact O-CB 3.22Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.47Å
47A95.2Very high93Very high0 Ų025.1 Ų25.10%015%0.153CC..Hα-helixtrans-64.5-42.9177.900000112.2N43 F44 R49 A50 F51 L96 E99 L100N43-A47 WeakPolarHBondContact O-CB 3.41Å; N43-A47 PolarHBondContact O-N 2.96Å; F44-A47 PolarHBondContact O-N 3.31Å; A47-R49 PolarHBondContact O-N 3.48Å; A47-A50 WeakPolarHBondContact O-CB 3.41Å; A47-A50 PolarHBondContact O-N 3.09Å; A47-F51 WeakPolarHBondContact O-CB 3.3Å; A47-F51 PolarHBondContact O-N 3.25Å; A47-L96 HydrophobicContact CB-CD1 4.42Å; A47-L96 WeakPolarHBondContact O-CD1 3.44Å; A47-E99 HydrophobicContact CB-CB 4.42Å; A47-L100 HydrophobicContact CB-CD2 3.7Å; A47-L100 HydrophobicContact CB-CG 4.07Å
48L97.1Very high92.9Very high0 Ų025.1 Ų25.10%015%0.153CC..Hα-helixtrans-64.3-39.9176.4178.663.3000112.2F44 F51 N52 F114 I147 L150 L151F44-L48 HydrophobicContact CE1-CD2 3.98Å; F44-L48 HydrophobicContact CZ-CB 4.35Å; F44-L48 HydrophobicContact CZ-CD2 3.99Å; F44-L48 VanDerWaalsContact O-CB 3.26Å; F44-L48 WeakPolarHBondContact O-CB 3.34Å; F44-L48 PolarHBondContact O-N 3.02Å; L48-F51 HydrophobicContact CD1-CD1 4.31Å; L48-F51 WeakPolarHBondContact O-CB 3.35Å; L48-F51 PolarHBondContact O-N 2.76Å; L48-N52 PolarHBondContact O-N 2.78Å; L48-F114 HydrophobicContact CD1-CD1 4.4Å; L48-F114 HydrophobicContact CD1-CE1 3.73Å; L48-F114 HydrophobicContact CD1-CZ 4.33Å; L48-I147 HydrophobicContact CD2-CG2 4.14Å; L48-I147 HydrophobicContact CG-CG2 4.37Å; L48-L150 HydrophobicContact CD1-CD1 3.72Å; L48-L150 HydrophobicContact CD2-CB 3.64Å; L48-L150 HydrophobicContact CD2-CD1 4.3Å; L48-L151 HydrophobicContact CD2-CD2 4.01Å; L48-L151 HydrophobicContact CD2-CG 3.96Å
49R97.2Very high92.7Very high6 Ų625.4 Ų25.42%0.02316%0.156CC..Hα-helixtrans-69.5-38.9175.4-72.4178.5-175.5-66.93.3111.9V23 N30 S34 A45 L46 A47 F51 N52 V53V23-R49 HydrophobicContact CG1-CB 4.02Å; V23-R49 HydrophobicContact CG2-CB 3.8Å; N30-R49 VanDerWaalsContact CB-CZ 3.49Å; N30-R49 VanDerWaalsContact CB-NH1 3.26Å; N30-R49 PolarHBondContact OD1-NH1 3.44Å; N30-R49 PolarHBondContact OD1-NH2 2.65Å; S34-R49 WeakPolarHBondContact OG-CD 3.44Å; S34-R49 PolarHBondContact OG-NE 3.34Å; A45-R49 WeakPolarHBondContact O-CB 3.42Å; A45-R49 WeakPolarHBondContact O-CG 3.47Å; A45-R49 PolarHBondContact O-N 2.88Å; L46-R49 PolarHBondContact O-N 3.15Å; A47-R49 PolarHBondContact O-N 3.48Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.29Å; R49-N52 PolarHBondContact O-N 3.23Å; R49-V53 WeakPolarHBondContact O-CG2 3.43Å; R49-V53 PolarHBondContact O-N 2.99Å
50A96.8Very high92.9Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-59.7-42.2172.500000111.5C19 I22 V23 L46 A47 V53 E54 L96C19-A50 HydrophobicContact CB-CB 3.68Å; I22-A50 HydrophobicContact CD1-CB 3.37Å; I22-A50 HydrophobicContact CG1-CB 3.74Å; V23-A50 HydrophobicContact CG2-CB 3.86Å; V23-A50 VanDerWaalsContact CG2-N 3.34Å; L46-A50 VanDerWaalsContact O-CB 3.22Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.47Å; A47-A50 WeakPolarHBondContact O-CB 3.41Å; A47-A50 PolarHBondContact O-N 3.09Å; A50-V53 WeakPolarHBondContact O-CB 3.38Å; A50-V53 PolarHBondContact O-N 3.08Å; A50-E54 PolarHBondContact O-N 3.29Å; A50-L96 HydrophobicContact CB-CD1 3.75Å; A50-L96 HydrophobicContact CB-CD2 4.36Å
51F96.6Very high93.6Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-58.1-47.7171.2172.7-111.8000112.5A47 L48 R49 V53 E54 L55 W75 I79 L96 L100 F114 L117 I118A47-F51 WeakPolarHBondContact O-CB 3.3Å; A47-F51 PolarHBondContact O-N 3.25Å; L48-F51 HydrophobicContact CD1-CD1 4.31Å; L48-F51 WeakPolarHBondContact O-CB 3.35Å; L48-F51 PolarHBondContact O-N 2.76Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.29Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 2.71Å; F51-E54 PolarHBondContact O-N 2.89Å; F51-L55 HydrophobicContact CD1-CD1 4.15Å; F51-L55 HydrophobicContact CD2-CG 4.3Å; F51-L55 HydrophobicContact CE1-CD1 3.54Å; F51-L55 HydrophobicContact CE1-CG 4.28Å; F51-L55 HydrophobicContact CE2-CD1 4Å; F51-L55 HydrophobicContact CE2-CD2 4Å; F51-L55 HydrophobicContact CE2-CG 3.93Å; F51-L55 HydrophobicContact CZ-CD1 3.48Å; F51-L55 VanDerWaalsContact CZ-CD1 3.48Å; F51-L55 HydrophobicContact CZ-CD2 4.17Å; F51-L55 HydrophobicContact CZ-CG 3.95Å; F51-L55 WeakPolarHBondContact O-CG 3.43Å; F51-L55 PolarHBondContact O-N 3.3Å; F51-W75 AromaticContact CD2-CD2 3.99Å; F51-W75 HydrophobicContact CD2-CD2 3.99Å; F51-W75 AromaticContact CD2-CE3 3.57Å; F51-W75 HydrophobicContact CD2-CE3 3.57Å; F51-W75 AromaticContact CD2-CZ3 3.86Å; F51-W75 HydrophobicContact CD2-CZ3 3.86Å; F51-W75 HydrophobicContact CE2-CB 4.1Å; F51-W75 AromaticContact CE2-CD2 3.74Å; F51-W75 HydrophobicContact CE2-CD2 3.74Å; F51-W75 AromaticContact CE2-CE3 3.5Å; F51-W75 HydrophobicContact CE2-CE3 3.5Å; F51-W75 VanDerWaalsContact CE2-CE3 3.5Å; F51-W75 HydrophobicContact CE2-CG 4Å; F51-W75 HydrophobicContact CE2-CZ3 4.26Å; F51-I79 HydrophobicContact CE2-CD1 4.36Å; F51-I79 HydrophobicContact CZ-CD1 4.1Å; F51-I79 HydrophobicContact CZ-CG1 4.44Å; F51-L96 HydrophobicContact CB-CD2 4.34Å; F51-L100 HydrophobicContact CB-CD1 4.2Å; F51-L100 HydrophobicContact CD2-CD1 4.4Å; F51-L100 HydrophobicContact CG-CD1 4.5Å; F51-F114 HydrophobicContact CD1-CD1 4.3Å; F51-F114 AromaticContact CE1-CD1 3.91Å; F51-F114 HydrophobicContact CE1-CD1 3.91Å; F51-F114 HydrophobicContact CZ-CD1 4.48Å; F51-L117 HydrophobicContact CD1-CD1 4.37Å; F51-L117 HydrophobicContact CE1-CB 4.35Å; F51-L117 HydrophobicContact CE1-CD1 4.08Å; F51-I118 HydrophobicContact CZ-CD1 4.06Å; F51-I118 HydrophobicContact CZ-CG1 3.79Å
52N96.7Very high93.4Very high15 Ų1525.4 Ų25.48%0.0813%0.134CC..Hα-helixtrans-61.4-38.3175.4175.564.2000112.7L48 R49 L55 A56 R121 I147L48-N52 PolarHBondContact O-N 2.78Å; R49-N52 PolarHBondContact O-N 3.23Å; N52-L55 PolarHBondContact O-N 3.47Å; N52-A56 WeakPolarHBondContact O-CB 3.42Å; N52-A56 PolarHBondContact O-N 3.41Å; N52-R121 PolarHBondContact OD1-NH2 2.94Å; N52-I147 HydrophobicContact CB-CD1 3.77Å; N52-I147 HydrophobicContact CB-CG1 4.48Å
53V96.3Very high93Very high7 Ų731.7 Ų31.74%0.04217%0.165CC..Hα-helixtrans-62-46.7174.5167.10000110.9Y26 D27 R49 A50 F51 L55 A56 Q57Y26-V53 HydrophobicContact CD2-CG1 3.63Å; Y26-V53 HydrophobicContact CG-CG1 3.94Å; D27-V53 HydrophobicContact CB-CG2 4.04Å; R49-V53 WeakPolarHBondContact O-CG2 3.43Å; R49-V53 PolarHBondContact O-N 2.99Å; A50-V53 WeakPolarHBondContact O-CB 3.38Å; A50-V53 PolarHBondContact O-N 3.08Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 2.71Å; V53-L55 PolarHBondContact O-N 2.8Å; V53-A56 PolarHBondContact O-N 2.87Å; V53-Q57 VanDerWaalsContact O-CG 3.32Å; V53-Q57 WeakPolarHBondContact O-CG 3.41Å; V53-Q57 PolarHBondContact O-N 3.4Å; V53-Q57 VanDerWaalsContact O-N 3.08Å
54E95.1Very high92.7Very high16 Ų1629.6 Ų29.68%0.07515%0.153CC..Hα-helixtrans-63-41.7177.9-79.5-66.7139.800111.8Y18 I22 A50 F51 Q57 I58 R61 W75 L96Y18-E54 PolarHBondContact OH-OE1 3.14Å; I22-E54 HydrophobicContact CD1-CG 4.21Å; A50-E54 PolarHBondContact O-N 3.29Å; F51-E54 PolarHBondContact O-N 2.89Å; E54-Q57 PolarHBondContact O-N 2.76Å; E54-I58 WeakPolarHBondContact O-CG1 3.31Å; E54-I58 PolarHBondContact O-N 3.36Å; E54-R61 VanDerWaalsContact CD-NH1 3.31Å; E54-R61 IonicContact OE1-CZ 2.62Å; E54-R61 IonicContact OE1-NH1 3.9Å; E54-R61 PolarHBondContact OE1-NH1 3.39Å; E54-R61 VanDerWaalsContact OE1-NH1 3.09Å; E54-R61 IonicContact OE1-NH2 2.85Å; E54-R61 PolarHBondContact OE1-NH2 2.73Å; E54-R61 IonicContact OE2-CZ 2.94Å; E54-R61 IonicContact OE2-NH1 3.68Å; E54-R61 PolarHBondContact OE2-NH1 3.11Å; E54-W75 HydrophobicContact CB-CH2 4.47Å; E54-W75 HydrophobicContact CB-CZ2 3.66Å; E54-W75 HydrophobicContact CG-CZ2 4.04Å; E54-L96 HydrophobicContact CB-CD2 4.25Å; E54-L96 HydrophobicContact CG-CD2 3.81Å
55L95.5Very high92.3Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-62.5-44.5174.1-69.2-175.9000112.6F51 N52 V53 Q57 I58 F72 W75 L117 I118 R121F51-L55 HydrophobicContact CD1-CD1 4.15Å; F51-L55 HydrophobicContact CD2-CG 4.3Å; F51-L55 HydrophobicContact CE1-CD1 3.54Å; F51-L55 HydrophobicContact CE1-CG 4.28Å; F51-L55 HydrophobicContact CE2-CD1 4Å; F51-L55 HydrophobicContact CE2-CD2 4Å; F51-L55 HydrophobicContact CE2-CG 3.93Å; F51-L55 HydrophobicContact CZ-CD1 3.48Å; F51-L55 VanDerWaalsContact CZ-CD1 3.48Å; F51-L55 HydrophobicContact CZ-CD2 4.17Å; F51-L55 HydrophobicContact CZ-CG 3.95Å; F51-L55 WeakPolarHBondContact O-CG 3.43Å; F51-L55 PolarHBondContact O-N 3.3Å; N52-L55 PolarHBondContact O-N 3.47Å; V53-L55 PolarHBondContact O-N 2.8Å; L55-Q57 PolarHBondContact O-N 3.14Å; L55-I58 HydrophobicContact CD2-CD1 3.99Å; L55-I58 WeakPolarHBondContact O-CB 3.41Å; L55-I58 PolarHBondContact O-N 3.11Å; L55-F72 HydrophobicContact CD2-CD1 4.33Å; L55-F72 HydrophobicContact CD2-CE1 4.49Å; L55-W75 HydrophobicContact CD2-CB 4.12Å; L55-W75 HydrophobicContact CD2-CG 3.81Å; L55-L117 HydrophobicContact CD1-CB 3.9Å; L55-I118 HydrophobicContact CD1-CG1 4.05Å; L55-I118 HydrophobicContact CD2-CG1 4.09Å; L55-R121 HydrophobicContact CB-CG 4.23Å
56A92.3Very high92Very high38 Ų3834.7 Ų34.731%0.31419%0.188SC..Hα-helixtrans-63.2-31.5179.900000112.3N52 V53 I58N52-A56 WeakPolarHBondContact O-CB 3.42Å; N52-A56 PolarHBondContact O-N 3.41Å; V53-A56 PolarHBondContact O-N 2.87Å; A56-I58 VanDerWaalsContact C-N 3.35Å
57Q92.2Very high91.8Very high17 Ų1737.2 Ų37.28%0.07920%0.199CC..Hα-helixtrans-82.1-8.3-179.6-72178.5-1.800114.2V53 E54 L55 C59 D60 R61V53-Q57 VanDerWaalsContact O-CG 3.32Å; V53-Q57 WeakPolarHBondContact O-CG 3.41Å; V53-Q57 PolarHBondContact O-N 3.4Å; V53-Q57 VanDerWaalsContact O-N 3.08Å; E54-Q57 PolarHBondContact O-N 2.76Å; L55-Q57 PolarHBondContact O-N 3.14Å; Q57-C59 PolarHBondContact O-N 3.03Å; Q57-D60 PolarHBondContact O-N 2.94Å; Q57-D60 VanDerWaalsContact O-N 3.07Å; Q57-R61 HydrophobicContact CB-CG 4.49Å; Q57-R61 WeakPolarHBondContact O-CB 3.49Å; Q57-R61 WeakPolarHBondContact O-CG 3.36Å; Q57-R61 PolarHBondContact O-N 3.46Å
58I92.4Very high91.7Very high3 Ų337.2 Ų37.22%0.01520%0.199CC..Hα-helixtrans-58.5-38.4176.2-70.2171000110.6E54 L55 A56 D60 R61 S62 A68 R71 F72E54-I58 WeakPolarHBondContact O-CG1 3.31Å; E54-I58 PolarHBondContact O-N 3.36Å; L55-I58 HydrophobicContact CD2-CD1 3.99Å; L55-I58 WeakPolarHBondContact O-CB 3.41Å; L55-I58 PolarHBondContact O-N 3.11Å; A56-I58 VanDerWaalsContact C-N 3.35Å; I58-D60 VanDerWaalsContact C-N 3.27Å; I58-D60 PolarHBondContact O-N 2.93Å; I58-R61 PolarHBondContact O-N 3.22Å; I58-S62 VanDerWaalsContact O-CB 3.27Å; I58-S62 WeakPolarHBondContact O-CB 3.35Å; I58-S62 PolarHBondContact O-N 3.3Å; I58-S62 VanDerWaalsContact O-N 3.14Å; I58-S62 PolarHBondContact O-OG 3.29Å; I58-A68 HydrophobicContact CG2-CB 3.98Å; I58-R71 HydrophobicContact CD1-CB 3.98Å; I58-R71 HydrophobicContact CG1-CB 4.08Å; I58-R71 HydrophobicContact CG2-CB 4.12Å; I58-F72 HydrophobicContact CB-CE1 4.15Å; I58-F72 HydrophobicContact CB-CZ 3.99Å; I58-F72 HydrophobicContact CD1-CD1 3.5Å; I58-F72 VanDerWaalsContact CD1-CD1 3.5Å; I58-F72 HydrophobicContact CD1-CE1 3.45Å; I58-F72 VanDerWaalsContact CD1-CE1 3.45Å; I58-F72 HydrophobicContact CD1-CG 4.21Å; I58-F72 HydrophobicContact CD1-CZ 4.12Å; I58-F72 HydrophobicContact CG1-CE1 4.37Å; I58-F72 HydrophobicContact CG2-CD2 4.26Å; I58-F72 HydrophobicContact CG2-CE1 4.09Å; I58-F72 HydrophobicContact CG2-CE2 3.7Å; I58-F72 HydrophobicContact CG2-CZ 3.61Å
59C84.6Confident91.5Very high47 Ų4742.3 Ų42.332%0.31822%0.222SC..Hα-helixtrans-63.9-29.2177.3-60.90000113.6Q57 F125Q57-C59 PolarHBondContact O-N 3.03Å; C59-F125 HydrophobicContact CB-CD2 4.25Å; C59-F125 HydrophobicContact CB-CE2 4.46Å
60D84.9Confident91.3Very high105 Ų10550.7 Ų50.756%0.56126%0.255SS*.Hα-helixtrans-90.2-25.4180-62.4-32.6000112.5Q57 I58 K189Q57-D60 PolarHBondContact O-N 2.94Å; Q57-D60 VanDerWaalsContact O-N 3.07Å; I58-D60 VanDerWaalsContact C-N 3.27Å; I58-D60 PolarHBondContact O-N 2.93Å; D60-K189 WeakPolarHBondContact OD1-CE 3.5Å; D60-K189 IonicContact OD1-NZ 2.59Å; D60-K189 PolarHBondContact OD1-NZ 3.02Å
61R88.7Confident91.1Very high96 Ų9655.3 Ų55.336%0.36227%0.272SS..Hα-helixtrans-101.31.8-173.7-65.2175.8177.2178.60.6114.1E54 Q57 I58 R71E54-R61 VanDerWaalsContact CD-NH1 3.31Å; E54-R61 IonicContact OE1-CZ 2.62Å; E54-R61 IonicContact OE1-NH1 3.9Å; E54-R61 PolarHBondContact OE1-NH1 3.39Å; E54-R61 VanDerWaalsContact OE1-NH1 3.09Å; E54-R61 IonicContact OE1-NH2 2.85Å; E54-R61 PolarHBondContact OE1-NH2 2.73Å; E54-R61 IonicContact OE2-CZ 2.94Å; E54-R61 IonicContact OE2-NH1 3.68Å; E54-R61 PolarHBondContact OE2-NH1 3.11Å; Q57-R61 HydrophobicContact CB-CG 4.49Å; Q57-R61 WeakPolarHBondContact O-CB 3.49Å; Q57-R61 WeakPolarHBondContact O-CG 3.36Å; Q57-R61 PolarHBondContact O-N 3.46Å; I58-R61 PolarHBondContact O-N 3.22Å; R61-R71 PolarHBondContact O-NH2 3.46Å
62S88Confident91Very high13 Ų1355.4 Ų55.49%0.09127%0.272CS..  trans-116.9128.8-179.7-48.50000109.4I58 R71I58-S62 VanDerWaalsContact O-CB 3.27Å; I58-S62 WeakPolarHBondContact O-CB 3.35Å; I58-S62 PolarHBondContact O-N 3.3Å; I58-S62 VanDerWaalsContact O-N 3.14Å; I58-S62 PolarHBondContact O-OG 3.29Å; S62-R71 WeakPolarHBondContact OG-CD 3.3Å
63E83.9Confident90.9Very high170 Ų17058.8 Ų58.879%0.79429%0.288SS*.SBendtrans-77.7-30.4-179.1-62.2170.1164.200111.8Q67E63-Q67 PolarHBondContact OE2-NE2 2.68Å
64N86.8Confident90.7Very high73 Ų7361 Ų6139%0.3930%0.297SS..SBendtrans-144.4166.8-177.562.152.2000111.7A66 Q67 A68N64-A66 PolarHBondContact O-N 3.03Å; N64-A66 WeakPolarHBondContact OD1-CB 3.43Å; N64-A66 PolarHBondContact OD1-N 3.21Å; N64-A66 VanDerWaalsContact OD1-N 3.14Å; N64-Q67 PolarHBondContact O-N 3.34Å; N64-Q67 WeakPolarHBondContact OD1-CG 3.45Å; N64-Q67 PolarHBondContact OD1-N 2.99Å; N64-A68 PolarHBondContact O-N 3.41Å; N64-A68 VanDerWaalsContact O-N 3.13Å
65L86.9Confident90.7Very high57 Ų5760.8 Ų60.830%0.29830%0.295SS..Hα-helixtrans-59.3-34.1-179.2179.260.8000112.8A68 K69 F125 N126L65-A68 PolarHBondContact O-N 2.97Å; L65-K69 HydrophobicContact CD1-CG 4.25Å; L65-K69 HydrophobicContact CG-CD 4.29Å; L65-K69 HydrophobicContact CG-CG 4.42Å; L65-K69 WeakPolarHBondContact O-CB 3.47Å; L65-K69 VanDerWaalsContact O-CG 3.3Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.1Å; L65-F125 HydrophobicContact CB-CE1 4.13Å; L65-F125 HydrophobicContact CD1-CD1 3.64Å; L65-F125 HydrophobicContact CD1-CE1 3.98Å; L65-F125 HydrophobicContact CD1-CG 4.48Å; L65-N126 VanDerWaalsContact CD1-ND2 3.33Å; L65-N126 WeakPolarHBondContact CD1-ND2 3.49Å; L65-N126 VanDerWaalsContact CD2-ND2 3.31Å; L65-N126 WeakPolarHBondContact CD2-ND2 3.47Å
66A90.3Very high90.7Very high53 Ų5362.4 Ų62.444%0.43830%0.302SS..Hα-helixtrans-65.2-48.3179.700000111.1N64 A68 K69 Y70N64-A66 PolarHBondContact O-N 3.03Å; N64-A66 WeakPolarHBondContact OD1-CB 3.43Å; N64-A66 PolarHBondContact OD1-N 3.21Å; N64-A66 VanDerWaalsContact OD1-N 3.14Å; A66-A68 VanDerWaalsContact C-N 3.3Å; A66-A68 PolarHBondContact O-N 3.4Å; A66-K69 WeakPolarHBondContact O-CB 3.42Å; A66-K69 PolarHBondContact O-N 3.43Å; A66-Y70 WeakPolarHBondContact O-CD2 3.27Å; A66-Y70 PolarHBondContact O-N 3.19Å; A66-Y70 VanDerWaalsContact O-N 3.08Å
67Q91.4Very high90.8Very high65 Ų6564.2 Ų64.230%0.30430%0.303SS..Hα-helixtrans-58.5-42.1174.6-71.2178800111.9E63 N64 Y70 R71E63-Q67 PolarHBondContact OE2-NE2 2.68Å; N64-Q67 PolarHBondContact O-N 3.34Å; N64-Q67 WeakPolarHBondContact OD1-CG 3.45Å; N64-Q67 PolarHBondContact OD1-N 2.99Å; Q67-Y70 PolarHBondContact O-N 3.16Å; Q67-R71 PolarHBondContact O-N 2.98Å; Q67-R71 VanDerWaalsContact O-N 3.15Å
68A92.1Very high90.7Very high0 Ų063.5 Ų63.50%030%0.3CS..Hα-helixtrans-62.4-45.5177.300000111.9I58 N64 L65 A66 Y70 R71 F72 F125I58-A68 HydrophobicContact CG2-CB 3.98Å; N64-A68 PolarHBondContact O-N 3.41Å; N64-A68 VanDerWaalsContact O-N 3.13Å; L65-A68 PolarHBondContact O-N 2.97Å; A66-A68 VanDerWaalsContact C-N 3.3Å; A66-A68 PolarHBondContact O-N 3.4Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 3Å; A68-R71 PolarHBondContact O-N 3Å; A68-R71 VanDerWaalsContact O-N 3.11Å; A68-F72 HydrophobicContact CB-CD2 4.48Å; A68-F72 HydrophobicContact CB-CE2 4.19Å; A68-F72 WeakPolarHBondContact O-CD2 3.41Å; A68-F72 PolarHBondContact O-N 2.94Å; A68-F125 HydrophobicContact CB-CD1 4.37Å; A68-F125 HydrophobicContact CB-CD2 3.67Å; A68-F125 HydrophobicContact CB-CE1 4.05Å; A68-F125 HydrophobicContact CB-CE2 3.29Å; A68-F125 HydrophobicContact CB-CG 4.21Å; A68-F125 HydrophobicContact CB-CZ 3.51Å
69K92.7Very high90.9Very high108 Ų10863.4 Ų63.447%0.4730%0.299SS..Hα-helixtrans-57.2-44175.9-77-179.9173.8-174.70112.3L65 A66 R71 F72 Q73L65-K69 HydrophobicContact CD1-CG 4.25Å; L65-K69 HydrophobicContact CG-CD 4.29Å; L65-K69 HydrophobicContact CG-CG 4.42Å; L65-K69 WeakPolarHBondContact O-CB 3.47Å; L65-K69 VanDerWaalsContact O-CG 3.3Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.1Å; A66-K69 WeakPolarHBondContact O-CB 3.42Å; A66-K69 PolarHBondContact O-N 3.43Å; K69-R71 VanDerWaalsContact C-N 3.34Å; K69-R71 PolarHBondContact O-N 2.97Å; K69-F72 PolarHBondContact O-N 3.2Å; K69-Q73 WeakPolarHBondContact O-CB 3.48Å; K69-Q73 PolarHBondContact O-N 2.83Å
70Y92.6Very high91.2Very high182 Ų18265.7 Ų65.771%0.71431%0.306SS*.Hα-helixtrans-59.7-43175.1-74.2-66.3000112.1A66 Q67 A68 Q73 F74A66-Y70 WeakPolarHBondContact O-CD2 3.27Å; A66-Y70 PolarHBondContact O-N 3.19Å; A66-Y70 VanDerWaalsContact O-N 3.08Å; Q67-Y70 PolarHBondContact O-N 3.16Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 3Å; Y70-Q73 PolarHBondContact O-N 3.24Å; Y70-F74 WeakPolarHBondContact O-CB 3.26Å; Y70-F74 PolarHBondContact O-N 2.97Å
71R93.1Very high91.5Very high97 Ų9762.1 Ų62.137%0.36628%0.284SS..Hα-helixtrans-66.1-39.6177.3-68.3177.3-178.4-96.87112.5I58 R61 S62 Q67 A68 K69 F74 W75I58-R71 HydrophobicContact CD1-CB 3.98Å; I58-R71 HydrophobicContact CG1-CB 4.08Å; I58-R71 HydrophobicContact CG2-CB 4.12Å; R61-R71 PolarHBondContact O-NH2 3.46Å; S62-R71 WeakPolarHBondContact OG-CD 3.3Å; Q67-R71 PolarHBondContact O-N 2.98Å; Q67-R71 VanDerWaalsContact O-N 3.15Å; A68-R71 PolarHBondContact O-N 3Å; A68-R71 VanDerWaalsContact O-N 3.11Å; K69-R71 VanDerWaalsContact C-N 3.34Å; K69-R71 PolarHBondContact O-N 2.97Å; R71-F74 WeakPolarHBondContact O-CB 3.48Å; R71-W75 PolarHBondContact O-N 3.48Å
72F94.7Very high91.6Very high1 Ų158 Ų580%0.00427%0.269CS..Hα-helixtrans-66.7-41.8174.8-69.8-58.7000111.5L55 I58 A68 K69 F74 W75 R76 I118 R121 E122 F125L55-F72 HydrophobicContact CD2-CD1 4.33Å; L55-F72 HydrophobicContact CD2-CE1 4.49Å; I58-F72 HydrophobicContact CB-CE1 4.15Å; I58-F72 HydrophobicContact CB-CZ 3.99Å; I58-F72 HydrophobicContact CD1-CD1 3.5Å; I58-F72 VanDerWaalsContact CD1-CD1 3.5Å; I58-F72 HydrophobicContact CD1-CE1 3.45Å; I58-F72 VanDerWaalsContact CD1-CE1 3.45Å; I58-F72 HydrophobicContact CD1-CG 4.21Å; I58-F72 HydrophobicContact CD1-CZ 4.12Å; I58-F72 HydrophobicContact CG1-CE1 4.37Å; I58-F72 HydrophobicContact CG2-CD2 4.26Å; I58-F72 HydrophobicContact CG2-CE1 4.09Å; I58-F72 HydrophobicContact CG2-CE2 3.7Å; I58-F72 HydrophobicContact CG2-CZ 3.61Å; A68-F72 HydrophobicContact CB-CD2 4.48Å; A68-F72 HydrophobicContact CB-CE2 4.19Å; A68-F72 WeakPolarHBondContact O-CD2 3.41Å; A68-F72 PolarHBondContact O-N 2.94Å; K69-F72 PolarHBondContact O-N 3.2Å; F72-F74 PolarHBondContact O-N 3.15Å; F72-W75 PolarHBondContact O-N 2.65Å; F72-R76 WeakPolarHBondContact O-CG 3.07Å; F72-R76 PolarHBondContact O-N 3.4Å; F72-I118 HydrophobicContact CB-CG2 3.96Å; F72-I118 HydrophobicContact CD1-CG2 3.9Å; F72-I118 HydrophobicContact CG-CG2 4.32Å; F72-R121 HydrophobicContact CE1-CB 3.69Å; F72-R121 HydrophobicContact CZ-CB 4Å; F72-E122 HydrophobicContact CD1-CB 4.39Å; F72-E122 HydrophobicContact CD2-CB 3.68Å; F72-E122 HydrophobicContact CD2-CG 3.69Å; F72-E122 HydrophobicContact CE1-CB 4.46Å; F72-E122 HydrophobicContact CE2-CB 3.78Å; F72-E122 HydrophobicContact CE2-CG 4Å; F72-E122 HydrophobicContact CG-CB 4.02Å; F72-E122 HydrophobicContact CG-CG 4.33Å; F72-E122 HydrophobicContact CZ-CB 4.18Å; F72-F125 HydrophobicContact CE2-CD2 4.45Å
73Q94.2Very high91.7Very high86 Ų8660.6 Ų60.640%0.40228%0.279SS..Hα-helixtrans-61.7-42.8176-17756.726.700112.1K69 Y70 W75 R76 E77K69-Q73 WeakPolarHBondContact O-CB 3.48Å; K69-Q73 PolarHBondContact O-N 2.83Å; Y70-Q73 PolarHBondContact O-N 3.24Å; Q73-W75 VanDerWaalsContact C-N 3.29Å; Q73-W75 PolarHBondContact O-N 3.09Å; Q73-R76 WeakPolarHBondContact O-CA 3.42Å; Q73-R76 WeakPolarHBondContact O-CB 3.37Å; Q73-R76 PolarHBondContact O-N 3.42Å; Q73-E77 PolarHBondContact O-N 2.9Å
74F93.2Very high91.8Very high53 Ų5354.8 Ų54.823%0.23225%0.254CS..Hα-helixtrans-53.3-45.5172168.5-92000112.3Y70 R71 F72 R76 E77 I78 H92 T94Y70-F74 WeakPolarHBondContact O-CB 3.26Å; Y70-F74 PolarHBondContact O-N 2.97Å; R71-F74 WeakPolarHBondContact O-CB 3.48Å; F72-F74 PolarHBondContact O-N 3.15Å; F74-R76 VanDerWaalsContact C-N 3.35Å; F74-R76 PolarHBondContact O-N 3.32Å; F74-E77 PolarHBondContact O-N 3.5Å; F74-I78 HydrophobicContact CD1-CD1 4.06Å; F74-I78 HydrophobicContact CE1-CD1 3.3Å; F74-I78 HydrophobicContact CE1-CG1 4.32Å; F74-I78 HydrophobicContact CE2-CD1 4.31Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.35Å; F74-I78 PolarHBondContact O-N 3.19Å; F74-H92 HydrophobicContact CD2-CB 4.46Å; F74-H92 AromaticContact CD2-CD2 3.82Å; F74-H92 AromaticContact CD2-CG 3.85Å; F74-H92 AromaticContact CD2-ND1 4Å; F74-H92 AromaticContact CD2-NE2 3.95Å; F74-H92 HydrophobicContact CE2-CB 3.52Å; F74-H92 AromaticContact CE2-CD2 3.73Å; F74-H92 AromaticContact CE2-CG 3.33Å; F74-H92 AromaticContact CE2-ND1 3.63Å; F74-H92 HydrophobicContact CZ-CB 3.97Å; F74-T94 HydrophobicContact CE1-CG2 4.36Å; F74-T94 HydrophobicContact CZ-CG2 3.65Å
75W94.8Very high91.2Very high13 Ų1357 Ų575%0.04928%0.275CS..Hα-helixtrans-66.6-35.8176.4-77.4114.4000112.5F51 E54 L55 R71 F72 Q73 E77 I78 I79 L96 L100 I118F51-W75 AromaticContact CD2-CD2 3.99Å; F51-W75 HydrophobicContact CD2-CD2 3.99Å; F51-W75 AromaticContact CD2-CE3 3.57Å; F51-W75 HydrophobicContact CD2-CE3 3.57Å; F51-W75 AromaticContact CD2-CZ3 3.86Å; F51-W75 HydrophobicContact CD2-CZ3 3.86Å; F51-W75 HydrophobicContact CE2-CB 4.1Å; F51-W75 AromaticContact CE2-CD2 3.74Å; F51-W75 HydrophobicContact CE2-CD2 3.74Å; F51-W75 AromaticContact CE2-CE3 3.5Å; F51-W75 HydrophobicContact CE2-CE3 3.5Å; F51-W75 VanDerWaalsContact CE2-CE3 3.5Å; F51-W75 HydrophobicContact CE2-CG 4Å; F51-W75 HydrophobicContact CE2-CZ3 4.26Å; E54-W75 HydrophobicContact CB-CH2 4.47Å; E54-W75 HydrophobicContact CB-CZ2 3.66Å; E54-W75 HydrophobicContact CG-CZ2 4.04Å; L55-W75 HydrophobicContact CD2-CB 4.12Å; L55-W75 HydrophobicContact CD2-CG 3.81Å; R71-W75 PolarHBondContact O-N 3.48Å; F72-W75 PolarHBondContact O-N 2.65Å; Q73-W75 VanDerWaalsContact C-N 3.29Å; Q73-W75 PolarHBondContact O-N 3.09Å; W75-E77 VanDerWaalsContact C-N 3.32Å; W75-E77 PolarHBondContact O-N 3.49Å; W75-I78 HydrophobicContact CD2-CD1 4.5Å; W75-I78 HydrophobicContact CE3-CB 4.21Å; W75-I78 HydrophobicContact CE3-CD1 3.69Å; W75-I78 HydrophobicContact CE3-CG1 4.49Å; W75-I78 HydrophobicContact CE3-CG2 4.27Å; W75-I78 HydrophobicContact CH2-CD1 4.24Å; W75-I78 HydrophobicContact CZ3-CD1 3.55Å; W75-I78 HydrophobicContact CZ3-CG2 4.28Å; W75-I78 PolarHBondContact O-N 3.25Å; W75-I79 WeakPolarHBondContact O-CG1 3.11Å; W75-I79 PolarHBondContact O-N 3.16Å; W75-L96 HydrophobicContact CH2-CB 4.33Å; W75-L96 HydrophobicContact CH2-CD2 3.32Å; W75-L96 HydrophobicContact CH2-CG 3.85Å; W75-L96 HydrophobicContact CZ2-CD2 4.04Å; W75-L96 HydrophobicContact CZ3-CD2 3.99Å; W75-L96 HydrophobicContact CZ3-CG 4.21Å; W75-L100 HydrophobicContact CZ3-CD1 4.45Å; W75-I118 HydrophobicContact CB-CD1 3.95Å; W75-I118 HydrophobicContact CB-CG1 4.44Å
76R95.3Very high90.6Very high34 Ų3458.6 Ų58.613%0.12829%0.291CS..Hα-helixtrans-60.7-41.7173.9-67.6-178.8-178.995.79.3112.1F72 Q73 F74 I79 E80 Y115 I118 N119 E122F72-R76 WeakPolarHBondContact O-CG 3.07Å; F72-R76 PolarHBondContact O-N 3.4Å; Q73-R76 WeakPolarHBondContact O-CA 3.42Å; Q73-R76 WeakPolarHBondContact O-CB 3.37Å; Q73-R76 PolarHBondContact O-N 3.42Å; F74-R76 VanDerWaalsContact C-N 3.35Å; F74-R76 PolarHBondContact O-N 3.32Å; R76-I79 PolarHBondContact O-N 2.81Å; R76-E80 WeakPolarHBondContact O-CG 3.35Å; R76-E80 PolarHBondContact O-N 2.78Å; R76-Y115 HydrophobicContact CB-CE1 3.92Å; R76-Y115 HydrophobicContact CG-CD1 4.08Å; R76-Y115 HydrophobicContact CG-CE1 3.82Å; R76-I118 HydrophobicContact CG-CD1 3.87Å; R76-I118 HydrophobicContact CG-CG2 4.08Å; R76-N119 PolarHBondContact NH2-OD1 3.17Å; R76-E122 IonicContact CZ-OE2 2.76Å; R76-E122 IonicContact NH1-OE1 3.36Å; R76-E122 IonicContact NH1-OE2 3.84Å; R76-E122 PolarHBondContact NH1-OE2 2.97Å; R76-E122 IonicContact NH2-OE2 3.25Å; R76-E122 PolarHBondContact NH2-OE2 3.43Å
77E93.2Very high89.5Confident76 Ų7660.1 Ų60.136%0.35529%0.291SS..Hα-helixtrans-64.1-40175.5-69.5168.1-161.200111.8Q73 F74 W75 I79 E80 Y81 H92Q73-E77 PolarHBondContact O-N 2.9Å; F74-E77 PolarHBondContact O-N 3.5Å; W75-E77 VanDerWaalsContact C-N 3.32Å; W75-E77 PolarHBondContact O-N 3.49Å; E77-I79 VanDerWaalsContact C-N 3.34Å; E77-I79 PolarHBondContact O-N 2.99Å; E77-E80 WeakPolarHBondContact O-CB 3.37Å; E77-E80 PolarHBondContact O-N 2.71Å; E77-Y81 WeakPolarHBondContact O-CB 3.41Å; E77-Y81 PolarHBondContact O-N 3.44Å; E77-H92 IonicContact OE2-CD2 3.41Å; E77-H92 IonicContact OE2-CE1 3.82Å; E77-H92 IonicContact OE2-NE2 3.63Å; E77-H92 PolarHBondContact OE2-NE2 3.45Å
78I92Very high88.2Confident2 Ų264 Ų641%0.0132%0.315CS..Hα-helixtrans-60.3-45.8171.6-70.6178.7000110.3F74 W75 E80 Y81 L82F74-I78 HydrophobicContact CD1-CD1 4.06Å; F74-I78 HydrophobicContact CE1-CD1 3.3Å; F74-I78 HydrophobicContact CE1-CG1 4.32Å; F74-I78 HydrophobicContact CE2-CD1 4.31Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.35Å; F74-I78 PolarHBondContact O-N 3.19Å; W75-I78 HydrophobicContact CD2-CD1 4.5Å; W75-I78 HydrophobicContact CE3-CB 4.21Å; W75-I78 HydrophobicContact CE3-CD1 3.69Å; W75-I78 HydrophobicContact CE3-CG1 4.49Å; W75-I78 HydrophobicContact CE3-CG2 4.27Å; W75-I78 HydrophobicContact CH2-CD1 4.24Å; W75-I78 HydrophobicContact CZ3-CD1 3.55Å; W75-I78 HydrophobicContact CZ3-CG2 4.28Å; W75-I78 PolarHBondContact O-N 3.25Å; I78-E80 PolarHBondContact O-N 3.36Å; I78-Y81 CarbonylContact O-C 3.57Å; I78-Y81 WeakPolarHBondContact O-CB 3.48Å; I78-Y81 PolarHBondContact O-N 3.28Å; I78-Y81 VanDerWaalsContact O-N 3.16Å; I78-L82 HydrophobicContact CG2-CG 4.38Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.03Å
79I94.6Very high86.9Confident0 Ų068.6 Ų68.60%035%0.347CS..Hα-helixtrans-61.2-43.3177.9-62.9-49.8000111.4F51 W75 R76 E77 Y81 L82 F83 K111 F114 Y115 I118F51-I79 HydrophobicContact CE2-CD1 4.36Å; F51-I79 HydrophobicContact CZ-CD1 4.1Å; F51-I79 HydrophobicContact CZ-CG1 4.44Å; W75-I79 WeakPolarHBondContact O-CG1 3.11Å; W75-I79 PolarHBondContact O-N 3.16Å; R76-I79 PolarHBondContact O-N 2.81Å; E77-I79 VanDerWaalsContact C-N 3.34Å; E77-I79 PolarHBondContact O-N 2.99Å; I79-Y81 VanDerWaalsContact C-N 3.3Å; I79-Y81 PolarHBondContact O-N 3.26Å; I79-L82 HydrophobicContact CD1-CD1 3.71Å; I79-L82 WeakPolarHBondContact O-CB 3.38Å; I79-L82 PolarHBondContact O-N 3.38Å; I79-L82 VanDerWaalsContact O-N 3.15Å; I79-F83 HydrophobicContact CG2-CD2 4.18Å; I79-F83 HydrophobicContact CG2-CE2 4.17Å; I79-F83 WeakPolarHBondContact O-CD2 3.46Å; I79-F83 PolarHBondContact O-N 3.48Å; I79-K111 HydrophobicContact CG2-CG 3.95Å; I79-F114 HydrophobicContact CD1-CB 3.69Å; I79-F114 HydrophobicContact CD1-CD1 3.45Å; I79-F114 VanDerWaalsContact CD1-CD1 3.45Å; I79-F114 HydrophobicContact CD1-CE1 4.21Å; I79-F114 HydrophobicContact CD1-CG 3.72Å; I79-F114 HydrophobicContact CG1-CB 3.85Å; I79-F114 HydrophobicContact CG1-CG 4.42Å; I79-F114 HydrophobicContact CG2-CB 3.82Å; I79-F114 HydrophobicContact CG2-CG 4.42Å; I79-Y115 HydrophobicContact CG2-CE1 4.45Å; I79-Y115 HydrophobicContact CG2-CE2 4.14Å; I79-I118 HydrophobicContact CG1-CD1 3.91Å
80E92.7Very high85.5Confident96 Ų9664.2 Ų64.245%0.44933%0.33SS..Hα-helixtrans-53.8-50.2172.1-72.7-62.7158.500111R76 E77 I78 L82 F83 D84 K111 Y115R76-E80 WeakPolarHBondContact O-CG 3.35Å; R76-E80 PolarHBondContact O-N 2.78Å; E77-E80 WeakPolarHBondContact O-CB 3.37Å; E77-E80 PolarHBondContact O-N 2.71Å; I78-E80 PolarHBondContact O-N 3.36Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 2.85Å; E80-F83 PolarHBondContact O-N 2.86Å; E80-D84 PolarHBondContact O-N 2.88Å; E80-K111 IonicContact OE1-NZ 3.66Å; E80-K111 PolarHBondContact OE1-NZ 3.03Å; E80-K111 WeakPolarHBondContact OE2-CE 3.44Å; E80-K111 IonicContact OE2-NZ 3.43Å; E80-K111 PolarHBondContact OE2-NZ 3.4Å; E80-Y115 WeakPolarHBondContact CG-OH 3.5Å; E80-Y115 PolarHBondContact OE1-OH 3.39Å
81Y89.9Confident83.9Confident29 Ų2959.6 Ų59.611%0.11432%0.322CS..Hα-helixtrans-61.1-33.7177.6171.6-104.4000113.5E77 I78 I79 F83 N87 N88 S90 K101E77-Y81 WeakPolarHBondContact O-CB 3.41Å; E77-Y81 PolarHBondContact O-N 3.44Å; I78-Y81 CarbonylContact O-C 3.57Å; I78-Y81 WeakPolarHBondContact O-CB 3.48Å; I78-Y81 PolarHBondContact O-N 3.28Å; I78-Y81 VanDerWaalsContact O-N 3.16Å; I79-Y81 VanDerWaalsContact C-N 3.3Å; I79-Y81 PolarHBondContact O-N 3.26Å; Y81-F83 VanDerWaalsContact C-N 3.29Å; Y81-F83 PolarHBondContact O-N 3.4Å; Y81-N87 VanDerWaalsContact CE2-O 3.28Å; Y81-N87 WeakPolarHBondContact CE2-O 3.33Å; Y81-N88 PolarHBondContact OH-O 3.42Å; Y81-S90 VanDerWaalsContact CE2-CA 3.45Å; Y81-S90 PolarHBondContact OH-N 3Å; Y81-K101 HydrophobicContact CD1-CD 4.22Å; Y81-K101 HydrophobicContact CE1-CB 4.08Å; Y81-K101 HydrophobicContact CE1-CD 3.73Å; Y81-K101 HydrophobicContact CE1-CG 3.79Å; Y81-K101 PolarHBondContact O-NZ 3.24Å
82L90.7Very high82.6Confident9 Ų957.4 Ų57.45%0.04732%0.316CS..Hα-helixtrans-60-41.4177.1-65.8-176.9000111.7I78 I79 E80 L100 K101 V104I78-L82 HydrophobicContact CG2-CG 4.38Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.03Å; I79-L82 HydrophobicContact CD1-CD1 3.71Å; I79-L82 WeakPolarHBondContact O-CB 3.38Å; I79-L82 PolarHBondContact O-N 3.38Å; I79-L82 VanDerWaalsContact O-N 3.15Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 2.85Å; L82-L100 HydrophobicContact CD1-CB 4.12Å; L82-L100 HydrophobicContact CD2-CB 3.8Å; L82-K101 HydrophobicContact CD2-CB 3.84Å; L82-K101 HydrophobicContact CD2-CD 4.17Å; L82-K101 PolarHBondContact O-NZ 3.5Å; L82-V104 HydrophobicContact CD1-CG2 4.5Å
83F90.1Very high81.5Confident69 Ų6965.9 Ų65.930%0.30336%0.355SS..Hα-helixtrans-95.1-9.8-175.1-69-84.9000114.2I79 E80 Y81 S85 L109 K111 F114I79-F83 HydrophobicContact CG2-CD2 4.18Å; I79-F83 HydrophobicContact CG2-CE2 4.17Å; I79-F83 WeakPolarHBondContact O-CD2 3.46Å; I79-F83 PolarHBondContact O-N 3.48Å; E80-F83 PolarHBondContact O-N 2.86Å; Y81-F83 VanDerWaalsContact C-N 3.29Å; Y81-F83 PolarHBondContact O-N 3.4Å; F83-S85 PolarHBondContact O-N 3.07Å; F83-L109 HydrophobicContact CE1-CB 4.17Å; F83-L109 WeakPolarHBondContact CE1-O 3.26Å; F83-L109 HydrophobicContact CZ-CB 4.05Å; F83-K111 HydrophobicContact CB-CD 4.34Å; F83-K111 HydrophobicContact CD1-CB 4.29Å; F83-K111 HydrophobicContact CD2-CB 3.89Å; F83-K111 HydrophobicContact CD2-CD 4.11Å; F83-K111 HydrophobicContact CD2-CG 3.58Å; F83-K111 HydrophobicContact CE1-CB 4.17Å; F83-K111 HydrophobicContact CE2-CB 3.78Å; F83-K111 HydrophobicContact CE2-CG 3.78Å; F83-K111 HydrophobicContact CG-CB 4.16Å; F83-K111 HydrophobicContact CG-CD 4.25Å; F83-K111 HydrophobicContact CG-CG 4.09Å; F83-K111 HydrophobicContact CZ-CB 3.92Å; F83-K111 HydrophobicContact CZ-CG 4.43Å; F83-F114 AromaticContact CE2-CD2 3.84Å; F83-F114 HydrophobicContact CE2-CD2 3.84Å; F83-F114 AromaticContact CE2-CE2 3.99Å; F83-F114 HydrophobicContact CE2-CE2 3.99Å; F83-F114 AromaticContact CZ-CD2 3.97Å; F83-F114 HydrophobicContact CZ-CD2 3.97Å; F83-F114 AromaticContact CZ-CE2 3.82Å; F83-F114 HydrophobicContact CZ-CE2 3.82Å
84D86.2Confident81.1Confident48 Ų4863.7 Ų63.726%0.25735%0.347SS..  trans-75.2119.3170.4-171.9-0.5000110.5E80 S86 N87 K101E80-D84 PolarHBondContact O-N 2.88Å; D84-S86 WeakPolarHBondContact OD1-CB 3.38Å; D84-S86 PolarHBondContact OD1-N 2.9Å; D84-S86 PolarHBondContact OD1-OG 2.92Å; D84-S86 PolarHBondContact OD2-OG 3.41Å; D84-N87 PolarHBondContact OD2-ND2 2.85Å; D84-K101 PolarHBondContact O-NZ 3.45Å
85S73.9Confident80.9Confident119 Ų11964 Ų6483%0.83236%0.355SS*.SBendtrans-87.1-11.9176.5580000113.3F83F83-S85 PolarHBondContact O-N 3.07Å
86S75.3Confident80.8Confident90 Ų9063.4 Ų63.463%0.62935%0.352SS*.SBendtrans-90.1-27-174.170.30000113.5D84D84-S86 WeakPolarHBondContact OD1-CB 3.38Å; D84-S86 PolarHBondContact OD1-N 2.9Å; D84-S86 PolarHBondContact OD1-OG 2.92Å; D84-S86 PolarHBondContact OD2-OG 3.41Å
87N66.8Low80.5Confident85 Ų8561.9 Ų61.946%0.45535%0.347SS..  trans-104.6116.6-177.9-78.2-50000112.1Y81 D84Y81-N87 VanDerWaalsContact CE2-O 3.28Å; Y81-N87 WeakPolarHBondContact CE2-O 3.33Å; D84-N87 PolarHBondContact OD2-ND2 2.85Å
88N65Low80.2Confident148 Ų14865.6 Ų65.679%0.79136%0.358SS*.  trans-90.2-8.9170.8-74.3-34.5000113.3Y81Y81-N88 PolarHBondContact OH-O 3.42Å
89S63.5Low80.1Confident96 Ų9667.3 Ų67.367%0.67137%0.366SS*.SBendtrans-101.7107178.7-58.40000108.8
90S63.1Low80Confident16 Ų1667.3 Ų67.311%0.11237%0.366CS..  trans-61133.4169.5-1750000108.7Y81 H92Y81-S90 VanDerWaalsContact CE2-CA 3.45Å; Y81-S90 PolarHBondContact OH-N 3Å; S90-H92 WeakPolarHBondContact CB-O 3.43Å; S90-H92 PolarHBondContact O-N 3.31Å; S90-H92 PolarHBondContact OG-N 3.31Å; S90-H92 VanDerWaalsContact OG-N 3.14Å; S90-H92 PolarHBondContact OG-O 3.22Å
91P59.9Low79.8Confident84 Ų8464.9 Ų64.955%0.54535%0.354SS..SBendtrans-61.6-21.4168.524.8-31.4000111.5
92H65Low79.7Confident52 Ų5269.6 Ų69.624%0.24138%0.377CS..SBendtrans-131.8114.1-173.6-58.1-61.4000111.7F74 E77 S90 T94F74-H92 HydrophobicContact CD2-CB 4.46Å; F74-H92 AromaticContact CD2-CD2 3.82Å; F74-H92 AromaticContact CD2-CG 3.85Å; F74-H92 AromaticContact CD2-ND1 4Å; F74-H92 AromaticContact CD2-NE2 3.95Å; F74-H92 HydrophobicContact CE2-CB 3.52Å; F74-H92 AromaticContact CE2-CD2 3.73Å; F74-H92 AromaticContact CE2-CG 3.33Å; F74-H92 AromaticContact CE2-ND1 3.63Å; F74-H92 HydrophobicContact CZ-CB 3.97Å; E77-H92 IonicContact OE2-CD2 3.41Å; E77-H92 IonicContact OE2-CE1 3.82Å; E77-H92 IonicContact OE2-NE2 3.63Å; E77-H92 PolarHBondContact OE2-NE2 3.45Å; S90-H92 WeakPolarHBondContact CB-O 3.43Å; S90-H92 PolarHBondContact O-N 3.31Å; S90-H92 PolarHBondContact OG-N 3.31Å; S90-H92 VanDerWaalsContact OG-N 3.14Å; S90-H92 PolarHBondContact OG-O 3.22Å; H92-T94 PolarHBondContact O-N 2.82Å
93H71.9Confident79.8Confident179 Ų17970 Ų7083%0.82938%0.381SS*.  trans-88.173.5179.1-66.4-65.5000112.1
94T86.8Confident79.9Confident40 Ų4067.3 Ų67.325%0.24537%0.37CS..  trans-96146.516963.30000111.6F74 H92 L96 G97 R98F74-T94 HydrophobicContact CE1-CG2 4.36Å; F74-T94 HydrophobicContact CZ-CG2 3.65Å; H92-T94 PolarHBondContact O-N 2.82Å; T94-L96 VanDerWaalsContact C-N 3.25Å; T94-L96 PolarHBondContact O-N 2.99Å; T94-G97 PolarHBondContact O-N 3.41Å; T94-G97 WeakPolarHBondContact OG1-CA 3.3Å; T94-G97 PolarHBondContact OG1-N 2.9Å; T94-R98 PolarHBondContact O-N 3.26Å
95P89.1Confident80Confident59 Ų5969.5 Ų69.538%0.38339%0.389SS..Hα-helixtrans-54.7-41.8175-2734.9000112.8Y18 E99Y18-P95 HydrophobicContact CD1-CB 4.02Å; Y18-P95 HydrophobicContact CD2-CB 4.46Å; Y18-P95 HydrophobicContact CG-CB 3.84Å; Y18-P95 HydrophobicContact CG-CG 4.49Å; P95-E99 WeakPolarHBondContact O-CG 3.24Å; P95-E99 PolarHBondContact O-N 3.12Å; P95-E99 VanDerWaalsContact O-N 3.09Å
96L91.3Very high80.8Confident1 Ų167.4 Ų67.41%0.00539%0.386CS..Hα-helixtrans-68.7-43.5177171.957.2000112.7Y18 C19 A47 A50 F51 E54 W75 T94 R98 E99 L100Y18-L96 HydrophobicContact CD1-CB 4.05Å; Y18-L96 HydrophobicContact CE1-CB 3.8Å; C19-L96 WeakPolarHBondContact SG-CD1 3.44Å; A47-L96 HydrophobicContact CB-CD1 4.42Å; A47-L96 WeakPolarHBondContact O-CD1 3.44Å; A50-L96 HydrophobicContact CB-CD1 3.75Å; A50-L96 HydrophobicContact CB-CD2 4.36Å; F51-L96 HydrophobicContact CB-CD2 4.34Å; E54-L96 HydrophobicContact CB-CD2 4.25Å; E54-L96 HydrophobicContact CG-CD2 3.81Å; W75-L96 HydrophobicContact CH2-CB 4.33Å; W75-L96 HydrophobicContact CH2-CD2 3.32Å; W75-L96 HydrophobicContact CH2-CG 3.85Å; W75-L96 HydrophobicContact CZ2-CD2 4.04Å; W75-L96 HydrophobicContact CZ3-CD2 3.99Å; W75-L96 HydrophobicContact CZ3-CG 4.21Å; T94-L96 VanDerWaalsContact C-N 3.25Å; T94-L96 PolarHBondContact O-N 2.99Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 PolarHBondContact O-N 3.38Å; L96-E99 PolarHBondContact O-N 3.3Å; L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 3.78Å; L96-L100 HydrophobicContact CG-CD1 3.92Å; L96-L100 HydrophobicContact CG-CG 4.37Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å; L96-L100 PolarHBondContact O-N 3.49Å
97G89.4Confident81.7Confident2 Ų264.2 Ų64.22%0.02136%0.362CS..Hα-helixtrans-58.1-40.2176.600000112.3T94 K101T94-G97 PolarHBondContact O-N 3.41Å; T94-G97 WeakPolarHBondContact OG1-CA 3.3Å; T94-G97 PolarHBondContact OG1-N 2.9Å; G97-K101 WeakPolarHBondContact O-CB 3.39Å; G97-K101 PolarHBondContact O-N 3.24Å
98R87.6Confident83Confident154 Ų15466.5 Ų66.558%0.58138%0.378SS*.Hα-helixtrans-64.3-51.9173.9179.517860.1-173.2-1.4112.2T94 L96 L100 K101 E102T94-R98 PolarHBondContact O-N 3.26Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 PolarHBondContact O-N 3.38Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.31Å; R98-K101 PolarHBondContact O-N 3.42Å; R98-E102 HydrophobicContact CG-CG 4.46Å; R98-E102 WeakPolarHBondContact CG-OE1 3.48Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 2.87Å
99E89.1Confident84.5Confident37 Ų3760.3 Ų60.317%0.17335%0.345CS..Hα-helixtrans-61.6-36179.5-73.8-173.1-140.700112Y18 C19 A47 P95 L96 S103Y18-E99 PolarHBondContact N-OE1 3.35Å; C19-E99 WeakPolarHBondContact CB-OE2 3.33Å; C19-E99 PolarHBondContact SG-OE2 3.38Å; A47-E99 HydrophobicContact CB-CB 4.42Å; P95-E99 WeakPolarHBondContact O-CG 3.24Å; P95-E99 PolarHBondContact O-N 3.12Å; P95-E99 VanDerWaalsContact O-N 3.09Å; L96-E99 PolarHBondContact O-N 3.3Å; E99-S103 WeakPolarHBondContact O-CB 3.27Å; E99-S103 PolarHBondContact O-N 3.43Å; E99-S103 PolarHBondContact O-OG 2.86Å
100L91.6Very high86.1Confident0 Ų057.9 Ų57.90%033%0.328CS..Hα-helixtrans-63.6-49.8172.1-77.3168.7000111.5A47 F51 W75 L82 L96 R98 E102 S103 V104A47-L100 HydrophobicContact CB-CD2 3.7Å; A47-L100 HydrophobicContact CB-CG 4.07Å; F51-L100 HydrophobicContact CB-CD1 4.2Å; F51-L100 HydrophobicContact CD2-CD1 4.4Å; F51-L100 HydrophobicContact CG-CD1 4.5Å; W75-L100 HydrophobicContact CZ3-CD1 4.45Å; L82-L100 HydrophobicContact CD1-CB 4.12Å; L82-L100 HydrophobicContact CD2-CB 3.8Å; L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 3.78Å; L96-L100 HydrophobicContact CG-CD1 3.92Å; L96-L100 HydrophobicContact CG-CG 4.37Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å; L96-L100 PolarHBondContact O-N 3.49Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.31Å; L100-E102 PolarHBondContact O-N 2.88Å; L100-S103 PolarHBondContact O-N 3Å; L100-S103 PolarHBondContact O-OG 2.81Å; L100-V104 VanDerWaalsContact O-CB 3.3Å; L100-V104 WeakPolarHBondContact O-CB 3.44Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.37Å
101K89.6Confident87.7Confident46 Ų4660 Ų6020%0.234%0.336CS..Hα-helixtrans-59.8-46.1-179.7-17568.9176.1-175.60111.5Y81 L82 D84 G97 R98 S105Y81-K101 HydrophobicContact CD1-CD 4.22Å; Y81-K101 HydrophobicContact CE1-CB 4.08Å; Y81-K101 HydrophobicContact CE1-CD 3.73Å; Y81-K101 HydrophobicContact CE1-CG 3.79Å; Y81-K101 PolarHBondContact O-NZ 3.24Å; L82-K101 HydrophobicContact CD2-CB 3.84Å; L82-K101 HydrophobicContact CD2-CD 4.17Å; L82-K101 PolarHBondContact O-NZ 3.5Å; D84-K101 PolarHBondContact O-NZ 3.45Å; G97-K101 WeakPolarHBondContact O-CB 3.39Å; G97-K101 PolarHBondContact O-N 3.24Å; R98-K101 PolarHBondContact O-N 3.42Å; K101-S105 PolarHBondContact O-N 2.92Å
102E88.4Confident89.4Confident128 Ų12862.2 Ų62.260%0.59834%0.339SS*.Hα-helixtrans-62.4-43.9177.5-71.8172.9-168.100111.7R98 L100 S105R98-E102 HydrophobicContact CG-CG 4.46Å; R98-E102 WeakPolarHBondContact CG-OE1 3.48Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 2.87Å; L100-E102 PolarHBondContact O-N 2.88Å; E102-S105 WeakPolarHBondContact O-CB 3.31Å; E102-S105 PolarHBondContact O-N 3.06Å
103S91.1Very high91Very high18 Ų1861.4 Ų61.413%0.12633%0.333CS..Hα-helixtrans-79.7-21.1-175.765.60000114.8E99 L100 L107E99-S103 WeakPolarHBondContact O-CB 3.27Å; E99-S103 PolarHBondContact O-N 3.43Å; E99-S103 PolarHBondContact O-OG 2.86Å; L100-S103 PolarHBondContact O-N 3Å; L100-S103 PolarHBondContact O-OG 2.81Å; S103-L107 VanDerWaalsContact O-CD1 3.31Å; S103-L107 WeakPolarHBondContact O-CD1 3.48Å
104V92.3Very high92.2Very high11 Ų1152.9 Ų52.97%0.06729%0.294CS..Hα-helixtrans-79.1-21.5173.4169.30000112.1F44 L82 L100 G106 L107 L109F44-V104 HydrophobicContact CD2-CG2 3.98Å; F44-V104 HydrophobicContact CE2-CG2 3.74Å; L82-V104 HydrophobicContact CD1-CG2 4.5Å; L100-V104 VanDerWaalsContact O-CB 3.3Å; L100-V104 WeakPolarHBondContact O-CB 3.44Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.37Å; V104-G106 PolarHBondContact O-N 2.91Å; V104-L107 VanDerWaalsContact O-CB 3.24Å; V104-L107 WeakPolarHBondContact O-CB 3.5Å; V104-L107 PolarHBondContact O-N 3.39Å; V104-L109 HydrophobicContact CB-CD1 4.44Å; V104-L109 HydrophobicContact CG1-CD1 4.07Å; V104-L109 HydrophobicContact CG2-CD1 3.86Å
105S88.7Confident92.7Very high94 Ų9452.4 Ų52.466%0.65729%0.288SS*.THydrogen-bonded Turntrans-54.6126.7-178.8-170.60000112.5K101 E102 L107K101-S105 PolarHBondContact O-N 2.92Å; E102-S105 WeakPolarHBondContact O-CB 3.31Å; E102-S105 PolarHBondContact O-N 3.06Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.92Å
106G90.5Very high93.1Very high75 Ų7551.7 Ų51.777%0.77328%0.279SS*.THydrogen-bonded Turntrans75.17.1-177.700000115.4V104V104-G106 PolarHBondContact O-N 2.91Å
107L94.3Very high93.4Very high23 Ų2351.6 Ų51.612%0.1228%0.279CS..  trans-93144172.2-63.7-175.7000112F44 S103 V104 S105 L109 A154F44-L107 HydrophobicContact CB-CD1 4.31Å; F44-L107 HydrophobicContact CD1-CD1 4.17Å; F44-L107 HydrophobicContact CD2-CD1 3.95Å; F44-L107 HydrophobicContact CE2-CD1 4.35Å; F44-L107 HydrophobicContact CG-CD1 3.85Å; S103-L107 VanDerWaalsContact O-CD1 3.31Å; S103-L107 WeakPolarHBondContact O-CD1 3.48Å; V104-L107 VanDerWaalsContact O-CB 3.24Å; V104-L107 WeakPolarHBondContact O-CB 3.5Å; V104-L107 PolarHBondContact O-N 3.39Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.92Å; L107-L109 HydrophobicContact CB-CD1 4.01Å; L107-L109 HydrophobicContact CB-CD2 4.14Å; L107-L109 HydrophobicContact CB-CG 3.69Å; L107-L109 HydrophobicContact CD1-CD1 3.96Å; L107-L109 HydrophobicContact CD1-CD2 4.3Å; L107-L109 HydrophobicContact CD1-CG 4.32Å; L107-A154 HydrophobicContact CD1-CB 3.8Å; L107-A154 HydrophobicContact CD2-CB 4.18Å; L107-A154 WeakPolarHBondContact CD2-O 3.24Å
108V94.1Very high93.7Very high133 Ų13351.5 Ų51.581%0.80628%0.278SS*.  trans-97.898167.2-177.70000107.1
109L96.8Very high94.1Very high18 Ų1847 Ų479%0.09427%0.265CS..  trans-119.3149-177.1-59.7177.7000111.3F44 F83 V104 L107 K111 F114 L150 E153 A154F44-L109 HydrophobicContact CD2-CD1 4.41Å; F44-L109 HydrophobicContact CE1-CD1 4.43Å; F44-L109 HydrophobicContact CE1-CD2 4.45Å; F44-L109 HydrophobicContact CE2-CD1 3.52Å; F44-L109 HydrophobicContact CZ-CD1 3.52Å; F44-L109 HydrophobicContact CZ-CD2 4.19Å; F83-L109 HydrophobicContact CE1-CB 4.17Å; F83-L109 WeakPolarHBondContact CE1-O 3.26Å; F83-L109 HydrophobicContact CZ-CB 4.05Å; V104-L109 HydrophobicContact CB-CD1 4.44Å; V104-L109 HydrophobicContact CG1-CD1 4.07Å; V104-L109 HydrophobicContact CG2-CD1 3.86Å; L107-L109 HydrophobicContact CB-CD1 4.01Å; L107-L109 HydrophobicContact CB-CD2 4.14Å; L107-L109 HydrophobicContact CB-CG 3.69Å; L107-L109 HydrophobicContact CD1-CD1 3.96Å; L107-L109 HydrophobicContact CD1-CD2 4.3Å; L107-L109 HydrophobicContact CD1-CG 4.32Å; L109-K111 PolarHBondContact O-N 2.9Å; L109-F114 HydrophobicContact CB-CE2 4.38Å; L109-F114 HydrophobicContact CD1-CE2 4.17Å; L109-F114 HydrophobicContact CD1-CZ 4.25Å; L109-L150 HydrophobicContact CB-CD2 4.1Å; L109-L150 HydrophobicContact CD2-CD2 4.41Å; L109-E153 HydrophobicContact CD2-CB 3.8Å; L109-A154 HydrophobicContact CD2-CB 4.08Å
110S96.7Very high94.3Very high45 Ų4545.3 Ų45.332%0.31526%0.258SS..  trans-78.5103.8174.5-64.10000110.9Q112 R113 E153S110-Q112 PolarHBondContact O-N 3.42Å; S110-R113 WeakPolarHBondContact O-CB 3.45Å; S110-R113 PolarHBondContact O-N 2.85Å; S110-E153 WeakPolarHBondContact CB-OE1 3.42Å; S110-E153 WeakPolarHBondContact CB-OE2 3.44Å; S110-E153 PolarHBondContact N-OE2 3.48Å; S110-E153 VanDerWaalsContact OG-CD 3.25Å; S110-E153 PolarHBondContact OG-OE1 3.17Å; S110-E153 PolarHBondContact OG-OE2 2.8Å
111K96.8Very high94.4Very high62 Ų6246.8 Ų46.827%0.2726%0.263SS..Hα-helixtrans-50.8-40.2171.7-171.8-173.7-170.7-158.20112.4I79 E80 F83 L109 R113 F114 Y115I79-K111 HydrophobicContact CG2-CG 3.95Å; E80-K111 IonicContact OE1-NZ 3.66Å; E80-K111 PolarHBondContact OE1-NZ 3.03Å; E80-K111 WeakPolarHBondContact OE2-CE 3.44Å; E80-K111 IonicContact OE2-NZ 3.43Å; E80-K111 PolarHBondContact OE2-NZ 3.4Å; F83-K111 HydrophobicContact CB-CD 4.34Å; F83-K111 HydrophobicContact CD1-CB 4.29Å; F83-K111 HydrophobicContact CD2-CB 3.89Å; F83-K111 HydrophobicContact CD2-CD 4.11Å; F83-K111 HydrophobicContact CD2-CG 3.58Å; F83-K111 HydrophobicContact CE1-CB 4.17Å; F83-K111 HydrophobicContact CE2-CB 3.78Å; F83-K111 HydrophobicContact CE2-CG 3.78Å; F83-K111 HydrophobicContact CG-CB 4.16Å; F83-K111 HydrophobicContact CG-CD 4.25Å; F83-K111 HydrophobicContact CG-CG 4.09Å; F83-K111 HydrophobicContact CZ-CB 3.92Å; F83-K111 HydrophobicContact CZ-CG 4.43Å; L109-K111 PolarHBondContact O-N 2.9Å; K111-R113 PolarHBondContact O-N 3.43Å; K111-F114 WeakPolarHBondContact O-CB 3.43Å; K111-F114 PolarHBondContact O-N 3.33Å; K111-F114 VanDerWaalsContact O-N 3.07Å; K111-Y115 HydrophobicContact CD-CE2 3.87Å; K111-Y115 VanDerWaalsContact CE-OH 3.27Å; K111-Y115 WeakPolarHBondContact CE-OH 3.27Å; K111-Y115 HydrophobicContact CG-CD2 4.17Å; K111-Y115 HydrophobicContact CG-CE2 3.66Å; K111-Y115 PolarHBondContact O-N 2.68Å
112Q97Very high94.5Very high130 Ų13046.8 Ų46.861%0.60726%0.264SS*.Hα-helixtrans-55.4-34.1177.9-176.859.121.100113.3S110 F114 Y115 Q116S110-Q112 PolarHBondContact O-N 3.42Å; Q112-F114 VanDerWaalsContact C-N 3.35Å; Q112-Y115 PolarHBondContact O-N 2.9Å; Q112-Q116 WeakPolarHBondContact O-CB 3.5Å; Q112-Q116 PolarHBondContact O-N 3.31Å
113R97.6Very high94.5Very high35 Ų3546.6 Ų46.613%0.13227%0.267CS..Hα-helixtrans-70.8-31.2-179.7-69.7-172.1-173.6-82.613.4112.6S110 K111 Q116 L117 P146 S149 L150 E153 N163S110-R113 WeakPolarHBondContact O-CB 3.45Å; S110-R113 PolarHBondContact O-N 2.85Å; K111-R113 PolarHBondContact O-N 3.43Å; R113-Q116 PolarHBondContact O-N 3.33Å; R113-L117 PolarHBondContact O-N 3.48Å; R113-P146 HydrophobicContact CB-CB 4Å; R113-P146 WeakPolarHBondContact O-CB 3.38Å; R113-S149 VanDerWaalsContact CD-CB 3.47Å; R113-S149 PolarHBondContact NH1-OG 2.59Å; R113-S149 VanDerWaalsContact NH1-OG 3.16Å; R113-L150 HydrophobicContact CB-CD1 4.05Å; R113-L150 HydrophobicContact CB-CD2 3.96Å; R113-L150 HydrophobicContact CB-CG 3.81Å; R113-E153 WeakPolarHBondContact CD-OE1 3.48Å; R113-E153 IonicContact CZ-OE1 3.39Å; R113-E153 IonicContact NE-OE1 2.61Å; R113-E153 PolarHBondContact NE-OE1 2.78Å; R113-E153 IonicContact NH2-OE1 3.69Å; R113-N163 PolarHBondContact NH2-OD1 2.69Å
114F97.8Very high94.3Very high0 Ų047.4 Ų47.40%027%0.268CS..Hα-helixtrans-66.9-44.9170.7-71.9-86.3000111.1F44 L48 F51 I79 F83 L109 K111 Q112 Q116 L117 I118 L150F44-F114 HydrophobicContact CE2-CZ 4.21Å; F44-F114 HydrophobicContact CZ-CZ 4.31Å; L48-F114 HydrophobicContact CD1-CD1 4.4Å; L48-F114 HydrophobicContact CD1-CE1 3.73Å; L48-F114 HydrophobicContact CD1-CZ 4.33Å; F51-F114 HydrophobicContact CD1-CD1 4.3Å; F51-F114 AromaticContact CE1-CD1 3.91Å; F51-F114 HydrophobicContact CE1-CD1 3.91Å; F51-F114 HydrophobicContact CZ-CD1 4.48Å; I79-F114 HydrophobicContact CD1-CB 3.69Å; I79-F114 HydrophobicContact CD1-CD1 3.45Å; I79-F114 VanDerWaalsContact CD1-CD1 3.45Å; I79-F114 HydrophobicContact CD1-CE1 4.21Å; I79-F114 HydrophobicContact CD1-CG 3.72Å; I79-F114 HydrophobicContact CG1-CB 3.85Å; I79-F114 HydrophobicContact CG1-CG 4.42Å; I79-F114 HydrophobicContact CG2-CB 3.82Å; I79-F114 HydrophobicContact CG2-CG 4.42Å; F83-F114 AromaticContact CE2-CD2 3.84Å; F83-F114 HydrophobicContact CE2-CD2 3.84Å; F83-F114 AromaticContact CE2-CE2 3.99Å; F83-F114 HydrophobicContact CE2-CE2 3.99Å; F83-F114 AromaticContact CZ-CD2 3.97Å; F83-F114 HydrophobicContact CZ-CD2 3.97Å; F83-F114 AromaticContact CZ-CE2 3.82Å; F83-F114 HydrophobicContact CZ-CE2 3.82Å; L109-F114 HydrophobicContact CB-CE2 4.38Å; L109-F114 HydrophobicContact CD1-CE2 4.17Å; L109-F114 HydrophobicContact CD1-CZ 4.25Å; K111-F114 WeakPolarHBondContact O-CB 3.43Å; K111-F114 PolarHBondContact O-N 3.33Å; K111-F114 VanDerWaalsContact O-N 3.07Å; Q112-F114 VanDerWaalsContact C-N 3.35Å; F114-Q116 VanDerWaalsContact C-N 3.29Å; F114-Q116 PolarHBondContact O-N 2.63Å; F114-L117 PolarHBondContact O-N 2.79Å; F114-I118 WeakPolarHBondContact O-CG1 3.42Å; F114-I118 PolarHBondContact O-N 3.48Å; F114-L150 HydrophobicContact CD1-CD1 4.01Å; F114-L150 HydrophobicContact CD2-CD1 3.92Å; F114-L150 HydrophobicContact CD2-CD2 3.8Å; F114-L150 HydrophobicContact CE1-CD1 3.92Å; F114-L150 HydrophobicContact CE2-CD1 3.81Å; F114-L150 HydrophobicContact CE2-CD2 3.37Å; F114-L150 HydrophobicContact CE2-CG 4.24Å; F114-L150 HydrophobicContact CG-CD1 4.03Å; F114-L150 HydrophobicContact CZ-CD1 3.82Å; F114-L150 HydrophobicContact CZ-CD2 3.97Å; F114-L150 HydrophobicContact CZ-CG 4.48Å
115Y97.6Very high93.8Very high30 Ų3048.8 Ų48.812%0.11827%0.273CS..Hα-helixtrans-61.7-38.3174.3-73.6-60.9000112.7R76 I79 E80 K111 Q112 L117 I118 N119R76-Y115 HydrophobicContact CB-CE1 3.92Å; R76-Y115 HydrophobicContact CG-CD1 4.08Å; R76-Y115 HydrophobicContact CG-CE1 3.82Å; I79-Y115 HydrophobicContact CG2-CE1 4.45Å; I79-Y115 HydrophobicContact CG2-CE2 4.14Å; E80-Y115 WeakPolarHBondContact CG-OH 3.5Å; E80-Y115 PolarHBondContact OE1-OH 3.39Å; K111-Y115 HydrophobicContact CD-CE2 3.87Å; K111-Y115 VanDerWaalsContact CE-OH 3.27Å; K111-Y115 WeakPolarHBondContact CE-OH 3.27Å; K111-Y115 HydrophobicContact CG-CD2 4.17Å; K111-Y115 HydrophobicContact CG-CE2 3.66Å; K111-Y115 PolarHBondContact O-N 2.68Å; Q112-Y115 PolarHBondContact O-N 2.9Å; Y115-L117 VanDerWaalsContact C-N 3.29Å; Y115-L117 PolarHBondContact O-N 2.97Å; Y115-I118 PolarHBondContact O-N 3.19Å; Y115-I118 VanDerWaalsContact O-N 3.15Å; Y115-N119 VanDerWaalsContact O-CB 3.27Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.41Å; Y115-N119 PolarHBondContact O-ND2 3.07Å; Y115-N119 PolarHBondContact O-OD1 3.42Å
116Q97Very high93Very high43 Ų4348.7 Ų48.720%0.20127%0.265CS..Hα-helixtrans-56.9-43176.3-166.2178.2400111.4Q112 R113 F114 S120 D141 D142 P146Q112-Q116 WeakPolarHBondContact O-CB 3.5Å; Q112-Q116 PolarHBondContact O-N 3.31Å; R113-Q116 PolarHBondContact O-N 3.33Å; F114-Q116 VanDerWaalsContact C-N 3.29Å; F114-Q116 PolarHBondContact O-N 2.63Å; Q116-S120 WeakPolarHBondContact O-CB 3.39Å; Q116-S120 PolarHBondContact O-N 3.41Å; Q116-S120 PolarHBondContact O-OG 3.15Å; Q116-S120 VanDerWaalsContact O-OG 3.07Å; Q116-D141 PolarHBondContact NE2-O 2.83Å; Q116-D142 HydrophobicContact CG-CB 3.97Å; Q116-D142 PolarHBondContact NE2-OD1 3.01Å; Q116-P146 HydrophobicContact CB-CG 4.08Å; Q116-P146 HydrophobicContact CG-CG 3.88Å
117L97Very high92Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-63.9-42.8174.3-68172.2000113.1F51 L55 R113 F114 Y115 S120 R121 A143 P146 I147 L150F51-L117 HydrophobicContact CD1-CD1 4.37Å; F51-L117 HydrophobicContact CE1-CB 4.35Å; F51-L117 HydrophobicContact CE1-CD1 4.08Å; L55-L117 HydrophobicContact CD1-CB 3.9Å; R113-L117 PolarHBondContact O-N 3.48Å; F114-L117 PolarHBondContact O-N 2.79Å; Y115-L117 VanDerWaalsContact C-N 3.29Å; Y115-L117 PolarHBondContact O-N 2.97Å; L117-S120 PolarHBondContact O-OG 3.39Å; L117-S120 VanDerWaalsContact O-OG 3.05Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 2.86Å; L117-A143 VanDerWaalsContact CD2-O 3.31Å; L117-A143 WeakPolarHBondContact CD2-O 3.48Å; L117-P146 HydrophobicContact CD1-CB 4.21Å; L117-P146 HydrophobicContact CD2-CB 3.8Å; L117-P146 HydrophobicContact CD2-CG 3.89Å; L117-P146 HydrophobicContact CG-CB 3.71Å; L117-P146 HydrophobicContact CG-CG 4.14Å; L117-I147 HydrophobicContact CD1-CG1 3.95Å; L117-I147 HydrophobicContact CD2-CD1 4.4Å; L117-I147 HydrophobicContact CD2-CG1 3.85Å; L117-L150 HydrophobicContact CD1-CD1 4.42Å
118I96.8Very high91.1Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-66.1-48179.5-60.6172.8000109.7F51 L55 F72 W75 R76 I79 F114 Y115 R121 E122F51-I118 HydrophobicContact CZ-CD1 4.06Å; F51-I118 HydrophobicContact CZ-CG1 3.79Å; L55-I118 HydrophobicContact CD1-CG1 4.05Å; L55-I118 HydrophobicContact CD2-CG1 4.09Å; F72-I118 HydrophobicContact CB-CG2 3.96Å; F72-I118 HydrophobicContact CD1-CG2 3.9Å; F72-I118 HydrophobicContact CG-CG2 4.32Å; W75-I118 HydrophobicContact CB-CD1 3.95Å; W75-I118 HydrophobicContact CB-CG1 4.44Å; R76-I118 HydrophobicContact CG-CD1 3.87Å; R76-I118 HydrophobicContact CG-CG2 4.08Å; I79-I118 HydrophobicContact CG1-CD1 3.91Å; F114-I118 WeakPolarHBondContact O-CG1 3.42Å; F114-I118 PolarHBondContact O-N 3.48Å; Y115-I118 PolarHBondContact O-N 3.19Å; Y115-I118 VanDerWaalsContact O-N 3.15Å; I118-R121 PolarHBondContact O-N 3.02Å; I118-E122 PolarHBondContact O-N 2.71Å
119N95.2Very high90.7Very high58 Ų5850.2 Ų50.231%0.3125%0.248SC..Hα-helixtrans-66.8-39.8-175.3-66.5-12.6000111.8R76 Y115 R121 E122 L123R76-N119 PolarHBondContact NH2-OD1 3.17Å; Y115-N119 VanDerWaalsContact O-CB 3.27Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.41Å; Y115-N119 PolarHBondContact O-ND2 3.07Å; Y115-N119 PolarHBondContact O-OD1 3.42Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.28Å; N119-E122 PolarHBondContact O-N 3.31Å; N119-L123 WeakPolarHBondContact O-CB 3.06Å; N119-L123 VanDerWaalsContact O-CG 3.25Å; N119-L123 WeakPolarHBondContact O-CG 3.23Å; N119-L123 PolarHBondContact O-N 3.27Å
120S94Very high90.6Very high3 Ų349.9 Ų49.92%0.02125%0.246CC..Hα-helixtrans-61.7-41.8176.459.70000112.1Q116 L117 H124 D142Q116-S120 WeakPolarHBondContact O-CB 3.39Å; Q116-S120 PolarHBondContact O-N 3.41Å; Q116-S120 PolarHBondContact O-OG 3.15Å; Q116-S120 VanDerWaalsContact O-OG 3.07Å; L117-S120 PolarHBondContact O-OG 3.39Å; L117-S120 VanDerWaalsContact O-OG 3.05Å; S120-H124 WeakPolarHBondContact O-CB 3.17Å; S120-H124 PolarHBondContact O-N 2.71Å; S120-H124 VanDerWaalsContact O-N 3.14Å; S120-D142 PolarHBondContact OG-O 3.44Å; S120-D142 VanDerWaalsContact OG-O 3.04Å
121R92.4Very high90.5Very high30 Ų3051.3 Ų51.311%0.11325%0.254CS..Hα-helixtrans-69.2-39.5177.5-62.8-65.4-174-172.31.2112.5N52 L55 F72 L117 I118 N119 F125 Y139N52-R121 PolarHBondContact OD1-NH2 2.94Å; L55-R121 HydrophobicContact CB-CG 4.23Å; F72-R121 HydrophobicContact CE1-CB 3.69Å; F72-R121 HydrophobicContact CZ-CB 4Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 2.86Å; I118-R121 PolarHBondContact O-N 3.02Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.28Å; R121-F125 PolarHBondContact O-N 2.88Å; R121-F125 VanDerWaalsContact O-N 3.14Å; R121-Y139 PolarHBondContact NH1-OH 3.42Å
122E93.1Very high90.5Very high47 Ų4750.9 Ų50.922%0.2226%0.257CS..Hα-helixtrans-66.5-44.7176.3-174.6176.4-147.400112.1F72 R76 I118 N119 H124 F125F72-E122 HydrophobicContact CD1-CB 4.39Å; F72-E122 HydrophobicContact CD2-CB 3.68Å; F72-E122 HydrophobicContact CD2-CG 3.69Å; F72-E122 HydrophobicContact CE1-CB 4.46Å; F72-E122 HydrophobicContact CE2-CB 3.78Å; F72-E122 HydrophobicContact CE2-CG 4Å; F72-E122 HydrophobicContact CG-CB 4.02Å; F72-E122 HydrophobicContact CG-CG 4.33Å; F72-E122 HydrophobicContact CZ-CB 4.18Å; R76-E122 IonicContact CZ-OE2 2.76Å; R76-E122 IonicContact NH1-OE1 3.36Å; R76-E122 IonicContact NH1-OE2 3.84Å; R76-E122 PolarHBondContact NH1-OE2 2.97Å; R76-E122 IonicContact NH2-OE2 3.25Å; R76-E122 PolarHBondContact NH2-OE2 3.43Å; I118-E122 PolarHBondContact O-N 2.71Å; N119-E122 PolarHBondContact O-N 3.31Å; E122-H124 VanDerWaalsContact C-N 3.29Å; E122-H124 PolarHBondContact O-N 2.88Å; E122-F125 VanDerWaalsContact O-CB 3.26Å; E122-F125 WeakPolarHBondContact O-CB 3.37Å; E122-F125 PolarHBondContact O-N 3.47Å; E122-F125 VanDerWaalsContact O-N 3.16Å
123L88.9Confident90.4Very high124 Ų12445.9 Ų45.965%0.64924%0.236SC*.Hα-helixtrans-60.6-39.9177.7-74.1169.7000111.9N119 F125N119-L123 WeakPolarHBondContact O-CB 3.06Å; N119-L123 VanDerWaalsContact O-CG 3.25Å; N119-L123 WeakPolarHBondContact O-CG 3.23Å; N119-L123 PolarHBondContact O-N 3.27Å; L123-F125 VanDerWaalsContact C-N 3.3Å; L123-F125 PolarHBondContact O-N 3.18Å
124H85.4Confident90.3Very high34 Ų3452.2 Ų52.216%0.15727%0.265CS..Hα-helixtrans-80.1-8.1-179.9-161.464.4000113.7S120 E122 N126 N127 F130 Y139S120-H124 WeakPolarHBondContact O-CB 3.17Å; S120-H124 PolarHBondContact O-N 2.71Å; S120-H124 VanDerWaalsContact O-N 3.14Å; E122-H124 VanDerWaalsContact C-N 3.29Å; E122-H124 PolarHBondContact O-N 2.88Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.4Å; H124-N127 PolarHBondContact CE1-O 3.43Å; H124-N127 PolarHBondContact ND1-O 3.13Å; H124-F130 AromaticContact CE1-CE1 4Å; H124-F130 AromaticContact CE1-CZ 3.57Å; H124-Y139 HydrophobicContact CB-CD2 4.28Å; H124-Y139 HydrophobicContact CB-CE2 3.58Å; H124-Y139 AromaticContact CD2-CZ 3.86Å; H124-Y139 AromaticContact CG-CE2 3.8Å; H124-Y139 AromaticContact CG-CZ 3.84Å
125F82.9Confident90.2Very high40 Ų4053.7 Ų53.718%0.17528%0.277CS..Hα-helixtrans-59.9-37.9175.7-175.4-83.3000111.7C59 L65 A68 F72 R121 E122 L123C59-F125 HydrophobicContact CB-CD2 4.25Å; C59-F125 HydrophobicContact CB-CE2 4.46Å; L65-F125 HydrophobicContact CB-CE1 4.13Å; L65-F125 HydrophobicContact CD1-CD1 3.64Å; L65-F125 HydrophobicContact CD1-CE1 3.98Å; L65-F125 HydrophobicContact CD1-CG 4.48Å; A68-F125 HydrophobicContact CB-CD1 4.37Å; A68-F125 HydrophobicContact CB-CD2 3.67Å; A68-F125 HydrophobicContact CB-CE1 4.05Å; A68-F125 HydrophobicContact CB-CE2 3.29Å; A68-F125 HydrophobicContact CB-CG 4.21Å; A68-F125 HydrophobicContact CB-CZ 3.51Å; F72-F125 HydrophobicContact CE2-CD2 4.45Å; R121-F125 PolarHBondContact O-N 2.88Å; R121-F125 VanDerWaalsContact O-N 3.14Å; E122-F125 VanDerWaalsContact O-CB 3.26Å; E122-F125 WeakPolarHBondContact O-CB 3.37Å; E122-F125 PolarHBondContact O-N 3.47Å; E122-F125 VanDerWaalsContact O-N 3.16Å; L123-F125 VanDerWaalsContact C-N 3.3Å; L123-F125 PolarHBondContact O-N 3.18Å
126N70.5Confident90.1Very high92 Ų9252.3 Ų52.349%0.49227%0.271SS..Hα-helixtrans-99.8-27.9-180-68-36.8000114L65 H124L65-N126 VanDerWaalsContact CD1-ND2 3.33Å; L65-N126 WeakPolarHBondContact CD1-ND2 3.49Å; L65-N126 VanDerWaalsContact CD2-ND2 3.31Å; L65-N126 WeakPolarHBondContact CD2-ND2 3.47Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.4Å
127N70.8Confident90.1Very high102 Ų10251.6 Ų51.655%0.54527%0.268SS..  trans-104.698.3-172.2-77.3-9.6000111.1H124 F129H124-N127 PolarHBondContact CE1-O 3.43Å; H124-N127 PolarHBondContact ND1-O 3.13Å; N127-F129 PolarHBondContact O-N 3.25Å
128V75.1Confident90.1Very high54 Ų5453.9 Ų53.933%0.32729%0.287SS..  trans-95.19.7-165.8-165.20000113.5V191 L193V128-V191 HydrophobicContact CG1-CB 3.89Å; V128-V191 HydrophobicContact CG1-CG1 3.19Å; V128-V191 HydrophobicContact CG1-CG2 3.42Å; V128-V191 VanDerWaalsContact CG1-CG2 3.42Å; V128-L193 HydrophobicContact CG1-CD2 4.29Å; V128-L193 WeakPolarHBondContact O-CD2 3.42Å
129F85.7Confident90Very high107 Ų10755.3 Ų55.347%0.46929%0.292SS..  trans-139.2154.4-178.462.4-90.4000112.3N127 L196N127-F129 PolarHBondContact O-N 3.25Å; F129-L196 HydrophobicContact CD2-CD1 3.84Å; F129-L196 HydrophobicContact CE2-CD1 4.46Å; F129-L196 HydrophobicContact CG-CD1 4.42Å
130F94.4Very high90.1Very high12 Ų1252.7 Ų52.75%0.05328%0.279CS..BIsolated β-bridgetrans-109.1123.9172.5-58.7-61.3000109.9H124 T132 A136 Y139 M178 L193 P195 L196H124-F130 AromaticContact CE1-CE1 4Å; H124-F130 AromaticContact CE1-CZ 3.57Å; F130-T132 VanDerWaalsContact C-N 3.28Å; F130-T132 PolarHBondContact O-N 2.99Å; F130-A136 HydrophobicContact CB-CB 3.96Å; F130-A136 HydrophobicContact CD1-CB 4.2Å; F130-A136 HydrophobicContact CD2-CB 3.58Å; F130-A136 HydrophobicContact CE2-CB 4.16Å; F130-A136 HydrophobicContact CG-CB 3.64Å; F130-Y139 AromaticContact CE1-CD1 3.82Å; F130-Y139 HydrophobicContact CE1-CD1 3.82Å; F130-Y139 AromaticContact CE1-CG 3.78Å; F130-Y139 HydrophobicContact CE1-CG 3.78Å; F130-Y139 HydrophobicContact CE2-CD1 4.43Å; F130-Y139 AromaticContact CZ-CD1 3.39Å; F130-Y139 HydrophobicContact CZ-CD1 3.39Å; F130-Y139 AromaticContact CZ-CE1 3.97Å; F130-Y139 HydrophobicContact CZ-CE1 3.97Å; F130-Y139 AromaticContact CZ-CG 3.85Å; F130-Y139 HydrophobicContact CZ-CG 3.85Å; F130-M178 HydrophobicContact CD2-SD 4.46Å; F130-L193 WeakPolarHBondContact CD2-O 3.43Å; F130-L193 HydrophobicContact CE2-CB 4.4Å; F130-P195 CarbonylContact O-C 3.57Å; F130-P195 WeakPolarHBondContact O-CA 3.29Å; F130-L196 WeakPolarHBondContact O-CG 3.33Å; F130-L196 PolarHBondContact O-N 2.85Å
131P94.9Very high90.2Very high74 Ų7454 Ų5448%0.48129%0.285SS..SBendtrans-66.7-31.817825.7-34000112.4A135 D197P131-A135 HydrophobicContact CG-CB 3.86Å; P131-D197 PolarHBondContact O-N 2.84Å
132T96.4Very high90.4Very high54 Ų5455.4 Ų55.433%0.33130%0.295SS..SBendtrans-141161.3-179.3630000112.8F130 K134 A135 A136 D197F130-T132 VanDerWaalsContact C-N 3.28Å; F130-T132 PolarHBondContact O-N 2.99Å; T132-K134 PolarHBondContact O-N 3.28Å; T132-A135 WeakPolarHBondContact O-CB 3.44Å; T132-A135 PolarHBondContact O-N 2.85Å; T132-A135 VanDerWaalsContact O-N 3.07Å; T132-A135 PolarHBondContact OG1-N 3.17Å; T132-A135 VanDerWaalsContact OG1-N 3.14Å; T132-A136 PolarHBondContact O-N 3.27Å; T132-A136 VanDerWaalsContact O-N 3.08Å; T132-D197 VanDerWaalsContact CA-CG 3.41Å; T132-D197 WeakPolarHBondContact CA-OD1 3.2Å; T132-D197 VanDerWaalsContact CA-OD2 3.24Å; T132-D197 WeakPolarHBondContact CA-OD2 3.5Å; T132-D197 VanDerWaalsContact CB-OD2 3.29Å; T132-D197 WeakPolarHBondContact CB-OD2 3.27Å; T132-D197 HydrophobicContact CG2-CB 4.4Å
133C95.2Very high90.5Very high25 Ų2553.2 Ų53.217%0.16929%0.285CS..Hα-helixtrans-54.4-39.2169.9-81.90000112A135 A136 E137 P195 D197 V198 L237C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 2.93Å; C133-A136 WeakPolarHBondContact O-CB 3.44Å; C133-A136 PolarHBondContact O-N 3.39Å; C133-E137 PolarHBondContact O-N 2.88Å; C133-P195 HydrophobicContact CB-CG 4.48Å; C133-D197 PolarHBondContact N-OD1 2.84Å; C133-D197 PolarHBondContact N-OD2 3.19Å; C133-V198 WeakPolarHBondContact SG-CG2 3.24Å; C133-L237 HydrophobicContact CB-CD2 4.1Å
134K96.1Very high90.9Very high168 Ų16848.3 Ų48.373%0.7326%0.258SS*.Hα-helixtrans-63.9-37.4177.9-172.3177.3-179.6-179.20112.2T132 E137 A138T132-K134 PolarHBondContact O-N 3.28Å; K134-E137 PolarHBondContact O-N 3.43Å; K134-A138 WeakPolarHBondContact O-CB 3.36Å; K134-A138 PolarHBondContact O-N 3.11Å
135A95.6Very high91.5Very high31 Ų3146.9 Ų46.926%0.25625%0.251SS..Hα-helixtrans-67.7-38.6174.900000111.7P131 T132 C133 A138 Y139P131-A135 HydrophobicContact CG-CB 3.86Å; T132-A135 WeakPolarHBondContact O-CB 3.44Å; T132-A135 PolarHBondContact O-N 2.85Å; T132-A135 VanDerWaalsContact O-N 3.07Å; T132-A135 PolarHBondContact OG1-N 3.17Å; T132-A135 VanDerWaalsContact OG1-N 3.14Å; C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 2.93Å; A135-A138 PolarHBondContact O-N 3.48Å; A135-Y139 PolarHBondContact O-N 3.37Å; A135-Y139 VanDerWaalsContact O-N 3.11Å
136A95.8Very high92.3Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-62.7-46.417300000111.5F130 T132 C133 A138 Y139 F140 P195F130-A136 HydrophobicContact CB-CB 3.96Å; F130-A136 HydrophobicContact CD1-CB 4.2Å; F130-A136 HydrophobicContact CD2-CB 3.58Å; F130-A136 HydrophobicContact CE2-CB 4.16Å; F130-A136 HydrophobicContact CG-CB 3.64Å; T132-A136 PolarHBondContact O-N 3.27Å; T132-A136 VanDerWaalsContact O-N 3.08Å; C133-A136 WeakPolarHBondContact O-CB 3.44Å; C133-A136 PolarHBondContact O-N 3.39Å; A136-A138 PolarHBondContact O-N 3.26Å; A136-Y139 PolarHBondContact O-N 3.24Å; A136-F140 HydrophobicContact CB-CE2 4.09Å; A136-F140 HydrophobicContact CB-CZ 4.1Å; A136-F140 WeakPolarHBondContact O-CD1 3.33Å; A136-F140 VanDerWaalsContact O-CD2 3.31Å; A136-F140 WeakPolarHBondContact O-CD2 3.27Å; A136-F140 WeakPolarHBondContact O-CG 3.46Å; A136-F140 PolarHBondContact O-N 2.87Å; A136-P195 HydrophobicContact CB-CG 4.1Å
137E96.8Very high93.6Very high29 Ų2940.7 Ų40.714%0.13622%0.22CC..Hα-helixtrans-60.3-41175.8-75-177.9-152.900112.9C133 K134 Y139 F140 D141 R171 M175 H241C133-E137 PolarHBondContact O-N 2.88Å; K134-E137 PolarHBondContact O-N 3.43Å; E137-Y139 VanDerWaalsContact C-N 3.35Å; E137-Y139 PolarHBondContact O-N 3.13Å; E137-F140 CarbonylContact O-C 3.58Å; E137-F140 WeakPolarHBondContact O-CB 3.43Å; E137-F140 PolarHBondContact O-N 3.21Å; E137-F140 VanDerWaalsContact O-N 3.11Å; E137-D141 PolarHBondContact O-N 2.7Å; E137-R171 HydrophobicContact CB-CG 4.23Å; E137-R171 HydrophobicContact CG-CG 4.15Å; E137-R171 IonicContact OE2-CZ 3.41Å; E137-R171 IonicContact OE2-NE 3.63Å; E137-R171 IonicContact OE2-NH1 2.75Å; E137-R171 PolarHBondContact OE2-NH1 3.26Å; E137-M175 HydrophobicContact CG-CE 3.8Å; E137-H241 IonicContact OE1-CE1 2.78Å; E137-H241 IonicContact OE1-NE2 3.43Å; E137-H241 PolarHBondContact OE1-NE2 2.93Å; E137-H241 IonicContact OE2-CE1 2.77Å; E137-H241 IonicContact OE2-NE2 3.94Å
138A96.1Very high94.8Very high47 Ų4736.1 Ų36.139%0.38820%0.195SC..Hα-helixtrans-61.6-43.2176.100000111.6K134 A135 A136 F140 D141 D142K134-A138 WeakPolarHBondContact O-CB 3.36Å; K134-A138 PolarHBondContact O-N 3.11Å; A135-A138 PolarHBondContact O-N 3.48Å; A136-A138 PolarHBondContact O-N 3.26Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.43Å; A138-D141 WeakPolarHBondContact O-CB 3.38Å; A138-D141 PolarHBondContact O-N 2.97Å; A138-D142 PolarHBondContact O-N 2.95Å
139Y95.5Very high95.9Very high30 Ų3033.5 Ų33.512%0.11818%0.18CC..Hα-helixtrans-61.5-39.4172.1168.8-105.8000112R121 H124 F130 A135 A136 E137 D141 D142 A143R121-Y139 PolarHBondContact NH1-OH 3.42Å; H124-Y139 HydrophobicContact CB-CD2 4.28Å; H124-Y139 HydrophobicContact CB-CE2 3.58Å; H124-Y139 AromaticContact CD2-CZ 3.86Å; H124-Y139 AromaticContact CG-CE2 3.8Å; H124-Y139 AromaticContact CG-CZ 3.84Å; F130-Y139 AromaticContact CE1-CD1 3.82Å; F130-Y139 HydrophobicContact CE1-CD1 3.82Å; F130-Y139 AromaticContact CE1-CG 3.78Å; F130-Y139 HydrophobicContact CE1-CG 3.78Å; F130-Y139 HydrophobicContact CE2-CD1 4.43Å; F130-Y139 AromaticContact CZ-CD1 3.39Å; F130-Y139 HydrophobicContact CZ-CD1 3.39Å; F130-Y139 AromaticContact CZ-CE1 3.97Å; F130-Y139 HydrophobicContact CZ-CE1 3.97Å; F130-Y139 AromaticContact CZ-CG 3.85Å; F130-Y139 HydrophobicContact CZ-CG 3.85Å; A135-Y139 PolarHBondContact O-N 3.37Å; A135-Y139 VanDerWaalsContact O-N 3.11Å; A136-Y139 PolarHBondContact O-N 3.24Å; E137-Y139 VanDerWaalsContact C-N 3.35Å; E137-Y139 PolarHBondContact O-N 3.13Å; Y139-D141 VanDerWaalsContact C-N 3.33Å; Y139-D141 PolarHBondContact O-N 3.43Å; Y139-D142 CarbonylContact O-C 3.6Å; Y139-D142 PolarHBondContact O-N 3.45Å; Y139-D142 VanDerWaalsContact O-N 3.13Å; Y139-A143 HydrophobicContact CD2-CB 4.45Å; Y139-A143 HydrophobicContact CE1-CB 4.17Å; Y139-A143 HydrophobicContact CE2-CB 4.02Å; Y139-A143 VanDerWaalsContact O-CB 3.23Å; Y139-A143 WeakPolarHBondContact O-CB 3.28Å; Y139-A143 PolarHBondContact O-N 2.76Å
140F96.6Very high96.5Very high4 Ų428.4 Ų28.42%0.01816%0.157CC..Hα-helixtrans-66.2-35.6177.1-58.3-23.5000112.8A136 E137 A138 D142 A143 Y144 R171 M175 M178A136-F140 HydrophobicContact CB-CE2 4.09Å; A136-F140 HydrophobicContact CB-CZ 4.1Å; A136-F140 WeakPolarHBondContact O-CD1 3.33Å; A136-F140 VanDerWaalsContact O-CD2 3.31Å; A136-F140 WeakPolarHBondContact O-CD2 3.27Å; A136-F140 WeakPolarHBondContact O-CG 3.46Å; A136-F140 PolarHBondContact O-N 2.87Å; E137-F140 CarbonylContact O-C 3.58Å; E137-F140 WeakPolarHBondContact O-CB 3.43Å; E137-F140 PolarHBondContact O-N 3.21Å; E137-F140 VanDerWaalsContact O-N 3.11Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.43Å; F140-D142 PolarHBondContact O-N 2.84Å; F140-A143 PolarHBondContact O-N 3.2Å; F140-Y144 HydrophobicContact CB-CD2 3.88Å; F140-Y144 HydrophobicContact CB-CE2 4.36Å; F140-Y144 HydrophobicContact CD1-CD2 4Å; F140-Y144 AromaticContact CD1-CE2 3.58Å; F140-Y144 HydrophobicContact CD1-CE2 3.58Å; F140-Y144 HydrophobicContact CE1-CE2 4.21Å; F140-Y144 HydrophobicContact CG-CD2 4.2Å; F140-Y144 HydrophobicContact CG-CE2 4.19Å; F140-Y144 PolarHBondContact O-N 3.2Å; F140-R171 HydrophobicContact CB-CG 4.39Å; F140-M175 HydrophobicContact CD2-CE 4.3Å; F140-M175 HydrophobicContact CE2-CE 3.79Å; F140-M175 HydrophobicContact CE2-CG 4.04Å; F140-M175 HydrophobicContact CE2-SD 3.8Å; F140-M178 HydrophobicContact CZ-CB 4.3Å; F140-M178 HydrophobicContact CZ-SD 4.09Å
141D97.1Very high96.7Very high29 Ų2928 Ų2816%0.15516%0.155CC..Hα-helixtrans-61.3-33.1172-71.4-13.7000111.4Q116 E137 A138 Y139 V145 P146 R171Q116-D141 PolarHBondContact NE2-O 2.83Å; E137-D141 PolarHBondContact O-N 2.7Å; A138-D141 WeakPolarHBondContact O-CB 3.38Å; A138-D141 PolarHBondContact O-N 2.97Å; Y139-D141 VanDerWaalsContact C-N 3.33Å; Y139-D141 PolarHBondContact O-N 3.43Å; D141-V145 HydrophobicContact CB-CG2 4.43Å; D141-V145 WeakPolarHBondContact O-CB 3.41Å; D141-P146 WeakPolarHBondContact O-CD 3.48Å; D141-R171 IonicContact OD1-CZ 3.6Å; D141-R171 IonicContact OD1-NE 2.78Å; D141-R171 PolarHBondContact OD1-NE 3.37Å; D141-R171 IonicContact OD1-NH2 3.79Å; D141-R171 IonicContact OD2-CZ 3.07Å; D141-R171 IonicContact OD2-NE 3.72Å; D141-R171 PolarHBondContact OD2-NE 2.87Å; D141-R171 IonicContact OD2-NH2 3.05Å; D141-R171 PolarHBondContact OD2-NH2 3.1Å
142D96.4Very high96.8Very high61 Ų6124.5 Ų24.533%0.32613%0.133SC..Hα-helixtrans-89.5-22.4177.4-61.6-35.5000114.3Q116 S120 A138 Y139 F140 P146Q116-D142 HydrophobicContact CG-CB 3.97Å; Q116-D142 PolarHBondContact NE2-OD1 3.01Å; S120-D142 PolarHBondContact OG-O 3.44Å; S120-D142 VanDerWaalsContact OG-O 3.04Å; A138-D142 PolarHBondContact O-N 2.95Å; Y139-D142 CarbonylContact O-C 3.6Å; Y139-D142 PolarHBondContact O-N 3.45Å; Y139-D142 VanDerWaalsContact O-N 3.13Å; F140-D142 PolarHBondContact O-N 2.84Å; D142-P146 WeakPolarHBondContact O-CG 3.19Å
143A95.4Very high96.9Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-99.5-28.1-174.200000114.4L117 Y139 F140L117-A143 VanDerWaalsContact CD2-O 3.31Å; L117-A143 WeakPolarHBondContact CD2-O 3.48Å; Y139-A143 HydrophobicContact CD2-CB 4.45Å; Y139-A143 HydrophobicContact CE1-CB 4.17Å; Y139-A143 HydrophobicContact CE2-CB 4.02Å; Y139-A143 VanDerWaalsContact O-CB 3.23Å; Y139-A143 WeakPolarHBondContact O-CB 3.28Å; Y139-A143 PolarHBondContact O-N 2.76Å; F140-A143 PolarHBondContact O-N 3.2Å
144Y97.2Very high97Very high22 Ų2221.8 Ų21.89%0.08611%0.114CC..THydrogen-bonded Turntrans-119.6-41.9-173.4-59.7-69.3000113.6F140 I147 H148 Q173 N177F140-Y144 HydrophobicContact CB-CD2 3.88Å; F140-Y144 HydrophobicContact CB-CE2 4.36Å; F140-Y144 HydrophobicContact CD1-CD2 4Å; F140-Y144 AromaticContact CD1-CE2 3.58Å; F140-Y144 HydrophobicContact CD1-CE2 3.58Å; F140-Y144 HydrophobicContact CE1-CE2 4.21Å; F140-Y144 HydrophobicContact CG-CD2 4.2Å; F140-Y144 HydrophobicContact CG-CE2 4.19Å; F140-Y144 PolarHBondContact O-N 3.2Å; Y144-I147 PolarHBondContact O-N 3.07Å; Y144-H148 PolarHBondContact O-CD2 3.44Å; Y144-Q173 HydrophobicContact CD1-CG 4.07Å; Y144-Q173 HydrophobicContact CE1-CG 4.41Å; Y144-Q173 HydrophobicContact CG-CG 4.42Å; Y144-N177 WeakPolarHBondContact CE1-ND2 3.44Å; Y144-N177 WeakPolarHBondContact OH-CB 3.47Å; Y144-N177 PolarHBondContact OH-ND2 3.24Å
145V97.8Very high97Very high3 Ų315 Ų152%0.0188%0.084CC..Hα-helixtrans-58.9-37.4-179.7-1800000113.4D141 I147 H148 S149 L166 N167D141-V145 HydrophobicContact CB-CG2 4.43Å; D141-V145 WeakPolarHBondContact O-CB 3.41Å; V145-I147 VanDerWaalsContact C-N 3.25Å; V145-I147 PolarHBondContact O-N 2.98Å; V145-H148 PolarHBondContact O-N 3.31Å; V145-S149 VanDerWaalsContact O-CB 3.32Å; V145-S149 WeakPolarHBondContact O-CB 3.4Å; V145-S149 PolarHBondContact O-N 3.26Å; V145-S149 PolarHBondContact O-OG 3.49Å; V145-L166 HydrophobicContact CG1-CB 4.16Å; V145-N167 WeakPolarHBondContact CG1-OD1 3.38Å
146P98.2Very high97Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-64.8-31.1-177.9-22.434.6000112.5R113 Q116 L117 D141 D142 S149 L150R113-P146 HydrophobicContact CB-CB 4Å; R113-P146 WeakPolarHBondContact O-CB 3.38Å; Q116-P146 HydrophobicContact CB-CG 4.08Å; Q116-P146 HydrophobicContact CG-CG 3.88Å; L117-P146 HydrophobicContact CD1-CB 4.21Å; L117-P146 HydrophobicContact CD2-CB 3.8Å; L117-P146 HydrophobicContact CD2-CG 3.89Å; L117-P146 HydrophobicContact CG-CB 3.71Å; L117-P146 HydrophobicContact CG-CG 4.14Å; D141-P146 WeakPolarHBondContact O-CD 3.48Å; D142-P146 WeakPolarHBondContact O-CG 3.19Å; P146-S149 PolarHBondContact O-N 3.42Å; P146-L150 VanDerWaalsContact O-CB 3.27Å; P146-L150 WeakPolarHBondContact O-CB 3.26Å; P146-L150 WeakPolarHBondContact O-CD1 3.43Å; P146-L150 WeakPolarHBondContact O-CG 3.27Å; P146-L150 PolarHBondContact O-N 3.34Å
147I97.9Very high97Very high2 Ų216.1 Ų16.11%0.0110%0.095CC..Hα-helixtrans-62.1-52.7175.6-57.3172.4000109.5L48 N52 L117 Y144 V145 S149 L150 L151L48-I147 HydrophobicContact CD2-CG2 4.14Å; L48-I147 HydrophobicContact CG-CG2 4.37Å; N52-I147 HydrophobicContact CB-CD1 3.77Å; N52-I147 HydrophobicContact CB-CG1 4.48Å; L117-I147 HydrophobicContact CD1-CG1 3.95Å; L117-I147 HydrophobicContact CD2-CD1 4.4Å; L117-I147 HydrophobicContact CD2-CG1 3.85Å; Y144-I147 PolarHBondContact O-N 3.07Å; V145-I147 VanDerWaalsContact C-N 3.25Å; V145-I147 PolarHBondContact O-N 2.98Å; I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.29Å; I147-L150 PolarHBondContact O-N 2.84Å; I147-L151 HydrophobicContact CG2-CD1 4.41Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.3Å; I147-L151 PolarHBondContact O-N 3.12Å
148H97.8Very high97Very high6 Ų618.4 Ų18.43%0.02811%0.106CC..Hα-helixtrans-65.9-34.6-179-57.6-51.4000112.3Y144 V145 S152 L166 F169 Q173Y144-H148 PolarHBondContact O-CD2 3.44Å; V145-H148 PolarHBondContact O-N 3.31Å; H148-S152 WeakPolarHBondContact O-CB 3.28Å; H148-S152 PolarHBondContact O-N 3.46Å; H148-S152 PolarHBondContact O-OG 2.85Å; H148-L166 HydrophobicContact CB-CD2 3.92Å; H148-F169 HydrophobicContact CB-CD1 4.34Å; H148-F169 AromaticContact CD2-CD1 3.57Å; H148-F169 AromaticContact CD2-CE1 3.87Å; H148-F169 AromaticContact CE1-CD1 3.82Å; H148-F169 AromaticContact CE1-CE1 3.28Å; H148-F169 WeakPolarHBondContact CE1-CE1 3.45Å; H148-F169 AromaticContact CE1-CZ 3.7Å; H148-F169 AromaticContact CG-CD1 3.69Å; H148-F169 AromaticContact CG-CE1 3.76Å; H148-F169 AromaticContact ND1-CD1 3.87Å; H148-F169 AromaticContact ND1-CE1 3.42Å; H148-F169 WeakPolarHBondContact ND1-CE1 3.49Å; H148-F169 AromaticContact NE2-CD1 3.65Å; H148-F169 AromaticContact NE2-CE1 3.57Å; H148-F169 AromaticContact NE2-CZ 4Å; H148-Q173 PolarHBondContact CE1-OE1 3.37Å; H148-Q173 PolarHBondContact NE2-OE1 2.8Å
149S98.1Very high97Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-68.5-46.9177.2-61.90000112.1R113 V145 P146 I147 L151 S152 E153R113-S149 VanDerWaalsContact CD-CB 3.47Å; R113-S149 PolarHBondContact NH1-OG 2.59Å; R113-S149 VanDerWaalsContact NH1-OG 3.16Å; V145-S149 VanDerWaalsContact O-CB 3.32Å; V145-S149 WeakPolarHBondContact O-CB 3.4Å; V145-S149 PolarHBondContact O-N 3.26Å; V145-S149 PolarHBondContact O-OG 3.49Å; P146-S149 PolarHBondContact O-N 3.42Å; I147-S149 VanDerWaalsContact C-N 3.27Å; I147-S149 PolarHBondContact O-N 3.29Å; S149-L151 VanDerWaalsContact C-N 3.32Å; S149-L151 PolarHBondContact O-N 3.28Å; S149-S152 CarbonylContact O-C 3.6Å; S149-S152 WeakPolarHBondContact O-CA 3.49Å; S149-S152 WeakPolarHBondContact O-CB 3.31Å; S149-S152 PolarHBondContact O-N 2.89Å; S149-S152 VanDerWaalsContact O-N 3.07Å; S149-E153 WeakPolarHBondContact O-CB 3.22Å; S149-E153 VanDerWaalsContact O-CG 3.31Å; S149-E153 WeakPolarHBondContact O-CG 3.4Å; S149-E153 PolarHBondContact O-N 2.96Å
150L98.2Very high96.9Very high0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-61.6-39.6176-76.6168.2000111.8F44 L48 L109 R113 F114 L117 P146 I147 S152 E153 A154F44-L150 HydrophobicContact CE1-CB 4.49Å; F44-L150 WeakPolarHBondContact CE1-O 3.16Å; F44-L150 HydrophobicContact CZ-CB 4.24Å; L48-L150 HydrophobicContact CD1-CD1 3.72Å; L48-L150 HydrophobicContact CD2-CB 3.64Å; L48-L150 HydrophobicContact CD2-CD1 4.3Å; L109-L150 HydrophobicContact CB-CD2 4.1Å; L109-L150 HydrophobicContact CD2-CD2 4.41Å; R113-L150 HydrophobicContact CB-CD1 4.05Å; R113-L150 HydrophobicContact CB-CD2 3.96Å; R113-L150 HydrophobicContact CB-CG 3.81Å; F114-L150 HydrophobicContact CD1-CD1 4.01Å; F114-L150 HydrophobicContact CD2-CD1 3.92Å; F114-L150 HydrophobicContact CD2-CD2 3.8Å; F114-L150 HydrophobicContact CE1-CD1 3.92Å; F114-L150 HydrophobicContact CE2-CD1 3.81Å; F114-L150 HydrophobicContact CE2-CD2 3.37Å; F114-L150 HydrophobicContact CE2-CG 4.24Å; F114-L150 HydrophobicContact CG-CD1 4.03Å; F114-L150 HydrophobicContact CZ-CD1 3.82Å; F114-L150 HydrophobicContact CZ-CD2 3.97Å; F114-L150 HydrophobicContact CZ-CG 4.48Å; L117-L150 HydrophobicContact CD1-CD1 4.42Å; P146-L150 VanDerWaalsContact O-CB 3.27Å; P146-L150 WeakPolarHBondContact O-CB 3.26Å; P146-L150 WeakPolarHBondContact O-CD1 3.43Å; P146-L150 WeakPolarHBondContact O-CG 3.27Å; P146-L150 PolarHBondContact O-N 3.34Å; I147-L150 PolarHBondContact O-N 2.84Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.09Å; L150-E153 PolarHBondContact O-N 2.98Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.29Å
151L97.7Very high96.7Very high2 Ų224.2 Ų24.21%0.0114%0.142CC..Hα-helixtrans-60.9-42.8171.8-69.2176.2000111.7F44 A45 L48 I147 S149 A154 Y155 L285F44-L151 HydrophobicContact CD1-CD2 4.26Å; F44-L151 HydrophobicContact CE1-CD2 4.27Å; A45-L151 HydrophobicContact CB-CD2 3.43Å; A45-L151 VanDerWaalsContact CB-CD2 3.43Å; L48-L151 HydrophobicContact CD2-CD2 4.01Å; L48-L151 HydrophobicContact CD2-CG 3.96Å; I147-L151 HydrophobicContact CG2-CD1 4.41Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.3Å; I147-L151 PolarHBondContact O-N 3.12Å; S149-L151 VanDerWaalsContact C-N 3.32Å; S149-L151 PolarHBondContact O-N 3.28Å; L151-A154 WeakPolarHBondContact O-CB 3.28Å; L151-A154 PolarHBondContact O-N 2.82Å; L151-Y155 VanDerWaalsContact O-CD2 3.26Å; L151-Y155 WeakPolarHBondContact O-CD2 3.37Å; L151-Y155 PolarHBondContact O-N 3.02Å; L151-L285 HydrophobicContact CB-CD2 3.95Å; L151-L285 HydrophobicContact CD1-CD2 4.47Å
152S97.6Very high96.7Very high1 Ų123 Ų231%0.00714%0.135CC..Hα-helixtrans-67.2-43179-56.80000111.7H148 S149 L150 A154 Y155 G156 F157 L162H148-S152 WeakPolarHBondContact O-CB 3.28Å; H148-S152 PolarHBondContact O-N 3.46Å; H148-S152 PolarHBondContact O-OG 2.85Å; S149-S152 CarbonylContact O-C 3.6Å; S149-S152 WeakPolarHBondContact O-CA 3.49Å; S149-S152 WeakPolarHBondContact O-CB 3.31Å; S149-S152 PolarHBondContact O-N 2.89Å; S149-S152 VanDerWaalsContact O-N 3.07Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.09Å; S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 3.09Å; S152-Y155 PolarHBondContact O-N 3.07Å; S152-Y155 VanDerWaalsContact O-N 3.14Å; S152-G156 PolarHBondContact O-N 3.2Å; S152-G156 VanDerWaalsContact O-N 3.11Å; S152-F157 WeakPolarHBondContact O-CD2 3.42Å; S152-F157 PolarHBondContact O-N 2.9Å; S152-L162 WeakPolarHBondContact OG-CD2 3.41Å
153E97.4Very high96.7Very high20 Ų2022.4 Ų22.49%0.09313%0.132CC..Hα-helixtrans-59.6-40.9173.4-71.7171.9-178.900111.3L109 S110 R113 S149 L150 Y155 G156 M159L109-E153 HydrophobicContact CD2-CB 3.8Å; S110-E153 WeakPolarHBondContact CB-OE1 3.42Å; S110-E153 WeakPolarHBondContact CB-OE2 3.44Å; S110-E153 PolarHBondContact N-OE2 3.48Å; S110-E153 VanDerWaalsContact OG-CD 3.25Å; S110-E153 PolarHBondContact OG-OE1 3.17Å; S110-E153 PolarHBondContact OG-OE2 2.8Å; R113-E153 WeakPolarHBondContact CD-OE1 3.48Å; R113-E153 IonicContact CZ-OE1 3.39Å; R113-E153 IonicContact NE-OE1 2.61Å; R113-E153 PolarHBondContact NE-OE1 2.78Å; R113-E153 IonicContact NH2-OE1 3.69Å; S149-E153 WeakPolarHBondContact O-CB 3.22Å; S149-E153 VanDerWaalsContact O-CG 3.31Å; S149-E153 WeakPolarHBondContact O-CG 3.4Å; S149-E153 PolarHBondContact O-N 2.96Å; L150-E153 PolarHBondContact O-N 2.98Å; E153-Y155 PolarHBondContact O-N 3.23Å; E153-G156 WeakPolarHBondContact O-CA 3.22Å; E153-G156 PolarHBondContact O-N 3.38Å; E153-M159 HydrophobicContact CG-CG 3.78Å; E153-M159 HydrophobicContact CG-SD 3.71Å
154A97Very high96.8Very high2 Ų225.6 Ų25.62%0.01715%0.152CC..Hα-helixtrans-60.4-31.1176.900000113.3R41 F44 L107 L109 L150 L151 S152R41-A154 HydrophobicContact CB-CB 4.48Å; R41-A154 WeakPolarHBondContact CD-O 3.31Å; R41-A154 HydrophobicContact CG-CB 4.23Å; R41-A154 PolarHBondContact NE-O 3.38Å; F44-A154 HydrophobicContact CD1-CB 3.5Å; F44-A154 HydrophobicContact CE1-CB 3.57Å; F44-A154 HydrophobicContact CG-CB 4.44Å; L107-A154 HydrophobicContact CD1-CB 3.8Å; L107-A154 HydrophobicContact CD2-CB 4.18Å; L107-A154 WeakPolarHBondContact CD2-O 3.24Å; L109-A154 HydrophobicContact CD2-CB 4.08Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.29Å; L151-A154 WeakPolarHBondContact O-CB 3.28Å; L151-A154 PolarHBondContact O-N 2.82Å; S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 3.09Å
155Y96.2Very high96.8Very high25 Ų2524.6 Ų24.610%0.09815%0.149CC..Hα-helixtrans-86.5-8.7173.2-77.3-76.4000113.6P38 R41 L151 S152 E153 L277 V281 L285P38-Y155 HydrophobicContact CB-CE1 4.12Å; P38-Y155 WeakPolarHBondContact CD-OH 3.35Å; P38-Y155 HydrophobicContact CG-CE1 4.25Å; P38-Y155 PolarHBondContact O-OH 3.25Å; R41-Y155 HydrophobicContact CB-CD2 4.38Å; R41-Y155 HydrophobicContact CB-CE1 4.01Å; R41-Y155 HydrophobicContact CB-CE2 3.78Å; R41-Y155 HydrophobicContact CG-CD1 3.9Å; R41-Y155 HydrophobicContact CG-CD2 4.25Å; R41-Y155 HydrophobicContact CG-CE1 3.69Å; R41-Y155 HydrophobicContact CG-CE2 4.06Å; R41-Y155 HydrophobicContact CG-CG 4.17Å; L151-Y155 VanDerWaalsContact O-CD2 3.26Å; L151-Y155 WeakPolarHBondContact O-CD2 3.37Å; L151-Y155 PolarHBondContact O-N 3.02Å; S152-Y155 PolarHBondContact O-N 3.07Å; S152-Y155 VanDerWaalsContact O-N 3.14Å; E153-Y155 PolarHBondContact O-N 3.23Å; Y155-L277 VanDerWaalsContact O-CD1 3.32Å; Y155-L277 WeakPolarHBondContact O-CD1 3.36Å; Y155-L277 WeakPolarHBondContact O-CD2 3.38Å; Y155-V281 HydrophobicContact CD1-CG1 3.64Å; Y155-V281 HydrophobicContact CD1-CG2 4.31Å; Y155-V281 HydrophobicContact CD2-CG1 3.76Å; Y155-V281 HydrophobicContact CE1-CG1 3.93Å; Y155-V281 HydrophobicContact CE2-CG1 4.04Å; Y155-V281 HydrophobicContact CG-CG1 3.56Å; Y155-L285 HydrophobicContact CD2-CD1 4.25Å; Y155-L285 HydrophobicContact CD2-CD2 4.14Å; Y155-L285 HydrophobicContact CE2-CD2 3.98Å
156G95.9Very high96.8Very high42 Ų4224.7 Ų24.743%0.43315%0.149SC..THydrogen-bonded Turntrans8625.9178.100000114.3S152 E153 Q274S152-G156 PolarHBondContact O-N 3.2Å; S152-G156 VanDerWaalsContact O-N 3.11Å; E153-G156 WeakPolarHBondContact O-CA 3.22Å; E153-G156 PolarHBondContact O-N 3.38Å; G156-Q274 PolarHBondContact O-NE2 2.79Å
157F96.9Very high96.8Very high14 Ų1427.1 Ų27.16%0.06116%0.162CC..  trans-65.2145.8174.3-80.1-86.1000112.1S152 M159 L162 L277 I278 V281 L282 L285S152-F157 WeakPolarHBondContact O-CD2 3.42Å; S152-F157 PolarHBondContact O-N 2.9Å; F157-M159 HydrophobicContact CB-SD 4.41Å; F157-M159 PolarHBondContact O-N 3.34Å; F157-L162 HydrophobicContact CB-CD2 3.84Å; F157-L162 HydrophobicContact CD1-CD2 3.94Å; F157-L162 HydrophobicContact CD2-CD2 4.42Å; F157-L162 HydrophobicContact CG-CD2 3.83Å; F157-L277 HydrophobicContact CD1-CB 4.09Å; F157-L277 HydrophobicContact CD1-CD1 4.48Å; F157-L277 HydrophobicContact CD2-CD1 4.4Å; F157-L277 HydrophobicContact CE1-CB 3.57Å; F157-L277 HydrophobicContact CE2-CB 4.07Å; F157-L277 HydrophobicContact CG-CD1 4.34Å; F157-L277 HydrophobicContact CZ-CB 3.57Å; F157-L277 WeakPolarHBondContact CZ-O 3.5Å; F157-I278 HydrophobicContact CE1-CG1 4.13Å; F157-V281 HydrophobicContact CE2-CB 4.15Å; F157-V281 HydrophobicContact CE2-CG1 3.9Å; F157-V281 HydrophobicContact CZ-CB 4.1Å; F157-V281 HydrophobicContact CZ-CG1 4.31Å; F157-L282 HydrophobicContact CE1-CB 4.2Å; F157-L282 HydrophobicContact CZ-CB 3.91Å; F157-L285 HydrophobicContact CD2-CD1 4.21Å; F157-L285 HydrophobicContact CE2-CD1 3.58Å; F157-L285 HydrophobicContact CZ-CD1 4.29Å
158E95.5Very high96.8Very high77 Ų7728.4 Ų28.436%0.3617%0.168SC..  trans-75.9110.7167.3-175.4162160.300110.3T160 S161 K270E158-T160 VanDerWaalsContact C-N 3.32Å; E158-T160 PolarHBondContact O-N 3.43Å; E158-S161 PolarHBondContact O-OG 3.06Å; E158-S161 VanDerWaalsContact O-OG 3.1Å; E158-K270 WeakPolarHBondContact OE2-CE 3.49Å; E158-K270 IonicContact OE2-NZ 2.79Å; E158-K270 PolarHBondContact OE2-NZ 3.48Å
159M96.2Very high96.8Very high26 Ų2628.2 Ų28.213%0.12817%0.167CC..Hα-helixtrans-69.2-27.7-170.5-61.6-50.2-59.600113.7E153 F157 S161 L162 N163 L166E153-M159 HydrophobicContact CG-CG 3.78Å; E153-M159 HydrophobicContact CG-SD 3.71Å; F157-M159 HydrophobicContact CB-SD 4.41Å; F157-M159 PolarHBondContact O-N 3.34Å; M159-S161 VanDerWaalsContact C-N 3.33Å; M159-S161 PolarHBondContact O-N 3Å; M159-L162 PolarHBondContact O-N 3.17Å; M159-N163 VanDerWaalsContact O-CB 3.27Å; M159-N163 WeakPolarHBondContact O-CB 3.31Å; M159-N163 PolarHBondContact O-N 3.41Å; M159-N163 PolarHBondContact O-ND2 3.35Å; M159-N163 PolarHBondContact O-OD1 3.39Å; M159-L166 HydrophobicContact CE-CD1 3.5Å
160T94.7Very high96.8Very high113 Ų11328.2 Ų28.269%0.69317%0.167SC*.Hα-helixtrans-58.7-43.1-178.7-52.30000112.4E158E158-T160 VanDerWaalsContact C-N 3.32Å; E158-T160 PolarHBondContact O-N 3.43Å
161S91.7Very high96.8Very high64 Ų6430.7 Ų30.745%0.44818%0.176SC..Hα-helixtrans-78.4-28.7178.156.50000112.6E158 M159E158-S161 PolarHBondContact O-OG 3.06Å; E158-S161 VanDerWaalsContact O-OG 3.1Å; M159-S161 VanDerWaalsContact C-N 3.33Å; M159-S161 PolarHBondContact O-N 3Å
162L96.3Very high96.8Very high3 Ų330.6 Ų30.62%0.01618%0.176CC..Hα-helixtrans-88.7-27.9-173.8-163.861.4000113.5S152 F157 M159 L165 L166 L252 L282S152-L162 WeakPolarHBondContact OG-CD2 3.41Å; F157-L162 HydrophobicContact CB-CD2 3.84Å; F157-L162 HydrophobicContact CD1-CD2 3.94Å; F157-L162 HydrophobicContact CD2-CD2 4.42Å; F157-L162 HydrophobicContact CG-CD2 3.83Å; M159-L162 PolarHBondContact O-N 3.17Å; L162-L165 HydrophobicContact CD1-CD1 4.29Å; L162-L165 HydrophobicContact CD1-CD2 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.48Å; L162-L165 VanDerWaalsContact O-N 3.11Å; L162-L166 HydrophobicContact CD2-CD1 4.06Å; L162-L166 HydrophobicContact CD2-CD2 4.46Å; L162-L166 HydrophobicContact CD2-CG 4.39Å; L162-L166 HydrophobicContact CG-CD1 3.98Å; L162-L166 HydrophobicContact CG-CD2 4.24Å; L162-L166 HydrophobicContact CG-CG 3.9Å; L162-L166 WeakPolarHBondContact O-CG 3.21Å; L162-L166 PolarHBondContact O-N 3.15Å; L162-L252 HydrophobicContact CD1-CD1 4.08Å; L162-L282 HydrophobicContact CD1-CD1 3.83Å; L162-L282 HydrophobicContact CD1-CD2 4.39Å
163N96.6Very high96.8Very high49 Ų4931 Ų3126%0.26218%0.178SC..Hα-helixtrans-52.5-46.4-175.2-80.7-19.2000114.1R113 M159 L165 L166 N167R113-N163 PolarHBondContact NH2-OD1 2.69Å; M159-N163 VanDerWaalsContact O-CB 3.27Å; M159-N163 WeakPolarHBondContact O-CB 3.31Å; M159-N163 PolarHBondContact O-N 3.41Å; M159-N163 PolarHBondContact O-ND2 3.35Å; M159-N163 PolarHBondContact O-OD1 3.39Å; N163-L165 VanDerWaalsContact C-N 3.28Å; N163-L165 PolarHBondContact O-N 3.1Å; N163-L166 PolarHBondContact O-N 3.42Å; N163-L166 VanDerWaalsContact O-N 3.14Å; N163-N167 VanDerWaalsContact O-CG 3.23Å; N163-N167 PolarHBondContact O-N 3.09Å; N163-N167 PolarHBondContact O-OD1 3.39Å
164P97.1Very high96.8Very high66 Ų6630.1 Ų30.143%0.42917%0.173SC..Hα-helixtrans-58.1-40.5178.9-25.435.3000113H168P164-H168 PolarHBondContact O-CD2 3.22Å; P164-H168 VanDerWaalsContact O-CD2 3.3Å; P164-H168 PolarHBondContact O-N 3.15Å
165L97.9Very high96.8Very high2 Ų230 Ų301%0.0117%0.173CC..Hα-helixtrans-66.4-44.4176.2173.8163.6000111.1L162 N163 N167 H168 F169 V245 L248 L252 L282 L286L162-L165 HydrophobicContact CD1-CD1 4.29Å; L162-L165 HydrophobicContact CD1-CD2 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.48Å; L162-L165 VanDerWaalsContact O-N 3.11Å; N163-L165 VanDerWaalsContact C-N 3.28Å; N163-L165 PolarHBondContact O-N 3.1Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.23Å; L165-H168 PolarHBondContact O-N 3.35Å; L165-F169 WeakPolarHBondContact O-CB 3.38Å; L165-F169 PolarHBondContact O-N 3.37Å; L165-V245 HydrophobicContact CD2-CG1 4.36Å; L165-V245 HydrophobicContact CG-CG1 4.26Å; L165-L248 HydrophobicContact CB-CB 4.06Å; L165-L248 HydrophobicContact CB-CD1 4.15Å; L165-L248 HydrophobicContact CD1-CB 4.16Å; L165-L248 HydrophobicContact CG-CB 4.33Å; L165-L252 HydrophobicContact CD1-CD1 3.74Å; L165-L282 HydrophobicContact CD1-CD2 4.5Å; L165-L286 HydrophobicContact CD2-CD2 3.96Å
166L97.9Very high96.9Very high4 Ų428.9 Ų28.92%0.02117%0.168CC..Hα-helixtrans-66.3-34.5179.5-61.6-178.5000112.8V145 H148 M159 L162 N163 F169 G170V145-L166 HydrophobicContact CG1-CB 4.16Å; H148-L166 HydrophobicContact CB-CD2 3.92Å; M159-L166 HydrophobicContact CE-CD1 3.5Å; L162-L166 HydrophobicContact CD2-CD1 4.06Å; L162-L166 HydrophobicContact CD2-CD2 4.46Å; L162-L166 HydrophobicContact CD2-CG 4.39Å; L162-L166 HydrophobicContact CG-CD1 3.98Å; L162-L166 HydrophobicContact CG-CD2 4.24Å; L162-L166 HydrophobicContact CG-CG 3.9Å; L162-L166 WeakPolarHBondContact O-CG 3.21Å; L162-L166 PolarHBondContact O-N 3.15Å; N163-L166 PolarHBondContact O-N 3.42Å; N163-L166 VanDerWaalsContact O-N 3.14Å; L166-F169 WeakPolarHBondContact O-CB 3.33Å; L166-F169 PolarHBondContact O-N 3.28Å; L166-G170 PolarHBondContact O-N 2.86Å
167N97.7Very high96.9Very high52 Ų5228.4 Ų28.428%0.27816%0.156SC..Hα-helixtrans-62.4-50.7175-68.5-4.1000110.8V145 N163 L165 F169 G170 R171V145-N167 WeakPolarHBondContact CG1-OD1 3.38Å; N163-N167 VanDerWaalsContact O-CG 3.23Å; N163-N167 PolarHBondContact O-N 3.09Å; N163-N167 PolarHBondContact O-OD1 3.39Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.23Å; N167-F169 PolarHBondContact O-N 3.5Å; N167-G170 PolarHBondContact O-N 3.01Å; N167-R171 VanDerWaalsContact O-CG 3.27Å; N167-R171 WeakPolarHBondContact O-CG 3Å; N167-R171 PolarHBondContact O-N 3.39Å
168H98.3Very high96.8Very high28 Ų2828 Ų2813%0.1315%0.154CC..Hα-helixtrans-58.9-38.4173.4-78.2-75.8000111.5P164 L165 R171 A172 H241 R244 V245P164-H168 PolarHBondContact O-CD2 3.22Å; P164-H168 VanDerWaalsContact O-CD2 3.3Å; P164-H168 PolarHBondContact O-N 3.15Å; L165-H168 PolarHBondContact O-N 3.35Å; H168-R171 PolarHBondContact O-N 3.01Å; H168-A172 WeakPolarHBondContact O-CB 3.46Å; H168-A172 PolarHBondContact O-N 2.88Å; H168-H241 HydrophobicContact CB-CB 4.48Å; H168-H241 AromaticContact CE1-ND1 3.73Å; H168-H241 AromaticContact CG-ND1 3.82Å; H168-H241 AromaticContact ND1-CE1 3.76Å; H168-H241 AromaticContact ND1-CG 3.83Å; H168-H241 AromaticContact ND1-ND1 2.9Å; H168-H241 PolarHBondContact ND1-ND1 3.31Å; H168-H241 WeakPolarHBondContact O-CB 3.29Å; H168-R244 HydrophobicContact CB-CB 4.2Å; H168-R244 WeakPolarHBondContact ND1-CB 3.46Å; H168-V245 HydrophobicContact CB-CG2 3.73Å
169F98.2Very high96.9Very high2 Ų224.3 Ų24.31%0.00914%0.137CC..Hα-helixtrans-65.3-45.8178.6-174.1-153.7000112.9H148 L165 L166 N167 R171 A172 Q173 V245 L286 P288 L289 I292H148-F169 HydrophobicContact CB-CD1 4.34Å; H148-F169 AromaticContact CD2-CD1 3.57Å; H148-F169 AromaticContact CD2-CE1 3.87Å; H148-F169 AromaticContact CE1-CD1 3.82Å; H148-F169 AromaticContact CE1-CE1 3.28Å; H148-F169 WeakPolarHBondContact CE1-CE1 3.45Å; H148-F169 AromaticContact CE1-CZ 3.7Å; H148-F169 AromaticContact CG-CD1 3.69Å; H148-F169 AromaticContact CG-CE1 3.76Å; H148-F169 AromaticContact ND1-CD1 3.87Å; H148-F169 AromaticContact ND1-CE1 3.42Å; H148-F169 WeakPolarHBondContact ND1-CE1 3.49Å; H148-F169 AromaticContact NE2-CD1 3.65Å; H148-F169 AromaticContact NE2-CE1 3.57Å; H148-F169 AromaticContact NE2-CZ 4Å; L165-F169 WeakPolarHBondContact O-CB 3.38Å; L165-F169 PolarHBondContact O-N 3.37Å; L166-F169 WeakPolarHBondContact O-CB 3.33Å; L166-F169 PolarHBondContact O-N 3.28Å; N167-F169 PolarHBondContact O-N 3.5Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 3.41Å; F169-A172 PolarHBondContact O-N 3.48Å; F169-Q173 WeakPolarHBondContact O-CB 3.41Å; F169-Q173 PolarHBondContact O-N 3.13Å; F169-V245 HydrophobicContact CB-CG1 4.49Å; F169-V245 HydrophobicContact CB-CG2 3.78Å; F169-V245 VanDerWaalsContact N-CG2 3.32Å; F169-L286 HydrophobicContact CD1-CD2 3.81Å; F169-L286 HydrophobicContact CE1-CD2 3.89Å; F169-L286 HydrophobicContact CG-CD2 4.28Å; F169-L286 HydrophobicContact CZ-CD2 4.43Å; F169-P288 HydrophobicContact CE2-CB 4.42Å; F169-P288 HydrophobicContact CZ-CB 3.86Å; F169-P288 HydrophobicContact CZ-CG 4.11Å; F169-L289 HydrophobicContact CD2-CD1 4.1Å; F169-L289 HydrophobicContact CE2-CB 3.95Å; F169-L289 HydrophobicContact CE2-CD1 4.19Å; F169-I292 HydrophobicContact CE2-CD1 4.04Å
170G98.1Very high96.9Very high0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-60.9-40.6175.700000112.5L166 N167 Q173 G174L166-G170 PolarHBondContact O-N 2.86Å; N167-G170 PolarHBondContact O-N 3.01Å; G170-Q173 PolarHBondContact O-N 2.99Å; G170-G174 PolarHBondContact O-N 3.08Å
171R98.2Very high96.8Very high52 Ų5222.7 Ų22.720%0.19612%0.122CC..Hα-helixtrans-69-43.2177.4-66.9171.2-168.1-171.47.4112.8E137 F140 D141 N167 H168 F169 Q173 G174 M175 H241E137-R171 HydrophobicContact CB-CG 4.23Å; E137-R171 HydrophobicContact CG-CG 4.15Å; E137-R171 IonicContact OE2-CZ 3.41Å; E137-R171 IonicContact OE2-NE 3.63Å; E137-R171 IonicContact OE2-NH1 2.75Å; E137-R171 PolarHBondContact OE2-NH1 3.26Å; F140-R171 HydrophobicContact CB-CG 4.39Å; D141-R171 IonicContact OD1-CZ 3.6Å; D141-R171 IonicContact OD1-NE 2.78Å; D141-R171 PolarHBondContact OD1-NE 3.37Å; D141-R171 IonicContact OD1-NH2 3.79Å; D141-R171 IonicContact OD2-CZ 3.07Å; D141-R171 IonicContact OD2-NE 3.72Å; D141-R171 PolarHBondContact OD2-NE 2.87Å; D141-R171 IonicContact OD2-NH2 3.05Å; D141-R171 PolarHBondContact OD2-NH2 3.1Å; N167-R171 VanDerWaalsContact O-CG 3.27Å; N167-R171 WeakPolarHBondContact O-CG 3Å; N167-R171 PolarHBondContact O-N 3.39Å; H168-R171 PolarHBondContact O-N 3.01Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 3.41Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 2.94Å; R171-G174 PolarHBondContact O-N 3.1Å; R171-M175 VanDerWaalsContact O-CG 3.27Å; R171-M175 WeakPolarHBondContact O-CG 3.43Å; R171-M175 PolarHBondContact O-N 3.41Å; R171-H241 HydrophobicContact CB-CB 4.37Å; R171-H241 WeakPolarHBondContact CD-CE1 3.35Å
172A97.9Very high97Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-58.4-45.3173.600000111.2H168 F169 A176 H241 A242 I292H168-A172 WeakPolarHBondContact O-CB 3.46Å; H168-A172 PolarHBondContact O-N 2.88Å; F169-A172 PolarHBondContact O-N 3.48Å; A172-A176 WeakPolarHBondContact O-CB 3.4Å; A172-A176 PolarHBondContact O-N 2.88Å; A172-H241 HydrophobicContact CB-CB 3.81Å; A172-A242 HydrophobicContact CB-CB 4.18Å; A172-I292 HydrophobicContact CB-CG2 4.43Å
173Q97.7Very high97Very high11 Ų1120.8 Ų20.85%0.05111%0.108CC..Hα-helixtrans-62.5-42.8175.5-178.5173.3-16.500112.2Y144 H148 F169 G170 R171 N177 I292Y144-Q173 HydrophobicContact CD1-CG 4.07Å; Y144-Q173 HydrophobicContact CE1-CG 4.41Å; Y144-Q173 HydrophobicContact CG-CG 4.42Å; H148-Q173 PolarHBondContact CE1-OE1 3.37Å; H148-Q173 PolarHBondContact NE2-OE1 2.8Å; F169-Q173 WeakPolarHBondContact O-CB 3.41Å; F169-Q173 PolarHBondContact O-N 3.13Å; G170-Q173 PolarHBondContact O-N 2.99Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 2.94Å; Q173-N177 VanDerWaalsContact O-CB 3.3Å; Q173-N177 WeakPolarHBondContact O-CB 3.24Å; Q173-N177 PolarHBondContact O-N 3.2Å; Q173-N177 PolarHBondContact O-ND2 3.07Å; Q173-I292 HydrophobicContact CB-CD1 3.64Å; Q173-I292 HydrophobicContact CG-CD1 4.04Å
174G97.1Very high96.8Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-63.1-47178.200000113G170 R171 A176 N177 M178G170-G174 PolarHBondContact O-N 3.08Å; R171-G174 PolarHBondContact O-N 3.1Å; G174-A176 PolarHBondContact O-N 3.15Å; G174-N177 PolarHBondContact O-N 3.37Å; G174-M178 WeakPolarHBondContact O-CB 3.43Å; G174-M178 PolarHBondContact O-N 2.9Å
175M97.4Very high96.6Very high1 Ų121.9 Ų21.91%0.00511%0.109CC..Hα-helixtrans-59.8-48175.8-67.4-67.717400111.4E137 F140 R171 N177 M178 L179 I234 L237E137-M175 HydrophobicContact CG-CE 3.8Å; F140-M175 HydrophobicContact CD2-CE 4.3Å; F140-M175 HydrophobicContact CE2-CE 3.79Å; F140-M175 HydrophobicContact CE2-CG 4.04Å; F140-M175 HydrophobicContact CE2-SD 3.8Å; R171-M175 VanDerWaalsContact O-CG 3.27Å; R171-M175 WeakPolarHBondContact O-CG 3.43Å; R171-M175 PolarHBondContact O-N 3.41Å; M175-N177 VanDerWaalsContact C-N 3.32Å; M175-N177 PolarHBondContact O-N 2.93Å; M175-M178 PolarHBondContact O-N 3.46Å; M175-M178 HydrophobicContact SD-CE 3.82Å; M175-L179 WeakPolarHBondContact O-CG 3.33Å; M175-L179 PolarHBondContact O-N 3.47Å; M175-I234 HydrophobicContact SD-CG2 4.22Å; M175-L237 HydrophobicContact CE-CD2 3.33Å; M175-L237 HydrophobicContact CE-CG 3.84Å; M175-L237 HydrophobicContact SD-CD2 4.23Å; M175-L237 HydrophobicContact SD-CG 4.48Å
176A97.2Very high96.5Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-63.5-36.1176.700000112.6A172 G174 R180 I292 Y295 L296A172-A176 WeakPolarHBondContact O-CB 3.4Å; A172-A176 PolarHBondContact O-N 2.88Å; G174-A176 PolarHBondContact O-N 3.15Å; A176-R180 WeakPolarHBondContact O-CB 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.43Å; A176-R180 PolarHBondContact O-NE 3.35Å; A176-I292 HydrophobicContact CB-CG2 3.99Å; A176-Y295 HydrophobicContact CB-CD1 4.06Å; A176-L296 HydrophobicContact CB-CD2 4.43Å
177N95.8Very high96.3Very high33 Ų3326.4 Ų26.418%0.17613%0.13CC..Hα-helixtrans-66.6-43.4174.5-86.7-34.3000112.3Y144 Q173 G174 M175 L179 R180 S181Y144-N177 WeakPolarHBondContact CE1-ND2 3.44Å; Y144-N177 WeakPolarHBondContact OH-CB 3.47Å; Y144-N177 PolarHBondContact OH-ND2 3.24Å; Q173-N177 VanDerWaalsContact O-CB 3.3Å; Q173-N177 WeakPolarHBondContact O-CB 3.24Å; Q173-N177 PolarHBondContact O-N 3.2Å; Q173-N177 PolarHBondContact O-ND2 3.07Å; G174-N177 PolarHBondContact O-N 3.37Å; M175-N177 VanDerWaalsContact C-N 3.32Å; M175-N177 PolarHBondContact O-N 2.93Å; N177-L179 VanDerWaalsContact C-N 3.35Å; N177-L179 PolarHBondContact O-N 2.97Å; N177-R180 PolarHBondContact O-N 3.11Å; N177-R180 PolarHBondContact OD1-NE 3.24Å; N177-R180 PolarHBondContact OD1-NH1 2.95Å; N177-R180 VanDerWaalsContact OD1-NH1 3.16Å; N177-R180 PolarHBondContact OD1-NH2 3.04Å; N177-S181 WeakPolarHBondContact O-CB 3.44Å; N177-S181 PolarHBondContact O-N 3.5Å; N177-S181 PolarHBondContact O-OG 3.17Å
178M96Very high96Very high4 Ų430.5 Ų30.52%0.0215%0.148CC..Hα-helixtrans-60-44.7177.4-175.9173.970.400111.5F130 F140 G174 M175 S181 S182 L193 F194 I234F130-M178 HydrophobicContact CD2-SD 4.46Å; F140-M178 HydrophobicContact CZ-CB 4.3Å; F140-M178 HydrophobicContact CZ-SD 4.09Å; G174-M178 WeakPolarHBondContact O-CB 3.43Å; G174-M178 PolarHBondContact O-N 2.9Å; M175-M178 PolarHBondContact O-N 3.46Å; M175-M178 HydrophobicContact SD-CE 3.82Å; M178-S181 PolarHBondContact O-OG 3.39Å; M178-S182 PolarHBondContact O-N 3.16Å; M178-L193 HydrophobicContact CG-CB 3.88Å; M178-L193 HydrophobicContact SD-CB 4.39Å; M178-F194 HydrophobicContact CE-CD1 4.34Å; M178-F194 HydrophobicContact CG-CD1 3.93Å; M178-F194 HydrophobicContact CG-CE1 4.14Å; M178-F194 HydrophobicContact SD-CD1 4.24Å; M178-I234 HydrophobicContact CE-CD1 4.32Å; M178-I234 HydrophobicContact CE-CG2 3.34Å
179L97.2Very high95.6Very high0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-67.5-48.3177.3-69.7173.8000112.4M175 N177 S181 S182 F194 T231 I234 A235 Y295 L296 L299 L307 N310M175-L179 WeakPolarHBondContact O-CG 3.33Å; M175-L179 PolarHBondContact O-N 3.47Å; N177-L179 VanDerWaalsContact C-N 3.35Å; N177-L179 PolarHBondContact O-N 2.97Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.44Å; L179-S182 WeakPolarHBondContact O-CB 3.36Å; L179-S182 PolarHBondContact O-N 3.3Å; L179-S182 PolarHBondContact O-OG 3.14Å; L179-F194 HydrophobicContact CD2-CE1 4.01Å; L179-F194 HydrophobicContact CD2-CZ 3.84Å; L179-T231 HydrophobicContact CD2-CG2 4.04Å; L179-I234 HydrophobicContact CD1-CG2 4.05Å; L179-I234 HydrophobicContact CD2-CB 4.11Å; L179-I234 HydrophobicContact CD2-CG2 3.65Å; L179-I234 HydrophobicContact CG-CG2 3.84Å; L179-A235 HydrophobicContact CD1-CB 3.9Å; L179-Y295 HydrophobicContact CB-CE1 3.91Å; L179-L296 HydrophobicContact CD1-CD2 4.15Å; L179-L299 HydrophobicContact CB-CD1 4.26Å; L179-L299 HydrophobicContact CD1-CD1 3.76Å; L179-L307 HydrophobicContact CB-CD2 4.15Å; L179-L307 HydrophobicContact CD2-CD1 4.15Å; L179-L307 HydrophobicContact CD2-CD2 4.2Å; L179-N310 PolarHBondContact O-ND2 3.41Å
180R95.2Very high95.3Very high73 Ų7337.7 Ų37.728%0.27518%0.182SC..Hα-helixtrans-68.7-29.5-176.283.3-175.190.3160.26.7113.2E29 A176 N177 Y295 N310E29-R180 IonicContact OE2-NH1 3.58Å; E29-R180 PolarHBondContact OE2-NH1 3.49Å; A176-R180 WeakPolarHBondContact O-CB 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.43Å; A176-R180 PolarHBondContact O-NE 3.35Å; N177-R180 PolarHBondContact O-N 3.11Å; N177-R180 PolarHBondContact OD1-NE 3.24Å; N177-R180 PolarHBondContact OD1-NH1 2.95Å; N177-R180 VanDerWaalsContact OD1-NH1 3.16Å; N177-R180 PolarHBondContact OD1-NH2 3.04Å; R180-Y295 WeakPolarHBondContact CA-OH 3.35Å; R180-Y295 HydrophobicContact CB-CE1 3.9Å; R180-Y295 HydrophobicContact CB-CE2 3.94Å; R180-Y295 PolarHBondContact N-OH 3.43Å; R180-N310 PolarHBondContact O-ND2 3.07Å
181S93.7Very high95.1Very high33 Ų3339 Ų3923%0.23119%0.19CC..Hα-helixtrans-84-14-179.763.20000113.8N177 M178 L179 V183 L184 L185N177-S181 WeakPolarHBondContact O-CB 3.44Å; N177-S181 PolarHBondContact O-N 3.5Å; N177-S181 PolarHBondContact O-OG 3.17Å; M178-S181 PolarHBondContact O-OG 3.39Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.44Å; S181-V183 PolarHBondContact O-N 3.23Å; S181-L184 PolarHBondContact O-N 3.05Å; S181-L185 WeakPolarHBondContact O-CB 3.27Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.07Å
182S95.4Very high94.9Very high5 Ų537 Ų374%0.03518%0.183CC..Hα-helixtrans-53.3-51.6-170.960.20000114.3M178 L179 L185 A186M178-S182 PolarHBondContact O-N 3.16Å; L179-S182 WeakPolarHBondContact O-CB 3.36Å; L179-S182 PolarHBondContact O-N 3.3Å; L179-S182 PolarHBondContact O-OG 3.14Å; S182-L185 PolarHBondContact O-N 3.24Å; S182-A186 VanDerWaalsContact O-CB 3.27Å; S182-A186 WeakPolarHBondContact O-CB 3.34Å; S182-A186 PolarHBondContact O-N 3.08Å
183V95.8Very high94.7Very high22 Ų2238.2 Ų38.213%0.13319%0.19CC..Hα-helixtrans-62.4-48.1-178.4176.50000111.2S181 L185 A186 Q187 L213 L307S181-V183 PolarHBondContact O-N 3.23Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 3.35Å; V183-A186 PolarHBondContact O-N 2.93Å; V183-Q187 HydrophobicContact CG1-CG 4.33Å; V183-Q187 WeakPolarHBondContact O-CB 3.39Å; V183-Q187 VanDerWaalsContact O-CG 3.31Å; V183-Q187 WeakPolarHBondContact O-CG 3.49Å; V183-Q187 PolarHBondContact O-N 3.06Å; V183-L213 HydrophobicContact CG2-CD2 4.02Å; V183-L307 HydrophobicContact CG2-CB 4.27Å; V183-L307 WeakPolarHBondContact CG2-O 3.42Å
184L93.5Very high94.6Very high104 Ų10437.8 Ų37.855%0.54519%0.188SC..Hα-helixtrans-61.6-44.5-179.6-172.277.5000111.1S181 H188S181-L184 PolarHBondContact O-N 3.05Å; L184-H188 WeakPolarHBondContact CD1-CD2 3.48Å; L184-H188 WeakPolarHBondContact O-CB 3.49Å; L184-H188 PolarHBondContact O-CD2 3.34Å; L184-H188 VanDerWaalsContact O-CD2 3.27Å; L184-H188 PolarHBondContact O-N 2.85Å
185L92.9Very high94.6Very high34 Ų3437.8 Ų37.818%0.17819%0.188CC..Hα-helixtrans-67.5-39.6178.3-69.4175.4000112.2S181 S182 V183 K189 N190 V191 L193S181-L185 WeakPolarHBondContact O-CB 3.27Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.07Å; S182-L185 PolarHBondContact O-N 3.24Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 3.35Å; L185-K189 HydrophobicContact CD2-CD 4.1Å; L185-K189 CarbonylContact O-C 3.59Å; L185-K189 WeakPolarHBondContact O-CA 3.45Å; L185-K189 WeakPolarHBondContact O-CB 3.41Å; L185-K189 PolarHBondContact O-N 2.89Å; L185-N190 PolarHBondContact O-N 3.2Å; L185-V191 CarbonylContact C-O 3.56Å; L185-V191 HydrophobicContact CB-CB 4.33Å; L185-V191 HydrophobicContact CB-CG1 4.26Å; L185-V191 HydrophobicContact CD1-CG1 4.43Å; L185-V191 PolarHBondContact O-N 3.4Å; L185-L193 HydrophobicContact CD1-CD1 3.49Å; L185-L193 VanDerWaalsContact CD1-CD1 3.49Å; L185-L193 HydrophobicContact CD1-CG 3.89Å
186A94.7Very high94.5Very high1 Ų139.3 Ų39.31%0.00820%0.196CC..Hα-helixtrans-65.1-44.7176.700000111.7S182 V183 N190 L210 L213 R214S182-A186 VanDerWaalsContact O-CB 3.27Å; S182-A186 WeakPolarHBondContact O-CB 3.34Å; S182-A186 PolarHBondContact O-N 3.08Å; V183-A186 PolarHBondContact O-N 2.93Å; A186-N190 WeakPolarHBondContact O-CA 3.33Å; A186-N190 PolarHBondContact O-N 3.2Å; A186-L210 HydrophobicContact CB-CD2 3.79Å; A186-L213 HydrophobicContact CB-CB 3.59Å; A186-L213 HydrophobicContact CB-CD1 3.97Å; A186-L213 HydrophobicContact CB-CG 4.46Å; A186-R214 HydrophobicContact CB-CG 4.27Å
187Q94.1Very high94.4Very high99 Ų9941.6 Ų41.646%0.46321%0.208SC..Hα-helixtrans-72-43.3-177.3-72175.6-14.800113.2V183 R214V183-Q187 HydrophobicContact CG1-CG 4.33Å; V183-Q187 WeakPolarHBondContact O-CB 3.39Å; V183-Q187 VanDerWaalsContact O-CG 3.31Å; V183-Q187 WeakPolarHBondContact O-CG 3.49Å; V183-Q187 PolarHBondContact O-N 3.06Å; Q187-R214 HydrophobicContact CG-CG 4.26Å
188H91.9Very high94.4Very high139 Ų13940.4 Ų40.464%0.64420%0.202SC*.Hα-helixtrans-96.2-24.7-173.3-65-68.6000114.5L184L184-H188 WeakPolarHBondContact CD1-CD2 3.48Å; L184-H188 WeakPolarHBondContact O-CB 3.49Å; L184-H188 PolarHBondContact O-CD2 3.34Å; L184-H188 VanDerWaalsContact O-CD2 3.27Å; L184-H188 PolarHBondContact O-N 2.85Å
189K89.5Confident94.5Very high98 Ų9840.2 Ų40.243%0.42620%0.201SC..Hα-helixtrans-125-6.5-174.1-60.6-168.5176.2-170.70114.1D60 L185 V191D60-K189 WeakPolarHBondContact OD1-CE 3.5Å; D60-K189 IonicContact OD1-NZ 2.59Å; D60-K189 PolarHBondContact OD1-NZ 3.02Å; L185-K189 HydrophobicContact CD2-CD 4.1Å; L185-K189 CarbonylContact O-C 3.59Å; L185-K189 WeakPolarHBondContact O-CA 3.45Å; L185-K189 WeakPolarHBondContact O-CB 3.41Å; L185-K189 PolarHBondContact O-N 2.89Å; K189-V191 HydrophobicContact CB-CB 4.15Å; K189-V191 HydrophobicContact CB-CG2 3.91Å; K189-V191 PolarHBondContact O-N 3.22Å
190N92.8Very high94.4Very high82 Ų8245 Ų4544%0.43923%0.227SC..  trans53.442.3-172.6-162.152.1000112.5L185 A186 R214L185-N190 PolarHBondContact O-N 3.2Å; A186-N190 WeakPolarHBondContact O-CA 3.33Å; A186-N190 PolarHBondContact O-N 3.2Å; N190-R214 PolarHBondContact OD1-NH1 3.05Å
191V92.2Very high94.4Very high28 Ų2847.8 Ų47.817%0.1724%0.243CC..  trans-116.9133.6-173.5156.80000111.1V128 L185 K189 L193V128-V191 HydrophobicContact CG1-CB 3.89Å; V128-V191 HydrophobicContact CG1-CG1 3.19Å; V128-V191 HydrophobicContact CG1-CG2 3.42Å; V128-V191 VanDerWaalsContact CG1-CG2 3.42Å; L185-V191 CarbonylContact C-O 3.56Å; L185-V191 HydrophobicContact CB-CB 4.33Å; L185-V191 HydrophobicContact CB-CG1 4.26Å; L185-V191 HydrophobicContact CD1-CG1 4.43Å; L185-V191 PolarHBondContact O-N 3.4Å; K189-V191 HydrophobicContact CB-CB 4.15Å; K189-V191 HydrophobicContact CB-CG2 3.91Å; K189-V191 PolarHBondContact O-N 3.22Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-L193 HydrophobicContact CG1-CG 4.23Å
192L93.9Very high94.5Very high10 Ų1047.5 Ų47.55%0.05224%0.238CC..  trans-120.7117.6172.5-177.568000110.2F194 V199 Q206 V209 L210 L213L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 HydrophobicContact CD1-CB 4.12Å; L192-F194 HydrophobicContact CD1-CD1 4.12Å; L192-F194 HydrophobicContact CD1-CD2 3.84Å; L192-F194 HydrophobicContact CD1-CE2 4.27Å; L192-F194 HydrophobicContact CD1-CG 3.75Å; L192-F194 HydrophobicContact CD2-CB 4.29Å; L192-F194 HydrophobicContact CG-CB 4.02Å; L192-F194 HydrophobicContact CG-CG 4.22Å; L192-V199 HydrophobicContact CD2-CG2 4.42Å; L192-Q206 HydrophobicContact CD2-CB 4.17Å; L192-Q206 HydrophobicContact CD2-CG 4.28Å; L192-V209 HydrophobicContact CD1-CB 4.39Å; L192-V209 HydrophobicContact CD1-CG1 3.66Å; L192-V209 HydrophobicContact CD2-CB 3.78Å; L192-V209 HydrophobicContact CD2-CG1 3.92Å; L192-V209 HydrophobicContact CD2-CG2 4.3Å; L192-V209 HydrophobicContact CG-CG1 4.46Å; L192-L210 HydrophobicContact CB-CD2 3.92Å; L192-L210 HydrophobicContact CB-CG 4.11Å; L192-L213 HydrophobicContact CD1-CD1 3.94Å
193L93.9Very high94.5Very high26 Ų2654.5 Ų54.514%0.13628%0.275CS..  trans-87.52.9179.2-63.7-177.7000113.5V128 F130 M178 L185 V191V128-L193 HydrophobicContact CG1-CD2 4.29Å; V128-L193 WeakPolarHBondContact O-CD2 3.42Å; F130-L193 WeakPolarHBondContact CD2-O 3.43Å; F130-L193 HydrophobicContact CE2-CB 4.4Å; M178-L193 HydrophobicContact CG-CB 3.88Å; M178-L193 HydrophobicContact SD-CB 4.39Å; L185-L193 HydrophobicContact CD1-CD1 3.49Å; L185-L193 VanDerWaalsContact CD1-CD1 3.49Å; L185-L193 HydrophobicContact CD1-CG 3.89Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-L193 HydrophobicContact CG1-CG 4.23Å
194F96.1Very high94.5Very high1 Ų154 Ų540%0.00427%0.271CS..SBendtrans-70.5143.1-174.6-69.80.4000112.1M178 L179 L192 L196 V199 V209 L230 I234 L307M178-F194 HydrophobicContact CE-CD1 4.34Å; M178-F194 HydrophobicContact CG-CD1 3.93Å; M178-F194 HydrophobicContact CG-CE1 4.14Å; M178-F194 HydrophobicContact SD-CD1 4.24Å; L179-F194 HydrophobicContact CD2-CE1 4.01Å; L179-F194 HydrophobicContact CD2-CZ 3.84Å; L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 HydrophobicContact CD1-CB 4.12Å; L192-F194 HydrophobicContact CD1-CD1 4.12Å; L192-F194 HydrophobicContact CD1-CD2 3.84Å; L192-F194 HydrophobicContact CD1-CE2 4.27Å; L192-F194 HydrophobicContact CD1-CG 3.75Å; L192-F194 HydrophobicContact CD2-CB 4.29Å; L192-F194 HydrophobicContact CG-CB 4.02Å; L192-F194 HydrophobicContact CG-CG 4.22Å; F194-L196 PolarHBondContact O-N 3.48Å; F194-V199 HydrophobicContact CB-CG2 3.97Å; F194-V209 HydrophobicContact CD2-CG1 4.23Å; F194-V209 HydrophobicContact CE2-CG1 4.24Å; F194-L230 HydrophobicContact CD2-CD2 4.06Å; F194-L230 HydrophobicContact CD2-CG 4.26Å; F194-I234 HydrophobicContact CB-CD1 4.04Å; F194-I234 HydrophobicContact CD1-CD1 3.91Å; F194-I234 HydrophobicContact CD2-CD1 3.63Å; F194-I234 HydrophobicContact CE1-CD1 4.25Å; F194-I234 HydrophobicContact CE2-CD1 3.99Å; F194-I234 HydrophobicContact CG-CD1 3.59Å; F194-I234 HydrophobicContact CZ-CD1 4.28Å; F194-L307 HydrophobicContact CE2-CD1 4.11Å; F194-L307 HydrophobicContact CZ-CD1 3.5Å
195P96.5Very high94.6Very high1 Ų152.3 Ų52.31%0.00627%0.265CS..BIsolated β-bridgetrans-55.4126.3171.7-28.537.7000112.7F130 C133 A136 D197 V198 V199F130-P195 CarbonylContact O-C 3.57Å; F130-P195 WeakPolarHBondContact O-CA 3.29Å; C133-P195 HydrophobicContact CB-CG 4.48Å; A136-P195 HydrophobicContact CB-CG 4.1Å; P195-D197 VanDerWaalsContact C-N 3.34Å; P195-D197 WeakPolarHBondContact CB-OD1 3.46Å; P195-D197 PolarHBondContact O-N 3.35Å; P195-V198 HydrophobicContact CB-CG2 4.06Å; P195-V198 PolarHBondContact O-N 3.49Å; P195-V199 WeakPolarHBondContact O-CG2 3.45Å; P195-V199 PolarHBondContact O-N 3.28Å; P195-V199 VanDerWaalsContact O-N 3.1Å
196L96.1Very high94.7Very high33 Ų3354.4 Ų54.417%0.17327%0.274CS..Hα-helixtrans-69.5-31.8-173.8-56.9-171.6000113F129 F130 F194 V198 V199 N200 Q206F129-L196 HydrophobicContact CD2-CD1 3.84Å; F129-L196 HydrophobicContact CE2-CD1 4.46Å; F129-L196 HydrophobicContact CG-CD1 4.42Å; F130-L196 WeakPolarHBondContact O-CG 3.33Å; F130-L196 PolarHBondContact O-N 2.85Å; F194-L196 PolarHBondContact O-N 3.48Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 2.8Å; L196-V199 PolarHBondContact O-N 3.31Å; L196-N200 VanDerWaalsContact O-CB 3.28Å; L196-N200 WeakPolarHBondContact O-CB 3.11Å; L196-N200 PolarHBondContact O-N 3.48Å; L196-N200 PolarHBondContact O-ND2 3.4Å; L196-N200 VanDerWaalsContact O-ND2 3.16Å; L196-Q206 HydrophobicContact CD2-CG 3.74Å
197D95.5Very high94.7Very high47 Ų4757.4 Ų57.425%0.25129%0.288SS..Hα-helixtrans-56.2-45.6171.159.8-16.8000112.1P131 T132 C133 P195 N200 Q201P131-D197 PolarHBondContact O-N 2.84Å; T132-D197 VanDerWaalsContact CA-CG 3.41Å; T132-D197 WeakPolarHBondContact CA-OD1 3.2Å; T132-D197 VanDerWaalsContact CA-OD2 3.24Å; T132-D197 WeakPolarHBondContact CA-OD2 3.5Å; T132-D197 VanDerWaalsContact CB-OD2 3.29Å; T132-D197 WeakPolarHBondContact CB-OD2 3.27Å; T132-D197 HydrophobicContact CG2-CB 4.4Å; C133-D197 PolarHBondContact N-OD1 2.84Å; C133-D197 PolarHBondContact N-OD2 3.19Å; P195-D197 VanDerWaalsContact C-N 3.34Å; P195-D197 WeakPolarHBondContact CB-OD1 3.46Å; P195-D197 PolarHBondContact O-N 3.35Å; D197-N200 PolarHBondContact O-N 3.27Å; D197-Q201 WeakPolarHBondContact O-CG 3.37Å; D197-Q201 PolarHBondContact O-N 3.09Å
198V96.1Very high94.7Very high8 Ų856.5 Ų56.55%0.04828%0.284CS..Hα-helixtrans-70.7-40.8178.1-166.40000111C133 P195 L196 N200 Q201 H202 L230 D233C133-V198 WeakPolarHBondContact SG-CG2 3.24Å; P195-V198 HydrophobicContact CB-CG2 4.06Å; P195-V198 PolarHBondContact O-N 3.49Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 2.8Å; V198-N200 VanDerWaalsContact C-N 3.28Å; V198-N200 PolarHBondContact O-N 2.86Å; V198-Q201 WeakPolarHBondContact O-CB 3.44Å; V198-Q201 PolarHBondContact O-N 3.01Å; V198-H202 PolarHBondContact O-CD2 3.29Å; V198-H202 VanDerWaalsContact O-CD2 3.28Å; V198-H202 PolarHBondContact O-N 2.67Å; V198-L230 HydrophobicContact CB-CD1 3.88Å; V198-L230 HydrophobicContact CG1-CD1 3.4Å; V198-D233 HydrophobicContact CG1-CB 4.28Å
199V97Very high94.9Very high0 Ų049.9 Ų49.90%025%0.253CS..Hα-helixtrans-56-46.6174.1175.40000110.4L192 F194 P195 L196 H202 L204 V209 L230L192-V199 HydrophobicContact CD2-CG2 4.42Å; F194-V199 HydrophobicContact CB-CG2 3.97Å; P195-V199 WeakPolarHBondContact O-CG2 3.45Å; P195-V199 PolarHBondContact O-N 3.28Å; P195-V199 VanDerWaalsContact O-N 3.1Å; L196-V199 PolarHBondContact O-N 3.31Å; V199-H202 PolarHBondContact O-N 3.18Å; V199-L204 HydrophobicContact CG1-CB 3.93Å; V199-L204 PolarHBondContact O-N 2.9Å; V199-V209 HydrophobicContact CG1-CG2 4.39Å; V199-L230 HydrophobicContact CG2-CD1 4.3Å; V199-L230 HydrophobicContact CG2-CD2 4.04Å
200N95.6Very high95.2Very high101 Ų10145.6 Ų45.654%0.5424%0.235SC..Hα-helixtrans-68.6-34.5-179.9-66.9-20.1000112.6L196 D197 V198 H202 N203L196-N200 VanDerWaalsContact O-CB 3.28Å; L196-N200 WeakPolarHBondContact O-CB 3.11Å; L196-N200 PolarHBondContact O-N 3.48Å; L196-N200 PolarHBondContact O-ND2 3.4Å; L196-N200 VanDerWaalsContact O-ND2 3.16Å; D197-N200 PolarHBondContact O-N 3.27Å; V198-N200 VanDerWaalsContact C-N 3.28Å; V198-N200 PolarHBondContact O-N 2.86Å; N200-H202 PolarHBondContact O-N 3.23Å; N200-N203 WeakPolarHBondContact O-CA 3.34Å; N200-N203 PolarHBondContact O-N 3.49Å
201Q96.3Very high95.3Very high132 Ų13248.4 Ų48.462%0.61724%0.239SC*.Hα-helixtrans-59.1-28.3175.1-78.41669.200113D197 V198 N203D197-Q201 WeakPolarHBondContact O-CG 3.37Å; D197-Q201 PolarHBondContact O-N 3.09Å; V198-Q201 WeakPolarHBondContact O-CB 3.44Å; V198-Q201 PolarHBondContact O-N 3.01Å; Q201-N203 VanDerWaalsContact C-N 3.33Å
202H95.8Very high95.4Very high26 Ų2647.3 Ų47.312%0.1223%0.232CC..THydrogen-bonded Turntrans-91.711.3174.7-69.6-75.2000113.5V198 V199 N200 L204 D233V198-H202 PolarHBondContact O-CD2 3.29Å; V198-H202 VanDerWaalsContact O-CD2 3.28Å; V198-H202 PolarHBondContact O-N 2.67Å; V199-H202 PolarHBondContact O-N 3.18Å; N200-H202 PolarHBondContact O-N 3.23Å; H202-L204 HydrophobicContact CB-CD1 3.87Å; H202-L204 HydrophobicContact CB-CG 4.13Å; H202-L204 PolarHBondContact O-N 3.38Å; H202-D233 IonicContact CD2-OD2 3.09Å; H202-D233 IonicContact CE1-OD2 2.74Å; H202-D233 PolarHBondContact CE1-OD2 3.32Å; H202-D233 IonicContact NE2-OD2 3.21Å; H202-D233 PolarHBondContact NE2-OD2 2.99Å
203N95.2Very high95.5Very high153 Ų15346.9 Ų46.982%0.81823%0.23SC*.THydrogen-bonded Turntrans55.632.6-175.2-56.9-58.3000113.2N200 Q201N200-N203 WeakPolarHBondContact O-CA 3.34Å; N200-N203 PolarHBondContact O-N 3.49Å; Q201-N203 VanDerWaalsContact C-N 3.33Å
204L95.7Very high95.6Very high12 Ų1250 Ų506%0.06324%0.24CC..  trans-101.4161.6178.6-66.5168.2000110.7V199 H202 H208 V209 P226 I227 L230V199-L204 HydrophobicContact CG1-CB 3.93Å; V199-L204 PolarHBondContact O-N 2.9Å; H202-L204 HydrophobicContact CB-CD1 3.87Å; H202-L204 HydrophobicContact CB-CG 4.13Å; H202-L204 PolarHBondContact O-N 3.38Å; L204-H208 HydrophobicContact CD2-CB 4.05Å; L204-V209 HydrophobicContact CB-CG2 4.43Å; L204-V209 HydrophobicContact CD1-CG2 4.23Å; L204-P226 HydrophobicContact CD1-CB 4.06Å; L204-P226 HydrophobicContact CD2-CB 4.13Å; L204-P226 HydrophobicContact CG-CB 4.21Å; L204-I227 HydrophobicContact CD1-CB 4.41Å; L204-I227 HydrophobicContact CD1-CG1 3.65Å; L204-I227 HydrophobicContact CD2-CG1 4.02Å; L204-I227 HydrophobicContact CG-CG1 4.5Å; L204-L230 HydrophobicContact CD1-CB 4.39Å; L204-L230 HydrophobicContact CD1-CD2 3.89Å
205T94.6Very high95.4Very high68 Ų6854 Ų5442%0.41726%0.261SS..  trans-108.5161.716667.20000108.1E207 H208 V209T205-E207 PolarHBondContact O-N 3.36Å; T205-H208 PolarHBondContact N-ND1 3.42Å; T205-H208 WeakPolarHBondContact O-CB 3.35Å; T205-H208 PolarHBondContact O-N 3.46Å; T205-H208 VanDerWaalsContact O-N 3.16Å; T205-H208 PolarHBondContact OG1-N 3.39Å; T205-H208 PolarHBondContact OG1-ND1 3.04Å; T205-H208 VanDerWaalsContact OG1-ND1 3.08Å; T205-V209 PolarHBondContact O-N 3.49Å
206Q94.6Very high95.1Very high78 Ų7858.5 Ų58.536%0.36429%0.285SS..Hα-helixtrans-54.3-41172.6-66.5178.7-8.200111.6L192 L196 H208 V209 L210L192-Q206 HydrophobicContact CD2-CB 4.17Å; L192-Q206 HydrophobicContact CD2-CG 4.28Å; L196-Q206 HydrophobicContact CD2-CG 3.74Å; Q206-H208 VanDerWaalsContact C-N 3.35Å; Q206-H208 PolarHBondContact O-N 2.89Å; Q206-V209 PolarHBondContact O-N 2.98Å; Q206-L210 WeakPolarHBondContact O-CB 3.11Å; Q206-L210 WeakPolarHBondContact O-CG 3.31Å; Q206-L210 PolarHBondContact O-N 3.25Å
207E94.5Very high94.8Very high63 Ų6358.5 Ų58.529%0.29429%0.287SS..Hα-helixtrans-65.5-35.7-179.3-179.157.8-162.800112.3T205 V209 L210 R211 R214T205-E207 PolarHBondContact O-N 3.36Å; E207-V209 VanDerWaalsContact C-N 3.33Å; E207-V209 PolarHBondContact O-N 3.34Å; E207-L210 PolarHBondContact O-N 3.21Å; E207-R211 HydrophobicContact CG-CG 4.39Å; E207-R211 WeakPolarHBondContact O-CB 3.23Å; E207-R211 VanDerWaalsContact O-CG 3.3Å; E207-R211 WeakPolarHBondContact O-CG 3.31Å; E207-R211 PolarHBondContact O-N 2.87Å; E207-R211 VanDerWaalsContact OE1-CG 3.29Å; E207-R211 WeakPolarHBondContact OE1-CG 3.4Å; E207-R211 IonicContact OE1-CZ 3.81Å; E207-R211 IonicContact OE1-NE 2.67Å; E207-R211 PolarHBondContact OE1-NE 2.86Å; E207-R211 IonicContact OE1-NH2 3.6Å; E207-R214 IonicContact OE1-NH2 3.56Å; E207-R214 PolarHBondContact OE1-NH2 3.45Å; E207-R214 IonicContact OE2-NH2 3.24Å
208H94.6Very high94.4Very high81 Ų8160 Ų6038%0.37530%0.301SS..Hα-helixtrans-59.1-45.7173.1-68.2140.8000111.5L204 T205 Q206 F212L204-H208 HydrophobicContact CD2-CB 4.05Å; T205-H208 PolarHBondContact N-ND1 3.42Å; T205-H208 WeakPolarHBondContact O-CB 3.35Å; T205-H208 PolarHBondContact O-N 3.46Å; T205-H208 VanDerWaalsContact O-N 3.16Å; T205-H208 PolarHBondContact OG1-N 3.39Å; T205-H208 PolarHBondContact OG1-ND1 3.04Å; T205-H208 VanDerWaalsContact OG1-ND1 3.08Å; Q206-H208 VanDerWaalsContact C-N 3.35Å; Q206-H208 PolarHBondContact O-N 2.89Å; H208-F212 PolarHBondContact O-N 3.21Å; H208-F212 VanDerWaalsContact O-N 3.13Å
209V95.9Very high93.8Very high0 Ų065.3 Ų65.30%033%0.327CS..Hα-helixtrans-69-42.7178.9-175.50000111.1L192 F194 V199 L204 T205 Q206 E207 R211 F212 L213 I227 L230L192-V209 HydrophobicContact CD1-CB 4.39Å; L192-V209 HydrophobicContact CD1-CG1 3.66Å; L192-V209 HydrophobicContact CD2-CB 3.78Å; L192-V209 HydrophobicContact CD2-CG1 3.92Å; L192-V209 HydrophobicContact CD2-CG2 4.3Å; L192-V209 HydrophobicContact CG-CG1 4.46Å; F194-V209 HydrophobicContact CD2-CG1 4.23Å; F194-V209 HydrophobicContact CE2-CG1 4.24Å; V199-V209 HydrophobicContact CG1-CG2 4.39Å; L204-V209 HydrophobicContact CB-CG2 4.43Å; L204-V209 HydrophobicContact CD1-CG2 4.23Å; T205-V209 PolarHBondContact O-N 3.49Å; Q206-V209 PolarHBondContact O-N 2.98Å; E207-V209 VanDerWaalsContact C-N 3.33Å; E207-V209 PolarHBondContact O-N 3.34Å; V209-R211 PolarHBondContact O-N 2.93Å; V209-F212 WeakPolarHBondContact O-CB 3.38Å; V209-F212 PolarHBondContact O-N 3.32Å; V209-L213 HydrophobicContact CG1-CD1 4.02Å; V209-L213 HydrophobicContact CG1-CG 4.32Å; V209-L213 WeakPolarHBondContact O-CG 3.46Å; V209-L213 PolarHBondContact O-N 3.16Å; V209-I227 HydrophobicContact CG1-CG2 4.34Å; V209-L230 HydrophobicContact CG2-CD2 3.71Å
210L95.9Very high92.8Very high8 Ų870.8 Ų70.84%0.04236%0.361CS..Hα-helixtrans-61.9-41177-75.8170.8000112.5A186 L192 Q206 E207 L213 R214A186-L210 HydrophobicContact CB-CD2 3.79Å; L192-L210 HydrophobicContact CB-CD2 3.92Å; L192-L210 HydrophobicContact CB-CG 4.11Å; Q206-L210 WeakPolarHBondContact O-CB 3.11Å; Q206-L210 WeakPolarHBondContact O-CG 3.31Å; Q206-L210 PolarHBondContact O-N 3.25Å; E207-L210 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 3.14Å; L210-R214 WeakPolarHBondContact O-CB 3.43Å; L210-R214 VanDerWaalsContact O-CG 3.25Å; L210-R214 WeakPolarHBondContact O-CG 3.35Å; L210-R214 PolarHBondContact O-N 2.91Å; L210-R214 VanDerWaalsContact O-N 3.09Å; L210-R214 PolarHBondContact O-NE 2.74Å; L210-R214 VanDerWaalsContact O-NE 3.11Å
211R94.8Very high92Very high140 Ų14068.8 Ų68.853%0.52836%0.355SS..Hα-helixtrans-62.2-47.5174.3-75.2177.9-174.8-177.11111.3E207 V209 L213 R214 N215E207-R211 HydrophobicContact CG-CG 4.39Å; E207-R211 WeakPolarHBondContact O-CB 3.23Å; E207-R211 VanDerWaalsContact O-CG 3.3Å; E207-R211 WeakPolarHBondContact O-CG 3.31Å; E207-R211 PolarHBondContact O-N 2.87Å; E207-R211 VanDerWaalsContact OE1-CG 3.29Å; E207-R211 WeakPolarHBondContact OE1-CG 3.4Å; E207-R211 IonicContact OE1-CZ 3.81Å; E207-R211 IonicContact OE1-NE 2.67Å; E207-R211 PolarHBondContact OE1-NE 2.86Å; E207-R211 IonicContact OE1-NH2 3.6Å; V209-R211 PolarHBondContact O-N 2.93Å; R211-L213 PolarHBondContact O-N 3.4Å; R211-R214 PolarHBondContact O-N 3.38Å; R211-N215 PolarHBondContact O-N 2.83Å; R211-N215 VanDerWaalsContact O-N 3.12Å; R211-N215 PolarHBondContact O-ND2 3.3Å; R211-N215 PolarHBondContact O-OD1 3.42Å
212F95.4Very high91Very high5 Ų569 Ų692%0.02237%0.365CS..Hα-helixtrans-55.7-51.1175.6171.1-93.2000111.7H208 V209 R214 N215 D224 I227 D306 R308H208-F212 PolarHBondContact O-N 3.21Å; H208-F212 VanDerWaalsContact O-N 3.13Å; V209-F212 WeakPolarHBondContact O-CB 3.38Å; V209-F212 PolarHBondContact O-N 3.32Å; F212-R214 PolarHBondContact O-N 3.41Å; F212-N215 PolarHBondContact O-N 2.87Å; F212-N215 VanDerWaalsContact O-N 3.15Å; F212-D224 HydrophobicContact CD2-CB 4.32Å; F212-D224 HydrophobicContact CE2-CB 3.84Å; F212-I227 HydrophobicContact CB-CD1 3.37Å; F212-I227 HydrophobicContact CB-CG2 4.41Å; F212-I227 HydrophobicContact CD1-CB 4.4Å; F212-I227 HydrophobicContact CD1-CD1 4.39Å; F212-I227 HydrophobicContact CD1-CG2 3.49Å; F212-I227 VanDerWaalsContact CD1-CG2 3.49Å; F212-I227 HydrophobicContact CD2-CD1 4.02Å; F212-I227 HydrophobicContact CD2-CG2 4.47Å; F212-I227 HydrophobicContact CE1-CG2 3.77Å; F212-I227 HydrophobicContact CG-CB 4.37Å; F212-I227 HydrophobicContact CG-CD1 3.68Å; F212-I227 HydrophobicContact CG-CG2 3.87Å; F212-I227 HydrophobicContact CZ-CG2 4.37Å; F212-D306 WeakPolarHBondContact CZ-OD1 3.39Å; F212-R308 HydrophobicContact CE1-CG 4.19Å; F212-R308 VanDerWaalsContact CE2-NH2 3.27Å; F212-R308 HydrophobicContact CZ-CG 4.38Å; F212-R308 WeakPolarHBondContact O-CD 3.4Å
213L95.6Very high90.1Very high1 Ų171.1 Ų71.11%0.00538%0.38CS..Hα-helixtrans-64.3-26.3-178.3-69174.7000113.9V183 A186 L192 V209 L210 R211 L307V183-L213 HydrophobicContact CG2-CD2 4.02Å; A186-L213 HydrophobicContact CB-CB 3.59Å; A186-L213 HydrophobicContact CB-CD1 3.97Å; A186-L213 HydrophobicContact CB-CG 4.46Å; L192-L213 HydrophobicContact CD1-CD1 3.94Å; V209-L213 HydrophobicContact CG1-CD1 4.02Å; V209-L213 HydrophobicContact CG1-CG 4.32Å; V209-L213 WeakPolarHBondContact O-CG 3.46Å; V209-L213 PolarHBondContact O-N 3.16Å; L210-L213 PolarHBondContact O-N 3.14Å; R211-L213 PolarHBondContact O-N 3.4Å; L213-L307 HydrophobicContact CD2-CB 3.82Å; L213-L307 HydrophobicContact CD2-CD1 4.13Å
214R95Very high89.8Confident93 Ų9364.5 Ų64.535%0.35134%0.344SS..Hα-helixtrans-82.7-23177.2-73.2-179.2-66.9179.6-1.4113.2A186 Q187 N190 E207 L210 R211 F212A186-R214 HydrophobicContact CB-CG 4.27Å; Q187-R214 HydrophobicContact CG-CG 4.26Å; N190-R214 PolarHBondContact OD1-NH1 3.05Å; E207-R214 IonicContact OE1-NH2 3.56Å; E207-R214 PolarHBondContact OE1-NH2 3.45Å; E207-R214 IonicContact OE2-NH2 3.24Å; L210-R214 WeakPolarHBondContact O-CB 3.43Å; L210-R214 VanDerWaalsContact O-CG 3.25Å; L210-R214 WeakPolarHBondContact O-CG 3.35Å; L210-R214 PolarHBondContact O-N 2.91Å; L210-R214 VanDerWaalsContact O-N 3.09Å; L210-R214 PolarHBondContact O-NE 2.74Å; L210-R214 VanDerWaalsContact O-NE 3.11Å; R211-R214 PolarHBondContact O-N 3.38Å; F212-R214 PolarHBondContact O-N 3.41Å
215N93Very high89.6Confident83 Ų8372 Ų7244%0.44438%0.376SS..SBendtrans-75.6155.3-177.7-71.7-14.3000112.3R211 F212 R308R211-N215 PolarHBondContact O-N 2.83Å; R211-N215 VanDerWaalsContact O-N 3.12Å; R211-N215 PolarHBondContact O-ND2 3.3Å; R211-N215 PolarHBondContact O-OD1 3.42Å; F212-N215 PolarHBondContact O-N 2.87Å; F212-N215 VanDerWaalsContact O-N 3.15Å; N215-R308 VanDerWaalsContact O-CD 3.24Å; N215-R308 WeakPolarHBondContact O-CD 3.37Å
216D90.4Very high89.7Confident97 Ų9770.9 Ų70.952%0.51937%0.37SS..  trans-64.5139.2172.4-169.4-78.6000110.8S218 M219 R308D216-S218 PolarHBondContact O-N 3.41Å; D216-S218 VanDerWaalsContact O-N 3.14Å; D216-S218 WeakPolarHBondContact OD1-CB 3.46Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 3.39Å; D216-M219 HydrophobicContact CB-CG 4.47Å; D216-M219 WeakPolarHBondContact O-CB 3.37Å; D216-M219 PolarHBondContact O-N 3.05Å; D216-R308 PolarHBondContact O-NH1 3.41Å; D216-R308 VanDerWaalsContact O-NH1 3.11Å
217P89.1Confident89.7Confident32 Ų3267.3 Ų67.321%0.20835%0.354CS..THydrogen-bonded Turntrans-57.5-23.4176.9-10.111.7000115M219 R308 L309 F311P217-M219 VanDerWaalsContact C-N 3.26Å; P217-M219 PolarHBondContact O-N 3.27Å; P217-R308 HydrophobicContact CB-CB 4.02Å; P217-R308 HydrophobicContact CG-CB 3.77Å; P217-L309 HydrophobicContact CB-CD2 3.66Å; P217-L309 HydrophobicContact CG-CD2 4.08Å; P217-F311 HydrophobicContact CG-CE1 3.88Å
218S87.1Confident89.8Confident79 Ų7966.4 Ų66.455%0.55235%0.349SS*.THydrogen-bonded Turntrans-69.8-22.4175.863.30000113.3D216 T220D216-S218 PolarHBondContact O-N 3.41Å; D216-S218 VanDerWaalsContact O-N 3.14Å; D216-S218 WeakPolarHBondContact OD1-CB 3.46Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 3.39Å; S218-T220 PolarHBondContact O-N 2.93Å; S218-T220 VanDerWaalsContact O-N 3.14Å
219M82.8Confident89.9Confident120 Ų12068.6 Ų68.659%0.59136%0.357SS*.  trans-81.294.4175.8-64.1-65.2107.600108.9D216 P217 R308D216-M219 HydrophobicContact CB-CG 4.47Å; D216-M219 WeakPolarHBondContact O-CB 3.37Å; D216-M219 PolarHBondContact O-N 3.05Å; P217-M219 VanDerWaalsContact C-N 3.26Å; P217-M219 PolarHBondContact O-N 3.27Å; M219-R308 PolarHBondContact O-NH1 2.86Å
220T77.4Confident89.9Confident115 Ų11568.6 Ų68.671%0.70636%0.357SS*.  trans-95.9133.6175.953.60000110.6S218 D224S218-T220 PolarHBondContact O-N 2.93Å; S218-T220 VanDerWaalsContact O-N 3.14Å; T220-D224 WeakPolarHBondContact CA-OD2 3.2Å
221S77.3Confident90Very high59 Ų5968.2 Ų68.241%0.41336%0.355SS..  trans-133.5160.6176.9830000111V223 D224S221-V223 PolarHBondContact O-N 2.93Å; S221-V223 VanDerWaalsContact O-N 3.17Å; S221-V223 WeakPolarHBondContact OG-CB 3.48Å; S221-V223 PolarHBondContact OG-N 3.3Å; S221-D224 PolarHBondContact N-OD1 3.45Å; S221-D224 PolarHBondContact N-OD2 3.38Å; S221-D224 VanDerWaalsContact O-CB 3.28Å; S221-D224 WeakPolarHBondContact O-CB 3.28Å; S221-D224 VanDerWaalsContact O-CG 3.25Å; S221-D224 PolarHBondContact O-N 3.32Å; S221-D224 PolarHBondContact OG-OD1 3.34Å
222T76.9Confident90.1Very high135 Ų13563.1 Ų63.183%0.82834%0.341SS*.THydrogen-bonded Turntrans-61.3-21.217250.30000112.5D224T222-D224 PolarHBondContact O-N 3.25Å
223V76.8Confident90.2Very high72 Ų7265.8 Ų65.844%0.43636%0.355SS..THydrogen-bonded Turntrans-73.9-13177.5-165.70000112S221 K225 P226S221-V223 PolarHBondContact O-N 2.93Å; S221-V223 VanDerWaalsContact O-N 3.17Å; S221-V223 WeakPolarHBondContact OG-CB 3.48Å; S221-V223 PolarHBondContact OG-N 3.3Å; V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.91Å; V223-P226 WeakPolarHBondContact O-CD 3.42Å
224D87.8Confident90.3Very high13 Ų1365.9 Ų65.97%0.0736%0.355CS..Hα-helixtrans-71.8-30.7-179.7-61.510.1000111.5F212 T220 S221 T222 I227 K228 R308F212-D224 HydrophobicContact CD2-CB 4.32Å; F212-D224 HydrophobicContact CE2-CB 3.84Å; T220-D224 WeakPolarHBondContact CA-OD2 3.2Å; S221-D224 PolarHBondContact N-OD1 3.45Å; S221-D224 PolarHBondContact N-OD2 3.38Å; S221-D224 VanDerWaalsContact O-CB 3.28Å; S221-D224 WeakPolarHBondContact O-CB 3.28Å; S221-D224 VanDerWaalsContact O-CG 3.25Å; S221-D224 PolarHBondContact O-N 3.32Å; S221-D224 PolarHBondContact OG-OD1 3.34Å; T222-D224 PolarHBondContact O-N 3.25Å; D224-I227 PolarHBondContact O-N 3.1Å; D224-I227 VanDerWaalsContact O-N 3.15Å; D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.94Å; D224-R308 IonicContact OD2-CZ 2.69Å; D224-R308 IonicContact OD2-NH2 3.87Å; D224-R308 PolarHBondContact OD2-NH2 2.89Å
225K92.7Very high90.4Very high169 Ų16961.4 Ų61.474%0.73534%0.339SS*.Hα-helixtrans-62.8-47.9-172.6-178.1179.4-177.1179.10113.3V223 I227 K228 K229V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.91Å; K225-I227 VanDerWaalsContact C-N 3.28Å; K225-I227 PolarHBondContact O-N 3.07Å; K225-K228 PolarHBondContact O-N 3.22Å; K225-K229 PolarHBondContact O-N 2.88Å
226P95.6Very high90.5Very high45 Ų4560.2 Ų60.229%0.29234%0.337SS..Hα-helixtrans-60.1-35.6173.3-24.834.7000113.3L204 V223 K229 L230L204-P226 HydrophobicContact CD1-CB 4.06Å; L204-P226 HydrophobicContact CD2-CB 4.13Å; L204-P226 HydrophobicContact CG-CB 4.21Å; V223-P226 WeakPolarHBondContact O-CD 3.42Å; P226-K229 PolarHBondContact O-N 2.92Å; P226-L230 WeakPolarHBondContact O-CB 3.16Å; P226-L230 PolarHBondContact O-N 2.81Å
227I96.2Very high90.8Very high3 Ų357.5 Ų57.52%0.01532%0.322CS..Hα-helixtrans-72.9-38.8-178.1-58.5172.4000111.3L204 V209 F212 D224 K225 K229 L230 T231L204-I227 HydrophobicContact CD1-CB 4.41Å; L204-I227 HydrophobicContact CD1-CG1 3.65Å; L204-I227 HydrophobicContact CD2-CG1 4.02Å; L204-I227 HydrophobicContact CG-CG1 4.5Å; V209-I227 HydrophobicContact CG1-CG2 4.34Å; F212-I227 HydrophobicContact CB-CD1 3.37Å; F212-I227 HydrophobicContact CB-CG2 4.41Å; F212-I227 HydrophobicContact CD1-CB 4.4Å; F212-I227 HydrophobicContact CD1-CD1 4.39Å; F212-I227 HydrophobicContact CD1-CG2 3.49Å; F212-I227 VanDerWaalsContact CD1-CG2 3.49Å; F212-I227 HydrophobicContact CD2-CD1 4.02Å; F212-I227 HydrophobicContact CD2-CG2 4.47Å; F212-I227 HydrophobicContact CE1-CG2 3.77Å; F212-I227 HydrophobicContact CG-CB 4.37Å; F212-I227 HydrophobicContact CG-CD1 3.68Å; F212-I227 HydrophobicContact CG-CG2 3.87Å; F212-I227 HydrophobicContact CZ-CG2 4.37Å; D224-I227 PolarHBondContact O-N 3.1Å; D224-I227 VanDerWaalsContact O-N 3.15Å; K225-I227 VanDerWaalsContact C-N 3.28Å; K225-I227 PolarHBondContact O-N 3.07Å; I227-K229 VanDerWaalsContact C-N 3.33Å; I227-L230 WeakPolarHBondContact O-CB 3.4Å; I227-L230 PolarHBondContact O-N 3.47Å; I227-T231 WeakPolarHBondContact O-CB 3.22Å; I227-T231 PolarHBondContact O-N 2.91Å; I227-T231 PolarHBondContact O-OG1 2.61Å
228K95.5Very high91.2Very high44 Ų4456 Ų5619%0.19131%0.312CS..Hα-helixtrans-62.4-40.6170.7-72.2178.4168.9-161.40111.6D224 K225 T231 C232 D304 F305D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.94Å; K225-K228 PolarHBondContact O-N 3.22Å; K228-T231 WeakPolarHBondContact O-CB 3.17Å; K228-T231 PolarHBondContact O-N 3.36Å; K228-C232 WeakPolarHBondContact O-CB 3.47Å; K228-C232 PolarHBondContact O-N 3.41Å; K228-D304 WeakPolarHBondContact CD-O 3.32Å; K228-D304 IonicContact NZ-OD2 3.85Å; K228-D304 PolarHBondContact NZ-OD2 2.69Å; K228-F305 HydrophobicContact CB-CB 4.45Å; K228-F305 WeakPolarHBondContact O-CB 3.38Å
229K96.3Very high91.6Very high128 Ų12853 Ų5356%0.55729%0.289SS*.Hα-helixtrans-66.1-43.7175.8-163.2-176.3174.3-173.10112.2K225 P226 I227 T231 C232 D233K225-K229 PolarHBondContact O-N 2.88Å; P226-K229 PolarHBondContact O-N 2.92Å; I227-K229 VanDerWaalsContact C-N 3.33Å; K229-T231 VanDerWaalsContact C-N 3.28Å; K229-T231 PolarHBondContact O-N 3.45Å; K229-C232 VanDerWaalsContact O-CB 3.32Å; K229-C232 WeakPolarHBondContact O-CB 3.42Å; K229-C232 PolarHBondContact O-N 3.38Å; K229-C232 VanDerWaalsContact O-N 3.14Å; K229-D233 PolarHBondContact O-N 2.87Å
230L97.1Very high92.3Very high0 Ų053.3 Ų53.30%029%0.285CS..Hα-helixtrans-53.6-46.3170.116563.9000111.5F194 V198 V199 L204 V209 P226 I227 D233 I234F194-L230 HydrophobicContact CD2-CD2 4.06Å; F194-L230 HydrophobicContact CD2-CG 4.26Å; V198-L230 HydrophobicContact CB-CD1 3.88Å; V198-L230 HydrophobicContact CG1-CD1 3.4Å; V199-L230 HydrophobicContact CG2-CD1 4.3Å; V199-L230 HydrophobicContact CG2-CD2 4.04Å; L204-L230 HydrophobicContact CD1-CB 4.39Å; L204-L230 HydrophobicContact CD1-CD2 3.89Å; V209-L230 HydrophobicContact CG2-CD2 3.71Å; P226-L230 WeakPolarHBondContact O-CB 3.16Å; P226-L230 PolarHBondContact O-N 2.81Å; I227-L230 WeakPolarHBondContact O-CB 3.4Å; I227-L230 PolarHBondContact O-N 3.47Å; L230-D233 PolarHBondContact O-N 3.02Å; L230-I234 HydrophobicContact CD1-CD1 4.04Å; L230-I234 HydrophobicContact CG-CD1 4.47Å; L230-I234 WeakPolarHBondContact O-CG1 3.33Å; L230-I234 PolarHBondContact O-N 3.48Å
231T97.2Very high93.2Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-63.7-41.3177.2-60.10000111.7L179 I227 K228 K229 D233 I234 A235 F305 L307L179-T231 HydrophobicContact CD2-CG2 4.04Å; I227-T231 WeakPolarHBondContact O-CB 3.22Å; I227-T231 PolarHBondContact O-N 2.91Å; I227-T231 PolarHBondContact O-OG1 2.61Å; K228-T231 WeakPolarHBondContact O-CB 3.17Å; K228-T231 PolarHBondContact O-N 3.36Å; K229-T231 VanDerWaalsContact C-N 3.28Å; K229-T231 PolarHBondContact O-N 3.45Å; T231-D233 PolarHBondContact O-N 3.18Å; T231-I234 PolarHBondContact O-N 3.04Å; T231-A235 VanDerWaalsContact O-CB 3.3Å; T231-A235 WeakPolarHBondContact O-CB 3.21Å; T231-A235 PolarHBondContact O-N 2.89Å; T231-F305 WeakPolarHBondContact CB-O 3.5Å; T231-F305 HydrophobicContact CG2-CB 3.89Å; T231-F305 HydrophobicContact CG2-CD1 4.4Å; T231-F305 WeakPolarHBondContact CG2-O 3.3Å; T231-L307 HydrophobicContact CG2-CD1 3.79Å; T231-L307 HydrophobicContact CG2-CD2 3.76Å; T231-L307 HydrophobicContact CG2-CG 3.65Å
232C97.1Very high94.2Very high32 Ų3245.1 Ų45.122%0.21623%0.232CC..Hα-helixtrans-59.1-43.5175.6-178.10000112.1K228 K229 I234 A235 S236 F305K228-C232 WeakPolarHBondContact O-CB 3.47Å; K228-C232 PolarHBondContact O-N 3.41Å; K229-C232 VanDerWaalsContact O-CB 3.32Å; K229-C232 WeakPolarHBondContact O-CB 3.42Å; K229-C232 PolarHBondContact O-N 3.38Å; K229-C232 VanDerWaalsContact O-N 3.14Å; C232-I234 PolarHBondContact O-N 3.34Å; C232-A235 PolarHBondContact O-N 2.67Å; C232-S236 WeakPolarHBondContact O-CB 3.33Å; C232-S236 PolarHBondContact O-N 3.18Å; C232-S236 PolarHBondContact O-OG 3.14Å; C232-F305 HydrophobicContact CB-CB 4.46Å; C232-F305 HydrophobicContact CB-CD1 3.94Å; C232-F305 HydrophobicContact CB-CD2 3.73Å; C232-F305 HydrophobicContact CB-CE1 4.05Å; C232-F305 HydrophobicContact CB-CE2 3.83Å; C232-F305 HydrophobicContact CB-CG 3.77Å; C232-F305 HydrophobicContact CB-CZ 3.98Å; C232-F305 VanDerWaalsContact SG-CE2 3.53Å; C232-F305 WeakPolarHBondContact SG-CZ 3.28Å
233D97.3Very high95.1Very high62 Ų6244.2 Ų44.233%0.33222%0.217SC..Hα-helixtrans-64.5-42.9179.6-68.1-13.2000111.5V198 H202 K229 L230 T231 S236 L237V198-D233 HydrophobicContact CG1-CB 4.28Å; H202-D233 IonicContact CD2-OD2 3.09Å; H202-D233 IonicContact CE1-OD2 2.74Å; H202-D233 PolarHBondContact CE1-OD2 3.32Å; H202-D233 IonicContact NE2-OD2 3.21Å; H202-D233 PolarHBondContact NE2-OD2 2.99Å; K229-D233 PolarHBondContact O-N 2.87Å; L230-D233 PolarHBondContact O-N 3.02Å; T231-D233 PolarHBondContact O-N 3.18Å; D233-S236 PolarHBondContact O-N 3.5Å; D233-L237 PolarHBondContact O-N 3.18Å; D233-L237 VanDerWaalsContact O-N 3.09Å
234I97.3Very high96Very high2 Ų244.7 Ų44.71%0.0121%0.211CC..Hα-helixtrans-65.5-44.1175.7-64.5172.5000111M175 M178 L179 F194 L230 T231 C232 S236 L237 G238M175-I234 HydrophobicContact SD-CG2 4.22Å; M178-I234 HydrophobicContact CE-CD1 4.32Å; M178-I234 HydrophobicContact CE-CG2 3.34Å; L179-I234 HydrophobicContact CD1-CG2 4.05Å; L179-I234 HydrophobicContact CD2-CB 4.11Å; L179-I234 HydrophobicContact CD2-CG2 3.65Å; L179-I234 HydrophobicContact CG-CG2 3.84Å; F194-I234 HydrophobicContact CB-CD1 4.04Å; F194-I234 HydrophobicContact CD1-CD1 3.91Å; F194-I234 HydrophobicContact CD2-CD1 3.63Å; F194-I234 HydrophobicContact CE1-CD1 4.25Å; F194-I234 HydrophobicContact CE2-CD1 3.99Å; F194-I234 HydrophobicContact CG-CD1 3.59Å; F194-I234 HydrophobicContact CZ-CD1 4.28Å; L230-I234 HydrophobicContact CD1-CD1 4.04Å; L230-I234 HydrophobicContact CG-CD1 4.47Å; L230-I234 WeakPolarHBondContact O-CG1 3.33Å; L230-I234 PolarHBondContact O-N 3.48Å; T231-I234 PolarHBondContact O-N 3.04Å; C232-I234 PolarHBondContact O-N 3.34Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.22Å; I234-L237 PolarHBondContact O-N 2.86Å; I234-G238 PolarHBondContact O-N 3.14Å; I234-G238 VanDerWaalsContact O-N 3.09Å
235A97Very high96.5Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-63.2-39.6178.200000111.3L179 T231 C232 L237 G238 H239 L296 L299 F305L179-A235 HydrophobicContact CD1-CB 3.9Å; T231-A235 VanDerWaalsContact O-CB 3.3Å; T231-A235 WeakPolarHBondContact O-CB 3.21Å; T231-A235 PolarHBondContact O-N 2.89Å; C232-A235 PolarHBondContact O-N 2.67Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.14Å; A235-G238 CarbonylContact O-C 3.03Å; A235-G238 WeakPolarHBondContact O-CA 3.47Å; A235-G238 PolarHBondContact O-N 2.96Å; A235-G238 VanDerWaalsContact O-N 3.12Å; A235-H239 PolarHBondContact O-CD2 3.16Å; A235-H239 VanDerWaalsContact O-CD2 3.29Å; A235-H239 PolarHBondContact O-N 3.33Å; A235-L296 HydrophobicContact CB-CD2 4.41Å; A235-L299 HydrophobicContact CB-CD1 4.46Å; A235-F305 HydrophobicContact CB-CD1 4.12Å; A235-F305 HydrophobicContact CB-CE1 3.87Å
236S96.3Very high96.6Very high58 Ų5836.6 Ų36.641%0.40618%0.176SC..Hα-helixtrans-62.3-38.4176.3-670000112C232 D233 I234 H239 Y240C232-S236 WeakPolarHBondContact O-CB 3.33Å; C232-S236 PolarHBondContact O-N 3.18Å; C232-S236 PolarHBondContact O-OG 3.14Å; D233-S236 PolarHBondContact O-N 3.5Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.22Å; S236-H239 WeakPolarHBondContact O-CB 3.48Å; S236-H239 PolarHBondContact O-N 2.99Å; S236-Y240 WeakPolarHBondContact O-CB 3.44Å; S236-Y240 PolarHBondContact O-N 3.42Å
237L96.5Very high96.5Very high39 Ų3939 Ų3920%0.20418%0.183CC..Hα-helixtrans-65.3-41.5172-173.756.5000111.6C133 M175 D233 I234 A235 H239 Y240 H241C133-L237 HydrophobicContact CB-CD2 4.1Å; M175-L237 HydrophobicContact CE-CD2 3.33Å; M175-L237 HydrophobicContact CE-CG 3.84Å; M175-L237 HydrophobicContact SD-CD2 4.23Å; M175-L237 HydrophobicContact SD-CG 4.48Å; D233-L237 PolarHBondContact O-N 3.18Å; D233-L237 VanDerWaalsContact O-N 3.09Å; I234-L237 PolarHBondContact O-N 2.86Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.14Å; L237-H239 PolarHBondContact O-N 3.22Å; L237-Y240 HydrophobicContact CD1-CD1 4.3Å; L237-Y240 WeakPolarHBondContact O-CB 3.36Å; L237-Y240 PolarHBondContact O-N 3.45Å; L237-H241 PolarHBondContact O-CD2 3.18Å; L237-H241 PolarHBondContact O-N 3.36Å; L237-H241 VanDerWaalsContact O-N 3.12Å
238G97.1Very high96.6Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-57.1-46.3170.800000113I234 A235 H241 A242I234-G238 PolarHBondContact O-N 3.14Å; I234-G238 VanDerWaalsContact O-N 3.09Å; A235-G238 CarbonylContact O-C 3.03Å; A235-G238 WeakPolarHBondContact O-CA 3.47Å; A235-G238 PolarHBondContact O-N 2.96Å; A235-G238 VanDerWaalsContact O-N 3.12Å; G238-H241 PolarHBondContact O-N 3.47Å; G238-A242 PolarHBondContact O-N 3.49Å
239H95.8Very high96.6Very high16 Ų1638 Ų387%0.07418%0.18CC..Hα-helixtrans-60.4-44.6175.4-82.5-66.2000112.2A235 S236 L237 H241 A242 K243 L296 D297 P335A235-H239 PolarHBondContact O-CD2 3.16Å; A235-H239 VanDerWaalsContact O-CD2 3.29Å; A235-H239 PolarHBondContact O-N 3.33Å; S236-H239 WeakPolarHBondContact O-CB 3.48Å; S236-H239 PolarHBondContact O-N 2.99Å; L237-H239 PolarHBondContact O-N 3.22Å; H239-H241 VanDerWaalsContact C-N 3.35Å; H239-H241 PolarHBondContact O-N 2.91Å; H239-A242 PolarHBondContact O-N 3.46Å; H239-K243 WeakPolarHBondContact O-CB 3.33Å; H239-K243 PolarHBondContact O-N 3.3Å; H239-L296 WeakPolarHBondContact CE1-CB 3.3Å; H239-L296 WeakPolarHBondContact NE2-CB 3.3Å; H239-L296 PolarHBondContact NE2-O 2.92Å; H239-D297 IonicContact CE1-OD1 2.71Å; H239-P335 HydrophobicContact CB-CG 4.23Å; H239-P335 WeakPolarHBondContact CE1-CB 3.4Å; H239-P335 WeakPolarHBondContact ND1-CB 3.32Å; H239-P335 WeakPolarHBondContact ND1-CG 3.47Å
240Y96.7Very high96.5Very high127 Ų12734.7 Ų34.750%0.49817%0.173SC..Hα-helixtrans-55-50.4176167.3-100.4000111.2S236 L237 A242 K243 R244S236-Y240 WeakPolarHBondContact O-CB 3.44Å; S236-Y240 PolarHBondContact O-N 3.42Å; L237-Y240 HydrophobicContact CD1-CD1 4.3Å; L237-Y240 WeakPolarHBondContact O-CB 3.36Å; L237-Y240 PolarHBondContact O-N 3.45Å; Y240-A242 PolarHBondContact O-N 3.21Å; Y240-K243 PolarHBondContact O-N 2.87Å; Y240-R244 HydrophobicContact CD2-CG 4.36Å; Y240-R244 HydrophobicContact CE1-CG 4.19Å; Y240-R244 HydrophobicContact CE2-CG 3.94Å; Y240-R244 VanDerWaalsContact O-CG 3.27Å; Y240-R244 WeakPolarHBondContact O-CG 3.33Å; Y240-R244 PolarHBondContact O-N 2.92Å
241H97.7Very high96.3Very high2 Ų238.6 Ų38.61%0.00919%0.192CC..Hα-helixtrans-62.8-44.3177.8-74-72.1000112.2E137 H168 R171 A172 L237 G238 H239 K243 R244 V245E137-H241 IonicContact OE1-CE1 2.78Å; E137-H241 IonicContact OE1-NE2 3.43Å; E137-H241 PolarHBondContact OE1-NE2 2.93Å; E137-H241 IonicContact OE2-CE1 2.77Å; E137-H241 IonicContact OE2-NE2 3.94Å; H168-H241 HydrophobicContact CB-CB 4.48Å; H168-H241 AromaticContact CE1-ND1 3.73Å; H168-H241 AromaticContact CG-ND1 3.82Å; H168-H241 AromaticContact ND1-CE1 3.76Å; H168-H241 AromaticContact ND1-CG 3.83Å; H168-H241 AromaticContact ND1-ND1 2.9Å; H168-H241 PolarHBondContact ND1-ND1 3.31Å; H168-H241 WeakPolarHBondContact O-CB 3.29Å; R171-H241 HydrophobicContact CB-CB 4.37Å; R171-H241 WeakPolarHBondContact CD-CE1 3.35Å; A172-H241 HydrophobicContact CB-CB 3.81Å; L237-H241 PolarHBondContact O-CD2 3.18Å; L237-H241 PolarHBondContact O-N 3.36Å; L237-H241 VanDerWaalsContact O-N 3.12Å; G238-H241 PolarHBondContact O-N 3.47Å; H239-H241 VanDerWaalsContact C-N 3.35Å; H239-H241 PolarHBondContact O-N 2.91Å; H241-K243 VanDerWaalsContact C-N 3.34Å; H241-K243 PolarHBondContact O-N 3.33Å; H241-R244 WeakPolarHBondContact O-CB 3.41Å; H241-R244 PolarHBondContact O-N 3.24Å; H241-V245 WeakPolarHBondContact O-CG2 3.49Å; H241-V245 PolarHBondContact O-N 3.08Å
242A97Very high96.3Very high0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-59.7-43.1177.700000112.6A172 G238 H239 Y240 V245 S246 L289 N293 P335A172-A242 HydrophobicContact CB-CB 4.18Å; G238-A242 PolarHBondContact O-N 3.49Å; H239-A242 PolarHBondContact O-N 3.46Å; Y240-A242 PolarHBondContact O-N 3.21Å; A242-V245 WeakPolarHBondContact O-CB 3.13Å; A242-V245 PolarHBondContact O-N 3.39Å; A242-S246 PolarHBondContact O-N 3.29Å; A242-S246 VanDerWaalsContact O-N 3.15Å; A242-L289 HydrophobicContact CB-CD1 3.96Å; A242-N293 VanDerWaalsContact CB-OD1 3.23Å; A242-N293 WeakPolarHBondContact CB-OD1 3.5Å; A242-P335 HydrophobicContact CB-CG 4.14Å
243K96Very high96.1Very high116 Ų11640.4 Ų40.450%0.50420%0.198SC..Hα-helixtrans-62-42.3174.9-179.5166.4-177.51630112.1H239 Y240 H241 V245 S246 H247 E334H239-K243 WeakPolarHBondContact O-CB 3.33Å; H239-K243 PolarHBondContact O-N 3.3Å; Y240-K243 PolarHBondContact O-N 2.87Å; H241-K243 VanDerWaalsContact C-N 3.34Å; H241-K243 PolarHBondContact O-N 3.33Å; K243-V245 VanDerWaalsContact C-N 3.29Å; K243-V245 PolarHBondContact O-N 3.23Å; K243-S246 PolarHBondContact O-N 3.39Å; K243-H247 PolarHBondContact O-N 3.1Å; K243-E334 WeakPolarHBondContact CD-OE2 3.29Å; K243-E334 WeakPolarHBondContact CE-OE2 3.35Å; K243-E334 HydrophobicContact CG-CB 4.38Å; K243-E334 WeakPolarHBondContact CG-OE2 3.49Å; K243-E334 IonicContact NZ-OE2 3.41Å
244R96.8Very high95.9Very high82 Ų8243.8 Ų43.831%0.30921%0.213SC..Hα-helixtrans-60.6-37.2174.7-69.2-69.3-64.3158.2-2.5112H168 Y240 H241 H247 L248H168-R244 HydrophobicContact CB-CB 4.2Å; H168-R244 WeakPolarHBondContact ND1-CB 3.46Å; Y240-R244 HydrophobicContact CD2-CG 4.36Å; Y240-R244 HydrophobicContact CE1-CG 4.19Å; Y240-R244 HydrophobicContact CE2-CG 3.94Å; Y240-R244 VanDerWaalsContact O-CG 3.27Å; Y240-R244 WeakPolarHBondContact O-CG 3.33Å; Y240-R244 PolarHBondContact O-N 2.92Å; H241-R244 WeakPolarHBondContact O-CB 3.41Å; H241-R244 PolarHBondContact O-N 3.24Å; R244-H247 PolarHBondContact O-N 2.92Å; R244-L248 WeakPolarHBondContact O-CB 3.34Å; R244-L248 VanDerWaalsContact O-CG 3.27Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 3.2Å
245V97.4Very high95.7Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-61.9-48.1173.2179.50000111.2L165 H168 F169 H241 A242 K243 H247 L248 S249 L286 L289L165-V245 HydrophobicContact CD2-CG1 4.36Å; L165-V245 HydrophobicContact CG-CG1 4.26Å; H168-V245 HydrophobicContact CB-CG2 3.73Å; F169-V245 HydrophobicContact CB-CG1 4.49Å; F169-V245 HydrophobicContact CB-CG2 3.78Å; F169-V245 VanDerWaalsContact N-CG2 3.32Å; H241-V245 WeakPolarHBondContact O-CG2 3.49Å; H241-V245 PolarHBondContact O-N 3.08Å; A242-V245 WeakPolarHBondContact O-CB 3.13Å; A242-V245 PolarHBondContact O-N 3.39Å; K243-V245 VanDerWaalsContact C-N 3.29Å; K243-V245 PolarHBondContact O-N 3.23Å; V245-H247 VanDerWaalsContact C-N 3.31Å; V245-H247 PolarHBondContact O-N 2.92Å; V245-L248 PolarHBondContact O-N 2.91Å; V245-S249 VanDerWaalsContact O-CB 3.3Å; V245-S249 WeakPolarHBondContact O-CB 3.3Å; V245-S249 PolarHBondContact O-N 3.23Å; V245-S249 PolarHBondContact O-OG 3.22Å; V245-L286 HydrophobicContact CG1-CD1 4.31Å; V245-L286 HydrophobicContact CG1-CD2 3.94Å; V245-L289 HydrophobicContact CB-CD2 3.98Å; V245-L289 HydrophobicContact CG1-CD2 3.72Å
246S94.5Very high95.5Very high12 Ų1249.7 Ų49.78%0.08424%0.242CC..Hα-helixtrans-61.5-38.1178.4-62.30000112.4A242 K243 S249 S250 P332 E334A242-S246 PolarHBondContact O-N 3.29Å; A242-S246 VanDerWaalsContact O-N 3.15Å; K243-S246 PolarHBondContact O-N 3.39Å; S246-S249 WeakPolarHBondContact CA-OG 3.25Å; S246-S249 PolarHBondContact O-OG 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.38Å; S246-S250 PolarHBondContact O-N 3.3Å; S246-S250 VanDerWaalsContact O-N 3.15Å; S246-S250 PolarHBondContact O-OG 3.19Å; S246-P332 PolarHBondContact OG-O 3.36Å; S246-E334 PolarHBondContact OG-N 3.19Å
247H94.9Very high95.3Very high95 Ų9552.5 Ų52.544%0.4425%0.251SS..Hα-helixtrans-65.6-56.4175.4-174-86.9000112.2K243 R244 V245 S249 S250 E251K243-H247 PolarHBondContact O-N 3.1Å; R244-H247 PolarHBondContact O-N 2.92Å; V245-H247 VanDerWaalsContact C-N 3.31Å; V245-H247 PolarHBondContact O-N 2.92Å; H247-S249 VanDerWaalsContact C-N 3.28Å; H247-S249 PolarHBondContact O-N 3.28Å; H247-S250 WeakPolarHBondContact O-CB 3.43Å; H247-S250 PolarHBondContact O-N 3.24Å; H247-E251 IonicContact CE1-OE1 3.25Å; H247-E251 PolarHBondContact CE1-OE1 3.44Å; H247-E251 IonicContact CE1-OE2 2.81Å; H247-E251 PolarHBondContact CE1-OE2 3.27Å; H247-E251 VanDerWaalsContact ND1-CD 3.29Å; H247-E251 IonicContact ND1-OE1 3.84Å; H247-E251 IonicContact ND1-OE2 3.69Å; H247-E251 PolarHBondContact ND1-OE2 3.34Å; H247-E251 PolarHBondContact O-N 3.28Å
248L96.7Very high95.1Very high27 Ų2753.7 Ų53.714%0.14126%0.263CS..Hα-helixtrans-60.7-38.5-177.7-69.7167.2000111.8L165 R244 V245 S250 E251 L252L165-L248 HydrophobicContact CB-CB 4.06Å; L165-L248 HydrophobicContact CB-CD1 4.15Å; L165-L248 HydrophobicContact CD1-CB 4.16Å; L165-L248 HydrophobicContact CG-CB 4.33Å; R244-L248 WeakPolarHBondContact O-CB 3.34Å; R244-L248 VanDerWaalsContact O-CG 3.27Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 3.2Å; V245-L248 PolarHBondContact O-N 2.91Å; L248-S250 VanDerWaalsContact C-N 3.34Å; L248-E251 WeakPolarHBondContact CD2-OE2 3.3Å; L248-E251 PolarHBondContact O-N 3.33Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.93Å
249S95.7Very high94.5Very high0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-66.2-36175.552.10000112.4V245 S246 H247 M253 I331V245-S249 VanDerWaalsContact O-CB 3.3Å; V245-S249 WeakPolarHBondContact O-CB 3.3Å; V245-S249 PolarHBondContact O-N 3.23Å; V245-S249 PolarHBondContact O-OG 3.22Å; S246-S249 WeakPolarHBondContact CA-OG 3.25Å; S246-S249 PolarHBondContact O-OG 3.23Å; H247-S249 VanDerWaalsContact C-N 3.28Å; H247-S249 PolarHBondContact O-N 3.28Å; S249-M253 WeakPolarHBondContact O-CB 3.07Å; S249-M253 PolarHBondContact O-N 3.39Å; S249-I331 WeakPolarHBondContact O-CD1 3.23Å; S249-I331 WeakPolarHBondContact OG-CG2 3.22Å
250S93.5Very high93.9Very high59 Ų5960.5 Ų60.541%0.41331%0.306SS..Hα-helixtrans-67.9-40.9174.9-590000111.6S246 H247 L248 M253 M254S246-S250 WeakPolarHBondContact O-CB 3.38Å; S246-S250 PolarHBondContact O-N 3.3Å; S246-S250 VanDerWaalsContact O-N 3.15Å; S246-S250 PolarHBondContact O-OG 3.19Å; H247-S250 WeakPolarHBondContact O-CB 3.43Å; H247-S250 PolarHBondContact O-N 3.24Å; L248-S250 VanDerWaalsContact C-N 3.34Å; S250-M253 PolarHBondContact O-N 3.48Å; S250-M254 WeakPolarHBondContact O-CG 3.4Å; S250-M254 PolarHBondContact O-N 3.02Å
251E94.7Very high93.3Very high82 Ų8260 Ų6038%0.38332%0.317SS..Hα-helixtrans-60.6-47.5174.1-70.5176.2130.800111.6H247 L248 M253 M254 Q255H247-E251 IonicContact CE1-OE1 3.25Å; H247-E251 PolarHBondContact CE1-OE1 3.44Å; H247-E251 IonicContact CE1-OE2 2.81Å; H247-E251 PolarHBondContact CE1-OE2 3.27Å; H247-E251 VanDerWaalsContact ND1-CD 3.29Å; H247-E251 IonicContact ND1-OE1 3.84Å; H247-E251 IonicContact ND1-OE2 3.69Å; H247-E251 PolarHBondContact ND1-OE2 3.34Å; H247-E251 PolarHBondContact O-N 3.28Å; L248-E251 WeakPolarHBondContact CD2-OE2 3.3Å; L248-E251 PolarHBondContact O-N 3.33Å; E251-M253 VanDerWaalsContact C-N 3.33Å; E251-M253 PolarHBondContact O-N 3.49Å; E251-M254 PolarHBondContact O-N 2.87Å; E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 VanDerWaalsContact O-CG 3.27Å; E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.18Å
252L95.3Very high92.8Very high19 Ų1964.3 Ų64.310%0.09934%0.336CS..Hα-helixtrans-60.9-41.6175.2-71.8171.6000111.7L162 L165 L248 Q255 S256 I278 L282L162-L252 HydrophobicContact CD1-CD1 4.08Å; L165-L252 HydrophobicContact CD1-CD1 3.74Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.93Å; L252-Q255 PolarHBondContact O-N 2.64Å; L252-S256 WeakPolarHBondContact O-CB 3.19Å; L252-S256 PolarHBondContact O-N 3.32Å; L252-I278 HydrophobicContact CB-CG2 4.18Å; L252-L282 HydrophobicContact CD1-CD2 4.25Å
253M93.9Very high92.1Very high51 Ų5172.5 Ų72.525%0.25138%0.38SS..Hα-helixtrans-61.5-46.1177.3-169.165.9162.200111S249 S250 E251 S256 L257 I278 Q279 I331S249-M253 WeakPolarHBondContact O-CB 3.07Å; S249-M253 PolarHBondContact O-N 3.39Å; S250-M253 PolarHBondContact O-N 3.48Å; E251-M253 VanDerWaalsContact C-N 3.33Å; E251-M253 PolarHBondContact O-N 3.49Å; M253-S256 WeakPolarHBondContact O-CB 3.34Å; M253-S256 PolarHBondContact O-N 3.37Å; M253-S256 PolarHBondContact O-OG 3.39Å; M253-L257 PolarHBondContact O-N 3.06Å; M253-I278 HydrophobicContact SD-CG2 4.46Å; M253-Q279 HydrophobicContact CE-CB 4.37Å; M253-Q279 HydrophobicContact CE-CG 4.25Å; M253-Q279 HydrophobicContact SD-CB 4.35Å; M253-Q279 HydrophobicContact SD-CG 3.92Å; M253-I331 HydrophobicContact CB-CD1 4.1Å
254M93.6Very high91.9Very high133 Ų13369.7 Ų69.766%0.65537%0.374SS*.Hα-helixtrans-62.5-45.4176.5-72.5-59.5-63.400112S250 E251 S256 L257S250-M254 WeakPolarHBondContact O-CG 3.4Å; S250-M254 PolarHBondContact O-N 3.02Å; E251-M254 PolarHBondContact O-N 2.87Å; M254-S256 PolarHBondContact O-N 3.36Å; M254-L257 PolarHBondContact O-N 3.04Å; M254-L257 HydrophobicContact SD-CD1 4.47Å
255Q93Very high91.7Very high121 Ų12169.7 Ų69.757%0.56539%0.392SS*.Hα-helixtrans-60.2-34.8175.4-72.3171.81.800111.8E251 L252 L257 S258E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 VanDerWaalsContact O-CG 3.27Å; E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.18Å; L252-Q255 PolarHBondContact O-N 2.64Å; Q255-L257 PolarHBondContact O-N 2.86Å; Q255-S258 WeakPolarHBondContact O-CB 3.12Å; Q255-S258 PolarHBondContact O-N 3.47Å; Q255-S258 PolarHBondContact O-OG 3.31Å
256S92.6Very high91.5Very high5 Ų578 Ų784%0.03543%0.428CS..Hα-helixtrans-67.3-21.5-179.582.50000114.1L252 M253 M254 S258 K275 Q279L252-S256 WeakPolarHBondContact O-CB 3.19Å; L252-S256 PolarHBondContact O-N 3.32Å; M253-S256 WeakPolarHBondContact O-CB 3.34Å; M253-S256 PolarHBondContact O-N 3.37Å; M253-S256 PolarHBondContact O-OG 3.39Å; M254-S256 PolarHBondContact O-N 3.36Å; S256-S258 VanDerWaalsContact C-N 3.32Å; S256-K275 VanDerWaalsContact O-CD 3.3Å; S256-K275 WeakPolarHBondContact O-CD 3.31Å; S256-Q279 PolarHBondContact O-NE2 3.48Å; S256-Q279 VanDerWaalsContact O-NE2 3.14Å; S256-Q279 VanDerWaalsContact OG-CG 3.24Å; S256-Q279 WeakPolarHBondContact OG-CG 3.45Å; S256-Q279 PolarHBondContact OG-NE2 3Å
257L92.2Very high91.4Very high116 Ų11681.6 Ų81.661%0.60745%0.446SS*.THydrogen-bonded Turntrans-83.4-10.6179-63.5170.5000112.7M253 M254 Q255M253-L257 PolarHBondContact O-N 3.06Å; M254-L257 PolarHBondContact O-N 3.04Å; M254-L257 HydrophobicContact SD-CD1 4.47Å; Q255-L257 PolarHBondContact O-N 2.86Å
258S91.4Very high91.3Very high64 Ų6482.4 Ų82.445%0.44845%0.448SS..SBendtrans-67.8151.617867.30000112.5Q255 S256 K275Q255-S258 WeakPolarHBondContact O-CB 3.12Å; Q255-S258 PolarHBondContact O-N 3.47Å; Q255-S258 PolarHBondContact O-OG 3.31Å; S256-S258 VanDerWaalsContact C-N 3.32Å; S258-K275 PolarHBondContact O-NZ 3.32Å; S258-K275 PolarHBondContact OG-NZ 3.02Å
259T85.7Confident91.1Very high116 Ų11687.9 Ų87.971%0.71247%0.471SS*.PPolyproline II helixtrans-69136.6173.249.40000110.8T261T259-T261 PolarHBondContact O-N 2.95Å
260P81.8Confident91Very high43 Ų4392.4 Ų92.428%0.27949%0.49SS..PPolyproline II helixtrans-59.8127.8174-21.231.6000111.5K268 D271P260-K268 HydrophobicContact CB-CG 3.93Å; P260-K268 HydrophobicContact CG-CG 4.47Å; P260-D271 WeakPolarHBondContact CB-OD2 3.35Å; P260-D271 WeakPolarHBondContact CG-OD2 3.32Å
261T84.3Confident91Very high117 Ų11791.1 Ų91.172%0.71848%0.479SS*.  trans-98.7-3.5-179.353.30000113.5T259T259-T261 PolarHBondContact O-N 2.95Å
262F86.9Confident91Very high93 Ų9392.5 Ų92.541%0.40849%0.488SS..  trans-76127.7-175-61-75.2000113L267 D271F262-L267 HydrophobicContact CB-CB 3.86Å; F262-L267 HydrophobicContact CD1-CB 4.09Å; F262-L267 HydrophobicContact CD1-CD1 4.11Å; F262-L267 HydrophobicContact CG-CB 3.92Å; F262-D271 HydrophobicContact CD2-CB 3.87Å; F262-D271 HydrophobicContact CE2-CB 3.82Å
263N82.5Confident91Very high172 Ų17296.6 Ų96.692%0.9251%0.507SS*.SBendtrans-70.4-34.3174.5-68.3-20.1000112.9A265N263-A265 PolarHBondContact O-N 3.48Å
264S92.5Very high91.1Very high56 Ų5695.5 Ų95.539%0.39250%0.501SS..SBendtrans-73.7125.9179.1175.20000111.4K266 L267 K268S264-K266 VanDerWaalsContact C-N 3.25Å; S264-K266 PolarHBondContact O-N 2.93Å; S264-L267 PolarHBondContact O-N 3.32Å; S264-L267 VanDerWaalsContact O-N 3.15Å; S264-K268 WeakPolarHBondContact O-CB 3.47Å; S264-K268 PolarHBondContact O-N 3.39Å
265A92.5Very high91.2Very high83 Ų8389.9 Ų89.969%0.68647%0.473SS*.Hα-helixtrans-56.9-37.4177.300000113N263 K269N263-A265 PolarHBondContact O-N 3.48Å; A265-K269 WeakPolarHBondContact O-CB 3.5Å; A265-K269 PolarHBondContact O-N 3.12Å
266K92.7Very high91.3Very high175 Ų17589.4 Ų89.476%0.76147%0.471SS*.Hα-helixtrans-64.3-46.4177.4-175.8179.7178.9-179.20111.4S264 K269 K270S264-K266 VanDerWaalsContact C-N 3.25Å; S264-K266 PolarHBondContact O-N 2.93Å; K266-K269 PolarHBondContact O-N 3.46Å; K266-K270 PolarHBondContact O-N 2.94Å
267L92.5Very high91.5Very high86 Ų8690.2 Ų90.245%0.4547%0.474SS..Hα-helixtrans-67-42.1178.5-66178.6000111.3F262 S264 K269 K270 D271F262-L267 HydrophobicContact CB-CB 3.86Å; F262-L267 HydrophobicContact CD1-CB 4.09Å; F262-L267 HydrophobicContact CD1-CD1 4.11Å; F262-L267 HydrophobicContact CG-CB 3.92Å; S264-L267 PolarHBondContact O-N 3.32Å; S264-L267 VanDerWaalsContact O-N 3.15Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 2.94Å; L267-K270 PolarHBondContact O-N 3.05Å; L267-D271 WeakPolarHBondContact O-CB 3.49Å; L267-D271 PolarHBondContact O-N 2.81Å
268K92.8Very high91.6Very high113 Ų11385.6 Ų85.649%0.49145%0.45SS..Hα-helixtrans-59-42.4175.4-172.8173.3-177.2176.10112.2P260 S264 L272P260-K268 HydrophobicContact CB-CG 3.93Å; P260-K268 HydrophobicContact CG-CG 4.47Å; S264-K268 WeakPolarHBondContact O-CB 3.47Å; S264-K268 PolarHBondContact O-N 3.39Å; K268-L272 WeakPolarHBondContact O-CB 3.33Å; K268-L272 PolarHBondContact O-N 3.04Å
269K93.7Very high91.8Very high141 Ų14185.1 Ų85.161%0.61344%0.441SS*.Hα-helixtrans-63.9-44.6175.3-175.5177.8179178.90111.7A265 K266 L267 L272 Q273A265-K269 WeakPolarHBondContact O-CB 3.5Å; A265-K269 PolarHBondContact O-N 3.12Å; K266-K269 PolarHBondContact O-N 3.46Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 2.94Å; K269-L272 PolarHBondContact O-N 2.89Å; K269-Q273 WeakPolarHBondContact O-CG 3.41Å; K269-Q273 PolarHBondContact O-N 3.36Å
270K93.5Very high92.2Very high95 Ų9581.9 Ų81.941%0.41342%0.42SS..Hα-helixtrans-61.6-45.6177.2-172.3-171.7170.8-157.10111.3E158 K266 L267 Q273 Q274E158-K270 WeakPolarHBondContact OE2-CE 3.49Å; E158-K270 IonicContact OE2-NZ 2.79Å; E158-K270 PolarHBondContact OE2-NZ 3.48Å; K266-K270 PolarHBondContact O-N 2.94Å; L267-K270 PolarHBondContact O-N 3.05Å; K270-Q273 WeakPolarHBondContact O-CB 3.3Å; K270-Q273 PolarHBondContact O-N 2.82Å; K270-Q274 PolarHBondContact O-N 2.95Å
271D93.7Very high92.8Very high32 Ų3280.2 Ų80.217%0.17141%0.409CS..Hα-helixtrans-57.4-50.7176178.660.7000111.3P260 F262 L267 Q273 Q274 K275P260-D271 WeakPolarHBondContact CB-OD2 3.35Å; P260-D271 WeakPolarHBondContact CG-OD2 3.32Å; F262-D271 HydrophobicContact CD2-CB 3.87Å; F262-D271 HydrophobicContact CE2-CB 3.82Å; L267-D271 WeakPolarHBondContact O-CB 3.49Å; L267-D271 PolarHBondContact O-N 2.81Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.35Å; D271-Q274 PolarHBondContact O-N 3.2Å; D271-Q274 VanDerWaalsContact O-N 3.1Å; D271-K275 WeakPolarHBondContact O-CG 3.41Å; D271-K275 PolarHBondContact O-N 2.84Å; D271-K275 WeakPolarHBondContact OD1-CE 3.45Å; D271-K275 IonicContact OD1-NZ 3.93Å; D271-K275 WeakPolarHBondContact OD2-CE 3.22Å; D271-K275 IonicContact OD2-NZ 3.18Å; D271-K275 PolarHBondContact OD2-NZ 2.77Å
272L94.8Very high93.4Very high111 Ų11174.8 Ų74.858%0.58138%0.375SS*.Hα-helixtrans-60.1-37.8179.2-173.363.2000112.6K268 K269 K275 H276K268-L272 WeakPolarHBondContact O-CB 3.33Å; K268-L272 PolarHBondContact O-N 3.04Å; K269-L272 PolarHBondContact O-N 2.89Å; L272-K275 PolarHBondContact O-N 3.16Å; L272-H276 PolarHBondContact O-N 3.44Å
273Q95Very high93.8Very high106 Ų10670.5 Ų70.550%0.49536%0.356SS..Hα-helixtrans-63-47174-74.7176.5-26.100111.7K269 K270 D271 K275 H276 L277K269-Q273 WeakPolarHBondContact O-CG 3.41Å; K269-Q273 PolarHBondContact O-N 3.36Å; K270-Q273 WeakPolarHBondContact O-CB 3.3Å; K270-Q273 PolarHBondContact O-N 2.82Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.35Å; Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 3.38Å; Q273-H276 PolarHBondContact O-N 3.21Å; Q273-L277 WeakPolarHBondContact O-CG 3.21Å; Q273-L277 PolarHBondContact O-N 3Å
274Q95.9Very high94.4Very high27 Ų2764 Ų6413%0.12632%0.32CS..Hα-helixtrans-61.2-43.1176.8-67.6-55.3-52.100111.8G156 K270 D271 H276 L277 I278G156-Q274 PolarHBondContact O-NE2 2.79Å; K270-Q274 PolarHBondContact O-N 2.95Å; D271-Q274 PolarHBondContact O-N 3.2Å; D271-Q274 VanDerWaalsContact O-N 3.1Å; Q274-H276 VanDerWaalsContact C-N 3.33Å; Q274-H276 PolarHBondContact O-N 3.02Å; Q274-L277 PolarHBondContact O-N 2.99Å; Q274-I278 VanDerWaalsContact O-CG1 3.31Å; Q274-I278 WeakPolarHBondContact O-CG1 3.34Å; Q274-I278 PolarHBondContact O-N 3.21Å
275K95.5Very high94.6Very high16 Ų1661.9 Ų61.97%0.0730%0.304CS..Hα-helixtrans-58.6-44.1175.9-68.7179.4166.1166.80112S256 S258 D271 L272 Q273 L277 I278 Q279S256-K275 VanDerWaalsContact O-CD 3.3Å; S256-K275 WeakPolarHBondContact O-CD 3.31Å; S258-K275 PolarHBondContact O-NZ 3.32Å; S258-K275 PolarHBondContact OG-NZ 3.02Å; D271-K275 WeakPolarHBondContact O-CG 3.41Å; D271-K275 PolarHBondContact O-N 2.84Å; D271-K275 WeakPolarHBondContact OD1-CE 3.45Å; D271-K275 IonicContact OD1-NZ 3.93Å; D271-K275 WeakPolarHBondContact OD2-CE 3.22Å; D271-K275 IonicContact OD2-NZ 3.18Å; D271-K275 PolarHBondContact OD2-NZ 2.77Å; L272-K275 PolarHBondContact O-N 3.16Å; Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 3.38Å; K275-L277 PolarHBondContact O-N 2.92Å; K275-I278 PolarHBondContact O-N 3.31Å; K275-Q279 WeakPolarHBondContact O-CG 3.36Å; K275-Q279 PolarHBondContact O-N 2.92Å
276H95.1Very high94.9Very high111 Ų11158 Ų5851%0.51427%0.272SS..Hα-helixtrans-62-42.9176.2-17976.6000112.6L272 Q273 Q274 Q279 N280L272-H276 PolarHBondContact O-N 3.44Å; Q273-H276 PolarHBondContact O-N 3.21Å; Q274-H276 VanDerWaalsContact C-N 3.33Å; Q274-H276 PolarHBondContact O-N 3.02Å; H276-Q279 PolarHBondContact O-N 3.35Å; H276-N280 PolarHBondContact CE1-ND2 3.37Å; H276-N280 VanDerWaalsContact CE1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-ND2 3.41Å; H276-N280 VanDerWaalsContact ND1-ND2 3.16Å; H276-N280 WeakPolarHBondContact O-CB 3.47Å; H276-N280 PolarHBondContact O-N 3.11Å; H276-N280 PolarHBondContact O-ND2 3.15Å; H276-N280 VanDerWaalsContact O-ND2 3.09Å
277L95.8Very high95.1Very high21 Ų2149.7 Ų49.711%0.1124%0.236CC..Hα-helixtrans-62.6-45.4176.6-68.3176.7000111.4Y155 F157 Q273 Q274 K275 Q279 N280 V281 L282Y155-L277 VanDerWaalsContact O-CD1 3.32Å; Y155-L277 WeakPolarHBondContact O-CD1 3.36Å; Y155-L277 WeakPolarHBondContact O-CD2 3.38Å; F157-L277 HydrophobicContact CD1-CB 4.09Å; F157-L277 HydrophobicContact CD1-CD1 4.48Å; F157-L277 HydrophobicContact CD2-CD1 4.4Å; F157-L277 HydrophobicContact CE1-CB 3.57Å; F157-L277 HydrophobicContact CE2-CB 4.07Å; F157-L277 HydrophobicContact CG-CD1 4.34Å; F157-L277 HydrophobicContact CZ-CB 3.57Å; F157-L277 WeakPolarHBondContact CZ-O 3.5Å; Q273-L277 WeakPolarHBondContact O-CG 3.21Å; Q273-L277 PolarHBondContact O-N 3Å; Q274-L277 PolarHBondContact O-N 2.99Å; K275-L277 PolarHBondContact O-N 2.92Å; L277-Q279 VanDerWaalsContact C-N 3.32Å; L277-Q279 PolarHBondContact O-N 3.3Å; L277-N280 PolarHBondContact O-N 3.49Å; L277-V281 HydrophobicContact CD2-CB 4.38Å; L277-V281 HydrophobicContact CD2-CG2 3.81Å; L277-V281 WeakPolarHBondContact O-CA 3.18Å; L277-V281 VanDerWaalsContact O-CB 3.3Å; L277-V281 WeakPolarHBondContact O-CB 3.47Å; L277-V281 PolarHBondContact O-N 3.33Å; L277-L282 PolarHBondContact O-N 3.2Å
278I95.8Very high95.2Very high20 Ų2045.8 Ų45.810%0.10322%0.216CC..Hα-helixtrans-58.7-43.4176.7-68.7165.3000111F157 L252 M253 Q274 K275 L282 P283F157-I278 HydrophobicContact CE1-CG1 4.13Å; L252-I278 HydrophobicContact CB-CG2 4.18Å; M253-I278 HydrophobicContact SD-CG2 4.46Å; Q274-I278 VanDerWaalsContact O-CG1 3.31Å; Q274-I278 WeakPolarHBondContact O-CG1 3.34Å; Q274-I278 PolarHBondContact O-N 3.21Å; K275-I278 PolarHBondContact O-N 3.31Å; I278-L282 HydrophobicContact CG2-CD2 4.31Å; I278-L282 WeakPolarHBondContact O-CB 3.46Å; I278-P283 WeakPolarHBondContact O-CD 3.5Å
279Q94.5Very high95.4Very high54 Ų5440.4 Ų40.425%0.25219%0.192SC..Hα-helixtrans-75.7-35.3-176.5-68.4170.213.900113.7M253 S256 K275 H276 L277M253-Q279 HydrophobicContact CE-CB 4.37Å; M253-Q279 HydrophobicContact CE-CG 4.25Å; M253-Q279 HydrophobicContact SD-CB 4.35Å; M253-Q279 HydrophobicContact SD-CG 3.92Å; S256-Q279 PolarHBondContact O-NE2 3.48Å; S256-Q279 VanDerWaalsContact O-NE2 3.14Å; S256-Q279 VanDerWaalsContact OG-CG 3.24Å; S256-Q279 WeakPolarHBondContact OG-CG 3.45Å; S256-Q279 PolarHBondContact OG-NE2 3Å; K275-Q279 WeakPolarHBondContact O-CG 3.36Å; K275-Q279 PolarHBondContact O-N 2.92Å; H276-Q279 PolarHBondContact O-N 3.35Å; L277-Q279 VanDerWaalsContact C-N 3.32Å; L277-Q279 PolarHBondContact O-N 3.3Å
280N94.1Very high95.5Very high48 Ų4834.6 Ų34.626%0.25717%0.168SC..Hα-helixtrans-114.7-20.5-165.8-63.3-70.8000114.9H276 L277 K284 N329H276-N280 PolarHBondContact CE1-ND2 3.37Å; H276-N280 VanDerWaalsContact CE1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-ND2 3.41Å; H276-N280 VanDerWaalsContact ND1-ND2 3.16Å; H276-N280 WeakPolarHBondContact O-CB 3.47Å; H276-N280 PolarHBondContact O-N 3.11Å; H276-N280 PolarHBondContact O-ND2 3.15Å; H276-N280 VanDerWaalsContact O-ND2 3.09Å; L277-N280 PolarHBondContact O-N 3.49Å; N280-K284 PolarHBondContact O-NZ 3.29Å; N280-N329 PolarHBondContact OD1-ND2 3.24Å
281V95.5Very high95.5Very high8 Ų830.1 Ų30.15%0.04815%0.148CC..THydrogen-bonded Turntrans-113.1-44.7-175-175.10000111.2P38 Y155 F157 L277 K284 L285P38-V281 HydrophobicContact CG-CG2 4.4Å; Y155-V281 HydrophobicContact CD1-CG1 3.64Å; Y155-V281 HydrophobicContact CD1-CG2 4.31Å; Y155-V281 HydrophobicContact CD2-CG1 3.76Å; Y155-V281 HydrophobicContact CE1-CG1 3.93Å; Y155-V281 HydrophobicContact CE2-CG1 4.04Å; Y155-V281 HydrophobicContact CG-CG1 3.56Å; F157-V281 HydrophobicContact CE2-CB 4.15Å; F157-V281 HydrophobicContact CE2-CG1 3.9Å; F157-V281 HydrophobicContact CZ-CB 4.1Å; F157-V281 HydrophobicContact CZ-CG1 4.31Å; L277-V281 HydrophobicContact CD2-CB 4.38Å; L277-V281 HydrophobicContact CD2-CG2 3.81Å; L277-V281 WeakPolarHBondContact O-CA 3.18Å; L277-V281 VanDerWaalsContact O-CB 3.3Å; L277-V281 WeakPolarHBondContact O-CB 3.47Å; L277-V281 PolarHBondContact O-N 3.33Å; V281-K284 WeakPolarHBondContact O-CA 3.45Å; V281-K284 WeakPolarHBondContact O-CB 3.43Å; V281-K284 PolarHBondContact O-N 3.41Å; V281-L285 HydrophobicContact CG1-CD1 4.03Å; V281-L285 HydrophobicContact CG1-CG 4.13Å; V281-L285 PolarHBondContact O-N 3.35Å
282L96.2Very high95.6Very high3 Ų328.7 Ų28.72%0.01614%0.141CC..Hα-helixtrans-55.8-44.8-177.3-179.964.2000113.1F157 L162 L165 L252 L277 I278 K284 L285 L286F157-L282 HydrophobicContact CE1-CB 4.2Å; F157-L282 HydrophobicContact CZ-CB 3.91Å; L162-L282 HydrophobicContact CD1-CD1 3.83Å; L162-L282 HydrophobicContact CD1-CD2 4.39Å; L165-L282 HydrophobicContact CD1-CD2 4.5Å; L252-L282 HydrophobicContact CD1-CD2 4.25Å; L277-L282 PolarHBondContact O-N 3.2Å; I278-L282 HydrophobicContact CG2-CD2 4.31Å; I278-L282 WeakPolarHBondContact O-CB 3.46Å; L282-K284 PolarHBondContact O-N 3.21Å; L282-K284 VanDerWaalsContact O-N 3.16Å; L282-L285 PolarHBondContact O-N 2.74Å; L282-L285 VanDerWaalsContact O-N 3.1Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.03Å; L282-L286 HydrophobicContact CG-CD1 3.97Å; L282-L286 HydrophobicContact CG-CG 4.35Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.09Å
283P95.8Very high95.6Very high2 Ų223.8 Ų23.81%0.01312%0.115CC..Hα-helixtrans-58.9-31.8177-26.736.6000113.2I278 L287 N329I278-P283 WeakPolarHBondContact O-CD 3.5Å; P283-L287 PolarHBondContact O-N 2.97Å; P283-N329 HydrophobicContact CB-CB 4.32Å; P283-N329 WeakPolarHBondContact CB-O 3.2Å; P283-N329 HydrophobicContact CG-CB 4.15Å; P283-N329 WeakPolarHBondContact CG-O 3.43Å
284K95.5Very high95.6Very high36 Ų3622.9 Ų22.916%0.15711%0.11CC..Hα-helixtrans-77.2-36.8177.7-61.8178.7177.173.60112.1L36 L37 P38 N280 V281 L282 L286 L287 N329L36-K284 WeakPolarHBondContact O-CD 3.48Å; L37-K284 HydrophobicContact CD2-CB 4.1Å; P38-K284 HydrophobicContact CG-CD 3.92Å; N280-K284 PolarHBondContact O-NZ 3.29Å; V281-K284 WeakPolarHBondContact O-CA 3.45Å; V281-K284 WeakPolarHBondContact O-CB 3.43Å; V281-K284 PolarHBondContact O-N 3.41Å; L282-K284 PolarHBondContact O-N 3.21Å; L282-K284 VanDerWaalsContact O-N 3.16Å; K284-L286 PolarHBondContact O-N 3.29Å; K284-L287 HydrophobicContact CB-CD1 4.39Å; K284-L287 WeakPolarHBondContact O-CB 3.3Å; K284-L287 WeakPolarHBondContact O-CD1 3.33Å; K284-L287 WeakPolarHBondContact O-CG 3.5Å; K284-L287 PolarHBondContact O-N 2.7Å; K284-N329 PolarHBondContact NZ-OD1 3.37Å
285L96.6Very high95.6Very high12 Ų1222 Ų226%0.06311%0.105CC..Hα-helixtrans-65.1-30.6172.3-69.7177.2000112.2L37 L151 Y155 F157 V281 L282 P288L37-L285 HydrophobicContact CD2-CD2 3.82Å; L37-L285 HydrophobicContact CD2-CG 4.48Å; L151-L285 HydrophobicContact CB-CD2 3.95Å; L151-L285 HydrophobicContact CD1-CD2 4.47Å; Y155-L285 HydrophobicContact CD2-CD1 4.25Å; Y155-L285 HydrophobicContact CD2-CD2 4.14Å; Y155-L285 HydrophobicContact CE2-CD2 3.98Å; F157-L285 HydrophobicContact CD2-CD1 4.21Å; F157-L285 HydrophobicContact CE2-CD1 3.58Å; F157-L285 HydrophobicContact CZ-CD1 4.29Å; V281-L285 HydrophobicContact CG1-CD1 4.03Å; V281-L285 HydrophobicContact CG1-CG 4.13Å; V281-L285 PolarHBondContact O-N 3.35Å; L282-L285 PolarHBondContact O-N 2.74Å; L282-L285 VanDerWaalsContact O-N 3.1Å; L285-P288 VanDerWaalsContact O-CD 3.28Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å
286L97.2Very high95.6Very high2 Ų221.2 Ų21.21%0.0110%0.102CC..THydrogen-bonded Turntrans-85.4-2.4178.9-67.9-179.9000114.7L165 F169 V245 L282 K284 P288 L289 P332L165-L286 HydrophobicContact CD2-CD2 3.96Å; F169-L286 HydrophobicContact CD1-CD2 3.81Å; F169-L286 HydrophobicContact CE1-CD2 3.89Å; F169-L286 HydrophobicContact CG-CD2 4.28Å; F169-L286 HydrophobicContact CZ-CD2 4.43Å; V245-L286 HydrophobicContact CG1-CD1 4.31Å; V245-L286 HydrophobicContact CG1-CD2 3.94Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.03Å; L282-L286 HydrophobicContact CG-CD1 3.97Å; L282-L286 HydrophobicContact CG-CG 4.35Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 3.09Å; K284-L286 PolarHBondContact O-N 3.29Å; L286-P288 VanDerWaalsContact C-N 3.27Å; L286-P288 VanDerWaalsContact O-N 3.14Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 3.29Å; L286-P332 WeakPolarHBondContact O-CG 3.1Å
287L96.6Very high95.6Very high0 Ų017 Ų170%08%0.083CC..THydrogen-bonded Turntrans-50.2-36.4177.7-74.5171.7000115.1C33 L36 P283 K284 L289 L290 P291 L322 N325 A326C33-L287 HydrophobicContact CB-CB 4.06Å; L36-L287 HydrophobicContact CB-CD1 3.78Å; L36-L287 HydrophobicContact CD1-CD1 3.83Å; L36-L287 HydrophobicContact CG-CD1 4.47Å; P283-L287 PolarHBondContact O-N 2.97Å; K284-L287 HydrophobicContact CB-CD1 4.39Å; K284-L287 WeakPolarHBondContact O-CB 3.3Å; K284-L287 WeakPolarHBondContact O-CD1 3.33Å; K284-L287 WeakPolarHBondContact O-CG 3.5Å; K284-L287 PolarHBondContact O-N 2.7Å; L287-L289 PolarHBondContact O-N 3.37Å; L287-L290 HydrophobicContact CD2-CD1 3.94Å; L287-L290 WeakPolarHBondContact O-CB 3.47Å; L287-L290 PolarHBondContact O-N 2.97Å; L287-P291 WeakPolarHBondContact O-CD 3.47Å; L287-L322 HydrophobicContact CB-CD2 4.08Å; L287-L322 HydrophobicContact CD2-CD2 4.23Å; L287-N325 HydrophobicContact CD2-CB 3.95Å; L287-A326 HydrophobicContact CD1-CB 3.98Å; L287-A326 HydrophobicContact CD2-CB 4.36Å
288P96.3Very high95.5Very high4 Ų417.3 Ų17.33%0.0268%0.084CC..THydrogen-bonded Turntrans-62.4-13.2176.6-19.130.2000114.4N30 C33 F169 L285 L286 L290 P291 I292N30-P288 WeakPolarHBondContact OD1-CB 3.33Å; N30-P288 VanDerWaalsContact OD1-CG 3.24Å; N30-P288 WeakPolarHBondContact OD1-CG 3.26Å; C33-P288 HydrophobicContact CB-CG 4.03Å; F169-P288 HydrophobicContact CE2-CB 4.42Å; F169-P288 HydrophobicContact CZ-CB 3.86Å; F169-P288 HydrophobicContact CZ-CG 4.11Å; L285-P288 VanDerWaalsContact O-CD 3.28Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å; L286-P288 VanDerWaalsContact C-N 3.27Å; L286-P288 VanDerWaalsContact O-N 3.14Å; P288-L290 VanDerWaalsContact C-N 3.26Å; P288-L290 PolarHBondContact O-N 3.29Å; P288-P291 VanDerWaalsContact O-CD 3.29Å; P288-P291 WeakPolarHBondContact O-CD 3.47Å; P288-P291 WeakPolarHBondContact O-CG 3.49Å; P288-I292 VanDerWaalsContact O-CD1 3.28Å; P288-I292 WeakPolarHBondContact O-CD1 3.39Å; P288-I292 VanDerWaalsContact O-CG1 3.31Å; P288-I292 WeakPolarHBondContact O-CG1 3.32Å
289L96Very high95.5Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-66.7-26.8171.8-167.564.6000112.5F169 A242 V245 L286 L287 I292 N293 P332F169-L289 HydrophobicContact CD2-CD1 4.1Å; F169-L289 HydrophobicContact CE2-CB 3.95Å; F169-L289 HydrophobicContact CE2-CD1 4.19Å; A242-L289 HydrophobicContact CB-CD1 3.96Å; V245-L289 HydrophobicContact CB-CD2 3.98Å; V245-L289 HydrophobicContact CG1-CD2 3.72Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 3.29Å; L287-L289 PolarHBondContact O-N 3.37Å; L289-I292 PolarHBondContact O-N 3.48Å; L289-N293 WeakPolarHBondContact O-CB 3.43Å; L289-N293 PolarHBondContact O-N 2.96Å; L289-N293 PolarHBondContact O-OD1 2.94Å; L289-P332 HydrophobicContact CB-CB 4.12Å; L289-P332 HydrophobicContact CB-CG 4.15Å; L289-P332 HydrophobicContact CD2-CB 4.15Å; L289-P332 HydrophobicContact CG-CB 4.34Å
290L95.1Very high95.5Very high18 Ų1814.8 Ų14.89%0.0948%0.076CC..Hα-helixtrans-61.4-56.5178.6-73.9165000113.3L287 P288 I292 N293 K294 L322 N325 P332L287-L290 HydrophobicContact CD2-CD1 3.94Å; L287-L290 WeakPolarHBondContact O-CB 3.47Å; L287-L290 PolarHBondContact O-N 2.97Å; P288-L290 VanDerWaalsContact C-N 3.26Å; P288-L290 PolarHBondContact O-N 3.29Å; L290-I292 VanDerWaalsContact C-N 3.26Å; L290-I292 PolarHBondContact O-N 2.89Å; L290-N293 PolarHBondContact O-N 3.13Å; L290-K294 WeakPolarHBondContact O-CB 3.45Å; L290-K294 VanDerWaalsContact O-CG 3.28Å; L290-K294 WeakPolarHBondContact O-CG 3.41Å; L290-K294 PolarHBondContact O-N 2.84Å; L290-L322 HydrophobicContact CB-CD2 4.23Å; L290-L322 HydrophobicContact CD1-CD2 3.82Å; L290-N325 HydrophobicContact CD1-CB 3.81Å; L290-P332 HydrophobicContact CD1-CG 4.38Å; L290-P332 HydrophobicContact CD2-CB 3.75Å; L290-P332 HydrophobicContact CD2-CG 4.29Å; L290-P332 HydrophobicContact CG-CB 3.79Å; L290-P332 HydrophobicContact CG-CG 3.85Å
291P95.4Very high95.4Very high1 Ų119.5 Ų19.51%0.0069%0.092CC..Hα-helixtrans-62.7-33.5176.421-30.4000112.6E29 L287 P288 K294 Y295 L318E29-P291 HydrophobicContact CB-CB 4.43Å; E29-P291 HydrophobicContact CB-CG 4.11Å; E29-P291 VanDerWaalsContact CD-CB 3.46Å; E29-P291 HydrophobicContact CG-CB 4.11Å; E29-P291 HydrophobicContact CG-CG 4.33Å; E29-P291 VanDerWaalsContact OE1-CB 3.3Å; E29-P291 WeakPolarHBondContact OE1-CB 3.38Å; L287-P291 WeakPolarHBondContact O-CD 3.47Å; P288-P291 VanDerWaalsContact O-CD 3.29Å; P288-P291 WeakPolarHBondContact O-CD 3.47Å; P288-P291 WeakPolarHBondContact O-CG 3.49Å; P291-K294 PolarHBondContact O-N 3.44Å; P291-Y295 WeakPolarHBondContact O-CB 3.37Å; P291-Y295 PolarHBondContact O-N 3.15Å; P291-L318 HydrophobicContact CB-CD1 4.03Å; P291-L318 HydrophobicContact CB-CD2 4.21Å; P291-L318 HydrophobicContact CG-CD1 4.31Å
292I95.7Very high95.3Very high3 Ų323.3 Ų23.32%0.01512%0.119CC..Hα-helixtrans-59.5-52.7174.4-68.3165.4000110.7F169 A172 Q173 A176 P288 L289 L290 K294 Y295 L296F169-I292 HydrophobicContact CE2-CD1 4.04Å; A172-I292 HydrophobicContact CB-CG2 4.43Å; Q173-I292 HydrophobicContact CB-CD1 3.64Å; Q173-I292 HydrophobicContact CG-CD1 4.04Å; A176-I292 HydrophobicContact CB-CG2 3.99Å; P288-I292 VanDerWaalsContact O-CD1 3.28Å; P288-I292 WeakPolarHBondContact O-CD1 3.39Å; P288-I292 VanDerWaalsContact O-CG1 3.31Å; P288-I292 WeakPolarHBondContact O-CG1 3.32Å; L289-I292 PolarHBondContact O-N 3.48Å; L290-I292 VanDerWaalsContact C-N 3.26Å; L290-I292 PolarHBondContact O-N 2.89Å; I292-K294 VanDerWaalsContact C-N 3.29Å; I292-K294 PolarHBondContact O-N 3.04Å; I292-Y295 PolarHBondContact O-N 3.19Å; I292-L296 HydrophobicContact CG2-CD1 4Å; I292-L296 WeakPolarHBondContact O-CG 3.34Å; I292-L296 PolarHBondContact O-N 3.22Å
293N95Very high95.2Very high7 Ų723.3 Ų23.34%0.03712%0.119CC..Hα-helixtrans-62.1-40.1-180-68.7-4.4000111.2A242 L289 L290 Y295 L296 D297 K333 P335A242-N293 VanDerWaalsContact CB-OD1 3.23Å; A242-N293 WeakPolarHBondContact CB-OD1 3.5Å; L289-N293 WeakPolarHBondContact O-CB 3.43Å; L289-N293 PolarHBondContact O-N 2.96Å; L289-N293 PolarHBondContact O-OD1 2.94Å; L290-N293 PolarHBondContact O-N 3.13Å; N293-Y295 PolarHBondContact O-N 2.76Å; N293-L296 PolarHBondContact O-N 3.05Å; N293-D297 WeakPolarHBondContact O-CB 3.24Å; N293-D297 PolarHBondContact O-N 3.25Å; N293-K333 PolarHBondContact ND2-O 3Å; N293-P335 HydrophobicContact CB-CB 4.16Å
294K94Very high95.1Very high88 Ų8827.9 Ų27.938%0.38314%0.143SC..Hα-helixtrans-63.1-41.1177.2-73.2-69.4-178-173.90112.9L290 P291 I292 F298L290-K294 WeakPolarHBondContact O-CB 3.45Å; L290-K294 VanDerWaalsContact O-CG 3.28Å; L290-K294 WeakPolarHBondContact O-CG 3.41Å; L290-K294 PolarHBondContact O-N 2.84Å; P291-K294 PolarHBondContact O-N 3.44Å; I292-K294 VanDerWaalsContact C-N 3.29Å; I292-K294 PolarHBondContact O-N 3.04Å; K294-F298 WeakPolarHBondContact O-CB 3.32Å; K294-F298 PolarHBondContact O-N 3.08Å
295Y95.9Very high95.1Very high8 Ų827.7 Ų27.73%0.03114%0.143CC..Hα-helixtrans-65.7-45.8176.6175-106.4000111.7A176 L179 R180 P291 I292 N293 F298 L299 N310 H313A176-Y295 HydrophobicContact CB-CD1 4.06Å; L179-Y295 HydrophobicContact CB-CE1 3.91Å; R180-Y295 WeakPolarHBondContact CA-OH 3.35Å; R180-Y295 HydrophobicContact CB-CE1 3.9Å; R180-Y295 HydrophobicContact CB-CE2 3.94Å; R180-Y295 PolarHBondContact N-OH 3.43Å; P291-Y295 WeakPolarHBondContact O-CB 3.37Å; P291-Y295 PolarHBondContact O-N 3.15Å; I292-Y295 PolarHBondContact O-N 3.19Å; N293-Y295 PolarHBondContact O-N 2.76Å; Y295-F298 HydrophobicContact CD2-CD1 4.47Å; Y295-F298 HydrophobicContact CE2-CD1 4.5Å; Y295-F298 WeakPolarHBondContact O-CB 3.31Å; Y295-F298 PolarHBondContact O-N 3.39Å; Y295-L299 HydrophobicContact CD1-CD1 4.36Å; Y295-L299 HydrophobicContact CE1-CD1 3.63Å; Y295-L299 HydrophobicContact CE1-CG 4.19Å; Y295-L299 HydrophobicContact CE2-CD2 4.29Å; Y295-L299 HydrophobicContact CE2-CG 4.28Å; Y295-L299 PolarHBondContact O-N 3.13Å; Y295-N310 WeakPolarHBondContact CE2-OD1 3.25Å; Y295-N310 PolarHBondContact OH-ND2 3.22Å; Y295-N310 PolarHBondContact OH-OD1 3.3Å; Y295-H313 AromaticContact CD2-CG 3.96Å; Y295-H313 AromaticContact CD2-ND1 3.9Å
296L95.5Very high95Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-64.5-43.5178.1-64.4172.5000111.5A176 L179 A235 H239 I292 N293 F298 L299 G300A176-L296 HydrophobicContact CB-CD2 4.43Å; L179-L296 HydrophobicContact CD1-CD2 4.15Å; A235-L296 HydrophobicContact CB-CD2 4.41Å; H239-L296 WeakPolarHBondContact CE1-CB 3.3Å; H239-L296 WeakPolarHBondContact NE2-CB 3.3Å; H239-L296 PolarHBondContact NE2-O 2.92Å; I292-L296 HydrophobicContact CG2-CD1 4Å; I292-L296 WeakPolarHBondContact O-CG 3.34Å; I292-L296 PolarHBondContact O-N 3.22Å; N293-L296 PolarHBondContact O-N 3.05Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.5Å; L296-L299 WeakPolarHBondContact O-CB 3.42Å; L296-L299 PolarHBondContact O-N 3.27Å; L296-G300 PolarHBondContact O-N 3.14Å
297D94.3Very high95Very high23 Ų2327.5 Ų27.512%0.12314%0.141CC..Hα-helixtrans-59.6-39.9173.3-74-17.8000111.9H239 N293 G300 Y301 P335 K336 A337H239-D297 IonicContact CE1-OD1 2.71Å; N293-D297 WeakPolarHBondContact O-CB 3.24Å; N293-D297 PolarHBondContact O-N 3.25Å; D297-G300 PolarHBondContact O-N 3.3Å; D297-Y301 HydrophobicContact CB-CD2 4.23Å; D297-Y301 HydrophobicContact CB-CE2 4.47Å; D297-Y301 WeakPolarHBondContact O-CB 3.2Å; D297-Y301 WeakPolarHBondContact O-CD2 3.35Å; D297-Y301 PolarHBondContact O-N 3.04Å; D297-P335 WeakPolarHBondContact OD1-CB 3.44Å; D297-K336 PolarHBondContact OD1-N 3.04Å; D297-A337 PolarHBondContact OD1-N 3.14Å; D297-A337 VanDerWaalsContact OD1-N 3.15Å
298F95.4Very high94.9Very high27 Ų2728 Ų2812%0.11814%0.143CC..Hα-helixtrans-61.4-42.9176159.7-93.3000111.8K294 Y295 L296 G300 S302 A303 L309 K312 H313K294-F298 WeakPolarHBondContact O-CB 3.32Å; K294-F298 PolarHBondContact O-N 3.08Å; Y295-F298 HydrophobicContact CD2-CD1 4.47Å; Y295-F298 HydrophobicContact CE2-CD1 4.5Å; Y295-F298 WeakPolarHBondContact O-CB 3.31Å; Y295-F298 PolarHBondContact O-N 3.39Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 3.5Å; F298-G300 VanDerWaalsContact C-N 3.3Å; F298-G300 PolarHBondContact O-N 2.91Å; F298-S302 WeakPolarHBondContact O-CA 3.44Å; F298-S302 WeakPolarHBondContact O-CB 3.04Å; F298-S302 PolarHBondContact O-N 3.24Å; F298-A303 HydrophobicContact CD1-CB 4.44Å; F298-A303 HydrophobicContact CE1-CB 3.85Å; F298-A303 HydrophobicContact CZ-CB 3.95Å; F298-A303 PolarHBondContact O-N 3.39Å; F298-L309 WeakPolarHBondContact CZ-O 3.27Å; F298-K312 HydrophobicContact CE2-CB 4.29Å; F298-K312 HydrophobicContact CZ-CB 4.18Å; F298-H313 HydrophobicContact CD1-CB 3.78Å; F298-H313 AromaticContact CD1-CD2 3.84Å; F298-H313 HydrophobicContact CD2-CB 4.28Å; F298-H313 HydrophobicContact CE1-CB 3.67Å; F298-H313 HydrophobicContact CE2-CB 4.17Å; F298-H313 HydrophobicContact CG-CB 4.1Å; F298-H313 AromaticContact CG-CD2 3.56Å; F298-H313 HydrophobicContact CZ-CB 3.87Å
299L95.4Very high94.8Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-59.1-43.9178.7-72.5-179.6000111.4L179 A235 Y295 L296 A303 D304 F305 L307L179-L299 HydrophobicContact CB-CD1 4.26Å; L179-L299 HydrophobicContact CD1-CD1 3.76Å; A235-L299 HydrophobicContact CB-CD1 4.46Å; Y295-L299 HydrophobicContact CD1-CD1 4.36Å; Y295-L299 HydrophobicContact CE1-CD1 3.63Å; Y295-L299 HydrophobicContact CE1-CG 4.19Å; Y295-L299 HydrophobicContact CE2-CD2 4.29Å; Y295-L299 HydrophobicContact CE2-CG 4.28Å; Y295-L299 PolarHBondContact O-N 3.13Å; L296-L299 WeakPolarHBondContact O-CB 3.42Å; L296-L299 PolarHBondContact O-N 3.27Å; L299-A303 HydrophobicContact CD2-CB 4.35Å; L299-D304 PolarHBondContact O-N 3.35Å; L299-F305 HydrophobicContact CB-CD1 4.13Å; L299-F305 HydrophobicContact CB-CE1 4.44Å; L299-F305 PolarHBondContact O-N 3.14Å; L299-L307 HydrophobicContact CD1-CD2 4.14Å; L299-L307 HydrophobicContact CD2-CD2 3.75Å
300G93.4Very high94.7Very high20 Ų2030.2 Ų30.221%0.20616%0.155CC..Hα-helixtrans-71.5-55.4178.600000113.5L296 D297 F298L296-G300 PolarHBondContact O-N 3.14Å; D297-G300 PolarHBondContact O-N 3.3Å; F298-G300 VanDerWaalsContact C-N 3.3Å; F298-G300 PolarHBondContact O-N 2.91Å
301Y93.3Very high94.5Very high148 Ų14836.4 Ų36.458%0.5818%0.181SC*.Hα-helixtrans-83.9-27.2-169-67-55000115.2D297 K336 A337D297-Y301 HydrophobicContact CB-CD2 4.23Å; D297-Y301 HydrophobicContact CB-CE2 4.47Å; D297-Y301 WeakPolarHBondContact O-CB 3.2Å; D297-Y301 WeakPolarHBondContact O-CD2 3.35Å; D297-Y301 PolarHBondContact O-N 3.04Å; Y301-K336 HydrophobicContact CE2-CB 4.1Å; Y301-K336 PolarHBondContact OH-O 2.79Å; Y301-A337 HydrophobicContact CD2-CB 3.86Å; Y301-A337 HydrophobicContact CE1-CB 4.36Å; Y301-A337 HydrophobicContact CE2-CB 3.5Å; Y301-A337 VanDerWaalsContact CE2-CB 3.5Å; Y301-A337 HydrophobicContact CG-CB 4.46Å; Y301-A337 WeakPolarHBondContact OH-CA 3.19Å; Y301-A337 PolarHBondContact OH-N 2.58Å
302S92.9Very high94.3Very high88 Ų8842.1 Ų42.162%0.61521%0.206SC*.THydrogen-bonded Turntrans-118.4-31.2-169.8-58.60000113.5F298F298-S302 WeakPolarHBondContact O-CA 3.44Å; F298-S302 WeakPolarHBondContact O-CB 3.04Å; F298-S302 PolarHBondContact O-N 3.24Å
303A93.5Very high94.2Very high2 Ų244.3 Ų44.32%0.01722%0.216CC..SBendtrans-99.9-10-178.500000114.1F298 L299 F305 D306 L309F298-A303 HydrophobicContact CD1-CB 4.44Å; F298-A303 HydrophobicContact CE1-CB 3.85Å; F298-A303 HydrophobicContact CZ-CB 3.95Å; F298-A303 PolarHBondContact O-N 3.39Å; L299-A303 HydrophobicContact CD2-CB 4.35Å; A303-F305 PolarHBondContact O-N 3.02Å; A303-D306 WeakPolarHBondContact O-CB 3.47Å; A303-D306 PolarHBondContact O-N 3.07Å; A303-L309 HydrophobicContact CB-CB 4.19Å; A303-L309 HydrophobicContact CB-CD1 4.35Å
304D93.7Very high93.8Very high99 Ų9949.2 Ų49.253%0.52924%0.243SC..THydrogen-bonded Turntrans49.142.3-171.7-179.247.3000111.2K228 L299 D306K228-D304 WeakPolarHBondContact CD-O 3.32Å; K228-D304 IonicContact NZ-OD2 3.85Å; K228-D304 PolarHBondContact NZ-OD2 2.69Å; L299-D304 PolarHBondContact O-N 3.35Å; D304-D306 PolarHBondContact O-N 3.36Å
305F95.4Very high93.4Very high32 Ų3246.6 Ų46.614%0.1423%0.233CC..THydrogen-bonded Turntrans54.622.2-175.4-54.9-77.8000115K228 T231 C232 A235 L299 A303 L307K228-F305 HydrophobicContact CB-CB 4.45Å; K228-F305 WeakPolarHBondContact O-CB 3.38Å; T231-F305 WeakPolarHBondContact CB-O 3.5Å; T231-F305 HydrophobicContact CG2-CB 3.89Å; T231-F305 HydrophobicContact CG2-CD1 4.4Å; T231-F305 WeakPolarHBondContact CG2-O 3.3Å; C232-F305 HydrophobicContact CB-CB 4.46Å; C232-F305 HydrophobicContact CB-CD1 3.94Å; C232-F305 HydrophobicContact CB-CD2 3.73Å; C232-F305 HydrophobicContact CB-CE1 4.05Å; C232-F305 HydrophobicContact CB-CE2 3.83Å; C232-F305 HydrophobicContact CB-CG 3.77Å; C232-F305 HydrophobicContact CB-CZ 3.98Å; C232-F305 VanDerWaalsContact SG-CE2 3.53Å; C232-F305 WeakPolarHBondContact SG-CZ 3.28Å; A235-F305 HydrophobicContact CB-CD1 4.12Å; A235-F305 HydrophobicContact CB-CE1 3.87Å; L299-F305 HydrophobicContact CB-CD1 4.13Å; L299-F305 HydrophobicContact CB-CE1 4.44Å; L299-F305 PolarHBondContact O-N 3.14Å; A303-F305 PolarHBondContact O-N 3.02Å; F305-L307 PolarHBondContact O-N 2.62Å
306D95.3Very high93Very high8 Ų852.1 Ų52.14%0.04326%0.263CS..  trans-84.3100.1171.5-163.6-28.8000110.9F212 A303 D304 R308 L309F212-D306 WeakPolarHBondContact CZ-OD1 3.39Å; A303-D306 WeakPolarHBondContact O-CB 3.47Å; A303-D306 PolarHBondContact O-N 3.07Å; D304-D306 PolarHBondContact O-N 3.36Å; D306-R308 PolarHBondContact O-N 3.35Å; D306-R308 VanDerWaalsContact OD1-CB 3.23Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 3.59Å; D306-R308 PolarHBondContact OD1-N 3.27Å; D306-R308 IonicContact OD1-NE 2.79Å; D306-R308 PolarHBondContact OD1-NE 2.97Å; D306-R308 IonicContact OD1-NH2 2.97Å; D306-R308 IonicContact OD2-CZ 3.94Å; D306-R308 IonicContact OD2-NE 3.61Å; D306-R308 PolarHBondContact OD2-NE 3.08Å; D306-R308 IonicContact OD2-NH2 3.06Å; D306-R308 PolarHBondContact OD2-NH2 3.2Å; D306-L309 HydrophobicContact CB-CD1 4.08Å; D306-L309 HydrophobicContact CB-CG 4.1Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.46Å
307L96.4Very high92.9Very high1 Ų157 Ų571%0.00529%0.288CS..G310 helixtrans-63.8-22-178.7-64.3170000113.4L179 V183 F194 L213 T231 L299 F305 L309 N310L179-L307 HydrophobicContact CB-CD2 4.15Å; L179-L307 HydrophobicContact CD2-CD1 4.15Å; L179-L307 HydrophobicContact CD2-CD2 4.2Å; V183-L307 HydrophobicContact CG2-CB 4.27Å; V183-L307 WeakPolarHBondContact CG2-O 3.42Å; F194-L307 HydrophobicContact CE2-CD1 4.11Å; F194-L307 HydrophobicContact CZ-CD1 3.5Å; L213-L307 HydrophobicContact CD2-CB 3.82Å; L213-L307 HydrophobicContact CD2-CD1 4.13Å; T231-L307 HydrophobicContact CG2-CD1 3.79Å; T231-L307 HydrophobicContact CG2-CD2 3.76Å; T231-L307 HydrophobicContact CG2-CG 3.65Å; L299-L307 HydrophobicContact CD1-CD2 4.14Å; L299-L307 HydrophobicContact CD2-CD2 3.75Å; F305-L307 PolarHBondContact O-N 2.62Å; L307-L309 PolarHBondContact O-N 3.16Å; L307-L309 VanDerWaalsContact O-N 3.13Å; L307-N310 VanDerWaalsContact O-CB 3.24Å; L307-N310 WeakPolarHBondContact O-CB 3.33Å; L307-N310 PolarHBondContact O-N 3.44Å; L307-N310 PolarHBondContact O-ND2 3.23Å
308R95.2Very high92.8Very high10 Ų1056.3 Ų56.34%0.03828%0.284CS..G310 helixtrans-61.9-21.2174.4-55.6173.6-72.4-171.2-6.8111.3F212 N215 D216 P217 M219 D224 D306 N310 F311F212-R308 HydrophobicContact CE1-CG 4.19Å; F212-R308 VanDerWaalsContact CE2-NH2 3.27Å; F212-R308 HydrophobicContact CZ-CG 4.38Å; F212-R308 WeakPolarHBondContact O-CD 3.4Å; N215-R308 VanDerWaalsContact O-CD 3.24Å; N215-R308 WeakPolarHBondContact O-CD 3.37Å; D216-R308 PolarHBondContact O-NH1 3.41Å; D216-R308 VanDerWaalsContact O-NH1 3.11Å; P217-R308 HydrophobicContact CB-CB 4.02Å; P217-R308 HydrophobicContact CG-CB 3.77Å; M219-R308 PolarHBondContact O-NH1 2.86Å; D224-R308 IonicContact OD2-CZ 2.69Å; D224-R308 IonicContact OD2-NH2 3.87Å; D224-R308 PolarHBondContact OD2-NH2 2.89Å; D306-R308 PolarHBondContact O-N 3.35Å; D306-R308 VanDerWaalsContact OD1-CB 3.23Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 3.59Å; D306-R308 PolarHBondContact OD1-N 3.27Å; D306-R308 IonicContact OD1-NE 2.79Å; D306-R308 PolarHBondContact OD1-NE 2.97Å; D306-R308 IonicContact OD1-NH2 2.97Å; D306-R308 IonicContact OD2-CZ 3.94Å; D306-R308 IonicContact OD2-NE 3.61Å; D306-R308 PolarHBondContact OD2-NE 3.08Å; D306-R308 IonicContact OD2-NH2 3.06Å; D306-R308 PolarHBondContact OD2-NH2 3.2Å; R308-N310 VanDerWaalsContact C-N 3.3Å; R308-N310 PolarHBondContact O-N 3.2Å; R308-F311 WeakPolarHBondContact O-CD1 3.43Å; R308-F311 WeakPolarHBondContact O-CE1 3.27Å
309L94.9Very high92.7Very high26 Ų2657.2 Ų57.214%0.13629%0.293CS..G310 helixtrans-84.65.4175.6-57.4-177.8000113.8P217 F298 A303 D306 L307 F311 K312P217-L309 HydrophobicContact CB-CD2 3.66Å; P217-L309 HydrophobicContact CG-CD2 4.08Å; F298-L309 WeakPolarHBondContact CZ-O 3.27Å; A303-L309 HydrophobicContact CB-CB 4.19Å; A303-L309 HydrophobicContact CB-CD1 4.35Å; D306-L309 HydrophobicContact CB-CD1 4.08Å; D306-L309 HydrophobicContact CB-CG 4.1Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.46Å; L307-L309 PolarHBondContact O-N 3.16Å; L307-L309 VanDerWaalsContact O-N 3.13Å; L309-F311 HydrophobicContact CD2-CE1 4.15Å; L309-F311 HydrophobicContact CD2-CZ 4.4Å; L309-F311 PolarHBondContact O-N 2.88Å; L309-K312 HydrophobicContact CB-CD 4.37Å; L309-K312 HydrophobicContact CD2-CD 4.05Å; L309-K312 WeakPolarHBondContact O-CB 3.48Å; L309-K312 PolarHBondContact O-N 3.07Å
310N93.2Very high92.6Very high25 Ų2563 Ų6313%0.13432%0.323CS..G310 helixtrans-52.2-31.6177.2-81.9-20000113L179 R180 Y295 L307 R308 K312 H313L179-N310 PolarHBondContact O-ND2 3.41Å; R180-N310 PolarHBondContact O-ND2 3.07Å; Y295-N310 WeakPolarHBondContact CE2-OD1 3.25Å; Y295-N310 PolarHBondContact OH-ND2 3.22Å; Y295-N310 PolarHBondContact OH-OD1 3.3Å; L307-N310 VanDerWaalsContact O-CB 3.24Å; L307-N310 WeakPolarHBondContact O-CB 3.33Å; L307-N310 PolarHBondContact O-N 3.44Å; L307-N310 PolarHBondContact O-ND2 3.23Å; R308-N310 VanDerWaalsContact C-N 3.3Å; R308-N310 PolarHBondContact O-N 3.2Å; N310-K312 PolarHBondContact O-N 2.97Å; N310-H313 WeakPolarHBondContact O-CB 3.31Å; N310-H313 PolarHBondContact O-N 3.28Å
311F90.8Very high92.6Very high148 Ų14864.1 Ų64.165%0.64932%0.323SS*.G310 helixtrans-63.8-20.617672.3-89.9000113.8P217 R308 L309 H313P217-F311 HydrophobicContact CG-CE1 3.88Å; R308-F311 WeakPolarHBondContact O-CD1 3.43Å; R308-F311 WeakPolarHBondContact O-CE1 3.27Å; L309-F311 HydrophobicContact CD2-CE1 4.15Å; L309-F311 HydrophobicContact CD2-CZ 4.4Å; L309-F311 PolarHBondContact O-N 2.88Å; F311-H313 VanDerWaalsContact C-N 3.34Å
312K92.1Very high92.7Very high122 Ų12257.1 Ų57.153%0.5330%0.296SS..G310 helixtrans-81.4-14.2175-61-174.3177173.50112.6F298 L309 N310 N314F298-K312 HydrophobicContact CE2-CB 4.29Å; F298-K312 HydrophobicContact CZ-CB 4.18Å; L309-K312 HydrophobicContact CB-CD 4.37Å; L309-K312 HydrophobicContact CD2-CD 4.05Å; L309-K312 WeakPolarHBondContact O-CB 3.48Å; L309-K312 PolarHBondContact O-N 3.07Å; N310-K312 PolarHBondContact O-N 2.97Å; K312-N314 PolarHBondContact O-N 3.13Å
313H92Very high92.7Very high49 Ų4954.4 Ų54.423%0.22728%0.276CS..  trans-71.6101.1176.3178.8-106000109.5Y295 F298 N310 F311Y295-H313 AromaticContact CD2-CG 3.96Å; Y295-H313 AromaticContact CD2-ND1 3.9Å; F298-H313 HydrophobicContact CD1-CB 3.78Å; F298-H313 AromaticContact CD1-CD2 3.84Å; F298-H313 HydrophobicContact CD2-CB 4.28Å; F298-H313 HydrophobicContact CE1-CB 3.67Å; F298-H313 HydrophobicContact CE2-CB 4.17Å; F298-H313 HydrophobicContact CG-CB 4.1Å; F298-H313 AromaticContact CG-CD2 3.56Å; F298-H313 HydrophobicContact CZ-CB 3.87Å; N310-H313 WeakPolarHBondContact O-CB 3.31Å; N310-H313 PolarHBondContact O-N 3.28Å; F311-H313 VanDerWaalsContact C-N 3.34Å
314N86.8Confident92.7Very high110 Ų11061 Ų6159%0.58830%0.301SS*.  trans-124.5133.2171.3-169.214.1000110K312 D316K312-N314 PolarHBondContact O-N 3.13Å; N314-D316 PolarHBondContact ND2-OD1 2.92Å; N314-D316 PolarHBondContact ND2-OD2 3.24Å; N314-D316 PolarHBondContact OD1-OD1 3.09Å
315N85.7Confident92.7Very high33 Ų3357.4 Ų57.418%0.17628%0.282CS..  trans-123.569.1175.9-169.52.4000109.8L317 L318 Q321N315-L317 PolarHBondContact O-N 3.25Å; N315-L317 VanDerWaalsContact O-N 3.1Å; N315-L318 HydrophobicContact CB-CB 4.11Å; N315-L318 WeakPolarHBondContact O-CB 3.39Å; N315-L318 PolarHBondContact O-N 3.11Å; N315-L318 PolarHBondContact OD1-N 3.44Å; N315-Q321 PolarHBondContact ND2-OE1 3.46Å
316D88.2Confident92.5Very high124 Ų12456.2 Ų56.266%0.66328%0.278SS*.THydrogen-bonded Turntrans-56.5-27.4178.7-66.2-42.1000112.8N314 L318N314-D316 PolarHBondContact ND2-OD1 2.92Å; N314-D316 PolarHBondContact ND2-OD2 3.24Å; N314-D316 PolarHBondContact OD1-OD1 3.09Å; D316-L318 VanDerWaalsContact C-N 3.32Å
317L92.2Very high92.4Very high101 Ų10161.4 Ų61.453%0.52931%0.305SS..THydrogen-bonded Turntrans-85.4-1.3178.9-61178.6000113.5N315 L320 Q321N315-L317 PolarHBondContact O-N 3.25Å; N315-L317 VanDerWaalsContact O-N 3.1Å; L317-L320 HydrophobicContact CD2-CD1 4.1Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L317-Q321 HydrophobicContact CB-CG 4.42Å; L317-Q321 WeakPolarHBondContact O-CG 3.32Å; L317-Q321 PolarHBondContact O-N 3.45Å
318L92.7Very high92.2Very high9 Ų968.3 Ų68.35%0.04733%0.331CS..Hα-helixtrans-52.8-47.9-177-17963.8000112.6E29 L32 P291 N315 D316 L320 Q321 L322E29-L318 HydrophobicContact CG-CD2 4.04Å; L32-L318 HydrophobicContact CD1-CD2 4.26Å; L32-L318 HydrophobicContact CD1-CG 4.39Å; P291-L318 HydrophobicContact CB-CD1 4.03Å; P291-L318 HydrophobicContact CB-CD2 4.21Å; P291-L318 HydrophobicContact CG-CD1 4.31Å; N315-L318 HydrophobicContact CB-CB 4.11Å; N315-L318 WeakPolarHBondContact O-CB 3.39Å; N315-L318 PolarHBondContact O-N 3.11Å; N315-L318 PolarHBondContact OD1-N 3.44Å; D316-L318 VanDerWaalsContact C-N 3.32Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.42Å; L318-Q321 PolarHBondContact O-N 3.27Å; L318-L322 HydrophobicContact CD1-CD1 4.03Å; L318-L322 HydrophobicContact CD1-CD2 4.21Å; L318-L322 HydrophobicContact CD1-CG 3.85Å; L318-L322 HydrophobicContact CD2-CD1 4.48Å; L318-L322 HydrophobicContact CG-CD1 3.85Å; L318-L322 HydrophobicContact CG-CG 4.13Å; L318-L322 WeakPolarHBondContact O-CB 3.28Å; L318-L322 VanDerWaalsContact O-CG 3.24Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.17Å
319P93.6Very high91.9Very high47 Ų4769.6 Ų69.631%0.30534%0.339SS..Hα-helixtrans-58.3-40.4179.1-23.133.6000113.1L32 C323L32-P319 HydrophobicContact CD1-CB 4.42Å; L32-P319 HydrophobicContact CD1-CG 3.9Å; P319-C323 WeakPolarHBondContact O-CB 3.33Å; P319-C323 PolarHBondContact O-N 3.39Å; P319-C323 PolarHBondContact O-SG 3.38Å
320L93.8Very high91.6Very high121 Ų12172.6 Ų72.663%0.63435%0.351SS*.Hα-helixtrans-69.3-42.7178.7-69172.4000111.4L317 L318 C323 W324L317-L320 HydrophobicContact CD2-CD1 4.1Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.42Å; L320-C323 PolarHBondContact O-N 2.68Å; L320-W324 WeakPolarHBondContact O-CB 3.24Å; L320-W324 PolarHBondContact O-N 3.06Å
321Q93.1Very high91.3Very high44 Ų4473 Ų7321%0.20635%0.353CS..Hα-helixtrans-61.5-44.7176.5-69.4170.5500111.3N315 L317 L318 W324 N325N315-Q321 PolarHBondContact ND2-OE1 3.46Å; L317-Q321 HydrophobicContact CB-CG 4.42Å; L317-Q321 WeakPolarHBondContact O-CG 3.32Å; L317-Q321 PolarHBondContact O-N 3.45Å; L318-Q321 PolarHBondContact O-N 3.27Å; Q321-W324 PolarHBondContact O-N 2.92Å; Q321-N325 PolarHBondContact O-N 3.15Å; Q321-N325 PolarHBondContact O-ND2 3.06Å
322L94.4Very high90.8Very high0 Ų066 Ų660%032%0.322CS..Hα-helixtrans-62-48.8176.7-69175000111.1L32 L36 L287 L290 L318 W324 N325 A326L32-L322 HydrophobicContact CB-CD1 3.52Å; L32-L322 HydrophobicContact CD1-CD1 4.03Å; L32-L322 HydrophobicContact CG-CD1 4.45Å; L36-L322 HydrophobicContact CD1-CB 3.61Å; L287-L322 HydrophobicContact CB-CD2 4.08Å; L287-L322 HydrophobicContact CD2-CD2 4.23Å; L290-L322 HydrophobicContact CB-CD2 4.23Å; L290-L322 HydrophobicContact CD1-CD2 3.82Å; L318-L322 HydrophobicContact CD1-CD1 4.03Å; L318-L322 HydrophobicContact CD1-CD2 4.21Å; L318-L322 HydrophobicContact CD1-CG 3.85Å; L318-L322 HydrophobicContact CD2-CD1 4.48Å; L318-L322 HydrophobicContact CG-CD1 3.85Å; L318-L322 HydrophobicContact CG-CG 4.13Å; L318-L322 WeakPolarHBondContact O-CB 3.28Å; L318-L322 VanDerWaalsContact O-CG 3.24Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.17Å; L322-W324 VanDerWaalsContact C-N 3.33Å; L322-W324 PolarHBondContact O-N 3.19Å; L322-N325 PolarHBondContact O-N 3.18Å; L322-A326 VanDerWaalsContact O-CB 3.27Å; L322-A326 WeakPolarHBondContact O-CB 3.37Å; L322-A326 PolarHBondContact O-N 2.83Å
323C93.6Very high90.1Very high31 Ų3168.6 Ų68.621%0.20933%0.333CS..Hα-helixtrans-59.5-43.2177.7-700000112P319 L320 A326 L327P319-C323 WeakPolarHBondContact O-CB 3.33Å; P319-C323 PolarHBondContact O-N 3.39Å; P319-C323 PolarHBondContact O-SG 3.38Å; L320-C323 PolarHBondContact O-N 2.68Å; C323-A326 PolarHBondContact O-N 3.11Å; C323-L327 VanDerWaalsContact O-CB 3.26Å; C323-L327 WeakPolarHBondContact O-CB 3.23Å; C323-L327 PolarHBondContact O-N 3.47Å
324W93.2Very high89.5Confident142 Ų14270.8 Ų70.854%0.53834%0.344SS..Hα-helixtrans-61.8-47.1178.2179.9-102.6000112L320 Q321 L322 L327 W328L320-W324 WeakPolarHBondContact O-CB 3.24Å; L320-W324 PolarHBondContact O-N 3.06Å; Q321-W324 PolarHBondContact O-N 2.92Å; L322-W324 VanDerWaalsContact C-N 3.33Å; L322-W324 PolarHBondContact O-N 3.19Å; W324-L327 PolarHBondContact O-N 2.92Å; W324-W328 AromaticContact CD2-CD1 3.7Å; W324-W328 AromaticContact CD2-NE1 3.75Å; W324-W328 AromaticContact CE2-CD1 3.67Å; W324-W328 AromaticContact CE2-NE1 3.72Å; W324-W328 AromaticContact CE3-CD1 3.97Å; W324-W328 AromaticContact CE3-NE1 3.57Å; W324-W328 AromaticContact CH2-NE1 3.39Å; W324-W328 AromaticContact CZ2-CD1 3.94Å; W324-W328 AromaticContact CZ2-NE1 3.56Å; W324-W328 AromaticContact CZ3-NE1 3.39Å; W324-W328 PolarHBondContact O-N 3.37Å
325N93.2Very high88.7Confident22 Ų2266.3 Ų66.312%0.11832%0.321CS..Hα-helixtrans-66.9-40.3178.6-76.5-85.2000111.8L287 L290 Q321 L322 W328 N329 K330L287-N325 HydrophobicContact CD2-CB 3.95Å; L290-N325 HydrophobicContact CD1-CB 3.81Å; Q321-N325 PolarHBondContact O-N 3.15Å; Q321-N325 PolarHBondContact O-ND2 3.06Å; L322-N325 PolarHBondContact O-N 3.18Å; N325-W328 PolarHBondContact O-N 2.97Å; N325-N329 PolarHBondContact O-N 3.22Å; N325-N329 VanDerWaalsContact O-N 3.09Å; N325-K330 HydrophobicContact CB-CB 4.37Å; N325-K330 PolarHBondContact O-N 3.12Å; N325-K330 WeakPolarHBondContact OD1-CB 3.41Å
326A92.5Very high88.2Confident7 Ų772.6 Ų72.66%0.05835%0.346CS..Hα-helixtrans-65-39.617800000113L36 L287 L322 C323 W328 N329L36-A326 HydrophobicContact CB-CB 4.07Å; L36-A326 HydrophobicContact CD1-CB 4Å; L36-A326 HydrophobicContact CD2-CB 4.29Å; L36-A326 HydrophobicContact CG-CB 4.35Å; L287-A326 HydrophobicContact CD1-CB 3.98Å; L287-A326 HydrophobicContact CD2-CB 4.36Å; L322-A326 VanDerWaalsContact O-CB 3.27Å; L322-A326 WeakPolarHBondContact O-CB 3.37Å; L322-A326 PolarHBondContact O-N 2.83Å; C323-A326 PolarHBondContact O-N 3.11Å; A326-W328 VanDerWaalsContact C-N 3.32Å; A326-W328 PolarHBondContact O-N 2.79Å; A326-N329 PolarHBondContact O-N 3.01Å
327L92.6Very high86.7Confident118 Ų11870.1 Ų70.162%0.61834%0.343SS*.Hα-helixtrans-63.5-39179-177.965.7000111.7C323 W324C323-L327 VanDerWaalsContact O-CB 3.26Å; C323-L327 WeakPolarHBondContact O-CB 3.23Å; C323-L327 PolarHBondContact O-N 3.47Å; W324-L327 PolarHBondContact O-N 2.92Å
328W91.7Very high86.4Confident145 Ų14568.6 Ų68.655%0.54933%0.334SS..THydrogen-bonded Turntrans-97.57.7-176.6-65.9113.6000114.1W324 N325 A326 K330W324-W328 AromaticContact CD2-CD1 3.7Å; W324-W328 AromaticContact CD2-NE1 3.75Å; W324-W328 AromaticContact CE2-CD1 3.67Å; W324-W328 AromaticContact CE2-NE1 3.72Å; W324-W328 AromaticContact CE3-CD1 3.97Å; W324-W328 AromaticContact CE3-NE1 3.57Å; W324-W328 AromaticContact CH2-NE1 3.39Å; W324-W328 AromaticContact CZ2-CD1 3.94Å; W324-W328 AromaticContact CZ2-NE1 3.56Å; W324-W328 AromaticContact CZ3-NE1 3.39Å; W324-W328 PolarHBondContact O-N 3.37Å; N325-W328 PolarHBondContact O-N 2.97Å; A326-W328 VanDerWaalsContact C-N 3.32Å; A326-W328 PolarHBondContact O-N 2.79Å; W328-K330 HydrophobicContact CB-CD 3.89Å; W328-K330 HydrophobicContact CB-CG 3.77Å; W328-K330 PolarHBondContact O-N 3.18Å; W328-K330 VanDerWaalsContact O-N 3.08Å
329N89.2Confident86.1Confident38 Ų3871.7 Ų71.720%0.20335%0.349CS..THydrogen-bonded Turntrans48.335.6-173.3-69.3-29.3000112.9N280 P283 K284 N325 A326 I331N280-N329 PolarHBondContact OD1-ND2 3.24Å; P283-N329 HydrophobicContact CB-CB 4.32Å; P283-N329 WeakPolarHBondContact CB-O 3.2Å; P283-N329 HydrophobicContact CG-CB 4.15Å; P283-N329 WeakPolarHBondContact CG-O 3.43Å; K284-N329 PolarHBondContact NZ-OD1 3.37Å; N325-N329 PolarHBondContact O-N 3.22Å; N325-N329 VanDerWaalsContact O-N 3.09Å; A326-N329 PolarHBondContact O-N 3.01Å; N329-I331 PolarHBondContact O-N 3.29Å
330K89.3Confident85.7Confident89 Ų8973.1 Ų73.139%0.38735%0.351SS..PPolyproline II helixtrans-77.2126.7-178.2-75.5175.8179.3173.20109.4N325 W328N325-K330 HydrophobicContact CB-CB 4.37Å; N325-K330 PolarHBondContact O-N 3.12Å; N325-K330 WeakPolarHBondContact OD1-CB 3.41Å; W328-K330 HydrophobicContact CB-CD 3.89Å; W328-K330 HydrophobicContact CB-CG 3.77Å; W328-K330 PolarHBondContact O-N 3.18Å; W328-K330 VanDerWaalsContact O-N 3.08Å
331I85.7Confident85.2Confident34 Ų3470.3 Ų70.317%0.17434%0.335CS..PPolyproline II helixtrans-63.2129.1164.1-67.5167000107.2S249 M253 N329 K333S249-I331 WeakPolarHBondContact O-CD1 3.23Å; S249-I331 WeakPolarHBondContact OG-CG2 3.22Å; M253-I331 HydrophobicContact CB-CD1 4.1Å; N329-I331 PolarHBondContact O-N 3.29Å; I331-K333 PolarHBondContact O-N 3.14Å
332P81Confident84.7Confident0 Ų071.9 Ų71.90%034%0.343CS..PPolyproline II helixtrans-54127.6175-28.237.6000111S246 L286 L289 L290S246-P332 PolarHBondContact OG-O 3.36Å; L286-P332 WeakPolarHBondContact O-CG 3.1Å; L289-P332 HydrophobicContact CB-CB 4.12Å; L289-P332 HydrophobicContact CB-CG 4.15Å; L289-P332 HydrophobicContact CD2-CB 4.15Å; L289-P332 HydrophobicContact CG-CB 4.34Å; L290-P332 HydrophobicContact CD1-CG 4.38Å; L290-P332 HydrophobicContact CD2-CB 3.75Å; L290-P332 HydrophobicContact CD2-CG 4.29Å; L290-P332 HydrophobicContact CG-CB 3.79Å; L290-P332 HydrophobicContact CG-CG 3.85Å
333K78.5Confident84.1Confident176 Ų17676.7 Ų76.777%0.76537%0.366SS*.PPolyproline II helixtrans-61.3148.9178.8-66.8-171.4175.8-169.60110.1N293 I331N293-K333 PolarHBondContact ND2-O 3Å; I331-K333 PolarHBondContact O-N 3.14Å
334E78.2Confident83.4Confident96 Ų9680 Ų8045%0.44938%0.377SS..PPolyproline II helixtrans-54.1148.9171.662.4-178.7176.700110.6K243 S246K243-E334 WeakPolarHBondContact CD-OE2 3.29Å; K243-E334 WeakPolarHBondContact CE-OE2 3.35Å; K243-E334 HydrophobicContact CG-CB 4.38Å; K243-E334 WeakPolarHBondContact CG-OE2 3.49Å; K243-E334 IonicContact NZ-OE2 3.41Å; S246-E334 PolarHBondContact OG-N 3.19Å
335P70.4Confident82.6Confident16 Ų1675.2 Ų75.210%0.10436%0.364CS..PPolyproline II helixtrans-63.315717328.7-35000111.2H239 A242 N293 D297H239-P335 HydrophobicContact CB-CG 4.23Å; H239-P335 WeakPolarHBondContact CE1-CB 3.4Å; H239-P335 WeakPolarHBondContact ND1-CB 3.32Å; H239-P335 WeakPolarHBondContact ND1-CG 3.47Å; A242-P335 HydrophobicContact CB-CG 4.14Å; N293-P335 HydrophobicContact CB-CB 4.16Å; D297-P335 WeakPolarHBondContact OD1-CB 3.44Å
336K74.5Confident81.7Confident165 Ų16579.7 Ų79.772%0.71739%0.385SS*.  trans-102.8-29.2-172.5-64.5-174.7178.9-174.20113.9D297 Y301D297-K336 PolarHBondContact OD1-N 3.04Å; Y301-K336 HydrophobicContact CE2-CB 4.1Å; Y301-K336 PolarHBondContact OH-O 2.79Å
337A57.2Low80.8Confident72 Ų7286.3 Ų86.360%0.59542%0.415SS*.  trans-72.60-174.200000113.4D297 Y301D297-A337 PolarHBondContact OD1-N 3.14Å; D297-A337 VanDerWaalsContact OD1-N 3.15Å; Y301-A337 HydrophobicContact CD2-CB 3.86Å; Y301-A337 HydrophobicContact CE1-CB 4.36Å; Y301-A337 HydrophobicContact CE2-CB 3.5Å; Y301-A337 VanDerWaalsContact CE2-CB 3.5Å; Y301-A337 HydrophobicContact CG-CB 4.46Å; Y301-A337 WeakPolarHBondContact OH-CA 3.19Å; Y301-A337 PolarHBondContact OH-N 2.58Å

Retrieved 337 of 337 residues in 1207.1 ms (Link to these results)

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