A0A087XPU7_POEFO Loading...

Eukaryotic translation initiation factor 3 subunit A

RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087XPU7, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3A, Length 1,272 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
1M39.5Very low76.3Confident234 Ų23492.9 Ų92.9100%1.15345%0.451SS*.  0149.80-65.1-175.9-17600108.4
2P53.8Low77.5Confident100 Ų10088 Ų8865%0.64943%0.429SS*.  trans-55.9143.9171.7-2535.6000112Y4 D33P2-Y4 PolarHBondContact O-N 3.05Å; P2-Y4 VanDerWaalsContact O-N 3.13Å; P2-D33 WeakPolarHBondContact CA-OD2 3.46Å; P2-D33 WeakPolarHBondContact CB-OD2 3.46Å
3A63.6Low78.7Confident39 Ų3991.1 Ų91.132%0.32244%0.438SS..  trans-7798.7-17800000110.4F5 V30 D33A3-F5 HydrophobicContact CB-CD2 4.23Å; A3-F5 HydrophobicContact CB-CE2 3.47Å; A3-F5 VanDerWaalsContact CB-CE2 3.47Å; A3-F5 HydrophobicContact CB-CZ 3.98Å; A3-F5 WeakPolarHBondContact O-CD2 3.12Å; A3-F5 WeakPolarHBondContact O-CE2 3.47Å; A3-F5 PolarHBondContact O-N 3.05Å; A3-V30 HydrophobicContact CB-CG2 4.42Å; A3-D33 PolarHBondContact N-OD2 2.73Å
4Y75.3Confident79.5Confident147 Ų14793.1 Ų93.158%0.57644%0.439SS*.  trans-80.3102.3-177.9-179.6-94000112.3P2 Q6 K39P2-Y4 PolarHBondContact O-N 3.05Å; P2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-Q6 HydrophobicContact CE1-CG 4.3Å; Y4-K39 HydrophobicContact CE2-CD 3.98Å; Y4-K39 WeakPolarHBondContact OH-CD 3.5Å; Y4-K39 PolarHBondContact OH-NZ 3.12Å
5F83.8Confident80.4Confident28 Ų2887 Ų8712%0.12341%0.411CS..  trans-93128.3177.2-64.5-85.7000112.9A3 N10 A11 R14 V30 V34 H40A3-F5 HydrophobicContact CB-CD2 4.23Å; A3-F5 HydrophobicContact CB-CE2 3.47Å; A3-F5 VanDerWaalsContact CB-CE2 3.47Å; A3-F5 HydrophobicContact CB-CZ 3.98Å; A3-F5 WeakPolarHBondContact O-CD2 3.12Å; A3-F5 WeakPolarHBondContact O-CE2 3.47Å; A3-F5 PolarHBondContact O-N 3.05Å; F5-N10 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD2-CB 3.92Å; F5-A11 HydrophobicContact CE1-CB 4Å; F5-A11 HydrophobicContact CE2-CB 3.86Å; F5-A11 HydrophobicContact CG-CB 4.01Å; F5-A11 HydrophobicContact CZ-CB 3.91Å; F5-R14 HydrophobicContact CE1-CB 3.92Å; F5-R14 HydrophobicContact CE1-CG 4.17Å; F5-R14 HydrophobicContact CZ-CB 4.01Å; F5-R14 HydrophobicContact CZ-CG 4Å; F5-V30 HydrophobicContact CE2-CG1 3.87Å; F5-V30 HydrophobicContact CZ-CG1 3.64Å; F5-V30 HydrophobicContact CZ-CG2 4.33Å; F5-V34 HydrophobicContact CB-CG2 4.09Å; F5-V34 HydrophobicContact CD2-CG2 3.32Å; F5-V34 HydrophobicContact CE2-CG2 3.99Å; F5-V34 HydrophobicContact CG-CG2 3.94Å; F5-H40 PolarHBondContact O-NE2 3.37Å
6Q82.9Confident81.2Confident166 Ų16685.1 Ų85.178%0.77640%0.404SS*.SBendtrans-70.8-35.1171.9-65.1-177.2-0.200112.9Y4Y4-Q6 HydrophobicContact CE1-CG 4.3Å
7R85.7Confident82Confident147 Ų14784.8 Ų84.856%0.55540%0.402SS*.SBendtrans-127.4136.9175-73.2-174.1169.4-148.83.1110.2E9 N10R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 VanDerWaalsContact CD-OE2 3.31Å; R7-E9 WeakPolarHBondContact CD-OE2 3.37Å; R7-E9 IonicContact CZ-OE2 3.53Å; R7-E9 IonicContact NE-OE2 3.54Å; R7-E9 IonicContact NH1-OE1 3.99Å; R7-E9 IonicContact NH1-OE2 3.72Å; R7-E9 PolarHBondContact NH1-OE2 2.84Å; R7-E9 PolarHBondContact O-N 3.49Å; R7-N10 PolarHBondContact O-N 3.05Å
8P86.9Confident82.6Confident5 Ų583.2 Ų83.23%0.03239%0.394CS..THydrogen-bonded Turntrans-63.7-30178.124.8-33000112.9N10 A11 V34 I46 I50P8-N10 PolarHBondContact O-N 2.67Å; P8-N10 VanDerWaalsContact O-N 3.12Å; P8-A11 PolarHBondContact O-N 2.53Å; P8-V34 HydrophobicContact CB-CG1 4.01Å; P8-I46 HydrophobicContact CB-CG2 4.24Å; P8-I46 HydrophobicContact CG-CG2 3.75Å; P8-I50 HydrophobicContact CB-CD1 3.77Å; P8-I50 WeakPolarHBondContact O-CD1 3.28Å
9E89.3Confident83.2Confident83 Ų8381.2 Ų81.239%0.38839%0.385SS..Hα-helixtrans-48.5-38173.3-60.2171.2150.100113.3R7 A11 L12 K13 I46R7-E9 VanDerWaalsContact C-N 3.26Å; R7-E9 VanDerWaalsContact CD-OE2 3.31Å; R7-E9 WeakPolarHBondContact CD-OE2 3.37Å; R7-E9 IonicContact CZ-OE2 3.53Å; R7-E9 IonicContact NE-OE2 3.54Å; R7-E9 IonicContact NH1-OE1 3.99Å; R7-E9 IonicContact NH1-OE2 3.72Å; R7-E9 PolarHBondContact NH1-OE2 2.84Å; R7-E9 PolarHBondContact O-N 3.49Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.86Å; E9-L12 PolarHBondContact O-N 3.46Å; E9-K13 PolarHBondContact O-N 2.99Å; E9-I46 HydrophobicContact CG-CG1 4.13Å
10N90.1Very high83.7Confident73 Ų7385.3 Ų85.339%0.3940%0.404SS..Hα-helixtrans-74.9-21.8-176.6-68.9-5.7000112.7F5 R7 P8 R14F5-N10 HydrophobicContact CD1-CB 4.04Å; R7-N10 PolarHBondContact O-N 3.05Å; P8-N10 PolarHBondContact O-N 2.67Å; P8-N10 VanDerWaalsContact O-N 3.12Å; N10-R14 VanDerWaalsContact O-CB 3.27Å; N10-R14 WeakPolarHBondContact O-CB 3.14Å; N10-R14 PolarHBondContact O-N 3.48Å
11A88.4Confident84.2Confident0 Ų085.9 Ų85.90%041%0.413CS..Hα-helixtrans-76.5-31.9176.700000112.4F5 P8 E9 R14 A15 V30 L31 V34F5-A11 HydrophobicContact CD1-CB 4.04Å; F5-A11 HydrophobicContact CD2-CB 3.92Å; F5-A11 HydrophobicContact CE1-CB 4Å; F5-A11 HydrophobicContact CE2-CB 3.86Å; F5-A11 HydrophobicContact CG-CB 4.01Å; F5-A11 HydrophobicContact CZ-CB 3.91Å; P8-A11 PolarHBondContact O-N 2.53Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.86Å; A11-R14 PolarHBondContact O-N 2.93Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.75Å; A11-V30 HydrophobicContact CB-CG1 4.05Å; A11-L31 HydrophobicContact CB-CD2 4.47Å; A11-V34 HydrophobicContact CB-CB 4.29Å; A11-V34 HydrophobicContact CB-CG2 3.45Å; A11-V34 VanDerWaalsContact CB-CG2 3.45Å
12L91.3Very high86.7Confident34 Ų3477.3 Ų77.318%0.17839%0.385CS..Hα-helixtrans-66.2-43.1172.3-163.3157.6000110.5E9 A15 N16 I46 P49 I50E9-L12 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 PolarHBondContact O-OD1 3.23Å; L12-I46 HydrophobicContact CD1-CD1 4.28Å; L12-P49 HydrophobicContact CD1-CB 3.8Å; L12-I50 HydrophobicContact CB-CG1 4.17Å; L12-I50 HydrophobicContact CD1-CG1 4.1Å
13K92.1Very high88.6Confident128 Ų12878.2 Ų78.256%0.55738%0.379SS*.Hα-helixtrans-57.9-50.3170.8-65.6-179.3179.2179.90111.7E9 A15 N16 E17E9-K13 PolarHBondContact O-N 2.99Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.49Å; K13-N16 WeakPolarHBondContact O-CB 3.47Å; K13-N16 PolarHBondContact O-N 3.39Å; K13-N16 VanDerWaalsContact O-N 3.1Å; K13-E17 WeakPolarHBondContact O-CG 3.21Å; K13-E17 PolarHBondContact O-N 2.83Å
14R90.7Very high90.1Very high119 Ų11980.3 Ų80.345%0.44938%0.381SS..Hα-helixtrans-63.3-32.2-179.6-165.558.3162.7179.11113.3F5 N10 A11 E17 F18 V30F5-R14 HydrophobicContact CE1-CB 3.92Å; F5-R14 HydrophobicContact CE1-CG 4.17Å; F5-R14 HydrophobicContact CZ-CB 4.01Å; F5-R14 HydrophobicContact CZ-CG 4Å; N10-R14 VanDerWaalsContact O-CB 3.27Å; N10-R14 WeakPolarHBondContact O-CB 3.14Å; N10-R14 PolarHBondContact O-N 3.48Å; A11-R14 PolarHBondContact O-N 2.93Å; R14-E17 WeakPolarHBondContact CD-OE2 3.32Å; R14-E17 IonicContact CZ-OE2 3.66Å; R14-E17 IonicContact NE-OE2 3.74Å; R14-E17 IonicContact NH1-OE2 3.96Å; R14-E17 PolarHBondContact NH1-OE2 2.84Å; R14-F18 HydrophobicContact CG-CE2 4.21Å; R14-F18 WeakPolarHBondContact O-CD2 3.24Å; R14-F18 PolarHBondContact O-N 2.82Å; R14-V30 HydrophobicContact CB-CG1 4.14Å; R14-V30 HydrophobicContact CG-CG1 4.31Å; R14-V30 HydrophobicContact CG-CG2 4.29Å
15A92.9Very high91Very high2 Ų276.2 Ų76.22%0.01737%0.367CS..Hα-helixtrans-68.8-47171.600000111A11 L12 K13 E17 F18 L19 A27 L31A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.75Å; L12-A15 PolarHBondContact O-N 2.94Å; K13-A15 VanDerWaalsContact C-N 3.29Å; K13-A15 PolarHBondContact O-N 3.49Å; A15-E17 PolarHBondContact O-N 2.95Å; A15-F18 PolarHBondContact O-N 3.01Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 3.4Å; A15-A27 HydrophobicContact CB-CB 4.21Å; A15-L31 HydrophobicContact CB-CD1 3.88Å; A15-L31 HydrophobicContact CB-CD2 3.87Å; A15-L31 HydrophobicContact CB-CG 3.82Å
16N93.7Very high91.4Very high57 Ų5777.1 Ų77.131%0.30538%0.376SS..Hα-helixtrans-58.8-44.3175.8-70.62.6000112.1L12 K13 F18 L19 E20L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 PolarHBondContact O-OD1 3.23Å; K13-N16 WeakPolarHBondContact O-CB 3.47Å; K13-N16 PolarHBondContact O-N 3.39Å; K13-N16 VanDerWaalsContact O-N 3.1Å; N16-F18 PolarHBondContact O-N 3.14Å; N16-L19 CarbonylContact O-C 3.39Å; N16-L19 WeakPolarHBondContact O-CA 3.41Å; N16-L19 PolarHBondContact O-N 3.31Å; N16-E20 WeakPolarHBondContact O-CG 3.39Å; N16-E20 PolarHBondContact O-N 3.29Å
17E93.5Very high91.9Very high79 Ų7969.2 Ų69.237%0.36934%0.339SS..Hα-helixtrans-53.3-39.8172.9-70.5162.3-142.400112K13 R14 A15 V21K13-E17 WeakPolarHBondContact O-CG 3.21Å; K13-E17 PolarHBondContact O-N 2.83Å; R14-E17 WeakPolarHBondContact CD-OE2 3.32Å; R14-E17 IonicContact CZ-OE2 3.66Å; R14-E17 IonicContact NE-OE2 3.74Å; R14-E17 IonicContact NH1-OE2 3.96Å; R14-E17 PolarHBondContact NH1-OE2 2.84Å; A15-E17 PolarHBondContact O-N 2.95Å; E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 2.97Å
18F93.1Very high92.3Very high56 Ų5662.2 Ų62.225%0.24631%0.312CS..Hα-helixtrans-74.5-30.9175.2-78.9-54.2000113.3R14 A15 N16 V21 G22 K23 P26 A27 V30R14-F18 HydrophobicContact CG-CE2 4.21Å; R14-F18 WeakPolarHBondContact O-CD2 3.24Å; R14-F18 PolarHBondContact O-N 2.82Å; A15-F18 PolarHBondContact O-N 3.01Å; N16-F18 PolarHBondContact O-N 3.14Å; F18-V21 CarbonylContact O-C 3.6Å; F18-V21 PolarHBondContact O-N 3.24Å; F18-G22 PolarHBondContact O-N 2.61Å; F18-K23 HydrophobicContact CB-CB 4.48Å; F18-K23 HydrophobicContact CD1-CB 4.39Å; F18-K23 WeakPolarHBondContact O-CA 3.38Å; F18-K23 PolarHBondContact O-N 3.44Å; F18-P26 HydrophobicContact CD1-CB 4.11Å; F18-P26 HydrophobicContact CD2-CB 4.18Å; F18-P26 HydrophobicContact CE1-CB 4.23Å; F18-P26 HydrophobicContact CE2-CB 4.29Å; F18-P26 HydrophobicContact CG-CB 4.11Å; F18-P26 HydrophobicContact CZ-CB 4.32Å; F18-A27 HydrophobicContact CB-CB 3.79Å; F18-V30 HydrophobicContact CD2-CG2 4.28Å; F18-V30 HydrophobicContact CE2-CG2 3.93Å
19L94.1Very high92.6Very high45 Ų4565.3 Ų65.324%0.23633%0.328CS..Hα-helixtrans-73.9-34.9176.5-63.4175.6000112.8A15 N16 V21 G22 K24 A27 L57A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 3.4Å; N16-L19 CarbonylContact O-C 3.39Å; N16-L19 WeakPolarHBondContact O-CA 3.41Å; N16-L19 PolarHBondContact O-N 3.31Å; L19-V21 PolarHBondContact O-N 2.64Å; L19-G22 WeakPolarHBondContact O-CA 3.45Å; L19-G22 PolarHBondContact O-N 2.87Å; L19-K24 HydrophobicContact CD2-CB 4.32Å; L19-K24 HydrophobicContact CD2-CG 3.87Å; L19-A27 HydrophobicContact CD2-CB 3.75Å; L19-A27 HydrophobicContact CG-CB 3.92Å; L19-L57 HydrophobicContact CD1-CD1 4.29Å; L19-L57 HydrophobicContact CD1-CD2 4.21Å; L19-L57 HydrophobicContact CD2-CD1 4.03Å; L19-L57 HydrophobicContact CD2-CD2 3.52Å; L19-L57 HydrophobicContact CD2-CG 4.42Å
20E94.1Very high92.8Very high163 Ų16361.9 Ų61.976%0.76231%0.313SS*.Hα-helixtrans-60.2-32.4170-72.1166-160.500111.4N16 G22N16-E20 WeakPolarHBondContact O-CG 3.39Å; N16-E20 PolarHBondContact O-N 3.29Å; E20-G22 VanDerWaalsContact C-N 3.3Å
21V93.3Very high92.9Very high98 Ų9858.4 Ų58.459%0.59429%0.294SS*.THydrogen-bonded Turntrans-88.98.1173.3-1760000112.1E17 F18 L19 K23E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 2.97Å; F18-V21 CarbonylContact O-C 3.6Å; F18-V21 PolarHBondContact O-N 3.24Å; L19-V21 PolarHBondContact O-N 2.64Å; V21-K23 HydrophobicContact CG1-CD 4.1Å; V21-K23 HydrophobicContact CG1-CG 4.31Å; V21-K23 PolarHBondContact O-N 3.04Å
22G92.3Very high93.2Very high55 Ų5560.2 Ų60.257%0.56730%0.301SS*.THydrogen-bonded Turntrans71.11.5178.900000115.9F18 L19 E20 K24F18-G22 PolarHBondContact O-N 2.61Å; L19-G22 WeakPolarHBondContact O-CA 3.45Å; L19-G22 PolarHBondContact O-N 2.87Å; E20-G22 VanDerWaalsContact C-N 3.3Å; G22-K24 PolarHBondContact O-N 3.08Å
23K93.9Very high93.1Very high118 Ų11860.7 Ų60.751%0.51330%0.304SS..  trans-85.570.2-172.5-71.1-178.2179.3-179.90112.2F18 V21 Q25 P26 A27F18-K23 HydrophobicContact CB-CB 4.48Å; F18-K23 HydrophobicContact CD1-CB 4.39Å; F18-K23 WeakPolarHBondContact O-CA 3.38Å; F18-K23 PolarHBondContact O-N 3.44Å; V21-K23 HydrophobicContact CG1-CD 4.1Å; V21-K23 HydrophobicContact CG1-CG 4.31Å; V21-K23 PolarHBondContact O-N 3.04Å; K23-Q25 PolarHBondContact O-N 3.23Å; K23-P26 HydrophobicContact CB-CG 4.16Å; K23-P26 WeakPolarHBondContact O-CD 3.41Å; K23-A27 PolarHBondContact O-N 3.47Å
24K94.1Very high93.1Very high84 Ų8454.7 Ų54.737%0.36528%0.279SS..Hα-helixtrans-55.6-38.8-178.2-63.5-169.5-179.3-175.90114.7L19 G22 A27 L28 L57 D60 L61L19-K24 HydrophobicContact CD2-CB 4.32Å; L19-K24 HydrophobicContact CD2-CG 3.87Å; G22-K24 PolarHBondContact O-N 3.08Å; K24-A27 PolarHBondContact O-N 3.01Å; K24-L28 PolarHBondContact O-N 3.35Å; K24-L57 HydrophobicContact CB-CD2 4.32Å; K24-L57 HydrophobicContact CD-CD2 4.39Å; K24-L57 HydrophobicContact CG-CD2 4.26Å; K24-D60 HydrophobicContact CD-CB 4.45Å; K24-D60 IonicContact NZ-OD2 2.81Å; K24-D60 PolarHBondContact NZ-OD2 3.01Å; K24-L61 HydrophobicContact CB-CD1 4.03Å; K24-L61 HydrophobicContact CB-CD2 4.1Å; K24-L61 HydrophobicContact CB-CG 4.26Å
25Q94.1Very high93Very high61 Ų6149.3 Ų49.329%0.28526%0.259SS..Hα-helixtrans-68.8-53-178.8-178.672.360.800112.2K23 A27 L28 D29 L61K23-Q25 PolarHBondContact O-N 3.23Å; Q25-A27 PolarHBondContact O-N 3.31Å; Q25-L28 WeakPolarHBondContact O-CA 3.07Å; Q25-L28 WeakPolarHBondContact O-CB 3.36Å; Q25-L28 PolarHBondContact O-N 2.98Å; Q25-D29 PolarHBondContact NE2-OD1 3.43Å; Q25-D29 PolarHBondContact O-N 3.47Å; Q25-L61 HydrophobicContact CB-CD1 4.2Å
26P93.1Very high92.9Very high47 Ų4754.6 Ų54.631%0.30528%0.281SS..Hα-helixtrans-55.4-33.5171.4-30.536.4000115.1F18 K23 V30F18-P26 HydrophobicContact CD1-CB 4.11Å; F18-P26 HydrophobicContact CD2-CB 4.18Å; F18-P26 HydrophobicContact CE1-CB 4.23Å; F18-P26 HydrophobicContact CE2-CB 4.29Å; F18-P26 HydrophobicContact CG-CB 4.11Å; F18-P26 HydrophobicContact CZ-CB 4.32Å; K23-P26 HydrophobicContact CB-CG 4.16Å; K23-P26 WeakPolarHBondContact O-CD 3.41Å; P26-V30 WeakPolarHBondContact O-CB 3.42Å; P26-V30 WeakPolarHBondContact O-CG2 3.49Å; P26-V30 PolarHBondContact O-N 2.96Å; P26-V30 VanDerWaalsContact O-N 3.14Å
27A93.5Very high92.7Very high0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-64.1-42.3173.100000112.1A15 F18 L19 K23 K24 Q25 L31 L57A15-A27 HydrophobicContact CB-CB 4.21Å; F18-A27 HydrophobicContact CB-CB 3.79Å; L19-A27 HydrophobicContact CD2-CB 3.75Å; L19-A27 HydrophobicContact CG-CB 3.92Å; K23-A27 PolarHBondContact O-N 3.47Å; K24-A27 PolarHBondContact O-N 3.01Å; Q25-A27 PolarHBondContact O-N 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.29Å; A27-L57 HydrophobicContact CB-CD1 3.75Å
28L94.6Very high92.2Very high0 Ų057.6 Ų57.60%029%0.294CS..Hα-helixtrans-65-46.3175.2-171.7163.5000111.2K24 Q25 V30 L31 Y32 Y54 L57 L61 L66K24-L28 PolarHBondContact O-N 3.35Å; Q25-L28 WeakPolarHBondContact O-CA 3.07Å; Q25-L28 WeakPolarHBondContact O-CB 3.36Å; Q25-L28 PolarHBondContact O-N 2.98Å; L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-L31 VanDerWaalsContact O-N 3.09Å; L28-Y32 PolarHBondContact O-N 2.86Å; L28-Y54 HydrophobicContact CD2-CD2 4.41Å; L28-Y54 HydrophobicContact CD2-CE2 3.67Å; L28-Y54 HydrophobicContact CG-CD2 4.2Å; L28-Y54 HydrophobicContact CG-CE2 3.92Å; L28-L57 HydrophobicContact CB-CB 4.24Å; L28-L57 HydrophobicContact CB-CD1 4.36Å; L28-L57 HydrophobicContact CD1-CB 4.18Å; L28-L57 HydrophobicContact CG-CB 4.42Å; L28-L61 HydrophobicContact CD1-CD1 3.93Å; L28-L66 HydrophobicContact CD1-CD1 4.4Å; L28-L66 HydrophobicContact CD2-CB 4.42Å; L28-L66 HydrophobicContact CD2-CD1 3.56Å
29D93.2Very high91.8Very high69 Ų6961.7 Ų61.737%0.36931%0.311SS..Hα-helixtrans-59.4-41.6-178.4-57.6-30.9000111.6Q25 L31 Y32 D33Q25-D29 PolarHBondContact NE2-OD1 3.43Å; Q25-D29 PolarHBondContact O-N 3.47Å; D29-L31 PolarHBondContact O-N 3.11Å; D29-Y32 PolarHBondContact O-N 2.81Å; D29-D33 PolarHBondContact O-N 2.88Å
30V92.4Very high91.4Very high11 Ų1160.3 Ų60.37%0.06730%0.304CS..Hα-helixtrans-58.7-41.8174153.20000112.9A3 F5 A11 R14 F18 P26 L28 V34A3-V30 HydrophobicContact CB-CG2 4.42Å; F5-V30 HydrophobicContact CE2-CG1 3.87Å; F5-V30 HydrophobicContact CZ-CG1 3.64Å; F5-V30 HydrophobicContact CZ-CG2 4.33Å; A11-V30 HydrophobicContact CB-CG1 4.05Å; R14-V30 HydrophobicContact CB-CG1 4.14Å; R14-V30 HydrophobicContact CG-CG1 4.31Å; R14-V30 HydrophobicContact CG-CG2 4.29Å; F18-V30 HydrophobicContact CD2-CG2 4.28Å; F18-V30 HydrophobicContact CE2-CG2 3.93Å; P26-V30 WeakPolarHBondContact O-CB 3.42Å; P26-V30 WeakPolarHBondContact O-CG2 3.49Å; P26-V30 PolarHBondContact O-N 2.96Å; P26-V30 VanDerWaalsContact O-N 3.14Å; L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.48Å; V30-V34 PolarHBondContact O-N 3.34Å
31L93.2Very high91Very high0 Ų059.5 Ų59.50%029%0.294CS..Hα-helixtrans-75.1-37.3180-63.2171.9000111A11 A15 A27 L28 D29 V34 I35 I50 K53 Y54 L57A11-L31 HydrophobicContact CB-CD2 4.47Å; A15-L31 HydrophobicContact CB-CD1 3.88Å; A15-L31 HydrophobicContact CB-CD2 3.87Å; A15-L31 HydrophobicContact CB-CG 3.82Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.29Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-L31 VanDerWaalsContact O-N 3.09Å; D29-L31 PolarHBondContact O-N 3.11Å; L31-V34 PolarHBondContact O-N 2.82Å; L31-I35 WeakPolarHBondContact O-CD1 3.4Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.99Å; L31-I50 HydrophobicContact CD2-CG2 4.2Å; L31-K53 HydrophobicContact CD1-CB 4.38Å; L31-Y54 HydrophobicContact CB-CD2 3.8Å; L31-Y54 HydrophobicContact CB-CG 4.43Å; L31-L57 HydrophobicContact CD1-CD1 4.36Å
32Y93.2Very high90.7Very high38 Ų3860 Ų6015%0.14930%0.297CS..Hα-helixtrans-58.9-47173.6179.8-106.4000112L28 D29 V34 I35 K36 Y54 L66 E69L28-Y32 PolarHBondContact O-N 2.86Å; D29-Y32 PolarHBondContact O-N 2.81Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 2.91Å; Y32-I35 PolarHBondContact O-N 3.24Å; Y32-K36 HydrophobicContact CD1-CD 4.25Å; Y32-K36 HydrophobicContact CE1-CD 3.54Å; Y32-K36 HydrophobicContact CE2-CD 4.49Å; Y32-K36 VanDerWaalsContact O-CB 3.22Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.45Å; Y32-K36 PolarHBondContact OH-NZ 2.97Å; Y32-Y54 HydrophobicContact CD2-CE2 4.45Å; Y32-Y54 WeakPolarHBondContact CD2-OH 3.42Å; Y32-L66 HydrophobicContact CE2-CD2 4.39Å; Y32-E69 HydrophobicContact CE2-CB 4.18Å; Y32-E69 PolarHBondContact OH-OE2 3.24Å
33D91.1Very high90.6Very high45 Ų4559.8 Ų59.824%0.24128%0.279CS..Hα-helixtrans-57.5-37.8177.3-94.5-12.1000112.5P2 A3 D29 S37P2-D33 WeakPolarHBondContact CA-OD2 3.46Å; P2-D33 WeakPolarHBondContact CB-OD2 3.46Å; A3-D33 PolarHBondContact N-OD2 2.73Å; D29-D33 PolarHBondContact O-N 2.88Å; D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.48Å
34V90.6Very high90.4Very high2 Ų258.1 Ų58.11%0.01227%0.273CS..Hα-helixtrans-71.8-43.1176.1169.30000112.5F5 P8 A11 V30 L31 Y32 K36 S37F5-V34 HydrophobicContact CB-CG2 4.09Å; F5-V34 HydrophobicContact CD2-CG2 3.32Å; F5-V34 HydrophobicContact CE2-CG2 3.99Å; F5-V34 HydrophobicContact CG-CG2 3.94Å; P8-V34 HydrophobicContact CB-CG1 4.01Å; A11-V34 HydrophobicContact CB-CB 4.29Å; A11-V34 HydrophobicContact CB-CG2 3.45Å; A11-V34 VanDerWaalsContact CB-CG2 3.45Å; V30-V34 PolarHBondContact O-N 3.34Å; L31-V34 PolarHBondContact O-N 2.82Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 2.91Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.37Å; V34-S37 VanDerWaalsContact O-CB 3.3Å; V34-S37 WeakPolarHBondContact O-CB 3.26Å; V34-S37 PolarHBondContact O-N 2.77Å
35I89.7Confident90.2Very high6 Ų662 Ų623%0.03129%0.29CS..Hα-helixtrans-64.7-32.9177.1-67.9159.6000111.1L31 Y32 I50 M51 Y54 Q73L31-I35 WeakPolarHBondContact O-CD1 3.4Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.99Å; Y32-I35 PolarHBondContact O-N 3.24Å; I35-I50 HydrophobicContact CD1-CG2 4.28Å; I35-I50 HydrophobicContact CG1-CG2 4.2Å; I35-M51 HydrophobicContact CD1-SD 3.59Å; I35-M51 VanDerWaalsContact CD1-SD 3.59Å; I35-M51 HydrophobicContact CG1-SD 4.32Å; I35-Y54 HydrophobicContact CD1-CD1 3.88Å; I35-Y54 HydrophobicContact CD1-CD2 4.06Å; I35-Y54 HydrophobicContact CD1-CE1 4.36Å; I35-Y54 HydrophobicContact CD1-CG 3.7Å; I35-Q73 HydrophobicContact CG2-CB 3.71Å; I35-Q73 HydrophobicContact CG2-CG 4.46Å
36K90.4Very high90Very high112 Ų11261.1 Ų61.149%0.48729%0.287SS..Hα-helixtrans-82.2-15.3177.6-163.2167.8-175.1172.90113.4Y32 V34 K38Y32-K36 HydrophobicContact CD1-CD 4.25Å; Y32-K36 HydrophobicContact CE1-CD 3.54Å; Y32-K36 HydrophobicContact CE2-CD 4.49Å; Y32-K36 VanDerWaalsContact O-CB 3.22Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.45Å; Y32-K36 PolarHBondContact OH-NZ 2.97Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.37Å; K36-K38 PolarHBondContact O-N 3.45Å
37S88.7Confident90Very high27 Ų2759 Ų5919%0.18927%0.273CS..  trans-63.2126.7-175.6179.40000113.1D33 V34 K39 H40D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.48Å; V34-S37 VanDerWaalsContact O-CB 3.3Å; V34-S37 WeakPolarHBondContact O-CB 3.26Å; V34-S37 PolarHBondContact O-N 2.77Å; S37-K39 PolarHBondContact O-N 3.41Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 2.64Å; S37-H40 PolarHBondContact O-N 2.86Å
38K84.8Confident89.9Confident173 Ų17361.6 Ų61.675%0.75229%0.285SS*.THydrogen-bonded Turntrans-62-20174.1-69.1-177.3-179176.80113.7K36 R41K36-K38 PolarHBondContact O-N 3.45Å; K38-R41 WeakPolarHBondContact O-CD 3.2Å
39K84.6Confident89.9Confident141 Ų14164.1 Ų64.161%0.61330%0.301SS*.THydrogen-bonded Turntrans-86.6-29.5-176.6-61.2-167.9-176.4-174.90113.3Y4 S37 R41Y4-K39 HydrophobicContact CE2-CD 3.98Å; Y4-K39 WeakPolarHBondContact OH-CD 3.5Å; Y4-K39 PolarHBondContact OH-NZ 3.12Å; S37-K39 PolarHBondContact O-N 3.41Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 PolarHBondContact OG-N 2.64Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 3.43Å
40H85.3Confident89.9Confident16 Ų1660.8 Ų60.87%0.07428%0.284CS..SBendtrans-98.742-178.2-55.6-45.4000111.4F5 S37 H47F5-H40 PolarHBondContact O-NE2 3.37Å; S37-H40 PolarHBondContact O-N 2.86Å; H40-H47 PolarHBondContact O-CE1 3.39Å
41R84.9Confident90.1Very high147 Ų14760.3 Ų60.356%0.55528%0.28SS*.  trans-87.9-19.7-176.5-80.7-176.6166-161.5-7.5114.8K38 K39K38-R41 WeakPolarHBondContact O-CD 3.2Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 3.43Å
42T87.2Confident90.2Very high107 Ų10763.2 Ų63.266%0.65630%0.296SS*.SBendtrans-81.8123.5174.3-51.70000108.7Q44T42-Q44 PolarHBondContact O-N 2.99Å
43W90.6Very high90.3Very high51 Ų5164.6 Ų64.619%0.19330%0.303CS..  trans-58.2133.8-179.5-175.893.1000111.8I77 V81 N82 S85W43-I77 HydrophobicContact CB-CG2 3.86Å; W43-I77 HydrophobicContact CG-CG2 4.48Å; W43-V81 HydrophobicContact CB-CB 4.13Å; W43-V81 HydrophobicContact CB-CG1 4.27Å; W43-V81 HydrophobicContact CB-CG2 4.34Å; W43-V81 HydrophobicContact CD2-CG1 4.39Å; W43-V81 HydrophobicContact CE3-CG1 3.91Å; W43-N82 HydrophobicContact CD2-CB 4.34Å; W43-N82 HydrophobicContact CH2-CB 4.29Å; W43-N82 HydrophobicContact CZ2-CB 4.11Å; W43-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W43-N82 HydrophobicContact CZ3-CB 4.47Å; W43-S85 PolarHBondContact NE1-OG 2.75Å
44Q89.5Confident90.5Very high84 Ų8462.5 Ų62.539%0.39329%0.291SS..  trans-134.6152.1173-43173.94.800108T42 I46 H47T42-Q44 PolarHBondContact O-N 2.99Å; Q44-I46 HydrophobicContact CB-CG2 4.17Å; Q44-I46 PolarHBondContact O-N 3.35Å; Q44-H47 WeakPolarHBondContact O-CB 3.28Å; Q44-H47 PolarHBondContact O-N 2.98Å
45K89.8Confident90.8Very high164 Ų16462.5 Ų62.571%0.71329%0.291SS*.THydrogen-bonded Turntrans-54.3-30.2-177.1-168.7176.6-179.1-178.20114H47 E48 P49K45-H47 VanDerWaalsContact C-N 3.29Å; K45-H47 PolarHBondContact O-N 2.85Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-P49 WeakPolarHBondContact O-CD 3.14Å
46I90.8Very high91.1Very high44 Ų4465.3 Ų65.323%0.22630%0.304CS..THydrogen-bonded Turntrans-68.7-20.9178.3-169.960.4000114.1P8 E9 L12 Q44 E48 P49 I50P8-I46 HydrophobicContact CB-CG2 4.24Å; P8-I46 HydrophobicContact CG-CG2 3.75Å; E9-I46 HydrophobicContact CG-CG1 4.13Å; L12-I46 HydrophobicContact CD1-CD1 4.28Å; Q44-I46 HydrophobicContact CB-CG2 4.17Å; Q44-I46 PolarHBondContact O-N 3.35Å; I46-E48 PolarHBondContact O-N 3.19Å; I46-P49 WeakPolarHBondContact O-CD 3.4Å; I46-I50 HydrophobicContact CG1-CD1 4.03Å; I46-I50 HydrophobicContact CG1-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.47Å
47H91.6Very high91.3Very high1 Ų160 Ų601%0.00528%0.281CS..Hα-helixtrans-66.7-24.9177.4-76.4-97.9000113H40 Q44 K45 M51 Y74H40-H47 PolarHBondContact O-CE1 3.39Å; Q44-H47 WeakPolarHBondContact O-CB 3.28Å; Q44-H47 PolarHBondContact O-N 2.98Å; K45-H47 VanDerWaalsContact C-N 3.29Å; K45-H47 PolarHBondContact O-N 2.85Å; H47-M51 VanDerWaalsContact O-CB 3.25Å; H47-M51 WeakPolarHBondContact O-CB 3.43Å; H47-M51 PolarHBondContact O-N 3.01Å; H47-Y74 HydrophobicContact CB-CE2 4Å
48E92.8Very high91.7Very high55 Ų5558.8 Ų58.826%0.25727%0.272SS..Hα-helixtrans-71.7-52.9178.5179.4-176.711200111.7K45 I46 I50 M51 L52 S85 V89K45-E48 PolarHBondContact O-N 2.93Å; I46-E48 PolarHBondContact O-N 3.19Å; E48-I50 VanDerWaalsContact C-N 3.31Å; E48-I50 PolarHBondContact O-N 3.47Å; E48-M51 PolarHBondContact O-N 3.42Å; E48-M51 VanDerWaalsContact O-N 3.09Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.22Å; E48-S85 WeakPolarHBondContact OE2-CB 3.42Å; E48-S85 PolarHBondContact OE2-OG 2.91Å; E48-V89 HydrophobicContact CG-CG2 4.09Å
49P94.4Very high92.2Very high53 Ų5350.7 Ų50.734%0.34424%0.237SC..Hα-helixtrans-55.1-39.2167.7-29.335.6000114.9L12 K45 I46 M51 K53L12-P49 HydrophobicContact CD1-CB 3.8Å; K45-P49 WeakPolarHBondContact O-CD 3.14Å; I46-P49 WeakPolarHBondContact O-CD 3.4Å; P49-M51 VanDerWaalsContact C-N 3.35Å; P49-K53 PolarHBondContact O-N 2.97Å
50I93.5Very high92.6Very high0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-59.7-46.1173.9-76.7169.4000110.5P8 L12 L31 I35 I46 E48 Y54P8-I50 HydrophobicContact CB-CD1 3.77Å; P8-I50 WeakPolarHBondContact O-CD1 3.28Å; L12-I50 HydrophobicContact CB-CG1 4.17Å; L12-I50 HydrophobicContact CD1-CG1 4.1Å; L31-I50 HydrophobicContact CD2-CG2 4.2Å; I35-I50 HydrophobicContact CD1-CG2 4.28Å; I35-I50 HydrophobicContact CG1-CG2 4.2Å; I46-I50 HydrophobicContact CG1-CD1 4.03Å; I46-I50 HydrophobicContact CG1-CG1 4.46Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.47Å; E48-I50 VanDerWaalsContact C-N 3.31Å; E48-I50 PolarHBondContact O-N 3.47Å; I50-Y54 WeakPolarHBondContact O-CB 3.49Å; I50-Y54 PolarHBondContact O-N 2.88Å
51M95Very high93.1Very high0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-71.8-36.7-177.3-162.165-158.400112.2I35 H47 E48 P49 Y54 L55 L71 Y74 V89I35-M51 HydrophobicContact CD1-SD 3.59Å; I35-M51 VanDerWaalsContact CD1-SD 3.59Å; I35-M51 HydrophobicContact CG1-SD 4.32Å; H47-M51 VanDerWaalsContact O-CB 3.25Å; H47-M51 WeakPolarHBondContact O-CB 3.43Å; H47-M51 PolarHBondContact O-N 3.01Å; E48-M51 PolarHBondContact O-N 3.42Å; E48-M51 VanDerWaalsContact O-N 3.09Å; P49-M51 VanDerWaalsContact C-N 3.35Å; M51-Y54 HydrophobicContact CE-CD1 3.59Å; M51-Y54 HydrophobicContact CE-CE1 3.97Å; M51-Y54 PolarHBondContact O-N 2.93Å; M51-Y54 HydrophobicContact SD-CD1 3.97Å; M51-L55 HydrophobicContact CE-CD1 3.8Å; M51-L55 HydrophobicContact CE-CD2 4.02Å; M51-L55 HydrophobicContact CE-CG 3.87Å; M51-L55 HydrophobicContact CG-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.49Å; M51-L55 WeakPolarHBondContact O-CD1 3.37Å; M51-L55 VanDerWaalsContact O-CG 3.26Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.47Å; M51-L71 HydrophobicContact CE-CB 4.45Å; M51-L71 HydrophobicContact CE-CD2 3.98Å; M51-L71 HydrophobicContact CE-CG 3.95Å; M51-Y74 HydrophobicContact CB-CD2 3.97Å; M51-Y74 HydrophobicContact CB-CE2 3.85Å; M51-Y74 HydrophobicContact CB-CG 4.38Å; M51-Y74 HydrophobicContact CG-CD1 4.02Å; M51-Y74 HydrophobicContact CG-CD2 3.84Å; M51-Y74 HydrophobicContact CG-CE1 4.33Å; M51-Y74 HydrophobicContact CG-CE2 4.14Å; M51-Y74 HydrophobicContact CG-CG 3.77Å; M51-Y74 HydrophobicContact SD-CD2 4.07Å; M51-Y74 HydrophobicContact SD-CG 4Å; M51-V89 HydrophobicContact CB-CG1 4.23Å; M51-V89 HydrophobicContact CB-CG2 4.47Å; M51-V89 HydrophobicContact CG-CG1 3.61Å
52L95.7Very high93.5Very high61 Ų6146.5 Ų46.532%0.31922%0.224SC..Hα-helixtrans-61.1-51.9173-69.7172.6000111.4E48 Y54 L55 E56 V89 A92E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.22Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 PolarHBondContact O-N 3.25Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-E56 WeakPolarHBondContact O-CB 3.47Å; L52-E56 PolarHBondContact O-N 2.69Å; L52-V89 HydrophobicContact CD2-CG2 4.13Å; L52-V89 HydrophobicContact CG-CG2 4.29Å; L52-A92 HydrophobicContact CD2-CB 3.57Å
53K95.2Very high93.9Very high68 Ų6845 Ų4530%0.29621%0.208SC..Hα-helixtrans-64.4-34.9176.7-84.1-71.6173.4-150.80112.9L31 P49 E56 L57L31-K53 HydrophobicContact CD1-CB 4.38Å; P49-K53 PolarHBondContact O-N 2.97Å; K53-E56 WeakPolarHBondContact CD-OE2 3.23Å; K53-E56 WeakPolarHBondContact CE-OE2 3.37Å; K53-E56 IonicContact NZ-OE1 2.67Å; K53-E56 PolarHBondContact NZ-OE1 3.26Å; K53-E56 IonicContact NZ-OE2 3.66Å; K53-E56 PolarHBondContact NZ-OE2 2.75Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.29Å
54Y95.9Very high94Very high0 Ų043.8 Ų43.80%021%0.208CC..Hα-helixtrans-61.3-44.3173.2175.4-103.2000112L28 L31 Y32 I35 I50 M51 L52 L57 C58 L66L28-Y54 HydrophobicContact CD2-CD2 4.41Å; L28-Y54 HydrophobicContact CD2-CE2 3.67Å; L28-Y54 HydrophobicContact CG-CD2 4.2Å; L28-Y54 HydrophobicContact CG-CE2 3.92Å; L31-Y54 HydrophobicContact CB-CD2 3.8Å; L31-Y54 HydrophobicContact CB-CG 4.43Å; Y32-Y54 HydrophobicContact CD2-CE2 4.45Å; Y32-Y54 WeakPolarHBondContact CD2-OH 3.42Å; I35-Y54 HydrophobicContact CD1-CD1 3.88Å; I35-Y54 HydrophobicContact CD1-CD2 4.06Å; I35-Y54 HydrophobicContact CD1-CE1 4.36Å; I35-Y54 HydrophobicContact CD1-CG 3.7Å; I50-Y54 WeakPolarHBondContact O-CB 3.49Å; I50-Y54 PolarHBondContact O-N 2.88Å; M51-Y54 HydrophobicContact CE-CD1 3.59Å; M51-Y54 HydrophobicContact CE-CE1 3.97Å; M51-Y54 PolarHBondContact O-N 2.93Å; M51-Y54 HydrophobicContact SD-CD1 3.97Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 PolarHBondContact O-N 3.25Å; Y54-L57 PolarHBondContact O-N 2.98Å; Y54-C58 PolarHBondContact O-N 3.02Å; Y54-C58 PolarHBondContact O-SG 3.03Å; Y54-L66 WeakPolarHBondContact OH-CB 3.46Å; Y54-L66 PolarHBondContact OH-O 3.16Å
55L96.4Very high94.2Very high2 Ų244.2 Ų44.21%0.0121%0.209CC..Hα-helixtrans-73.4-37.4-178.4-71161.3000112.3M51 L52 L57 C58 V59 A67 L71 V89 Y93M51-L55 HydrophobicContact CE-CD1 3.8Å; M51-L55 HydrophobicContact CE-CD2 4.02Å; M51-L55 HydrophobicContact CE-CG 3.87Å; M51-L55 HydrophobicContact CG-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.49Å; M51-L55 WeakPolarHBondContact O-CD1 3.37Å; M51-L55 VanDerWaalsContact O-CG 3.26Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.47Å; L52-L55 PolarHBondContact O-N 2.95Å; L55-L57 VanDerWaalsContact C-N 3.3Å; L55-L57 PolarHBondContact O-N 2.7Å; L55-C58 WeakPolarHBondContact O-CB 3.3Å; L55-C58 PolarHBondContact O-N 3.07Å; L55-C58 VanDerWaalsContact O-N 3.11Å; L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.34Å; L55-A67 HydrophobicContact CD2-CB 3.84Å; L55-L71 HydrophobicContact CD1-CD2 3.89Å; L55-L71 HydrophobicContact CD1-CG 4.41Å; L55-L71 HydrophobicContact CD2-CD1 4.13Å; L55-L71 HydrophobicContact CD2-CD2 4.39Å; L55-L71 HydrophobicContact CD2-CG 4.01Å; L55-V89 HydrophobicContact CD1-CG1 3.4Å; L55-Y93 HydrophobicContact CB-CD2 4.02Å; L55-Y93 HydrophobicContact CB-CG 4.5Å; L55-Y93 HydrophobicContact CD2-CD2 3.77Å; L55-Y93 HydrophobicContact CD2-CE2 4.08Å; L55-Y93 HydrophobicContact CD2-CG 4Å; L55-Y93 HydrophobicContact CG-CD2 4.39Å
56E95.9Very high94.5Very high65 Ų6537.4 Ų37.430%0.30418%0.181SC..Hα-helixtrans-52.2-48.1169.7-172.7-173.8130.700111.2L52 K53 V59 D60 L96L52-E56 WeakPolarHBondContact O-CB 3.47Å; L52-E56 PolarHBondContact O-N 2.69Å; K53-E56 WeakPolarHBondContact CD-OE2 3.23Å; K53-E56 WeakPolarHBondContact CE-OE2 3.37Å; K53-E56 IonicContact NZ-OE1 2.67Å; K53-E56 PolarHBondContact NZ-OE1 3.26Å; K53-E56 IonicContact NZ-OE2 3.66Å; K53-E56 PolarHBondContact NZ-OE2 2.75Å; E56-V59 PolarHBondContact O-N 3.35Å; E56-D60 PolarHBondContact O-N 3.21Å; E56-L96 HydrophobicContact CB-CD1 4.42Å
57L95Very high94.7Very high2 Ų235.3 Ų35.31%0.0117%0.17CC..Hα-helixtrans-70.4-32.7175.9-61.5179.3000113.4L19 K24 A27 L28 L31 K53 Y54 L55 V59 L61L19-L57 HydrophobicContact CD1-CD1 4.29Å; L19-L57 HydrophobicContact CD1-CD2 4.21Å; L19-L57 HydrophobicContact CD2-CD1 4.03Å; L19-L57 HydrophobicContact CD2-CD2 3.52Å; L19-L57 HydrophobicContact CD2-CG 4.42Å; K24-L57 HydrophobicContact CB-CD2 4.32Å; K24-L57 HydrophobicContact CD-CD2 4.39Å; K24-L57 HydrophobicContact CG-CD2 4.26Å; A27-L57 HydrophobicContact CB-CD1 3.75Å; L28-L57 HydrophobicContact CB-CB 4.24Å; L28-L57 HydrophobicContact CB-CD1 4.36Å; L28-L57 HydrophobicContact CD1-CB 4.18Å; L28-L57 HydrophobicContact CG-CB 4.42Å; L31-L57 HydrophobicContact CD1-CD1 4.36Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.29Å; Y54-L57 PolarHBondContact O-N 2.98Å; L55-L57 VanDerWaalsContact C-N 3.3Å; L55-L57 PolarHBondContact O-N 2.7Å; L57-V59 VanDerWaalsContact C-N 3.33Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.94Å
58C96Very high94.8Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-64.5-37.2172.8-670000112.3Y54 L55 R62 K63 A67Y54-C58 PolarHBondContact O-N 3.02Å; Y54-C58 PolarHBondContact O-SG 3.03Å; L55-C58 WeakPolarHBondContact O-CB 3.3Å; L55-C58 PolarHBondContact O-N 3.07Å; L55-C58 VanDerWaalsContact O-N 3.11Å; C58-R62 CarbonylContact O-C 3.56Å; C58-R62 WeakPolarHBondContact O-CA 3.41Å; C58-R62 PolarHBondContact O-N 3.42Å; C58-R62 VanDerWaalsContact O-N 3.09Å; C58-K63 PolarHBondContact O-N 3.28Å; C58-A67 HydrophobicContact CB-CB 3.89Å
59V96Very high94.9Very high3 Ų339.7 Ų39.72%0.01819%0.189CC..Hα-helixtrans-69.5-53175.5174.60000110.3L55 E56 L57 L61 R62 Y93 L96 K100 W149 F152L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.34Å; E56-V59 PolarHBondContact O-N 3.35Å; L57-V59 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.18Å; V59-R62 PolarHBondContact O-N 3.01Å; V59-Y93 HydrophobicContact CG2-CD2 3.69Å; V59-Y93 HydrophobicContact CG2-CE2 3.61Å; V59-L96 HydrophobicContact CG2-CB 4.45Å; V59-K100 HydrophobicContact CG1-CB 4.29Å; V59-K100 HydrophobicContact CG1-CG 3.84Å; V59-W149 HydrophobicContact CG1-CZ3 4.22Å; V59-W149 WeakPolarHBondContact O-CZ3 3.3Å; V59-F152 HydrophobicContact CB-CE1 4.31Å; V59-F152 HydrophobicContact CB-CZ 4.33Å; V59-F152 HydrophobicContact CG1-CE1 4.12Å; V59-F152 HydrophobicContact CG2-CE1 4.05Å; V59-F152 HydrophobicContact CG2-CZ 4.05Å
60D93.9Very high94.9Very high44 Ų4437.2 Ų37.224%0.23517%0.173CC..Hα-helixtrans-56.7-35.1179.8-100.76.1000113.2K24 E56 K100K24-D60 HydrophobicContact CD-CB 4.45Å; K24-D60 IonicContact NZ-OD2 2.81Å; K24-D60 PolarHBondContact NZ-OD2 3.01Å; E56-D60 PolarHBondContact O-N 3.21Å; D60-K100 WeakPolarHBondContact OD1-CE 3.32Å; D60-K100 IonicContact OD1-NZ 3.75Å; D60-K100 PolarHBondContact OD1-NZ 2.98Å
61L94.2Very high95Very high51 Ų5137.3 Ų37.327%0.26717%0.174SC..THydrogen-bonded Turntrans-94.22177.4-62.6174.5000113.7K24 Q25 L28 L57 V59 K63K24-L61 HydrophobicContact CB-CD1 4.03Å; K24-L61 HydrophobicContact CB-CD2 4.1Å; K24-L61 HydrophobicContact CB-CG 4.26Å; Q25-L61 HydrophobicContact CB-CD1 4.2Å; L28-L61 HydrophobicContact CD1-CD1 3.93Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.94Å; V59-L61 PolarHBondContact O-N 3.18Å; L61-K63 HydrophobicContact CB-CG 3.75Å; L61-K63 PolarHBondContact O-N 2.95Å
62R95.1Very high95Very high121 Ų12143.4 Ų43.446%0.45720%0.198SC..THydrogen-bonded Turntrans53.530.8-177.2-58.7-178-69.1-162.11.5114.1C58 V59 S64 W149 F152C58-R62 CarbonylContact O-C 3.56Å; C58-R62 WeakPolarHBondContact O-CA 3.41Å; C58-R62 PolarHBondContact O-N 3.42Å; C58-R62 VanDerWaalsContact O-N 3.09Å; V59-R62 PolarHBondContact O-N 3.01Å; R62-S64 PolarHBondContact O-N 3.37Å; R62-W149 HydrophobicContact CG-CE3 4Å; R62-W149 HydrophobicContact CG-CH2 3.69Å; R62-W149 HydrophobicContact CG-CZ2 4.23Å; R62-W149 HydrophobicContact CG-CZ3 3.56Å; R62-F152 HydrophobicContact CB-CD2 3.98Å; R62-F152 HydrophobicContact CB-CE2 4.42Å; R62-F152 HydrophobicContact CB-CG 4.44Å
63K94.7Very high94.8Very high76 Ų7643.5 Ų43.533%0.3320%0.196SC..  trans-89.365.8-175.4-60.6-66.1-176.61740112.5C58 L61 H65 L66 A67C58-K63 PolarHBondContact O-N 3.28Å; L61-K63 HydrophobicContact CB-CG 3.75Å; L61-K63 PolarHBondContact O-N 2.95Å; K63-H65 VanDerWaalsContact C-N 3.3Å; K63-H65 PolarHBondContact O-N 3.15Å; K63-L66 HydrophobicContact CB-CB 4.17Å; K63-L66 HydrophobicContact CB-CD1 3.93Å; K63-L66 HydrophobicContact CB-CG 4.16Å; K63-L66 HydrophobicContact CG-CD1 4.17Å; K63-L66 PolarHBondContact O-N 3.22Å; K63-A67 PolarHBondContact O-N 3Å
64S93.3Very high94.7Very high25 Ų2540.3 Ų40.318%0.17518%0.182CC..Hα-helixtrans-57.3-37-175.763.50000113.8R62 L66 A67 K68 Q159R62-S64 PolarHBondContact O-N 3.37Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.76Å; S64-A67 WeakPolarHBondContact O-CB 3.28Å; S64-A67 PolarHBondContact O-N 3.32Å; S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 PolarHBondContact O-N 3.01Å; S64-Q159 PolarHBondContact O-OE1 2.74Å
65H93.8Very high94.6Very high93 Ų9341.9 Ų41.943%0.43119%0.189SC..Hα-helixtrans-62.8-35.1177.670.8-90.7000113.1K63 K68 E69K63-H65 VanDerWaalsContact C-N 3.3Å; K63-H65 PolarHBondContact O-N 3.15Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; H65-E69 PolarHBondContact O-N 3.44Å
66L94.3Very high94.3Very high21 Ų2145.5 Ų45.511%0.1121%0.209CC..Hα-helixtrans-72.5-40.7175.5-61.1-179000110.7L28 Y32 Y54 K63 S64 K68 E69 G70L28-L66 HydrophobicContact CD1-CD1 4.4Å; L28-L66 HydrophobicContact CD2-CB 4.42Å; L28-L66 HydrophobicContact CD2-CD1 3.56Å; Y32-L66 HydrophobicContact CE2-CD2 4.39Å; Y54-L66 WeakPolarHBondContact OH-CB 3.46Å; Y54-L66 PolarHBondContact OH-O 3.16Å; K63-L66 HydrophobicContact CB-CB 4.17Å; K63-L66 HydrophobicContact CB-CD1 3.93Å; K63-L66 HydrophobicContact CB-CG 4.16Å; K63-L66 HydrophobicContact CG-CD1 4.17Å; K63-L66 PolarHBondContact O-N 3.22Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.76Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.03Å; L66-E69 PolarHBondContact O-N 2.97Å; L66-G70 PolarHBondContact O-N 2.97Å
67A95.2Very high94.1Very high0 Ų043.1 Ų43.10%020%0.198CC..Hα-helixtrans-57-46.4172.100000111.6L55 C58 K63 S64 G70 L71 Y93L55-A67 HydrophobicContact CD2-CB 3.84Å; C58-A67 HydrophobicContact CB-CB 3.89Å; K63-A67 PolarHBondContact O-N 3Å; S64-A67 WeakPolarHBondContact O-CB 3.28Å; S64-A67 PolarHBondContact O-N 3.32Å; A67-G70 PolarHBondContact O-N 3.44Å; A67-L71 VanDerWaalsContact O-CB 3.27Å; A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.48Å; A67-L71 PolarHBondContact O-N 3.18Å; A67-Y93 HydrophobicContact CB-CE1 4.41Å; A67-Y93 HydrophobicContact CB-CE2 3.9Å; A67-Y93 VanDerWaalsContact CB-OH 3.28Å; A67-Y93 WeakPolarHBondContact CB-OH 3.49Å
68K95.4Very high93.8Very high93 Ų9343 Ų4340%0.40420%0.197SC..Hα-helixtrans-57-50.2175.6-173.7-174.9-174.3170.90112.8S64 H65 L66 Y72 Q159S64-K68 WeakPolarHBondContact O-CB 3.36Å; S64-K68 PolarHBondContact O-N 3.01Å; H65-K68 WeakPolarHBondContact O-CB 3.45Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.03Å; K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.41Å; K68-Q159 HydrophobicContact CB-CG 4.3Å; K68-Q159 HydrophobicContact CD-CG 3.99Å; K68-Q159 HydrophobicContact CG-CB 4.42Å; K68-Q159 HydrophobicContact CG-CG 4.16Å
69E94.4Very high93.2Very high55 Ų5545.7 Ų45.726%0.25721%0.21SC..Hα-helixtrans-66.4-44.2-179.2-75.1-172.1-168.700111.9Y32 H65 L66 Y72 Q73 R1238Y32-E69 HydrophobicContact CE2-CB 4.18Å; Y32-E69 PolarHBondContact OH-OE2 3.24Å; H65-E69 PolarHBondContact O-N 3.44Å; L66-E69 PolarHBondContact O-N 2.97Å; E69-Y72 PolarHBondContact O-N 3.26Å; E69-Q73 WeakPolarHBondContact O-CG 3.28Å; E69-Q73 PolarHBondContact O-N 3.26Å; E69-R1238 IonicContact OE1-NH2 2.73Å
70G93.7Very high92.5Very high1 Ų154.3 Ų54.31%0.0125%0.25CS..Hα-helixtrans-61.3-47.3176.200000112.1L66 A67 Y72 Q73 Y74L66-G70 PolarHBondContact O-N 2.97Å; A67-G70 PolarHBondContact O-N 3.44Å; G70-Y72 VanDerWaalsContact C-N 3.29Å; G70-Y72 PolarHBondContact O-N 2.89Å; G70-Q73 PolarHBondContact O-N 3.21Å; G70-Y74 VanDerWaalsContact O-CB 3.26Å; G70-Y74 WeakPolarHBondContact O-CB 3.31Å; G70-Y74 PolarHBondContact O-N 2.88Å
71L95.3Very high91.9Very high3 Ų356.7 Ų56.72%0.01627%0.266CS..Hα-helixtrans-62-35.7176.2-76.9168.7000112.4M51 L55 A67 K75 V89 V90 Y93 L163M51-L71 HydrophobicContact CE-CB 4.45Å; M51-L71 HydrophobicContact CE-CD2 3.98Å; M51-L71 HydrophobicContact CE-CG 3.95Å; L55-L71 HydrophobicContact CD1-CD2 3.89Å; L55-L71 HydrophobicContact CD1-CG 4.41Å; L55-L71 HydrophobicContact CD2-CD1 4.13Å; L55-L71 HydrophobicContact CD2-CD2 4.39Å; L55-L71 HydrophobicContact CD2-CG 4.01Å; A67-L71 VanDerWaalsContact O-CB 3.27Å; A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.48Å; A67-L71 PolarHBondContact O-N 3.18Å; L71-K75 VanDerWaalsContact O-CB 3.31Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 2.96Å; L71-V89 HydrophobicContact CD2-CG1 4.09Å; L71-V90 HydrophobicContact CD2-CG2 3.87Å; L71-Y93 HydrophobicContact CD1-CD1 3.92Å; L71-Y93 HydrophobicContact CD1-CE1 3.99Å; L71-L163 HydrophobicContact CB-CD2 3.82Å
72Y94.8Very high91.6Very high127 Ų12756.6 Ų56.650%0.49827%0.265SS..Hα-helixtrans-66.6-44.8175-174.6-95.5000112.1K68 E69 G70 N76 L163K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.41Å; E69-Y72 PolarHBondContact O-N 3.26Å; G70-Y72 VanDerWaalsContact C-N 3.29Å; G70-Y72 PolarHBondContact O-N 2.89Å; Y72-N76 VanDerWaalsContact CE1-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å; Y72-N76 PolarHBondContact O-ND2 2.88Å; Y72-L163 HydrophobicContact CD2-CD1 4.26Å
73Q92.1Very high91.3Very high63 Ų6352.2 Ų52.229%0.29425%0.251SS..Hα-helixtrans-66.5-40.9174.3-60-52-23.400111.9I35 E69 G70 K75 N76 I77I35-Q73 HydrophobicContact CG2-CB 3.71Å; I35-Q73 HydrophobicContact CG2-CG 4.46Å; E69-Q73 WeakPolarHBondContact O-CG 3.28Å; E69-Q73 PolarHBondContact O-N 3.26Å; G70-Q73 PolarHBondContact O-N 3.21Å; Q73-K75 PolarHBondContact O-N 2.66Å; Q73-N76 WeakPolarHBondContact O-CB 3.49Å; Q73-N76 PolarHBondContact O-N 3.42Å; Q73-N76 VanDerWaalsContact O-N 3.09Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.49Å
74Y93.8Very high91.2Very high1 Ų155.3 Ų55.30%0.00426%0.264CS..Hα-helixtrans-61.3-44.1178-170.7-108.3000111.9H47 M51 G70 N76 I77 C78 S85 L86 V89H47-Y74 HydrophobicContact CB-CE2 4Å; M51-Y74 HydrophobicContact CB-CD2 3.97Å; M51-Y74 HydrophobicContact CB-CE2 3.85Å; M51-Y74 HydrophobicContact CB-CG 4.38Å; M51-Y74 HydrophobicContact CG-CD1 4.02Å; M51-Y74 HydrophobicContact CG-CD2 3.84Å; M51-Y74 HydrophobicContact CG-CE1 4.33Å; M51-Y74 HydrophobicContact CG-CE2 4.14Å; M51-Y74 HydrophobicContact CG-CG 3.77Å; M51-Y74 HydrophobicContact SD-CD2 4.07Å; M51-Y74 HydrophobicContact SD-CG 4Å; G70-Y74 VanDerWaalsContact O-CB 3.26Å; G70-Y74 WeakPolarHBondContact O-CB 3.31Å; G70-Y74 PolarHBondContact O-N 2.88Å; Y74-N76 VanDerWaalsContact C-N 3.31Å; Y74-N76 PolarHBondContact O-N 2.98Å; Y74-I77 WeakPolarHBondContact O-CB 3.32Å; Y74-I77 PolarHBondContact O-N 3.04Å; Y74-I77 VanDerWaalsContact O-N 3.09Å; Y74-C78 PolarHBondContact O-N 3.48Å; Y74-C78 PolarHBondContact O-SG 2.84Å; Y74-S85 PolarHBondContact OH-OG 3.14Å; Y74-L86 HydrophobicContact CD1-CD1 3.74Å; Y74-L86 HydrophobicContact CE1-CD1 4.3Å; Y74-V89 HydrophobicContact CD1-CG1 4.39Å; Y74-V89 HydrophobicContact CE1-CB 4.15Å; Y74-V89 HydrophobicContact CE1-CG1 4.2Å; Y74-V89 HydrophobicContact CE1-CG2 3.97Å
75K92.8Very high91.2Very high34 Ų3454.2 Ų54.215%0.14826%0.256CS..Hα-helixtrans-52.3-48.1169.7175-178175-1780111.6L71 Q73 I77 C78 Q79 L86 L163L71-K75 VanDerWaalsContact O-CB 3.31Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 2.96Å; Q73-K75 PolarHBondContact O-N 2.66Å; K75-I77 PolarHBondContact O-N 2.94Å; K75-C78 PolarHBondContact O-N 3.06Å; K75-Q79 WeakPolarHBondContact O-CB 3.37Å; K75-Q79 PolarHBondContact O-N 3.12Å; K75-L86 HydrophobicContact CB-CD1 4.25Å; K75-L86 HydrophobicContact CB-CD2 4.02Å; K75-L86 HydrophobicContact CG-CD2 3.98Å; K75-L163 HydrophobicContact CB-CD1 4.19Å; K75-L163 HydrophobicContact CD-CD1 3.65Å; K75-L163 HydrophobicContact CD-CG 4.14Å; K75-L163 PolarHBondContact NZ-O 3.24Å
76N90.9Very high91.2Very high77 Ų7749.8 Ų49.841%0.41224%0.236SC..Hα-helixtrans-63.2-30.9-179.8-61-31000112.7Y72 Q73 Y74Y72-N76 VanDerWaalsContact CE1-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.39Å; Y72-N76 PolarHBondContact O-N 2.93Å; Y72-N76 PolarHBondContact O-ND2 2.88Å; Q73-N76 WeakPolarHBondContact O-CB 3.49Å; Q73-N76 PolarHBondContact O-N 3.42Å; Q73-N76 VanDerWaalsContact O-N 3.09Å; Y74-N76 VanDerWaalsContact C-N 3.31Å; Y74-N76 PolarHBondContact O-N 2.98Å
77I91Very high91.2Very high15 Ų1550.7 Ų50.78%0.07724%0.24CC..Hα-helixtrans-75.1-42.6176.9-68.2168000111.4W43 Q73 Y74 K75W43-I77 HydrophobicContact CB-CG2 3.86Å; W43-I77 HydrophobicContact CG-CG2 4.48Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.49Å; Y74-I77 WeakPolarHBondContact O-CB 3.32Å; Y74-I77 PolarHBondContact O-N 3.04Å; Y74-I77 VanDerWaalsContact O-N 3.09Å; K75-I77 PolarHBondContact O-N 2.94Å
78C89.2Confident91.2Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-95.4-21.4-169.473.10000115.1Y74 K75 Q80 V81 N82Y74-C78 PolarHBondContact O-N 3.48Å; Y74-C78 PolarHBondContact O-SG 2.84Å; K75-C78 PolarHBondContact O-N 3.06Å; C78-Q80 PolarHBondContact O-N 2.96Å; C78-V81 PolarHBondContact O-N 2.98Å; C78-N82 CarbonylContact O-C 3.52Å; C78-N82 PolarHBondContact O-N 3.06Å
79Q82.7Confident91.2Very high57 Ų5750.6 Ų50.627%0.26624%0.244SC..THydrogen-bonded Turntrans-54.8-29.5-169.4173.9174.1-7.400115K75K75-Q79 WeakPolarHBondContact O-CB 3.37Å; K75-Q79 PolarHBondContact O-N 3.12Å
80Q81.6Confident91.3Very high184 Ų18448 Ų4886%0.8623%0.231SC*.THydrogen-bonded Turntrans-90.8-32.2177.1-65.2-173.6-3.800113.6C78C78-Q80 PolarHBondContact O-N 2.96Å
81V82.6Confident91.4Very high93 Ų9352.8 Ų52.856%0.56425%0.249SC*.THydrogen-bonded Turntrans-98.9-55.7-166.9-1780000112.5W43 C78W43-V81 HydrophobicContact CB-CB 4.13Å; W43-V81 HydrophobicContact CB-CG1 4.27Å; W43-V81 HydrophobicContact CB-CG2 4.34Å; W43-V81 HydrophobicContact CD2-CG1 4.39Å; W43-V81 HydrophobicContact CE3-CG1 3.91Å; C78-V81 PolarHBondContact O-N 2.98Å
82N87.4Confident91.4Very high49 Ų4954.1 Ų54.126%0.26226%0.26SS..  trans-149.393.9-176.7-178.86.6000109.9W43 C78 K84 S85W43-N82 HydrophobicContact CD2-CB 4.34Å; W43-N82 HydrophobicContact CH2-CB 4.29Å; W43-N82 HydrophobicContact CZ2-CB 4.11Å; W43-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W43-N82 HydrophobicContact CZ3-CB 4.47Å; C78-N82 CarbonylContact O-C 3.52Å; C78-N82 PolarHBondContact O-N 3.06Å; N82-K84 PolarHBondContact OD1-N 3.08Å; N82-S85 WeakPolarHBondContact O-CB 3.24Å; N82-S85 PolarHBondContact OD1-N 3.4Å
83I89.3Confident91.6Very high29 Ų2948.1 Ų48.115%0.14924%0.237CC..SBendtrans-79.1-19-177.9-155.9160.4000113.4S85 L86 E87 K169 V170I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-CB 3.29Å; I83-L86 WeakPolarHBondContact O-CB 3.33Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-L86 VanDerWaalsContact O-N 3.08Å; I83-E87 PolarHBondContact O-N 3.36Å; I83-K169 HydrophobicContact CD1-CB 3.86Å; I83-K169 HydrophobicContact CD1-CD 4.04Å; I83-V170 HydrophobicContact CD1-CG1 3.64Å; I83-V170 HydrophobicContact CG1-CG1 3.7Å
84K91.8Very high91.8Very high142 Ų14245.1 Ų45.162%0.61722%0.223SC*.Hα-helixtrans-63.7-40175.8-65.7-172.8175-171.60111.7N82 L86 E87 D88N82-K84 PolarHBondContact OD1-N 3.08Å; K84-L86 PolarHBondContact O-N 3.41Å; K84-L86 VanDerWaalsContact O-N 3.09Å; K84-E87 CarbonylContact O-C 3.6Å; K84-E87 WeakPolarHBondContact O-CA 3.38Å; K84-E87 WeakPolarHBondContact O-CB 3.45Å; K84-E87 PolarHBondContact O-N 3.12Å; K84-D88 PolarHBondContact O-N 2.94Å; K84-D88 VanDerWaalsContact O-OD2 3.09Å
85S93.1Very high91.9Very high1 Ų150.6 Ų50.61%0.00725%0.247CC..Hα-helixtrans-52.6-30.4171.8-163.30000112.9W43 E48 Y74 N82 I83 V89W43-S85 PolarHBondContact NE1-OG 2.75Å; E48-S85 WeakPolarHBondContact OE2-CB 3.42Å; E48-S85 PolarHBondContact OE2-OG 2.91Å; Y74-S85 PolarHBondContact OH-OG 3.14Å; N82-S85 WeakPolarHBondContact O-CB 3.24Å; N82-S85 PolarHBondContact OD1-N 3.4Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.07Å; S85-V89 VanDerWaalsContact O-CB 3.27Å; S85-V89 WeakPolarHBondContact O-CB 3.28Å; S85-V89 WeakPolarHBondContact O-CG2 3.33Å; S85-V89 PolarHBondContact O-N 3.45Å
86L93.9Very high92.1Very high1 Ų151.4 Ų51.41%0.00525%0.253CS..Hα-helixtrans-74.4-40.1170.4-174.163.6000112.7Y74 K75 I83 K84 V90 L164Y74-L86 HydrophobicContact CD1-CD1 3.74Å; Y74-L86 HydrophobicContact CE1-CD1 4.3Å; K75-L86 HydrophobicContact CB-CD1 4.25Å; K75-L86 HydrophobicContact CB-CD2 4.02Å; K75-L86 HydrophobicContact CG-CD2 3.98Å; I83-L86 VanDerWaalsContact O-CB 3.29Å; I83-L86 WeakPolarHBondContact O-CB 3.33Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-L86 VanDerWaalsContact O-N 3.08Å; K84-L86 PolarHBondContact O-N 3.41Å; K84-L86 VanDerWaalsContact O-N 3.09Å; L86-V90 HydrophobicContact CD1-CG2 4.27Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.22Å; L86-L164 HydrophobicContact CD2-CD2 4.38Å
87E94.1Very high92.3Very high40 Ų4047.8 Ų47.819%0.18723%0.233CC..Hα-helixtrans-65.1-45.9179.5-57.6-166.1130.100111.3I83 K84 V90 R91 V170 L173I83-E87 PolarHBondContact O-N 3.36Å; K84-E87 CarbonylContact O-C 3.6Å; K84-E87 WeakPolarHBondContact O-CA 3.38Å; K84-E87 WeakPolarHBondContact O-CB 3.45Å; K84-E87 PolarHBondContact O-N 3.12Å; E87-V90 PolarHBondContact O-N 3.36Å; E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-V170 HydrophobicContact CG-CG1 4.1Å; E87-L173 HydrophobicContact CB-CD2 3.78Å; E87-L173 HydrophobicContact CG-CD2 3.84Å
88D94.5Very high92.5Very high89 Ų8949 Ų4948%0.47624%0.238SC..Hα-helixtrans-63.9-44.7179.2-61-44.3000111.2K84 R91 A92K84-D88 PolarHBondContact O-N 2.94Å; K84-D88 VanDerWaalsContact O-OD2 3.09Å; D88-R91 PolarHBondContact O-N 3.42Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-A92 PolarHBondContact O-N 2.99Å
89V95.4Very high92.9Very high1 Ų152.8 Ų52.81%0.00626%0.256CS..Hα-helixtrans-63.4-40.6175.7165.30000112.5E48 M51 L52 L55 L71 Y74 S85 Y93E48-V89 HydrophobicContact CG-CG2 4.09Å; M51-V89 HydrophobicContact CB-CG1 4.23Å; M51-V89 HydrophobicContact CB-CG2 4.47Å; M51-V89 HydrophobicContact CG-CG1 3.61Å; L52-V89 HydrophobicContact CD2-CG2 4.13Å; L52-V89 HydrophobicContact CG-CG2 4.29Å; L55-V89 HydrophobicContact CD1-CG1 3.4Å; L71-V89 HydrophobicContact CD2-CG1 4.09Å; Y74-V89 HydrophobicContact CD1-CG1 4.39Å; Y74-V89 HydrophobicContact CE1-CB 4.15Å; Y74-V89 HydrophobicContact CE1-CG1 4.2Å; Y74-V89 HydrophobicContact CE1-CG2 3.97Å; S85-V89 VanDerWaalsContact O-CB 3.27Å; S85-V89 WeakPolarHBondContact O-CB 3.28Å; S85-V89 WeakPolarHBondContact O-CG2 3.33Å; S85-V89 PolarHBondContact O-N 3.45Å; V89-Y93 PolarHBondContact O-N 3.44Å
90V96.4Very high93.4Very high0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-71.4-39.8177.4168.90000111.7L71 L86 E87 A92 Y93 L94 C160 L163 L164 L173 I177L71-V90 HydrophobicContact CD2-CG2 3.87Å; L86-V90 HydrophobicContact CD1-CG2 4.27Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.22Å; E87-V90 PolarHBondContact O-N 3.36Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-Y93 PolarHBondContact O-N 2.79Å; V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 PolarHBondContact O-N 2.84Å; V90-L94 VanDerWaalsContact O-N 3.09Å; V90-C160 HydrophobicContact CG1-CB 4.23Å; V90-L163 HydrophobicContact CG2-CD2 4.38Å; V90-L164 HydrophobicContact CG1-CD1 4.36Å; V90-L173 HydrophobicContact CB-CD2 4.28Å; V90-L173 HydrophobicContact CG1-CD2 4.24Å; V90-I177 HydrophobicContact CG1-CD1 3.7Å
91R96.4Very high94Very high103 Ų10344.8 Ų44.839%0.38922%0.218SC..Hα-helixtrans-60.7-43.6173.2-74.1179.9-171.1-80.3-1.8111.1E87 D88 K95 L173 D176E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.15Å; D88-R91 PolarHBondContact O-N 3.42Å; R91-K95 WeakPolarHBondContact O-CB 3.48Å; R91-K95 PolarHBondContact O-N 3.14Å; R91-L173 HydrophobicContact CG-CD1 3.73Å; R91-D176 IonicContact CZ-OD2 3.7Å; R91-D176 IonicContact NH1-OD2 2.71Å; R91-D176 PolarHBondContact NH1-OD2 3.2Å; R91-D176 IonicContact NH2-OD2 2.62Å; R91-D176 PolarHBondContact NH2-OD2 3.02Å
92A96.5Very high94.6Very high30 Ų3044.5 Ų44.525%0.24821%0.21CC..Hα-helixtrans-63.2-43.9176.800000112.7L52 D88 V90 K95 L96L52-A92 HydrophobicContact CD2-CB 3.57Å; D88-A92 WeakPolarHBondContact O-CB 3.39Å; D88-A92 PolarHBondContact O-N 2.99Å; V90-A92 VanDerWaalsContact C-N 3.34Å; A92-K95 PolarHBondContact O-N 3.16Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 WeakPolarHBondContact O-CG 3.43Å; A92-L96 PolarHBondContact O-N 3.25Å
93Y97.3Very high94.9Very high1 Ų145.1 Ų45.10%0.00422%0.216CC..Hα-helixtrans-60.9-46.2177.2170.5-124.4000113.1L55 V59 A67 L71 V89 V90 L96 A97 F152 S156L55-Y93 HydrophobicContact CB-CD2 4.02Å; L55-Y93 HydrophobicContact CB-CG 4.5Å; L55-Y93 HydrophobicContact CD2-CD2 3.77Å; L55-Y93 HydrophobicContact CD2-CE2 4.08Å; L55-Y93 HydrophobicContact CD2-CG 4Å; L55-Y93 HydrophobicContact CG-CD2 4.39Å; V59-Y93 HydrophobicContact CG2-CD2 3.69Å; V59-Y93 HydrophobicContact CG2-CE2 3.61Å; A67-Y93 HydrophobicContact CB-CE1 4.41Å; A67-Y93 HydrophobicContact CB-CE2 3.9Å; A67-Y93 VanDerWaalsContact CB-OH 3.28Å; A67-Y93 WeakPolarHBondContact CB-OH 3.49Å; L71-Y93 HydrophobicContact CD1-CD1 3.92Å; L71-Y93 HydrophobicContact CD1-CE1 3.99Å; V89-Y93 PolarHBondContact O-N 3.44Å; V90-Y93 PolarHBondContact O-N 2.79Å; Y93-L96 PolarHBondContact O-N 2.7Å; Y93-A97 WeakPolarHBondContact O-CB 3.19Å; Y93-A97 PolarHBondContact O-N 2.87Å; Y93-F152 HydrophobicContact CE2-CZ 4.31Å; Y93-S156 WeakPolarHBondContact OH-CB 3.48Å
94L96.9Very high95.1Very high1 Ų143.8 Ų43.81%0.00521%0.209CC..Hα-helixtrans-67.2-40.5177.9-68.4176.5000111.4V90 L96 A97 E98 Y157 C160 I177V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 PolarHBondContact O-N 2.84Å; V90-L94 VanDerWaalsContact O-N 3.09Å; L94-L96 PolarHBondContact O-N 2.81Å; L94-A97 PolarHBondContact O-N 3.32Å; L94-A97 VanDerWaalsContact O-N 3.17Å; L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 VanDerWaalsContact O-CG 3.25Å; L94-E98 WeakPolarHBondContact O-CG 3.45Å; L94-E98 PolarHBondContact O-N 3.48Å; L94-Y157 HydrophobicContact CD1-CD1 4.02Å; L94-Y157 HydrophobicContact CD1-CE1 4.25Å; L94-Y157 HydrophobicContact CD2-CD1 3.74Å; L94-Y157 HydrophobicContact CD2-CE1 4.14Å; L94-Y157 HydrophobicContact CD2-CG 4.41Å; L94-Y157 HydrophobicContact CG-CD1 4.44Å; L94-C160 HydrophobicContact CD1-CB 4.31Å; L94-I177 HydrophobicContact CD1-CB 4.41Å; L94-I177 HydrophobicContact CD1-CD1 3.64Å; L94-I177 HydrophobicContact CD1-CG1 3.65Å; L94-I177 HydrophobicContact CD1-CG2 3.89Å
95K96.6Very high95.1Very high115 Ų11540.1 Ų40.150%0.519%0.193SC..Hα-helixtrans-61.6-42.8175.8-170173.5-171.9-69.80112.6R91 A92 A97 E98 E99R91-K95 WeakPolarHBondContact O-CB 3.48Å; R91-K95 PolarHBondContact O-N 3.14Å; A92-K95 PolarHBondContact O-N 3.16Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.88Å; K95-E98 PolarHBondContact O-N 3.31Å; K95-E99 IonicContact NZ-OE1 3.73Å; K95-E99 PolarHBondContact NZ-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.28Å; K95-E99 WeakPolarHBondContact O-CG 3.37Å; K95-E99 PolarHBondContact O-N 3.11Å
96L95.9Very high95.1Very high52 Ų5245.4 Ų45.427%0.27222%0.218SC..Hα-helixtrans-64.5-35.2174.7-73.6169.9000112.4E56 V59 A92 Y93 L94 K100E56-L96 HydrophobicContact CB-CD1 4.42Å; V59-L96 HydrophobicContact CG2-CB 4.45Å; A92-L96 WeakPolarHBondContact O-CB 3.43Å; A92-L96 WeakPolarHBondContact O-CG 3.43Å; A92-L96 PolarHBondContact O-N 3.25Å; Y93-L96 PolarHBondContact O-N 2.7Å; L94-L96 PolarHBondContact O-N 2.81Å; L96-K100 WeakPolarHBondContact O-CB 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.47Å
97A96.4Very high95Very high0 Ų050.2 Ų50.20%024%0.24CC..Hα-helixtrans-71.8-42.5174.900000111.8Y93 L94 K95 K100 T101 F152 L153Y93-A97 WeakPolarHBondContact O-CB 3.19Å; Y93-A97 PolarHBondContact O-N 2.87Å; L94-A97 PolarHBondContact O-N 3.32Å; L94-A97 VanDerWaalsContact O-N 3.17Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.88Å; A97-K100 PolarHBondContact O-N 3.37Å; A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.42Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 VanDerWaalsContact O-N 3.1Å; A97-F152 HydrophobicContact CB-CE1 4.03Å; A97-L153 HydrophobicContact CB-CD1 3.78Å
98E95.2Very high94.8Very high40 Ų4048.3 Ų48.319%0.18723%0.231CC..Hα-helixtrans-55.8-56.9173.5-73.7165.8174.700110.1L94 K95 K100 T101 E102 L153 Y157 Q180L94-E98 WeakPolarHBondContact O-CB 3.46Å; L94-E98 VanDerWaalsContact O-CG 3.25Å; L94-E98 WeakPolarHBondContact O-CG 3.45Å; L94-E98 PolarHBondContact O-N 3.48Å; K95-E98 PolarHBondContact O-N 3.31Å; E98-K100 VanDerWaalsContact C-N 3.33Å; E98-K100 PolarHBondContact O-N 3.02Å; E98-T101 WeakPolarHBondContact O-CA 3.02Å; E98-T101 PolarHBondContact O-N 2.85Å; E98-T101 PolarHBondContact O-OG1 3.44Å; E98-E102 PolarHBondContact O-N 3.28Å; E98-L153 HydrophobicContact CG-CD1 4.05Å; E98-L153 HydrophobicContact CG-CD2 4.33Å; E98-Y157 WeakPolarHBondContact CG-OH 3.41Å; E98-Y157 PolarHBondContact OE1-OH 2.85Å; E98-Q180 PolarHBondContact OE1-NE2 3.18Å
99E96.1Very high94.6Very high81 Ų8148.1 Ų48.138%0.37923%0.228SC..Hα-helixtrans-53.7-44.7178.3-74.3169.516900112.7K95 T101 E102 T103K95-E99 IonicContact NZ-OE1 3.73Å; K95-E99 PolarHBondContact NZ-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.28Å; K95-E99 WeakPolarHBondContact O-CG 3.37Å; K95-E99 PolarHBondContact O-N 3.11Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.44Å; E99-E102 PolarHBondContact O-N 3.08Å; E99-T103 PolarHBondContact O-N 2.95Å; E99-T103 PolarHBondContact O-OG1 3.43Å
100K94.4Very high94.4Very high72 Ų7253.4 Ų53.431%0.31325%0.252SS..Hα-helixtrans-68.3-24.8177.9-70.8-75.6-167.1166.90113.7V59 D60 L96 A97 E98 T103 A104 W149V59-K100 HydrophobicContact CG1-CB 4.29Å; V59-K100 HydrophobicContact CG1-CG 3.84Å; D60-K100 WeakPolarHBondContact OD1-CE 3.32Å; D60-K100 IonicContact OD1-NZ 3.75Å; D60-K100 PolarHBondContact OD1-NZ 2.98Å; L96-K100 WeakPolarHBondContact O-CB 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.47Å; A97-K100 PolarHBondContact O-N 3.37Å; E98-K100 VanDerWaalsContact C-N 3.33Å; E98-K100 PolarHBondContact O-N 3.02Å; K100-T103 PolarHBondContact O-OG1 3.13Å; K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.3Å; K100-A104 PolarHBondContact O-N 3.32Å; K100-W149 HydrophobicContact CB-CE3 4.12Å; K100-W149 HydrophobicContact CB-CH2 4.37Å; K100-W149 HydrophobicContact CB-CZ3 3.94Å; K100-W149 HydrophobicContact CG-CZ3 4.5Å
101T94.6Very high93.8Very high1 Ų156.7 Ų56.71%0.00627%0.269CS..Hα-helixtrans-79.6-31.9171.766.80000112.4A97 E98 E99 K105 L146 W149 L153 Y188A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.42Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 VanDerWaalsContact O-N 3.1Å; E98-T101 WeakPolarHBondContact O-CA 3.02Å; E98-T101 PolarHBondContact O-N 2.85Å; E98-T101 PolarHBondContact O-OG1 3.44Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.44Å; T101-K105 PolarHBondContact O-N 3.07Å; T101-L146 WeakPolarHBondContact O-CD1 3.42Å; T101-W149 HydrophobicContact CG2-CB 3.92Å; T101-L153 HydrophobicContact CG2-CB 3.62Å; T101-L153 HydrophobicContact CG2-CD2 3.63Å; T101-L153 HydrophobicContact CG2-CG 4.21Å; T101-L153 WeakPolarHBondContact OG1-CD2 3.48Å; T101-Y188 PolarHBondContact OG1-OH 3.1Å
102E93.6Very high93.3Very high87 Ų8752.2 Ų52.241%0.40725%0.252SS..Hα-helixtrans-73.6-42.7178.1-67.8-176.115100110.7E98 E99 A104 K105 E106 Q187E98-E102 PolarHBondContact O-N 3.28Å; E99-E102 PolarHBondContact O-N 3.08Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.42Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 VanDerWaalsContact O-N 3.09Å; E102-E106 PolarHBondContact O-N 3.45Å; E102-Q187 PolarHBondContact OE1-NE2 3.06Å
103T94.6Very high92.6Very high61 Ų6156.3 Ų56.337%0.37427%0.27SS..Hα-helixtrans-61.8-40.917160.20000112.2E99 K100 K105 E106 E107E99-T103 PolarHBondContact O-N 2.95Å; E99-T103 PolarHBondContact O-OG1 3.43Å; K100-T103 PolarHBondContact O-OG1 3.13Å; T103-K105 PolarHBondContact O-N 2.99Å; T103-E106 PolarHBondContact O-N 2.93Å; T103-E107 WeakPolarHBondContact O-CB 3.11Å; T103-E107 VanDerWaalsContact O-CG 3.32Å; T103-E107 WeakPolarHBondContact O-CG 3.36Å; T103-E107 PolarHBondContact O-N 3.16Å
104A93.3Very high91.9Very high1 Ų162.2 Ų62.21%0.00830%0.301CS..Hα-helixtrans-67.5-20.2176.400000113.5K100 E102 S108 L146 W149K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.3Å; K100-A104 PolarHBondContact O-N 3.32Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.42Å; A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.34Å; A104-L146 HydrophobicContact CB-CD1 4.42Å; A104-W149 HydrophobicContact CB-CB 4.28Å; A104-W149 HydrophobicContact CB-CG 3.91Å
105K92.3Very high90.8Very high65 Ų6565.6 Ų65.628%0.28332%0.318SS..Hα-helixtrans-78.5-44.4170.5-177.7-178.3176.5-176.20110.6T101 E102 T103 S108 Q109 L146 Y188T101-K105 PolarHBondContact O-N 3.07Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 VanDerWaalsContact O-N 3.09Å; T103-K105 PolarHBondContact O-N 2.99Å; K105-S108 WeakPolarHBondContact O-CB 3.19Å; K105-S108 PolarHBondContact O-N 2.84Å; K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.4Å; K105-Q109 PolarHBondContact O-N 3.13Å; K105-L146 HydrophobicContact CB-CD1 3.9Å; K105-L146 HydrophobicContact CB-CD2 4.04Å; K105-L146 HydrophobicContact CG-CD2 4Å; K105-Y188 HydrophobicContact CD-CE1 4.24Å
106E93.1Very high89.4Confident112 Ų11264.8 Ų64.852%0.52332%0.316SS..Hα-helixtrans-60.5-44.1175.4-68.6177.217100111.3E102 T103 S108 Q109 Q110E102-E106 PolarHBondContact O-N 3.45Å; T103-E106 PolarHBondContact O-N 2.93Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.44Å; E106-Q109 PolarHBondContact O-N 3Å; E106-Q110 WeakPolarHBondContact O-CB 3.46Å; E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 2.96Å
107E91.5Very high87.9Confident102 Ų10269.3 Ų69.348%0.47734%0.341SS..Hα-helixtrans-56.2-44.1171.6-73.2168.1-172.700112.1T103 M111T103-E107 WeakPolarHBondContact O-CB 3.11Å; T103-E107 VanDerWaalsContact O-CG 3.32Å; T103-E107 WeakPolarHBondContact O-CG 3.36Å; T103-E107 PolarHBondContact O-N 3.16Å; E107-M111 WeakPolarHBondContact O-CB 3.37Å; E107-M111 PolarHBondContact O-N 3.09Å
108S90.6Very high86.3Confident0 Ų074.9 Ų74.90%037%0.37CS..Hα-helixtrans-67-40179.2-168.80000112.7A104 K105 E106 M111 V112 T141 D142A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.34Å; K105-S108 WeakPolarHBondContact O-CB 3.19Å; K105-S108 PolarHBondContact O-N 2.84Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.44Å; S108-M111 PolarHBondContact O-N 2.98Å; S108-V112 WeakPolarHBondContact O-CG2 3.32Å; S108-V112 PolarHBondContact O-N 3.39Å; S108-T141 VanDerWaalsContact OG-C 3.3Å; S108-T141 PolarHBondContact OG-OG1 3.24Å; S108-D142 WeakPolarHBondContact CB-OD1 3.38Å; S108-D142 PolarHBondContact OG-N 2.89Å; S108-D142 PolarHBondContact OG-OD1 2.97Å
109Q90Very high84.5Confident85 Ų8581.4 Ų81.440%0.39741%0.407SS..Hα-helixtrans-72.2-36.7177.3-69-175.4-52.800112.2K105 E106 V112 L113K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.4Å; K105-Q109 PolarHBondContact O-N 3.13Å; E106-Q109 PolarHBondContact O-N 3Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q109-L113 WeakPolarHBondContact O-CG 3.2Å; Q109-L113 PolarHBondContact O-N 2.8Å
110Q89.9Confident82.8Confident112 Ų11282.6 Ų82.652%0.52342%0.415SS..Hα-helixtrans-62.5-46171.7-73.4167.319.300110.9E106 V112 L113 D114E106-Q110 WeakPolarHBondContact O-CB 3.46Å; E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 2.96Å; Q110-V112 PolarHBondContact O-N 3.13Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 2.7Å; Q110-D114 PolarHBondContact O-N 2.75Å
111M85.6Confident81.3Confident70 Ų7085.5 Ų85.535%0.34543%0.433SS..Hα-helixtrans-60.1-29177.1-172.8176.4-176.700113.4E107 S108 I115 T141 L145E107-M111 WeakPolarHBondContact O-CB 3.37Å; E107-M111 PolarHBondContact O-N 3.09Å; S108-M111 PolarHBondContact O-N 2.98Å; M111-I115 HydrophobicContact CE-CD1 4.17Å; M111-I115 HydrophobicContact CG-CD1 4.05Å; M111-I115 WeakPolarHBondContact O-CB 3.42Å; M111-I115 VanDerWaalsContact O-CD1 3.27Å; M111-I115 WeakPolarHBondContact O-CD1 3.39Å; M111-I115 WeakPolarHBondContact O-CG1 3.46Å; M111-I115 PolarHBondContact O-N 3.08Å; M111-T141 HydrophobicContact CG-CG2 4.15Å; M111-T141 HydrophobicContact SD-CG2 4.14Å; M111-L145 HydrophobicContact SD-CD1 3.79Å
112V84.9Confident79.9Confident8 Ų892.7 Ų92.75%0.04847%0.467CS..Hα-helixtrans-73.1-43.1173.5174.20000111.3S108 Q109 Q110 D114 I115 E116 Q138 T141S108-V112 WeakPolarHBondContact O-CG2 3.32Å; S108-V112 PolarHBondContact O-N 3.39Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q110-V112 PolarHBondContact O-N 3.13Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.1Å; V112-I115 CarbonylContact O-C 3.55Å; V112-I115 PolarHBondContact O-N 3.15Å; V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.45Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 2.88Å; V112-Q138 HydrophobicContact CG2-CB 4.24Å; V112-T141 HydrophobicContact CG2-CG2 3.82Å; V112-T141 WeakPolarHBondContact CG2-OG1 3.44Å
113L82.2Confident79.1Confident117 Ų11791.4 Ų91.461%0.61346%0.464SS*.Hα-helixtrans-60.5-43175.1-65.3169.9000111.3Q109 Q110 I115 E116 D117Q109-L113 WeakPolarHBondContact O-CG 3.2Å; Q109-L113 PolarHBondContact O-N 2.8Å; Q110-L113 WeakPolarHBondContact O-CB 3.49Å; Q110-L113 PolarHBondContact O-N 2.7Å; L113-I115 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.44Å; L113-D117 PolarHBondContact O-N 3.49Å
114D81.3Confident78.4Confident124 Ų12493.3 Ų93.366%0.66348%0.478SS*.Hα-helixtrans-63.7-19.4175.4-64.7-23.9000113.4Q110 V112Q110-D114 PolarHBondContact O-N 2.75Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.1Å
115I75.6Confident77.9Confident72 Ų72100.3 Ų100.337%0.36951%0.511SS..Hα-helixtrans-96.3-29.9177.1-71.8169.1000111.7M111 V112 L113 T141M111-I115 HydrophobicContact CE-CD1 4.17Å; M111-I115 HydrophobicContact CG-CD1 4.05Å; M111-I115 WeakPolarHBondContact O-CB 3.42Å; M111-I115 VanDerWaalsContact O-CD1 3.27Å; M111-I115 WeakPolarHBondContact O-CD1 3.39Å; M111-I115 WeakPolarHBondContact O-CG1 3.46Å; M111-I115 PolarHBondContact O-N 3.08Å; V112-I115 CarbonylContact O-C 3.55Å; V112-I115 PolarHBondContact O-N 3.15Å; L113-I115 PolarHBondContact O-N 3.42Å; I115-T141 HydrophobicContact CD1-CG2 4.49Å
116E66.3Low77.4Confident98 Ų9898.9 Ų98.946%0.45851%0.509SS..Hα-helixtrans-86.2-15.9179.4-71.1-178.1-176.500113.6V112 L113 L118 T137V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact CG1-OE1 3.45Å; V112-E116 WeakPolarHBondContact O-CG 3.45Å; V112-E116 PolarHBondContact O-N 2.88Å; L113-E116 PolarHBondContact O-N 3.44Å; E116-L118 PolarHBondContact O-N 3.27Å; E116-T137 PolarHBondContact OE1-OG1 2.95Å
117D64.9Low76.9Confident148 Ų14897 Ų9779%0.79150%0.504SS*.THydrogen-bonded Turntrans-70.5-1.7168.1-159.749000113.1L113L113-D117 PolarHBondContact O-N 3.49Å
118L63.1Low76.6Confident116 Ų11697.9 Ų97.961%0.60751%0.512SS*.SBendtrans-82.3111.8167.1-72.2159.2000109.8E116 N120E116-L118 PolarHBondContact O-N 3.27Å; L118-N120 PolarHBondContact O-N 2.83Å
119D55.8Low76.4Confident178 Ų178102.1 Ų102.195%0.95253%0.534SS*.SBendtrans-44.7-12.4-178.6-79.8-49.2000117.4
120N61.7Low76.2Confident106 Ų106101.5 Ų101.557%0.56754%0.539SS*.  trans-120.569-174.6-166.522.7000113L118 Q122L118-N120 PolarHBondContact O-N 2.83Å; N120-Q122 PolarHBondContact O-N 2.85Å; N120-Q122 VanDerWaalsContact O-N 3.1Å
121I61.5Low76Confident133 Ų133100.3 Ų100.368%0.68255%0.549SS*.  trans-51.9-31.7179.1-58.2168.2000112.7T123 S126I121-T123 PolarHBondContact O-N 3.38Å; I121-S126 PolarHBondContact O-OG 3.5Å; I121-S126 VanDerWaalsContact O-OG 3.07Å
122Q67Low76.3Confident152 Ų152103.1 Ų103.171%0.7157%0.569SS**  trans-94.668.2179-65.1-174.60.800111.7N120 V127N120-Q122 PolarHBondContact O-N 2.85Å; N120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-V127 HydrophobicContact CB-CG2 4.29Å
123T76Confident76.6Confident59 Ų59104.2 Ų104.236%0.36258%0.578SS.*  trans-67.7147.3165.270.50000109.8I121 E125 S126 V127I121-T123 PolarHBondContact O-N 3.38Å; T123-E125 PolarHBondContact O-N 3.07Å; T123-E125 VanDerWaalsContact O-N 3.11Å; T123-S126 PolarHBondContact N-OG 2.87Å; T123-S126 PolarHBondContact O-N 3.03Å; T123-S126 PolarHBondContact O-OG 2.87Å; T123-S126 VanDerWaalsContact O-OG 3.06Å; T123-S126 WeakPolarHBondContact OG1-CB 3.43Å; T123-S126 PolarHBondContact OG1-N 3.2Å; T123-S126 PolarHBondContact OG1-OG 3.2Å; T123-V127 WeakPolarHBondContact O-CG2 3.17Å; T123-V127 PolarHBondContact O-N 3.1Å
124P80.6Confident76.9Confident102 Ų102103.1 Ų103.166%0.66259%0.594SS**Hα-helixtrans-55.9-31.7177.1-27.435.8000113L128P124-L128 WeakPolarHBondContact O-CB 3.37Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.17Å; P124-L128 PolarHBondContact O-N 3.47Å
125E82Confident77.2Confident148 Ų148100.2 Ų100.269%0.69258%0.577SS**Hα-helixtrans-72-39175.8-61-179.5179.700112.7T123 V127 L129T123-E125 PolarHBondContact O-N 3.07Å; T123-E125 VanDerWaalsContact O-N 3.11Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-L129 WeakPolarHBondContact O-CB 3.35Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.34Å; E125-L129 PolarHBondContact O-N 2.91Å
126S81.1Confident77.8Confident35 Ų35101.2 Ų101.225%0.24558%0.583CS.*Hα-helixtrans-66.5-39.2175.376.90000111.1I121 T123 L129 S130I121-S126 PolarHBondContact O-OG 3.5Å; I121-S126 VanDerWaalsContact O-OG 3.07Å; T123-S126 PolarHBondContact N-OG 2.87Å; T123-S126 PolarHBondContact O-N 3.03Å; T123-S126 PolarHBondContact O-OG 2.87Å; T123-S126 VanDerWaalsContact O-OG 3.06Å; T123-S126 WeakPolarHBondContact OG1-CB 3.43Å; T123-S126 PolarHBondContact OG1-N 3.2Å; T123-S126 PolarHBondContact OG1-OG 3.2Å; S126-L129 PolarHBondContact O-N 3.07Å; S126-S130 WeakPolarHBondContact O-CB 3.15Å; S126-S130 PolarHBondContact O-N 3.42Å; S126-S130 PolarHBondContact O-OG 3.07Å
127V83.1Confident78.7Confident71 Ų7199 Ų9943%0.4358%0.576SS.*Hα-helixtrans-62.6-51.6174.5176.20000111.2Q122 T123 E125 L129 S130 A131Q122-V127 HydrophobicContact CB-CG2 4.29Å; T123-V127 WeakPolarHBondContact O-CG2 3.17Å; T123-V127 PolarHBondContact O-N 3.1Å; E125-V127 VanDerWaalsContact C-N 3.34Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 2.98Å; V127-S130 PolarHBondContact O-N 3.38Å; V127-S130 VanDerWaalsContact O-N 3.12Å; V127-S130 PolarHBondContact O-OG 3.2Å; V127-A131 PolarHBondContact O-N 2.98Å
128L86.2Confident79.8Confident122 Ų12294 Ų9464%0.63955%0.548SS*.Hα-helixtrans-57.6-42.6177.7-77170.2000112.4P124 A131 V132P124-L128 WeakPolarHBondContact O-CB 3.37Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.17Å; P124-L128 PolarHBondContact O-N 3.47Å; L128-A131 PolarHBondContact O-N 3.46Å; L128-V132 PolarHBondContact O-N 2.93Å
129L85.4Confident81Confident88 Ų8891.8 Ų91.846%0.46154%0.536SS..Hα-helixtrans-68.2-39.1176.7-69.6169.1000111.5E125 S126 V127 A131 V132 S133 R140E125-L129 WeakPolarHBondContact O-CB 3.35Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.34Å; E125-L129 PolarHBondContact O-N 2.91Å; S126-L129 PolarHBondContact O-N 3.07Å; V127-L129 VanDerWaalsContact C-N 3.31Å; V127-L129 PolarHBondContact O-N 2.98Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.25Å; L129-V132 PolarHBondContact O-N 2.86Å; L129-S133 PolarHBondContact O-N 3.41Å; L129-R140 VanDerWaalsContact CD1-NH1 3.29Å
130S85.3Confident82.6Confident72 Ų7287 Ų8750%0.50351%0.505SS..Hα-helixtrans-64-27.8176.276.90000114S126 V127 V132 S133S126-S130 WeakPolarHBondContact O-CB 3.15Å; S126-S130 PolarHBondContact O-N 3.42Å; S126-S130 PolarHBondContact O-OG 3.07Å; V127-S130 PolarHBondContact O-N 3.38Å; V127-S130 VanDerWaalsContact O-N 3.12Å; V127-S130 PolarHBondContact O-OG 3.2Å; S130-V132 VanDerWaalsContact C-N 3.31Å; S130-S133 WeakPolarHBondContact CA-O 3.42Å
131A86.5Confident83.9Confident87 Ų8782.4 Ų82.472%0.71948%0.481SS*.Hα-helixtrans-75.4-19.7174.700000113.1V127 L128 L129V127-A131 PolarHBondContact O-N 2.98Å; L128-A131 PolarHBondContact O-N 3.46Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.25Å
132V92.9Very high85.3Confident129 Ų12977.5 Ų77.578%0.78246%0.456SS*.Hα-helixtrans-100.2-39.7179.7177.10000111.9L128 L129 S130L128-V132 PolarHBondContact O-N 2.93Å; L129-V132 PolarHBondContact O-N 2.86Å; S130-V132 VanDerWaalsContact C-N 3.31Å
133S89.3Confident86.5Confident32 Ų3275.9 Ų75.922%0.22444%0.444CS..  trans-140.3138.7175.469.50000112L129 S130 E135L129-S133 PolarHBondContact O-N 3.41Å; S130-S133 WeakPolarHBondContact CA-O 3.42Å; S133-E135 PolarHBondContact O-N 3.33Å; S133-E135 PolarHBondContact OG-OE2 3.17Å
134G89Confident87.3Confident93 Ų9378.7 Ų78.796%0.95946%0.456SS*.  trans-75.636.1172.900000113.5
135E88.7Confident87.8Confident63 Ų6376.3 Ų76.329%0.29444%0.437SS..  trans-96.5120.9-178.9-62.1175.2168.300108.7S133 R140 R143S133-E135 PolarHBondContact O-N 3.33Å; S133-E135 PolarHBondContact OG-OE2 3.17Å; E135-R140 VanDerWaalsContact O-CZ 3.28Å; E135-R140 PolarHBondContact O-NE 3.31Å; E135-R140 VanDerWaalsContact O-NE 3.1Å; E135-R140 PolarHBondContact O-NH2 2.65Å; E135-R143 IonicContact OE1-CZ 2.75Å; E135-R143 IonicContact OE1-NH1 2.82Å; E135-R143 PolarHBondContact OE1-NH1 3.07Å; E135-R143 IonicContact OE1-NH2 3.26Å; E135-R143 PolarHBondContact OE1-NH2 2.95Å; E135-R143 IonicContact OE2-CZ 3.9Å; E135-R143 IonicContact OE2-NH1 3.9Å; E135-R143 PolarHBondContact OE2-NH1 3.44Å; E135-R143 IonicContact OE2-NH2 3.49Å
136D86.9Confident88.4Confident94 Ų9469.7 Ų69.750%0.50341%0.406SS..  trans-78.9-174.3-178.761.520.5000112.8Q138 D139 R140D136-Q138 PolarHBondContact OD1-N 2.8Å; D136-D139 WeakPolarHBondContact OD1-CB 3.39Å; D136-D139 PolarHBondContact OD1-N 3.4Å; D136-R140 VanDerWaalsContact O-CD 3.25Å; D136-R140 WeakPolarHBondContact O-CD 3.2Å; D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-NE 2.83Å; D136-R140 VanDerWaalsContact O-NE 3.16Å
137T85.5Confident89Confident50 Ų5069.1 Ų69.131%0.30740%0.402SS..Hα-helixtrans-59.3-45.2173.736.10000111.7E116 R140 T141E116-T137 PolarHBondContact OE1-OG1 2.95Å; T137-R140 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-OG1 3.03Å
138Q87.6Confident89.6Confident45 Ų4567.9 Ų67.921%0.2140%0.395CS..Hα-helixtrans-64.4-44.3-178.5-179.669.356.100113V112 D136 R140 T141 D142V112-Q138 HydrophobicContact CG2-CB 4.24Å; D136-Q138 PolarHBondContact OD1-N 2.8Å; Q138-R140 PolarHBondContact O-N 2.83Å; Q138-T141 PolarHBondContact O-N 3.3Å; Q138-T141 PolarHBondContact O-OG1 3.32Å; Q138-D142 PolarHBondContact NE2-OD1 2.84Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CB 3.24Å; Q138-D142 WeakPolarHBondContact O-CB 3.45Å; Q138-D142 PolarHBondContact O-N 3.2Å
139D89.1Confident90.1Very high68 Ų6863.8 Ų63.836%0.36437%0.371SS..Hα-helixtrans-66.1-23.7179.6-144.444.6000111.3D136 R143D136-D139 WeakPolarHBondContact OD1-CB 3.39Å; D136-D139 PolarHBondContact OD1-N 3.4Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.27Å; D139-R143 PolarHBondContact O-N 3.35Å; D139-R143 PolarHBondContact O-NE 2.7Å; D139-R143 IonicContact OD2-CZ 3.09Å; D139-R143 IonicContact OD2-NE 3.2Å; D139-R143 IonicContact OD2-NH2 2.82Å; D139-R143 PolarHBondContact OD2-NH2 2.83Å
140R88.2Confident90.6Very high77 Ų7759.9 Ų59.929%0.29135%0.351SS..Hα-helixtrans-83.1-44.9175.9-62.7166.3-159-167.33.8112.3L129 E135 D136 T137 Q138 R143 L144L129-R140 VanDerWaalsContact CD1-NH1 3.29Å; E135-R140 VanDerWaalsContact O-CZ 3.28Å; E135-R140 PolarHBondContact O-NE 3.31Å; E135-R140 VanDerWaalsContact O-NE 3.1Å; E135-R140 PolarHBondContact O-NH2 2.65Å; D136-R140 VanDerWaalsContact O-CD 3.25Å; D136-R140 WeakPolarHBondContact O-CD 3.2Å; D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-NE 2.83Å; D136-R140 VanDerWaalsContact O-NE 3.16Å; T137-R140 PolarHBondContact O-N 3.11Å; Q138-R140 PolarHBondContact O-N 2.83Å; R140-R143 PolarHBondContact O-N 3.27Å; R140-L144 PolarHBondContact O-N 3.36Å
141T89.1Confident91.1Very high11 Ų1162.4 Ų62.47%0.06735%0.353CS..Hα-helixtrans-64.7-40.5173.153.20000111.1S108 M111 V112 I115 T137 Q138 R143 L144 L145S108-T141 VanDerWaalsContact OG-C 3.3Å; S108-T141 PolarHBondContact OG-OG1 3.24Å; M111-T141 HydrophobicContact CG-CG2 4.15Å; M111-T141 HydrophobicContact SD-CG2 4.14Å; V112-T141 HydrophobicContact CG2-CG2 3.82Å; V112-T141 WeakPolarHBondContact CG2-OG1 3.44Å; I115-T141 HydrophobicContact CD1-CG2 4.49Å; T137-T141 PolarHBondContact O-N 3.11Å; T137-T141 PolarHBondContact O-OG1 3.03Å; Q138-T141 PolarHBondContact O-N 3.3Å; Q138-T141 PolarHBondContact O-OG1 3.32Å; T141-R143 PolarHBondContact O-N 3.21Å; T141-L144 PolarHBondContact O-N 2.62Å; T141-L145 PolarHBondContact O-N 2.86Å
142D92.3Very high91.6Very high30 Ų3058.8 Ų58.816%0.1632%0.321CS..Iπ-helixtrans-66.6-22.2175.2-80-20.9000113.2S108 Q138 L146 T147S108-D142 WeakPolarHBondContact CB-OD1 3.38Å; S108-D142 PolarHBondContact OG-N 2.89Å; S108-D142 PolarHBondContact OG-OD1 2.97Å; Q138-D142 PolarHBondContact NE2-OD1 2.84Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CB 3.24Å; Q138-D142 WeakPolarHBondContact O-CB 3.45Å; Q138-D142 PolarHBondContact O-N 3.2Å; D142-L146 HydrophobicContact CB-CB 4.22Å; D142-L146 HydrophobicContact CB-CD2 4.37Å; D142-L146 PolarHBondContact O-N 3.25Å; D142-L146 WeakPolarHBondContact OD1-CD2 3.37Å; D142-T147 WeakPolarHBondContact O-CA 3.43Å; D142-T147 WeakPolarHBondContact O-CB 3.44Å; D142-T147 PolarHBondContact O-N 3.31Å; D142-T147 PolarHBondContact O-OG1 3.32Å
143R92.1Very high91.8Very high118 Ų11852.8 Ų52.845%0.44528%0.284SS..Iπ-helixtrans-75.7-35.3169.3-78164.8-163-154.15.6112.7E135 D139 R140 T141E135-R143 IonicContact OE1-CZ 2.75Å; E135-R143 IonicContact OE1-NH1 2.82Å; E135-R143 PolarHBondContact OE1-NH1 3.07Å; E135-R143 IonicContact OE1-NH2 3.26Å; E135-R143 PolarHBondContact OE1-NH2 2.95Å; E135-R143 IonicContact OE2-CZ 3.9Å; E135-R143 IonicContact OE2-NH1 3.9Å; E135-R143 PolarHBondContact OE2-NH1 3.44Å; E135-R143 IonicContact OE2-NH2 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.27Å; D139-R143 PolarHBondContact O-N 3.35Å; D139-R143 PolarHBondContact O-NE 2.7Å; D139-R143 IonicContact OD2-CZ 3.09Å; D139-R143 IonicContact OD2-NE 3.2Å; D139-R143 IonicContact OD2-NH2 2.82Å; D139-R143 PolarHBondContact OD2-NH2 2.83Å; R140-R143 PolarHBondContact O-N 3.27Å; T141-R143 PolarHBondContact O-N 3.21Å
144L92Very high92.2Very high117 Ų11752.1 Ų52.161%0.61328%0.277SS*.Iπ-helixtrans-76-51.6-179.4-178.262.2000112.4R140 T141R140-L144 PolarHBondContact O-N 3.36Å; T141-L144 PolarHBondContact O-N 2.62Å
145L92Very high92.5Very high52 Ų5249.5 Ų49.527%0.27224%0.24SC..Iπ-helixtrans-98.6-58.1-170.3-61179.9000112.5M111 T141 P148M111-L145 HydrophobicContact SD-CD1 3.79Å; T141-L145 PolarHBondContact O-N 2.86Å; L145-P148 WeakPolarHBondContact O-CD 3.3Å
146L94.7Very high92.9Very high9 Ų946.5 Ų46.55%0.04723%0.226CC..Iπ-helixtrans-75.5-43-170.5179.557.4000113.5T101 A104 K105 D142 W149 V150 Y188T101-L146 WeakPolarHBondContact O-CD1 3.42Å; A104-L146 HydrophobicContact CB-CD1 4.42Å; K105-L146 HydrophobicContact CB-CD1 3.9Å; K105-L146 HydrophobicContact CB-CD2 4.04Å; K105-L146 HydrophobicContact CG-CD2 4Å; D142-L146 HydrophobicContact CB-CB 4.22Å; D142-L146 HydrophobicContact CB-CD2 4.37Å; D142-L146 PolarHBondContact O-N 3.25Å; D142-L146 WeakPolarHBondContact OD1-CD2 3.37Å; L146-W149 WeakPolarHBondContact O-CA 3.47Å; L146-W149 WeakPolarHBondContact O-CB 3.23Å; L146-W149 PolarHBondContact O-N 3.44Å; L146-V150 HydrophobicContact CD1-CG2 3.7Å; L146-V150 HydrophobicContact CG-CG2 3.74Å; L146-V150 PolarHBondContact O-N 3.07Å; L146-Y188 HydrophobicContact CD1-CE1 4.04Å; L146-Y188 HydrophobicContact CD2-CD1 4.21Å; L146-Y188 HydrophobicContact CD2-CE1 4.08Å; L146-Y188 HydrophobicContact CG-CE1 4.49Å
147T93.8Very high93.4Very high24 Ų2442.3 Ų42.315%0.14720%0.203CC..Hα-helixtrans-59.5-40-173.1-73.70000114D142 W149 V150 K151D142-T147 WeakPolarHBondContact O-CA 3.43Å; D142-T147 WeakPolarHBondContact O-CB 3.44Å; D142-T147 PolarHBondContact O-N 3.31Å; D142-T147 PolarHBondContact O-OG1 3.32Å; T147-W149 VanDerWaalsContact C-N 3.29Å; T147-W149 PolarHBondContact O-N 2.95Å; T147-V150 PolarHBondContact O-N 3.37Å; T147-K151 HydrophobicContact CG2-CD 4.04Å; T147-K151 HydrophobicContact CG2-CG 4.37Å; T147-K151 WeakPolarHBondContact O-CB 3.47Å; T147-K151 VanDerWaalsContact O-CG 3.28Å; T147-K151 WeakPolarHBondContact O-CG 3.13Å; T147-K151 PolarHBondContact O-N 2.81Å
148P95.6Very high94Very high45 Ų4544.1 Ų44.129%0.29220%0.204SC..Hα-helixtrans-56.4-40170.2-2835.9000113.7L145 F152L145-P148 WeakPolarHBondContact O-CD 3.3Å; P148-F152 PolarHBondContact O-N 2.75Å; P148-F152 VanDerWaalsContact O-N 3.14Å
149W96.2Very high94.4Very high36 Ų3642.4 Ų42.414%0.13620%0.196CC..Hα-helixtrans-73.4-43177.6-74.4113000112.2V59 R62 K100 T101 A104 L146 T147 K151 F152 L153V59-W149 HydrophobicContact CG1-CZ3 4.22Å; V59-W149 WeakPolarHBondContact O-CZ3 3.3Å; R62-W149 HydrophobicContact CG-CE3 4Å; R62-W149 HydrophobicContact CG-CH2 3.69Å; R62-W149 HydrophobicContact CG-CZ2 4.23Å; R62-W149 HydrophobicContact CG-CZ3 3.56Å; K100-W149 HydrophobicContact CB-CE3 4.12Å; K100-W149 HydrophobicContact CB-CH2 4.37Å; K100-W149 HydrophobicContact CB-CZ3 3.94Å; K100-W149 HydrophobicContact CG-CZ3 4.5Å; T101-W149 HydrophobicContact CG2-CB 3.92Å; A104-W149 HydrophobicContact CB-CB 4.28Å; A104-W149 HydrophobicContact CB-CG 3.91Å; L146-W149 WeakPolarHBondContact O-CA 3.47Å; L146-W149 WeakPolarHBondContact O-CB 3.23Å; L146-W149 PolarHBondContact O-N 3.44Å; T147-W149 VanDerWaalsContact C-N 3.29Å; T147-W149 PolarHBondContact O-N 2.95Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 2.97Å; W149-F152 HydrophobicContact CE3-CD1 4.39Å; W149-F152 WeakPolarHBondContact O-CB 3.35Å; W149-F152 PolarHBondContact O-N 3.19Å; W149-F152 VanDerWaalsContact O-N 3.09Å; W149-L153 PolarHBondContact O-N 2.78Å
150V96.1Very high94.8Very high6 Ų639.2 Ų39.24%0.03618%0.179CC..Hα-helixtrans-60.3-39.5173.8170.80000111.7L146 T147 W154 F184 Y188 R190L146-V150 HydrophobicContact CD1-CG2 3.7Å; L146-V150 HydrophobicContact CG-CG2 3.74Å; L146-V150 PolarHBondContact O-N 3.07Å; T147-V150 PolarHBondContact O-N 3.37Å; V150-W154 WeakPolarHBondContact O-CB 3.34Å; V150-W154 PolarHBondContact O-N 3.4Å; V150-F184 HydrophobicContact CG1-CE2 3.93Å; V150-F184 HydrophobicContact CG1-CZ 3.76Å; V150-F184 WeakPolarHBondContact O-CZ 3.39Å; V150-Y188 HydrophobicContact CG2-CD1 3.79Å; V150-Y188 HydrophobicContact CG2-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CG 4.11Å; V150-R190 HydrophobicContact CG1-CG 4Å
151K95.7Very high95.2Very high124 Ų12435.7 Ų35.754%0.53917%0.166SC..Hα-helixtrans-63.5-40.2172.6-76.3171.4178.9173.60112.1T147 W149 E155T147-K151 HydrophobicContact CG2-CD 4.04Å; T147-K151 HydrophobicContact CG2-CG 4.37Å; T147-K151 WeakPolarHBondContact O-CB 3.47Å; T147-K151 VanDerWaalsContact O-CG 3.28Å; T147-K151 WeakPolarHBondContact O-CG 3.13Å; T147-K151 PolarHBondContact O-N 2.81Å; W149-K151 VanDerWaalsContact C-N 3.32Å; W149-K151 PolarHBondContact O-N 2.97Å; K151-E155 PolarHBondContact O-N 2.98Å
152F96.8Very high95.5Very high12 Ų1236.6 Ų36.65%0.05317%0.171CC..Hα-helixtrans-66.1-47176.3173.9-93.9000111.9V59 R62 Y93 A97 P148 W149 E155 S156V59-F152 HydrophobicContact CB-CE1 4.31Å; V59-F152 HydrophobicContact CB-CZ 4.33Å; V59-F152 HydrophobicContact CG1-CE1 4.12Å; V59-F152 HydrophobicContact CG2-CE1 4.05Å; V59-F152 HydrophobicContact CG2-CZ 4.05Å; R62-F152 HydrophobicContact CB-CD2 3.98Å; R62-F152 HydrophobicContact CB-CE2 4.42Å; R62-F152 HydrophobicContact CB-CG 4.44Å; Y93-F152 HydrophobicContact CE2-CZ 4.31Å; A97-F152 HydrophobicContact CB-CE1 4.03Å; P148-F152 PolarHBondContact O-N 2.75Å; P148-F152 VanDerWaalsContact O-N 3.14Å; W149-F152 HydrophobicContact CE3-CD1 4.39Å; W149-F152 WeakPolarHBondContact O-CB 3.35Å; W149-F152 PolarHBondContact O-N 3.19Å; W149-F152 VanDerWaalsContact O-N 3.09Å; F152-E155 PolarHBondContact O-N 3.46Å; F152-S156 PolarHBondContact O-N 2.96Å
153L96.9Very high95.6Very high2 Ų236 Ų361%0.0117%0.167CC..Hα-helixtrans-64.2-40.2178.4175.860.1000112.6A97 E98 T101 W149 E155 S156 Y157 F184A97-L153 HydrophobicContact CB-CD1 3.78Å; E98-L153 HydrophobicContact CG-CD1 4.05Å; E98-L153 HydrophobicContact CG-CD2 4.33Å; T101-L153 HydrophobicContact CG2-CB 3.62Å; T101-L153 HydrophobicContact CG2-CD2 3.63Å; T101-L153 HydrophobicContact CG2-CG 4.21Å; T101-L153 WeakPolarHBondContact OG1-CD2 3.48Å; W149-L153 PolarHBondContact O-N 2.78Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.46Å; L153-S156 WeakPolarHBondContact CA-OG 3.28Å; L153-S156 PolarHBondContact O-N 2.98Å; L153-S156 PolarHBondContact O-OG 3.11Å; L153-Y157 HydrophobicContact CD1-CD2 4.01Å; L153-Y157 HydrophobicContact CD1-CE1 4.43Å; L153-Y157 HydrophobicContact CD1-CE2 3.55Å; L153-Y157 HydrophobicContact CD2-CE2 4.03Å; L153-Y157 HydrophobicContact CG-CD2 4.01Å; L153-Y157 HydrophobicContact CG-CE2 3.56Å; L153-Y157 WeakPolarHBondContact O-CD2 3.49Å; L153-Y157 PolarHBondContact O-N 2.98Å; L153-F184 HydrophobicContact CB-CE2 4.2Å; L153-F184 HydrophobicContact CD2-CD2 3.47Å; L153-F184 VanDerWaalsContact CD2-CD2 3.47Å; L153-F184 HydrophobicContact CD2-CE2 3.62Å; L153-F184 HydrophobicContact CD2-CG 4.48Å; L153-F184 HydrophobicContact CG-CD2 3.95Å; L153-F184 HydrophobicContact CG-CE2 3.86Å
154W97.5Very high95.7Very high19 Ų1930.4 Ų30.47%0.07215%0.146CC..Hα-helixtrans-56.8-48.8171.3163.4-111.1000111.7V150 S156 Y157 R158 F184 E193 K196 L197V150-W154 WeakPolarHBondContact O-CB 3.34Å; V150-W154 PolarHBondContact O-N 3.4Å; W154-S156 VanDerWaalsContact C-N 3.34Å; W154-S156 PolarHBondContact O-N 2.67Å; W154-Y157 PolarHBondContact O-N 3.43Å; W154-R158 HydrophobicContact CZ2-CB 4.33Å; W154-R158 WeakPolarHBondContact O-CB 3.39Å; W154-R158 PolarHBondContact O-N 2.96Å; W154-F184 HydrophobicContact CB-CE1 3.82Å; W154-F184 HydrophobicContact CB-CZ 3.83Å; W154-F184 HydrophobicContact CE3-CE1 4.14Å; W154-E193 HydrophobicContact CB-CG 4.27Å; W154-E193 HydrophobicContact CD2-CB 3.74Å; W154-E193 HydrophobicContact CD2-CG 3.71Å; W154-E193 HydrophobicContact CE3-CB 3.86Å; W154-E193 HydrophobicContact CE3-CG 4.31Å; W154-E193 HydrophobicContact CG-CB 4.19Å; W154-E193 HydrophobicContact CG-CG 3.62Å; W154-E193 WeakPolarHBondContact CH2-O 3.28Å; W154-E193 HydrophobicContact CZ2-CB 4.45Å; W154-E193 HydrophobicContact CZ3-CB 4.26Å; W154-K196 HydrophobicContact CH2-CB 4.27Å; W154-K196 HydrophobicContact CZ2-CB 3.82Å; W154-L197 HydrophobicContact CH2-CB 3.74Å; W154-L197 HydrophobicContact CH2-CD1 4.38Å; W154-L197 HydrophobicContact CZ3-CB 3.9Å; W154-L197 HydrophobicContact CZ3-CD1 4.32Å; W154-L197 HydrophobicContact CZ3-CD2 4.42Å; W154-L197 HydrophobicContact CZ3-CG 4.44Å
155E96.5Very high95.8Very high37 Ų3728.3 Ų28.317%0.17313%0.13CC..Hα-helixtrans-68.5-32.4-179.2-176.860.5-16000111.6K151 F152 L153 R158 Q159K151-E155 PolarHBondContact O-N 2.98Å; F152-E155 PolarHBondContact O-N 3.46Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.46Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-NH1 3.94Å; E155-R158 PolarHBondContact OE1-NH1 3.46Å; E155-R158 WeakPolarHBondContact OE2-CD 3.11Å; E155-R158 IonicContact OE2-CZ 3.1Å; E155-R158 IonicContact OE2-NE 2.7Å; E155-R158 IonicContact OE2-NH1 3.58Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; E155-Q159 HydrophobicContact CG-CG 4.32Å; E155-Q159 VanDerWaalsContact CG-NE2 3.33Å; E155-Q159 VanDerWaalsContact O-CB 3.31Å; E155-Q159 WeakPolarHBondContact O-CB 3.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.2Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.45Å; E155-Q159 PolarHBondContact OE1-NE2 3.1Å
156S96.6Very high95.7Very high0 Ų027 Ų270%012%0.123CC..Hα-helixtrans-66-45.8172.863.90000112.4Y93 F152 L153 W154 R158 Q159 C160Y93-S156 WeakPolarHBondContact OH-CB 3.48Å; F152-S156 PolarHBondContact O-N 2.96Å; L153-S156 WeakPolarHBondContact CA-OG 3.28Å; L153-S156 PolarHBondContact O-N 2.98Å; L153-S156 PolarHBondContact O-OG 3.11Å; W154-S156 VanDerWaalsContact C-N 3.34Å; W154-S156 PolarHBondContact O-N 2.67Å; S156-R158 PolarHBondContact O-N 2.97Å; S156-Q159 PolarHBondContact O-N 3.42Å; S156-C160 WeakPolarHBondContact O-CB 3.32Å; S156-C160 PolarHBondContact O-N 3.1Å; S156-C160 PolarHBondContact O-SG 2.85Å
157Y97.8Very high95.6Very high7 Ų726.8 Ų26.83%0.02712%0.122CC..Hα-helixtrans-57.7-48.2173.3-74-54.1000111.5L94 E98 L153 W154 Q159 C160 L161 I177 Q180 A181 F184L94-Y157 HydrophobicContact CD1-CD1 4.02Å; L94-Y157 HydrophobicContact CD1-CE1 4.25Å; L94-Y157 HydrophobicContact CD2-CD1 3.74Å; L94-Y157 HydrophobicContact CD2-CE1 4.14Å; L94-Y157 HydrophobicContact CD2-CG 4.41Å; L94-Y157 HydrophobicContact CG-CD1 4.44Å; E98-Y157 WeakPolarHBondContact CG-OH 3.41Å; E98-Y157 PolarHBondContact OE1-OH 2.85Å; L153-Y157 HydrophobicContact CD1-CD2 4.01Å; L153-Y157 HydrophobicContact CD1-CE1 4.43Å; L153-Y157 HydrophobicContact CD1-CE2 3.55Å; L153-Y157 HydrophobicContact CD2-CE2 4.03Å; L153-Y157 HydrophobicContact CG-CD2 4.01Å; L153-Y157 HydrophobicContact CG-CE2 3.56Å; L153-Y157 WeakPolarHBondContact O-CD2 3.49Å; L153-Y157 PolarHBondContact O-N 2.98Å; W154-Y157 PolarHBondContact O-N 3.43Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.41Å; Y157-C160 PolarHBondContact O-N 3.13Å; Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 3.11Å; Y157-I177 HydrophobicContact CD1-CG2 4.1Å; Y157-Q180 HydrophobicContact CE1-CB 3.94Å; Y157-A181 HydrophobicContact CD1-CB 4.3Å; Y157-A181 HydrophobicContact CD2-CB 4.23Å; Y157-A181 HydrophobicContact CG-CB 3.97Å; Y157-F184 HydrophobicContact CD2-CB 4.33Å; Y157-F184 HydrophobicContact CD2-CD1 4.01Å; Y157-F184 HydrophobicContact CD2-CG 4.06Å; Y157-F184 HydrophobicContact CE2-CB 3.48Å; Y157-F184 VanDerWaalsContact CE2-CB 3.48Å; Y157-F184 AromaticContact CE2-CD1 3.92Å; Y157-F184 HydrophobicContact CE2-CD1 3.92Å; Y157-F184 AromaticContact CE2-CD2 3.9Å; Y157-F184 HydrophobicContact CE2-CD2 3.9Å; Y157-F184 AromaticContact CE2-CG 3.49Å; Y157-F184 HydrophobicContact CE2-CG 3.49Å; Y157-F184 VanDerWaalsContact CE2-CG 3.49Å
158R97.6Very high95.5Very high87 Ų8728.2 Ų28.233%0.32813%0.133SC..Hα-helixtrans-56.8-47.4178175.9-178.3167.3-135.12.1111.6W154 E155 S156 L161 D162W154-R158 HydrophobicContact CZ2-CB 4.33Å; W154-R158 WeakPolarHBondContact O-CB 3.39Å; W154-R158 PolarHBondContact O-N 2.96Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-NH1 3.94Å; E155-R158 PolarHBondContact OE1-NH1 3.46Å; E155-R158 WeakPolarHBondContact OE2-CD 3.11Å; E155-R158 IonicContact OE2-CZ 3.1Å; E155-R158 IonicContact OE2-NE 2.7Å; E155-R158 IonicContact OE2-NH1 3.58Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; S156-R158 PolarHBondContact O-N 2.97Å; R158-L161 PolarHBondContact O-N 2.88Å; R158-D162 PolarHBondContact O-N 2.83Å
159Q96.3Very high95.2Very high10 Ų1031.7 Ų31.75%0.04714%0.144CC..Hα-helixtrans-65.8-37.9-180-72.5171.5-1.400112.5S64 K68 E155 S156 Y157 D162 L163S64-Q159 PolarHBondContact O-OE1 2.74Å; K68-Q159 HydrophobicContact CB-CG 4.3Å; K68-Q159 HydrophobicContact CD-CG 3.99Å; K68-Q159 HydrophobicContact CG-CB 4.42Å; K68-Q159 HydrophobicContact CG-CG 4.16Å; E155-Q159 HydrophobicContact CG-CG 4.32Å; E155-Q159 VanDerWaalsContact CG-NE2 3.33Å; E155-Q159 VanDerWaalsContact O-CB 3.31Å; E155-Q159 WeakPolarHBondContact O-CB 3.44Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.2Å; E155-Q159 WeakPolarHBondContact OE1-CG 3.45Å; E155-Q159 PolarHBondContact OE1-NE2 3.1Å; S156-Q159 PolarHBondContact O-N 3.42Å; Y157-Q159 VanDerWaalsContact C-N 3.35Å; Y157-Q159 PolarHBondContact O-N 3.41Å; Q159-D162 PolarHBondContact O-N 3.06Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.01Å
160C96.7Very high95.1Very high0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-65.4-39.3173.5-70.30000112.2V90 L94 S156 Y157 L163 L164 I177V90-C160 HydrophobicContact CG1-CB 4.23Å; L94-C160 HydrophobicContact CD1-CB 4.31Å; S156-C160 WeakPolarHBondContact O-CB 3.32Å; S156-C160 PolarHBondContact O-N 3.1Å; S156-C160 PolarHBondContact O-SG 2.85Å; Y157-C160 PolarHBondContact O-N 3.13Å; C160-L163 PolarHBondContact O-N 3.15Å; C160-L164 WeakPolarHBondContact O-CB 3.26Å; C160-L164 VanDerWaalsContact O-CG 3.26Å; C160-L164 WeakPolarHBondContact O-CG 3.27Å; C160-L164 PolarHBondContact O-N 2.93Å; C160-I177 HydrophobicContact CB-CD1 4.27Å; C160-I177 HydrophobicContact CB-CG2 4.43Å
161L96.9Very high95Very high3 Ų330 Ų302%0.01614%0.137CC..Hα-helixtrans-66.9-42.5173.6-67.5170.8000112.2Y157 R158 L163 L164 R165 Y174 I177 A178 L197Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 3.11Å; R158-L161 PolarHBondContact O-N 2.88Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 3.46Å; L161-R165 PolarHBondContact O-N 3.05Å; L161-Y174 HydrophobicContact CB-CE2 4.12Å; L161-Y174 HydrophobicContact CD2-CD2 3.73Å; L161-Y174 HydrophobicContact CD2-CE2 3.69Å; L161-Y174 HydrophobicContact CD2-CG 4.28Å; L161-Y174 WeakPolarHBondContact CD2-O 3.17Å; L161-Y174 WeakPolarHBondContact O-CE2 3.22Å; L161-I177 HydrophobicContact CD2-CB 4.26Å; L161-I177 HydrophobicContact CD2-CG2 3.91Å; L161-I177 HydrophobicContact CG-CG2 4Å; L161-A178 HydrophobicContact CD2-CB 4.11Å; L161-L197 HydrophobicContact CD1-CD1 3.59Å
162D95.6Very high95Very high31 Ų3130.3 Ų30.317%0.16614%0.135CC..Hα-helixtrans-58.3-36.1172.3-102.4-42000112.3R158 Q159 R165 H204R158-D162 PolarHBondContact O-N 2.83Å; Q159-D162 PolarHBondContact O-N 3.06Å; D162-R165 WeakPolarHBondContact O-CD 3.32Å; D162-R165 WeakPolarHBondContact O-CG 3.29Å; D162-R165 PolarHBondContact O-NE 3.45Å; D162-R165 IonicContact OD1-CZ 3.92Å; D162-R165 IonicContact OD1-NH1 2.88Å; D162-R165 PolarHBondContact OD1-NH1 2.68Å; D162-R165 IonicContact OD1-NH2 2.77Å; D162-R165 PolarHBondContact OD1-NH2 2.94Å; D162-H204 IonicContact OD1-NE2 3.59Å
163L94.6Very high95Very high16 Ų1629.7 Ų29.78%0.08413%0.132CC..Hα-helixtrans-74.9-42.1-179.5-179.673.1000112.9L71 Y72 K75 V90 Q159 C160 L161L71-L163 HydrophobicContact CB-CD2 3.82Å; Y72-L163 HydrophobicContact CD2-CD1 4.26Å; K75-L163 HydrophobicContact CB-CD1 4.19Å; K75-L163 HydrophobicContact CD-CD1 3.65Å; K75-L163 HydrophobicContact CD-CG 4.14Å; K75-L163 PolarHBondContact NZ-O 3.24Å; V90-L163 HydrophobicContact CG2-CD2 4.38Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.01Å; C160-L163 PolarHBondContact O-N 3.15Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.4Å
164L94.2Very high95Very high2 Ų230.2 Ų30.21%0.0113%0.134CC..Hα-helixtrans-91.8-13.8-169.7-64171.4000114.2L86 V90 C160 L161 V170 L173 Y174 I177L86-L164 HydrophobicContact CD2-CD2 4.38Å; V90-L164 HydrophobicContact CG1-CD1 4.36Å; C160-L164 WeakPolarHBondContact O-CB 3.26Å; C160-L164 VanDerWaalsContact O-CG 3.26Å; C160-L164 WeakPolarHBondContact O-CG 3.27Å; C160-L164 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 3.46Å; L164-V170 HydrophobicContact CB-CG2 4.2Å; L164-V170 HydrophobicContact CD2-CB 4.13Å; L164-V170 HydrophobicContact CD2-CG2 3.73Å; L164-L173 HydrophobicContact CD1-CD2 3.76Å; L164-L173 HydrophobicContact CD1-CG 3.85Å; L164-L173 HydrophobicContact CD2-CD2 4.37Å; L164-Y174 HydrophobicContact CB-CD2 4.1Å; L164-I177 HydrophobicContact CD1-CD1 3.63Å
165R94.3Very high95Very high73 Ų7329.3 Ų29.328%0.27513%0.131SC..THydrogen-bonded Turntrans-52.3152.2-179.870.7-170.7174.2-161.6-11.3114.3L161 D162 N167 Y174 H204L161-R165 PolarHBondContact O-N 3.05Å; D162-R165 WeakPolarHBondContact O-CD 3.32Å; D162-R165 WeakPolarHBondContact O-CG 3.29Å; D162-R165 PolarHBondContact O-NE 3.45Å; D162-R165 IonicContact OD1-CZ 3.92Å; D162-R165 IonicContact OD1-NH1 2.88Å; D162-R165 PolarHBondContact OD1-NH1 2.68Å; D162-R165 IonicContact OD1-NH2 2.77Å; D162-R165 PolarHBondContact OD1-NH2 2.94Å; R165-N167 PolarHBondContact O-N 3.23Å; R165-N167 VanDerWaalsContact O-N 3.15Å; R165-Y174 HydrophobicContact CB-CE2 4.11Å; R165-H204 VanDerWaalsContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-NE2 3.28Å; R165-H204 PolarHBondContact NH1-NE2 3.23Å
166N90.1Very high95Very high24 Ų2428.9 Ų28.913%0.12813%0.129CC..THydrogen-bonded Turntrans58.520.3172.5-46.6-26000115.2Q207 I208N166-Q207 PolarHBondContact ND2-OE1 3.06Å; N166-I208 WeakPolarHBondContact OD1-CG1 3.17Å
167N91.8Very high95.1Very high5 Ų528.9 Ų28.93%0.02713%0.13CC..  trans-121106.8179-179.99.6000111.2R165 K169 V170 E171 T216R165-N167 PolarHBondContact O-N 3.23Å; R165-N167 VanDerWaalsContact O-N 3.15Å; N167-K169 PolarHBondContact O-N 2.97Å; N167-K169 VanDerWaalsContact O-N 3.14Å; N167-K169 PolarHBondContact OD1-N 3.42Å; N167-V170 HydrophobicContact CB-CG2 3.9Å; N167-V170 WeakPolarHBondContact ND2-CG2 3.48Å; N167-V170 PolarHBondContact O-N 2.87Å; N167-E171 PolarHBondContact O-N 3.31Å; N167-T216 WeakPolarHBondContact CA-O 3.43Å
168S91.1Very high95.1Very high54 Ų5428.6 Ų28.638%0.37813%0.128SC..G310 helixtrans-59.5-24.4-178.254.30000114.5V170 T216S168-V170 PolarHBondContact O-N 3.49Å; S168-T216 PolarHBondContact N-O 3.47Å; S168-T216 PolarHBondContact OG-O 2.88Å
169K90.4Very high95.1Very high118 Ų11826.6 Ų26.651%0.51312%0.123SC..G310 helixtrans-71.8-24.2179.2-68.2-170.7179.6-175.30114.6I83 N167I83-K169 HydrophobicContact CD1-CB 3.86Å; I83-K169 HydrophobicContact CD1-CD 4.04Å; N167-K169 PolarHBondContact O-N 2.97Å; N167-K169 VanDerWaalsContact O-N 3.14Å; N167-K169 PolarHBondContact OD1-N 3.42Å
170V93.5Very high95.1Very high1 Ų128.7 Ų28.71%0.00613%0.133CC..G310 helixtrans-123.616.9-177.5-60.80000111.6I83 E87 L164 N167 S168 R172 L173 Y174I83-V170 HydrophobicContact CD1-CG1 3.64Å; I83-V170 HydrophobicContact CG1-CG1 3.7Å; E87-V170 HydrophobicContact CG-CG1 4.1Å; L164-V170 HydrophobicContact CB-CG2 4.2Å; L164-V170 HydrophobicContact CD2-CB 4.13Å; L164-V170 HydrophobicContact CD2-CG2 3.73Å; N167-V170 HydrophobicContact CB-CG2 3.9Å; N167-V170 WeakPolarHBondContact ND2-CG2 3.48Å; N167-V170 PolarHBondContact O-N 2.87Å; S168-V170 PolarHBondContact O-N 3.49Å; V170-R172 PolarHBondContact O-N 2.98Å; V170-L173 PolarHBondContact O-N 2.8Å; V170-Y174 PolarHBondContact O-N 3.43Å
171E94.4Very high95.1Very high5 Ų528.7 Ų28.72%0.02313%0.133CC..Hα-helixtrans-58-38.7-177.6-174.3-175.6168.400111.1N167 Y174 H175 I218 S225 M228 H229N167-E171 PolarHBondContact O-N 3.31Å; E171-Y174 WeakPolarHBondContact O-CB 3.2Å; E171-Y174 PolarHBondContact O-N 3.43Å; E171-H175 VanDerWaalsContact CG-NE2 3.29Å; E171-H175 WeakPolarHBondContact CG-NE2 3.3Å; E171-H175 PolarHBondContact O-CD2 2.78Å; E171-H175 PolarHBondContact O-N 3.3Å; E171-H175 IonicContact OE1-CD2 3.63Å; E171-H175 IonicContact OE1-NE2 2.59Å; E171-H175 PolarHBondContact OE1-NE2 2.77Å; E171-I218 HydrophobicContact CB-CD1 4.4Å; E171-I218 HydrophobicContact CG-CD1 3.93Å; E171-I218 HydrophobicContact CG-CG1 4.36Å; E171-S225 VanDerWaalsContact OE1-CA 3.29Å; E171-S225 WeakPolarHBondContact OE1-CA 3.19Å; E171-S225 WeakPolarHBondContact OE1-CB 3.46Å; E171-S225 PolarHBondContact OE1-OG 3.1Å; E171-S225 VanDerWaalsContact OE2-CB 3.29Å; E171-S225 WeakPolarHBondContact OE2-CB 3.39Å; E171-S225 PolarHBondContact OE2-OG 2.85Å; E171-M228 HydrophobicContact CB-CE 4.34Å; E171-M228 HydrophobicContact CG-CE 3.85Å; E171-H229 IonicContact OE1-CD2 3.37Å; E171-H229 PolarHBondContact OE1-CD2 2.83Å; E171-H229 IonicContact OE1-NE2 2.76Å
172R95.8Very high95.2Very high130 Ų13028.6 Ų28.649%0.49113%0.132SC..Hα-helixtrans-59.7-50176.2-178.651.8163.1149.5-15.4112V170 Y174 H175 D176 M228V170-R172 PolarHBondContact O-N 2.98Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.31Å; R172-H175 PolarHBondContact O-N 3.3Å; R172-D176 WeakPolarHBondContact CD-OD1 3.22Å; R172-D176 IonicContact CZ-OD1 3.92Å; R172-D176 VanDerWaalsContact CZ-OD1 3.26Å; R172-D176 IonicContact NE-OD1 2.72Å; R172-D176 PolarHBondContact NE-OD1 2.66Å; R172-D176 IonicContact NH1-OD1 3.47Å; R172-D176 PolarHBondContact NH1-OD1 3.36Å; R172-D176 VanDerWaalsContact O-CG 3.23Å; R172-D176 PolarHBondContact O-N 3.26Å; R172-M228 HydrophobicContact CB-SD 4.24Å
173L95.9Very high95.2Very high0 Ų033.6 Ų33.60%015%0.152CC..Hα-helixtrans-62.8-40.2177.9178.265.2000112.1E87 V90 R91 L164 V170 H175 D176 I177E87-L173 HydrophobicContact CB-CD2 3.78Å; E87-L173 HydrophobicContact CG-CD2 3.84Å; V90-L173 HydrophobicContact CB-CD2 4.28Å; V90-L173 HydrophobicContact CG1-CD2 4.24Å; R91-L173 HydrophobicContact CG-CD1 3.73Å; L164-L173 HydrophobicContact CD1-CD2 3.76Å; L164-L173 HydrophobicContact CD1-CG 3.85Å; L164-L173 HydrophobicContact CD2-CD2 4.37Å; V170-L173 PolarHBondContact O-N 2.8Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.81Å; L173-D176 PolarHBondContact O-N 3Å; L173-I177 HydrophobicContact CD1-CD1 3.74Å; L173-I177 HydrophobicContact CD1-CG1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.32Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CB 3.24Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.41Å; L173-I177 PolarHBondContact O-N 3.46Å
174Y97.6Very high95.3Very high12 Ų1233 Ų335%0.04715%0.149CC..Hα-helixtrans-57.6-44.6174.7171.4-86.8000111.7L161 L164 R165 V170 E171 R172 A178 L201 H204L161-Y174 HydrophobicContact CB-CE2 4.12Å; L161-Y174 HydrophobicContact CD2-CD2 3.73Å; L161-Y174 HydrophobicContact CD2-CE2 3.69Å; L161-Y174 HydrophobicContact CD2-CG 4.28Å; L161-Y174 WeakPolarHBondContact CD2-O 3.17Å; L161-Y174 WeakPolarHBondContact O-CE2 3.22Å; L164-Y174 HydrophobicContact CB-CD2 4.1Å; R165-Y174 HydrophobicContact CB-CE2 4.11Å; V170-Y174 PolarHBondContact O-N 3.43Å; E171-Y174 WeakPolarHBondContact O-CB 3.2Å; E171-Y174 PolarHBondContact O-N 3.43Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.31Å; Y174-A178 WeakPolarHBondContact O-CB 3.44Å; Y174-A178 PolarHBondContact O-N 2.89Å; Y174-L201 HydrophobicContact CE1-CD2 4.37Å; Y174-L201 VanDerWaalsContact OH-CD2 3.22Å; Y174-L201 WeakPolarHBondContact OH-CD2 3.48Å; Y174-H204 AromaticContact CE2-ND1 3.67Å; Y174-H204 AromaticContact CZ-ND1 3.73Å; Y174-H204 WeakPolarHBondContact OH-CB 2.92Å; Y174-H204 PolarHBondContact OH-ND1 3.43Å
175H97.3Very high95.4Very high1 Ų132.9 Ų32.91%0.00515%0.149CC..Hα-helixtrans-71.6-36.4178-68.1-54.7000112.8E171 R172 L173 A178 Q179 M228 H229 T232E171-H175 VanDerWaalsContact CG-NE2 3.29Å; E171-H175 WeakPolarHBondContact CG-NE2 3.3Å; E171-H175 PolarHBondContact O-CD2 2.78Å; E171-H175 PolarHBondContact O-N 3.3Å; E171-H175 IonicContact OE1-CD2 3.63Å; E171-H175 IonicContact OE1-NE2 2.59Å; E171-H175 PolarHBondContact OE1-NE2 2.77Å; R172-H175 PolarHBondContact O-N 3.3Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.81Å; H175-A178 PolarHBondContact O-N 2.66Å; H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 2.79Å; H175-Q179 VanDerWaalsContact O-N 3.12Å; H175-M228 HydrophobicContact CB-CB 4.3Å; H175-M228 WeakPolarHBondContact CD2-CB 3.46Å; H175-H229 AromaticContact CE1-CD2 3.6Å; H175-H229 AromaticContact CE1-CE1 3.7Å; H175-H229 AromaticContact CE1-CG 3.61Å; H175-H229 AromaticContact CE1-ND1 3.67Å; H175-H229 AromaticContact CE1-NE2 3.68Å; H175-H229 AromaticContact NE2-CD2 3.64Å; H175-H229 AromaticContact NE2-NE2 3.87Å; H175-T232 HydrophobicContact CB-CG2 3.61Å; H175-T232 WeakPolarHBondContact ND1-CG2 3.23Å; H175-T232 WeakPolarHBondContact O-CG2 3.49Å
176D97.4Very high95.4Very high27 Ų2732.7 Ų32.714%0.14415%0.153CC..Hα-helixtrans-57.6-51172-67.3-5.3000110.6R91 R172 L173 A178 Q179 Q180R91-D176 IonicContact CZ-OD2 3.7Å; R91-D176 IonicContact NH1-OD2 2.71Å; R91-D176 PolarHBondContact NH1-OD2 3.2Å; R91-D176 IonicContact NH2-OD2 2.62Å; R91-D176 PolarHBondContact NH2-OD2 3.02Å; R172-D176 WeakPolarHBondContact CD-OD1 3.22Å; R172-D176 IonicContact CZ-OD1 3.92Å; R172-D176 VanDerWaalsContact CZ-OD1 3.26Å; R172-D176 IonicContact NE-OD1 2.72Å; R172-D176 PolarHBondContact NE-OD1 2.66Å; R172-D176 IonicContact NH1-OD1 3.47Å; R172-D176 PolarHBondContact NH1-OD1 3.36Å; R172-D176 VanDerWaalsContact O-CG 3.23Å; R172-D176 PolarHBondContact O-N 3.26Å; L173-D176 PolarHBondContact O-N 3Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 2.94Å; D176-Q179 WeakPolarHBondContact O-CB 3.13Å; D176-Q179 PolarHBondContact O-N 3.18Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; D176-Q180 PolarHBondContact O-N 3.5Å
177I97.7Very high95.6Very high1 Ų136.1 Ų36.11%0.00517%0.168CC..Hα-helixtrans-64.4-36.5-179.6-68.5170000111.2V90 L94 Y157 C160 L161 L164 L173 Q179 Q180 A181V90-I177 HydrophobicContact CG1-CD1 3.7Å; L94-I177 HydrophobicContact CD1-CB 4.41Å; L94-I177 HydrophobicContact CD1-CD1 3.64Å; L94-I177 HydrophobicContact CD1-CG1 3.65Å; L94-I177 HydrophobicContact CD1-CG2 3.89Å; Y157-I177 HydrophobicContact CD1-CG2 4.1Å; C160-I177 HydrophobicContact CB-CD1 4.27Å; C160-I177 HydrophobicContact CB-CG2 4.43Å; L161-I177 HydrophobicContact CD2-CB 4.26Å; L161-I177 HydrophobicContact CD2-CG2 3.91Å; L161-I177 HydrophobicContact CG-CG2 4Å; L164-I177 HydrophobicContact CD1-CD1 3.63Å; L173-I177 HydrophobicContact CD1-CD1 3.74Å; L173-I177 HydrophobicContact CD1-CG1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.32Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CB 3.24Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.41Å; L173-I177 PolarHBondContact O-N 3.46Å; I177-Q179 VanDerWaalsContact C-N 3.31Å; I177-Q179 PolarHBondContact O-N 2.73Å; I177-Q180 PolarHBondContact O-N 2.68Å; I177-A181 WeakPolarHBondContact O-CB 3.1Å; I177-A181 PolarHBondContact O-N 2.91Å
178A98Very high95.7Very high0 Ų036.9 Ų36.90%017%0.17CC..Hα-helixtrans-62.8-38.1174.100000111.9L161 Y174 H175 D176 F182 L201 T232L161-A178 HydrophobicContact CD2-CB 4.11Å; Y174-A178 WeakPolarHBondContact O-CB 3.44Å; Y174-A178 PolarHBondContact O-N 2.89Å; H175-A178 PolarHBondContact O-N 2.66Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 2.94Å; A178-F182 WeakPolarHBondContact O-CD2 3.42Å; A178-F182 PolarHBondContact O-N 2.98Å; A178-F182 VanDerWaalsContact O-N 3.16Å; A178-L201 HydrophobicContact CB-CD2 4.28Å; A178-T232 HydrophobicContact CB-CG2 4.13Å
179Q97.3Very high95.8Very high45 Ų4539.3 Ų39.321%0.2118%0.183CC..Hα-helixtrans-70.8-37.9174.7-64.6175.929.500112.2H175 D176 I177 F182 K183 T232 V235H175-Q179 WeakPolarHBondContact O-CG 3.43Å; H175-Q179 PolarHBondContact O-N 2.79Å; H175-Q179 VanDerWaalsContact O-N 3.12Å; D176-Q179 WeakPolarHBondContact O-CB 3.13Å; D176-Q179 PolarHBondContact O-N 3.18Å; D176-Q179 VanDerWaalsContact O-N 3.1Å; I177-Q179 VanDerWaalsContact C-N 3.31Å; I177-Q179 PolarHBondContact O-N 2.73Å; Q179-F182 PolarHBondContact O-N 3.04Å; Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 2.78Å; Q179-K183 VanDerWaalsContact O-N 3.1Å; Q179-T232 HydrophobicContact CG-CG2 4.05Å; Q179-V235 HydrophobicContact CB-CG1 4.45Å; Q179-V235 HydrophobicContact CG-CB 4.29Å; Q179-V235 HydrophobicContact CG-CG1 4.36Å; Q179-V235 HydrophobicContact CG-CG2 4.1Å
180Q96.3Very high96Very high55 Ų5536.7 Ų36.726%0.25717%0.17SC..Hα-helixtrans-61.6-47.7171.8-71.6174.4-91.600111.4E98 Y157 D176 I177 F182 K183 F184E98-Q180 PolarHBondContact OE1-NE2 3.18Å; Y157-Q180 HydrophobicContact CE1-CB 3.94Å; D176-Q180 PolarHBondContact O-N 3.5Å; I177-Q180 PolarHBondContact O-N 2.68Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 2.73Å; Q180-K183 WeakPolarHBondContact O-CA 3.34Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 2.99Å; Q180-F184 PolarHBondContact O-N 2.61Å
181A97.8Very high96.1Very high0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-60.7-33.6178.900000112.8Y157 I177 C185 L197Y157-A181 HydrophobicContact CD1-CB 4.3Å; Y157-A181 HydrophobicContact CD2-CB 4.23Å; Y157-A181 HydrophobicContact CG-CB 3.97Å; I177-A181 WeakPolarHBondContact O-CB 3.1Å; I177-A181 PolarHBondContact O-N 2.91Å; A181-C185 PolarHBondContact O-N 2.95Å; A181-C185 PolarHBondContact O-SG 3.26Å; A181-L197 HydrophobicContact CB-CD1 4.29Å; A181-L197 HydrophobicContact CB-CD2 3.66Å
182F97.6Very high96.1Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-69.6-40.2171.3-74.7-50.3000113.3A178 Q179 Q180 C185 L186 F194 L197 L201 V235 Q236A178-F182 WeakPolarHBondContact O-CD2 3.42Å; A178-F182 PolarHBondContact O-N 2.98Å; A178-F182 VanDerWaalsContact O-N 3.16Å; Q179-F182 PolarHBondContact O-N 3.04Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 2.73Å; F182-C185 PolarHBondContact O-N 2.96Å; F182-L186 PolarHBondContact O-N 3.43Å; F182-L186 VanDerWaalsContact O-N 3.12Å; F182-F194 AromaticContact CD1-CD2 3.71Å; F182-F194 HydrophobicContact CD1-CD2 3.71Å; F182-F194 AromaticContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CZ 4.3Å; F182-F194 AromaticContact CE1-CD2 3.99Å; F182-F194 HydrophobicContact CE1-CD2 3.99Å; F182-F194 AromaticContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CZ 4.13Å; F182-F194 HydrophobicContact CG-CE2 4.44Å; F182-L197 HydrophobicContact CD1-CD2 3.4Å; F182-L197 VanDerWaalsContact CD1-CD2 3.4Å; F182-L197 HydrophobicContact CD1-CG 4.21Å; F182-L197 HydrophobicContact CE1-CB 4.41Å; F182-L197 HydrophobicContact CE1-CD2 3.49Å; F182-L197 VanDerWaalsContact CE1-CD2 3.49Å; F182-L197 HydrophobicContact CE1-CG 3.76Å; F182-L197 HydrophobicContact CG-CD2 3.97Å; F182-L197 HydrophobicContact CZ-CD2 4.11Å; F182-L197 HydrophobicContact CZ-CG 4.11Å; F182-L201 HydrophobicContact CE2-CD1 3.71Å; F182-L201 HydrophobicContact CZ-CD1 3.44Å; F182-L201 VanDerWaalsContact CZ-CD1 3.44Å; F182-V235 HydrophobicContact CB-CG1 4.07Å; F182-V235 HydrophobicContact CD2-CG1 4.19Å; F182-Q236 HydrophobicContact CD2-CB 4.35Å; F182-Q236 HydrophobicContact CE1-CB 4.04Å; F182-Q236 HydrophobicContact CE1-CG 3.83Å; F182-Q236 HydrophobicContact CE2-CB 3.6Å; F182-Q236 HydrophobicContact CE2-CG 4.2Å; F182-Q236 HydrophobicContact CZ-CB 3.4Å; F182-Q236 VanDerWaalsContact CZ-CB 3.4Å; F182-Q236 HydrophobicContact CZ-CG 3.47Å; F182-Q236 VanDerWaalsContact CZ-CG 3.47Å
183K96.3Very high96.1Very high137 Ų13737.6 Ų37.660%0.59619%0.185SC*.Hα-helixtrans-62.6-44.7173.3-71.5176.3177.9-175.80111.7Q179 Q180 C185 L186 Q187Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 2.78Å; Q179-K183 VanDerWaalsContact O-N 3.1Å; Q180-K183 WeakPolarHBondContact O-CA 3.34Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 2.99Å; K183-C185 VanDerWaalsContact C-N 3.34Å; K183-C185 PolarHBondContact O-N 3.2Å; K183-L186 WeakPolarHBondContact O-CB 3.32Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.1Å; K183-Q187 WeakPolarHBondContact O-CB 3.25Å; K183-Q187 PolarHBondContact O-N 3.5Å
184F96.5Very high96.2Very high3 Ų337.6 Ų37.61%0.01319%0.185CC..Hα-helixtrans-54.8-47171.8158-96.6000112.1V150 L153 W154 Y157 Q180 L186 Q187 Y188 R190V150-F184 HydrophobicContact CG1-CE2 3.93Å; V150-F184 HydrophobicContact CG1-CZ 3.76Å; V150-F184 WeakPolarHBondContact O-CZ 3.39Å; L153-F184 HydrophobicContact CB-CE2 4.2Å; L153-F184 HydrophobicContact CD2-CD2 3.47Å; L153-F184 VanDerWaalsContact CD2-CD2 3.47Å; L153-F184 HydrophobicContact CD2-CE2 3.62Å; L153-F184 HydrophobicContact CD2-CG 4.48Å; L153-F184 HydrophobicContact CG-CD2 3.95Å; L153-F184 HydrophobicContact CG-CE2 3.86Å; W154-F184 HydrophobicContact CB-CE1 3.82Å; W154-F184 HydrophobicContact CB-CZ 3.83Å; W154-F184 HydrophobicContact CE3-CE1 4.14Å; Y157-F184 HydrophobicContact CD2-CB 4.33Å; Y157-F184 HydrophobicContact CD2-CD1 4.01Å; Y157-F184 HydrophobicContact CD2-CG 4.06Å; Y157-F184 HydrophobicContact CE2-CB 3.48Å; Y157-F184 VanDerWaalsContact CE2-CB 3.48Å; Y157-F184 AromaticContact CE2-CD1 3.92Å; Y157-F184 HydrophobicContact CE2-CD1 3.92Å; Y157-F184 AromaticContact CE2-CD2 3.9Å; Y157-F184 HydrophobicContact CE2-CD2 3.9Å; Y157-F184 AromaticContact CE2-CG 3.49Å; Y157-F184 HydrophobicContact CE2-CG 3.49Å; Y157-F184 VanDerWaalsContact CE2-CG 3.49Å; Q180-F184 PolarHBondContact O-N 2.61Å; F184-L186 PolarHBondContact O-N 2.74Å; F184-Q187 PolarHBondContact O-N 3.38Å; F184-Y188 AromaticContact CD2-CD2 3.48Å; F184-Y188 HydrophobicContact CD2-CD2 3.48Å; F184-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F184-Y188 AromaticContact CD2-CE2 3.84Å; F184-Y188 HydrophobicContact CD2-CE2 3.84Å; F184-Y188 AromaticContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CE2 4.17Å; F184-Y188 HydrophobicContact CE2-CG 4.44Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 PolarHBondContact O-N 2.83Å; F184-R190 HydrophobicContact CZ-CG 4.44Å
185C96.1Very high96.2Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-60.9-34.2177.8-690000112.4A181 F182 K183 T189 R190 F194 M243A181-C185 PolarHBondContact O-N 2.95Å; A181-C185 PolarHBondContact O-SG 3.26Å; F182-C185 PolarHBondContact O-N 2.96Å; K183-C185 VanDerWaalsContact C-N 3.34Å; K183-C185 PolarHBondContact O-N 3.2Å; C185-T189 CarbonylContact O-C 3.6Å; C185-T189 WeakPolarHBondContact O-CA 3.28Å; C185-T189 PolarHBondContact O-N 2.71Å; C185-R190 PolarHBondContact O-N 2.72Å; C185-F194 HydrophobicContact CB-CB 4.16Å; C185-F194 HydrophobicContact CB-CD2 4.02Å; C185-M243 HydrophobicContact CB-CE 4.23Å
186L95.3Very high96.2Very high69 Ų6948.5 Ų48.536%0.36123%0.229SC..Hα-helixtrans-74.3-48.5175.8-177.565.2000111.9F182 K183 F184 Y188 T189 M243F182-L186 PolarHBondContact O-N 3.43Å; F182-L186 VanDerWaalsContact O-N 3.12Å; K183-L186 WeakPolarHBondContact O-CB 3.32Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.1Å; F184-L186 PolarHBondContact O-N 2.74Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 2.82Å; L186-T189 PolarHBondContact O-N 3.23Å; L186-M243 HydrophobicContact CD1-CG 3.64Å
187Q94.3Very high96.2Very high95 Ų9547.2 Ų47.244%0.44422%0.222SC..Hα-helixtrans-60.3-33.8-177.7178.9173.3-11.400113.4E102 K183 F184E102-Q187 PolarHBondContact OE1-NE2 3.06Å; K183-Q187 WeakPolarHBondContact O-CB 3.25Å; K183-Q187 PolarHBondContact O-N 3.5Å; F184-Q187 PolarHBondContact O-N 3.38Å
188Y92.7Very high96.2Very high21 Ų2147.2 Ų47.28%0.08222%0.222CC..THydrogen-bonded Turntrans-112.418.7177.9-61.9-79.4000112.9T101 K105 L146 V150 F184 L186 R190T101-Y188 PolarHBondContact OG1-OH 3.1Å; K105-Y188 HydrophobicContact CD-CE1 4.24Å; L146-Y188 HydrophobicContact CD1-CE1 4.04Å; L146-Y188 HydrophobicContact CD2-CD1 4.21Å; L146-Y188 HydrophobicContact CD2-CE1 4.08Å; L146-Y188 HydrophobicContact CG-CE1 4.49Å; V150-Y188 HydrophobicContact CG2-CD1 3.79Å; V150-Y188 HydrophobicContact CG2-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CG 4.11Å; F184-Y188 AromaticContact CD2-CD2 3.48Å; F184-Y188 HydrophobicContact CD2-CD2 3.48Å; F184-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F184-Y188 AromaticContact CD2-CE2 3.84Å; F184-Y188 HydrophobicContact CD2-CE2 3.84Å; F184-Y188 AromaticContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CD2 3.71Å; F184-Y188 HydrophobicContact CE2-CE2 4.17Å; F184-Y188 HydrophobicContact CE2-CG 4.44Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 PolarHBondContact O-N 2.83Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 2.82Å; Y188-R190 WeakPolarHBondContact O-CD 3.43Å; Y188-R190 VanDerWaalsContact O-CG 3.23Å; Y188-R190 WeakPolarHBondContact O-CG 3.38Å; Y188-R190 PolarHBondContact O-N 3.17Å
189T92.8Very high96.1Very high106 Ų10651 Ų5165%0.6524%0.242SC*.THydrogen-bonded Turntrans49.327.3176.167.50000116C185 L186 K191C185-T189 CarbonylContact O-C 3.6Å; C185-T189 WeakPolarHBondContact O-CA 3.28Å; C185-T189 PolarHBondContact O-N 2.71Å; L186-T189 PolarHBondContact O-N 3.23Å; T189-K191 VanDerWaalsContact C-N 3.31Å; T189-K191 PolarHBondContact O-N 3.03Å
190R94.9Very high96.1Very high62 Ų6250.2 Ų50.223%0.23424%0.24CC..  trans-75.368.1-170.2-63.3-48-60.3-164-4.2114V150 F184 C185 Y188 A192 E193 F194V150-R190 HydrophobicContact CG1-CG 4Å; F184-R190 HydrophobicContact CZ-CG 4.44Å; C185-R190 PolarHBondContact O-N 2.72Å; Y188-R190 WeakPolarHBondContact O-CD 3.43Å; Y188-R190 VanDerWaalsContact O-CG 3.23Å; Y188-R190 WeakPolarHBondContact O-CG 3.38Å; Y188-R190 PolarHBondContact O-N 3.17Å; R190-A192 PolarHBondContact O-N 3.35Å; R190-A192 VanDerWaalsContact O-N 3.15Å; R190-E193 HydrophobicContact CB-CB 4.05Å; R190-E193 HydrophobicContact CB-CG 4.37Å; R190-E193 WeakPolarHBondContact CB-OE2 3.31Å; R190-E193 IonicContact CZ-OE1 2.78Å; R190-E193 IonicContact CZ-OE2 3.54Å; R190-E193 IonicContact NE-OE1 3.5Å; R190-E193 IonicContact NE-OE2 2.72Å; R190-E193 PolarHBondContact NE-OE2 2.93Å; R190-E193 IonicContact NH2-OE1 3.79Å; R190-E193 PolarHBondContact NH2-OE1 2.68Å; R190-E193 IonicContact NH2-OE2 2.66Å; R190-E193 PolarHBondContact NH2-OE2 2.97Å; R190-E193 PolarHBondContact O-N 3.42Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.8Å
191K95.7Very high96.1Very high100 Ų10048.1 Ų48.144%0.43523%0.23SC..Hα-helixtrans-58.5-24.2-178.8-68.3179.1179.1-176.70114.6T189 M243 L245T189-K191 VanDerWaalsContact C-N 3.31Å; T189-K191 PolarHBondContact O-N 3.03Å; K191-M243 WeakPolarHBondContact CE-O 3.41Å; K191-M243 HydrophobicContact CG-SD 4.41Å; K191-L245 HydrophobicContact CB-CD1 4.4Å; K191-L245 HydrophobicContact CB-CD2 4.34Å; K191-L245 HydrophobicContact CD-CD2 4.1Å; K191-L245 HydrophobicContact CG-CD1 4.26Å; K191-L245 HydrophobicContact CG-CD2 4.12Å; K191-L245 HydrophobicContact CG-CG 4.48Å
192A95.3Very high96.1Very high39 Ų3950.5 Ų50.532%0.32224%0.239SC..Hα-helixtrans-83.8-45178.600000112.3R190 F194 R195 K196R190-A192 PolarHBondContact O-N 3.35Å; R190-A192 VanDerWaalsContact O-N 3.15Å; A192-F194 VanDerWaalsContact C-N 3.32Å; A192-R195 PolarHBondContact O-N 2.89Å; A192-K196 PolarHBondContact O-N 3.11Å
193E96.1Very high96Very high17 Ų1754.5 Ų54.58%0.07926%0.259CS..Hα-helixtrans-63.4-37.7174.5-67.870.3-16200111.1W154 R190 R195 K196 L197W154-E193 HydrophobicContact CB-CG 4.27Å; W154-E193 HydrophobicContact CD2-CB 3.74Å; W154-E193 HydrophobicContact CD2-CG 3.71Å; W154-E193 HydrophobicContact CE3-CB 3.86Å; W154-E193 HydrophobicContact CE3-CG 4.31Å; W154-E193 HydrophobicContact CG-CB 4.19Å; W154-E193 HydrophobicContact CG-CG 3.62Å; W154-E193 WeakPolarHBondContact CH2-O 3.28Å; W154-E193 HydrophobicContact CZ2-CB 4.45Å; W154-E193 HydrophobicContact CZ3-CB 4.26Å; R190-E193 HydrophobicContact CB-CB 4.05Å; R190-E193 HydrophobicContact CB-CG 4.37Å; R190-E193 WeakPolarHBondContact CB-OE2 3.31Å; R190-E193 IonicContact CZ-OE1 2.78Å; R190-E193 IonicContact CZ-OE2 3.54Å; R190-E193 IonicContact NE-OE1 3.5Å; R190-E193 IonicContact NE-OE2 2.72Å; R190-E193 PolarHBondContact NE-OE2 2.93Å; R190-E193 IonicContact NH2-OE1 3.79Å; R190-E193 PolarHBondContact NH2-OE1 2.68Å; R190-E193 IonicContact NH2-OE2 2.66Å; R190-E193 PolarHBondContact NH2-OE2 2.97Å; R190-E193 PolarHBondContact O-N 3.42Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.48Å; E193-K196 CarbonylContact O-C 3.57Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.11Å; E193-K196 VanDerWaalsContact O-N 3.15Å; E193-L197 PolarHBondContact O-N 2.93Å
194F97.6Very high96Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-55.7-43.6174.2-175.6-95.4000113.3F182 C185 R190 A192 L197 C198 Q236 A240 M243 L245 E248F182-F194 AromaticContact CD1-CD2 3.71Å; F182-F194 HydrophobicContact CD1-CD2 3.71Å; F182-F194 AromaticContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CE2 3.33Å; F182-F194 HydrophobicContact CD1-CZ 4.3Å; F182-F194 AromaticContact CE1-CD2 3.99Å; F182-F194 HydrophobicContact CE1-CD2 3.99Å; F182-F194 AromaticContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CE2 3.54Å; F182-F194 HydrophobicContact CE1-CZ 4.13Å; F182-F194 HydrophobicContact CG-CE2 4.44Å; C185-F194 HydrophobicContact CB-CB 4.16Å; C185-F194 HydrophobicContact CB-CD2 4.02Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.8Å; A192-F194 VanDerWaalsContact C-N 3.32Å; F194-L197 WeakPolarHBondContact O-CB 3.48Å; F194-L197 PolarHBondContact O-N 2.65Å; F194-C198 PolarHBondContact O-N 3.19Å; F194-C198 PolarHBondContact O-SG 3.21Å; F194-Q236 HydrophobicContact CZ-CG 4.28Å; F194-A240 HydrophobicContact CE1-CB 3.93Å; F194-A240 HydrophobicContact CZ-CB 3.76Å; F194-M243 HydrophobicContact CB-CE 4.09Å; F194-M243 HydrophobicContact CD1-CE 4.3Å; F194-M243 HydrophobicContact CD2-CE 3.31Å; F194-M243 HydrophobicContact CE2-CE 3.71Å; F194-M243 HydrophobicContact CG-CE 3.64Å; F194-M243 HydrophobicContact CZ-CE 4.36Å; F194-L245 HydrophobicContact CB-CD1 4.39Å; F194-L245 HydrophobicContact CD1-CD1 3.45Å; F194-L245 VanDerWaalsContact CD1-CD1 3.45Å; F194-L245 HydrophobicContact CE1-CD1 3.96Å; F194-L245 HydrophobicContact CG-CD1 4.08Å; F194-E248 HydrophobicContact CE1-CB 3.92Å; F194-E248 HydrophobicContact CE1-CG 4.38Å
195R97.3Very high95.9Very high125 Ų12548.7 Ų48.747%0.47223%0.234SC..Hα-helixtrans-63.3-47176-61.8-179.8-144130.31.9111A192 E193 L197 C198 D199 E248A192-R195 PolarHBondContact O-N 2.89Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.48Å; R195-L197 PolarHBondContact O-N 3.38Å; R195-C198 WeakPolarHBondContact O-CB 3.12Å; R195-C198 PolarHBondContact O-N 3.13Å; R195-C198 VanDerWaalsContact O-N 3.15Å; R195-D199 PolarHBondContact O-N 2.92Å; R195-E248 HydrophobicContact CG-CG 4.12Å
196K97.3Very high95.8Very high117 Ų11749.6 Ų49.651%0.50924%0.244SC..Hα-helixtrans-58.2-37176-64.6174.1-178.71750111.5W154 A192 E193 N200W154-K196 HydrophobicContact CH2-CB 4.27Å; W154-K196 HydrophobicContact CZ2-CB 3.82Å; A192-K196 PolarHBondContact O-N 3.11Å; E193-K196 CarbonylContact O-C 3.57Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.11Å; E193-K196 VanDerWaalsContact O-N 3.15Å; K196-N200 WeakPolarHBondContact O-CB 3.05Å; K196-N200 PolarHBondContact O-N 3.07Å; K196-N200 PolarHBondContact O-ND2 3.16Å; K196-N200 VanDerWaalsContact O-ND2 3.1Å
197L97.8Very high95.7Very high0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-65.1-49.5174.7-175.654.4000111.5W154 L161 A181 F182 E193 F194 R195 D199 N200 L201W154-L197 HydrophobicContact CH2-CB 3.74Å; W154-L197 HydrophobicContact CH2-CD1 4.38Å; W154-L197 HydrophobicContact CZ3-CB 3.9Å; W154-L197 HydrophobicContact CZ3-CD1 4.32Å; W154-L197 HydrophobicContact CZ3-CD2 4.42Å; W154-L197 HydrophobicContact CZ3-CG 4.44Å; L161-L197 HydrophobicContact CD1-CD1 3.59Å; A181-L197 HydrophobicContact CB-CD1 4.29Å; A181-L197 HydrophobicContact CB-CD2 3.66Å; F182-L197 HydrophobicContact CD1-CD2 3.4Å; F182-L197 VanDerWaalsContact CD1-CD2 3.4Å; F182-L197 HydrophobicContact CD1-CG 4.21Å; F182-L197 HydrophobicContact CE1-CB 4.41Å; F182-L197 HydrophobicContact CE1-CD2 3.49Å; F182-L197 VanDerWaalsContact CE1-CD2 3.49Å; F182-L197 HydrophobicContact CE1-CG 3.76Å; F182-L197 HydrophobicContact CG-CD2 3.97Å; F182-L197 HydrophobicContact CZ-CD2 4.11Å; F182-L197 HydrophobicContact CZ-CG 4.11Å; E193-L197 PolarHBondContact O-N 2.93Å; F194-L197 WeakPolarHBondContact O-CB 3.48Å; F194-L197 PolarHBondContact O-N 2.65Å; R195-L197 PolarHBondContact O-N 3.38Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 3.37Å; L197-N200 PolarHBondContact O-N 3.35Å; L197-L201 HydrophobicContact CD1-CD1 4.28Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.25Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.31Å
198C97.4Very high95.6Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-54.8-46.2175.5-66.30000111.8F194 R195 L201 R202 Q236F194-C198 PolarHBondContact O-N 3.19Å; F194-C198 PolarHBondContact O-SG 3.21Å; R195-C198 WeakPolarHBondContact O-CB 3.12Å; R195-C198 PolarHBondContact O-N 3.13Å; R195-C198 VanDerWaalsContact O-N 3.15Å; C198-L201 PolarHBondContact O-N 3.06Å; C198-R202 VanDerWaalsContact O-CG 3.31Å; C198-R202 WeakPolarHBondContact O-CG 2.97Å; C198-R202 PolarHBondContact O-N 2.91Å; C198-Q236 PolarHBondContact SG-NE2 3.43Å; C198-Q236 VanDerWaalsContact SG-NE2 3.41Å
199D96.4Very high95.5Very high79 Ų7948 Ų4842%0.42224%0.236SC..Hα-helixtrans-70.7-38.2-179.2-65.4-31000113R195 L197 L201 R202 M203R195-D199 PolarHBondContact O-N 2.92Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 3.37Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.14Å; D199-R202 WeakPolarHBondContact O-CB 2.91Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.35Å; D199-R202 IonicContact OD1-NH1 3.96Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; D199-M203 WeakPolarHBondContact O-CB 3.47Å; D199-M203 PolarHBondContact O-N 3.13Å
200N96.9Very high95.4Very high30 Ų3052.7 Ų52.716%0.1624%0.241CC..Hα-helixtrans-59.4-43.8170.3-74.1-29.6000111.4K196 L197 R202 M203 H204K196-N200 WeakPolarHBondContact O-CB 3.05Å; K196-N200 PolarHBondContact O-N 3.07Å; K196-N200 PolarHBondContact O-ND2 3.16Å; K196-N200 VanDerWaalsContact O-ND2 3.1Å; L197-N200 PolarHBondContact O-N 3.35Å; N200-R202 VanDerWaalsContact C-N 3.34Å; N200-R202 PolarHBondContact O-N 3.24Å; N200-M203 PolarHBondContact O-N 3.49Å; N200-H204 PolarHBondContact O-CD2 3.31Å; N200-H204 VanDerWaalsContact O-CG 3.23Å; N200-H204 PolarHBondContact O-N 3.08Å
201L96.8Very high95Very high10 Ų1053.3 Ų53.35%0.05225%0.247CC..Hα-helixtrans-68.6-30.7177.2-65.7174.6000112.4Y174 A178 F182 L197 C198 D199 L205 R233Y174-L201 HydrophobicContact CE1-CD2 4.37Å; Y174-L201 VanDerWaalsContact OH-CD2 3.22Å; Y174-L201 WeakPolarHBondContact OH-CD2 3.48Å; A178-L201 HydrophobicContact CB-CD2 4.28Å; F182-L201 HydrophobicContact CE2-CD1 3.71Å; F182-L201 HydrophobicContact CZ-CD1 3.44Å; F182-L201 VanDerWaalsContact CZ-CD1 3.44Å; L197-L201 HydrophobicContact CD1-CD1 4.28Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.25Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.31Å; C198-L201 PolarHBondContact O-N 3.06Å; D199-L201 VanDerWaalsContact C-N 3.33Å; D199-L201 PolarHBondContact O-N 3.14Å; L201-L205 PolarHBondContact O-N 2.89Å; L201-L205 VanDerWaalsContact O-N 3.11Å; L201-R233 VanDerWaalsContact C-NH2 3.35Å; L201-R233 VanDerWaalsContact CB-NH1 3.34Å; L201-R233 PolarHBondContact O-NH2 3.06Å
202R96.6Very high94.4Very high51 Ų5153.6 Ų53.619%0.19225%0.249CC..Hα-helixtrans-66.8-47.6170.6-72.7165.7-170.6135.68.4110.9C198 D199 N200 H204 L205 G206 E248 D255C198-R202 VanDerWaalsContact O-CG 3.31Å; C198-R202 WeakPolarHBondContact O-CG 2.97Å; C198-R202 PolarHBondContact O-N 2.91Å; D199-R202 WeakPolarHBondContact O-CB 2.91Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.35Å; D199-R202 IonicContact OD1-NH1 3.96Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; N200-R202 VanDerWaalsContact C-N 3.34Å; N200-R202 PolarHBondContact O-N 3.24Å; R202-H204 VanDerWaalsContact C-N 3.34Å; R202-H204 PolarHBondContact O-N 2.59Å; R202-L205 PolarHBondContact O-N 2.78Å; R202-G206 PolarHBondContact O-N 3.13Å; R202-E248 IonicContact CZ-OE2 3.61Å; R202-E248 IonicContact NH1-OE2 3.79Å; R202-E248 PolarHBondContact NH1-OE2 2.88Å; R202-E248 IonicContact NH2-OE2 3.98Å; R202-E248 PolarHBondContact NH2-OE2 3.32Å; R202-D255 WeakPolarHBondContact CG-OD1 3.11Å; R202-D255 IonicContact CZ-OD2 3.17Å; R202-D255 IonicContact NE-OD1 3.63Å; R202-D255 PolarHBondContact NE-OD1 2.93Å; R202-D255 IonicContact NE-OD2 2.85Å; R202-D255 PolarHBondContact NE-OD2 2.73Å; R202-D255 IonicContact NH2-OD2 2.68Å; R202-D255 PolarHBondContact NH2-OD2 2.87Å
203M96.4Very high93.9Very high84 Ų8458.5 Ų58.541%0.41427%0.27SS..Hα-helixtrans-56.6-45.9174.6177.9-178.163.100111.6D199 N200 G206 Q207D199-M203 WeakPolarHBondContact O-CB 3.47Å; D199-M203 PolarHBondContact O-N 3.13Å; N200-M203 PolarHBondContact O-N 3.49Å; M203-G206 PolarHBondContact O-N 2.85Å; M203-Q207 WeakPolarHBondContact O-CG 3.39Å; M203-Q207 PolarHBondContact O-N 2.75Å
204H95.8Very high93.4Very high3 Ų362.1 Ų62.11%0.01429%0.287CS..Hα-helixtrans-64.5-41.5178.4-67.5174.6000112.3D162 R165 Y174 N200 R202 G206 Q207 I208D162-H204 IonicContact OD1-NE2 3.59Å; R165-H204 VanDerWaalsContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-CD2 3.49Å; R165-H204 WeakPolarHBondContact CD-NE2 3.28Å; R165-H204 PolarHBondContact NH1-NE2 3.23Å; Y174-H204 AromaticContact CE2-ND1 3.67Å; Y174-H204 AromaticContact CZ-ND1 3.73Å; Y174-H204 WeakPolarHBondContact OH-CB 2.92Å; Y174-H204 PolarHBondContact OH-ND1 3.43Å; N200-H204 PolarHBondContact O-CD2 3.31Å; N200-H204 VanDerWaalsContact O-CG 3.23Å; N200-H204 PolarHBondContact O-N 3.08Å; R202-H204 VanDerWaalsContact C-N 3.34Å; R202-H204 PolarHBondContact O-N 2.59Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.48Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 2.99Å; H204-Q207 VanDerWaalsContact O-N 3.1Å; H204-I208 WeakPolarHBondContact O-CG1 3.32Å; H204-I208 PolarHBondContact O-N 3.47Å
205L94.6Very high92.8Very high15 Ų1568.4 Ų68.48%0.07933%0.331CS..Hα-helixtrans-61.6-40.4173.9-177.458.6000112L201 R202 Q207 I208 Q209 L220 L259L201-L205 PolarHBondContact O-N 2.89Å; L201-L205 VanDerWaalsContact O-N 3.11Å; R202-L205 PolarHBondContact O-N 2.78Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.44Å; L205-I208 PolarHBondContact O-N 3.21Å; L205-Q209 PolarHBondContact O-N 3.29Å; L205-L220 HydrophobicContact CD1-CD1 4.04Å; L205-L259 HydrophobicContact CD1-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CG 4.06Å; L205-L259 HydrophobicContact CG-CD2 4.43Å
206G94.3Very high92.3Very high19 Ų1963.9 Ų63.920%0.19632%0.317CS..Hα-helixtrans-65.2-29172.800000114R202 M203 H204 R210R202-G206 PolarHBondContact O-N 3.13Å; M203-G206 PolarHBondContact O-N 2.85Å; H204-G206 VanDerWaalsContact C-N 3.32Å; H204-G206 PolarHBondContact O-N 3.48Å; G206-R210 VanDerWaalsContact O-CG 3.3Å; G206-R210 WeakPolarHBondContact O-CG 3.09Å; G206-R210 PolarHBondContact O-N 2.76Å
207Q93.1Very high92Very high36 Ų3659.1 Ų59.117%0.16830%0.3CS..Hα-helixtrans-72.6-39.7172.1-71.6176.117.800112.2N166 M203 H204 L205 Q209 R210 H211N166-Q207 PolarHBondContact ND2-OE1 3.06Å; M203-Q207 WeakPolarHBondContact O-CG 3.39Å; M203-Q207 PolarHBondContact O-N 2.75Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 2.99Å; H204-Q207 VanDerWaalsContact O-N 3.1Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.44Å; Q207-Q209 VanDerWaalsContact C-N 3.28Å; Q207-Q209 PolarHBondContact O-N 3.11Å; Q207-R210 PolarHBondContact O-N 3.06Å; Q207-H211 WeakPolarHBondContact O-CB 3.01Å; Q207-H211 PolarHBondContact O-CD2 3.07Å; Q207-H211 PolarHBondContact O-N 3.25Å
208I92.6Very high91.7Very high11 Ų1159.4 Ų59.46%0.05630%0.301CS..Hα-helixtrans-57.7-42.4175.7-66.6169.5000110.7N166 H204 L205 R210 I218 L220N166-I208 WeakPolarHBondContact OD1-CG1 3.17Å; H204-I208 WeakPolarHBondContact O-CG1 3.32Å; H204-I208 PolarHBondContact O-N 3.47Å; L205-I208 PolarHBondContact O-N 3.21Å; I208-R210 VanDerWaalsContact C-N 3.32Å; I208-R210 PolarHBondContact O-N 3.02Å; I208-I218 HydrophobicContact CD1-CB 4.35Å; I208-I218 HydrophobicContact CD1-CD1 3.93Å; I208-I218 HydrophobicContact CD1-CG2 4.45Å; I208-I218 HydrophobicContact CG1-CB 4.47Å; I208-I218 HydrophobicContact CG1-CD1 4.43Å; I208-I218 HydrophobicContact CG2-CB 4.2Å; I208-I218 HydrophobicContact CG2-CG2 4.41Å; I208-L220 HydrophobicContact CG2-CD1 4.19Å; I208-L220 HydrophobicContact CG2-CD2 4.44Å; I208-L220 HydrophobicContact CG2-CG 4.07Å
209Q89.6Confident91.3Very high105 Ų10562.6 Ų62.649%0.49132%0.318SS..Hα-helixtrans-61.3-37.4175.2-67.1170.1-5.400113L205 Q207 L262L205-Q209 PolarHBondContact O-N 3.29Å; Q207-Q209 VanDerWaalsContact C-N 3.28Å; Q207-Q209 PolarHBondContact O-N 3.11Å; Q209-L262 HydrophobicContact CG-CD2 4.41Å; Q209-L262 VanDerWaalsContact NE2-CD1 3.3Å
210R90.5Very high91Very high203 Ų20359.9 Ų59.977%0.76630%0.304SS*.Hα-helixtrans-84-27.2-175.4-69.3172.8-174.5-167.31.8114.1G206 Q207 I208G206-R210 VanDerWaalsContact O-CG 3.3Å; G206-R210 WeakPolarHBondContact O-CG 3.09Å; G206-R210 PolarHBondContact O-N 2.76Å; Q207-R210 PolarHBondContact O-N 3.06Å; I208-R210 VanDerWaalsContact C-N 3.32Å; I208-R210 PolarHBondContact O-N 3.02Å
211H87.2Confident90.6Very high76 Ų7661.7 Ų61.735%0.35231%0.313SS..  trans-114.231.7-168.9-62.4-56.8000114.3Q207 N213 Q214 A217Q207-H211 WeakPolarHBondContact O-CB 3.01Å; Q207-H211 PolarHBondContact O-CD2 3.07Å; Q207-H211 PolarHBondContact O-N 3.25Å; H211-N213 PolarHBondContact O-N 3.47Å; H211-N213 VanDerWaalsContact O-N 3.12Å; H211-Q214 PolarHBondContact O-N 3.04Å; H211-A217 WeakPolarHBondContact O-CB 3.17Å
212H84Confident90.3Very high105 Ų10563.9 Ų63.949%0.48633%0.325SS..THydrogen-bonded Turntrans-64.4-13.4179.6-167.861.8000114.6Q214H212-Q214 VanDerWaalsContact C-N 3.32Å; H212-Q214 PolarHBondContact O-N 3.32Å
213N84.8Confident90Very high143 Ų14364.4 Ų64.477%0.76534%0.335SS*.THydrogen-bonded Turntrans-80.3-4.1-178.365.7-20.8000114.9H211H211-N213 PolarHBondContact O-N 3.47Å; H211-N213 VanDerWaalsContact O-N 3.12Å
214Q85.6Confident89.7Confident93 Ų9366.8 Ų66.844%0.43535%0.345SS..SBendtrans-86.8140.8179.6-56.8-179.24.500111.2H211 H212 T216 A217H211-Q214 PolarHBondContact O-N 3.04Å; H212-Q214 VanDerWaalsContact C-N 3.32Å; H212-Q214 PolarHBondContact O-N 3.32Å; Q214-T216 PolarHBondContact O-N 3.5Å; Q214-T216 VanDerWaalsContact O-N 3.13Å; Q214-A217 HydrophobicContact CB-CB 4.22Å; Q214-A217 WeakPolarHBondContact O-CB 3.33Å; Q214-A217 PolarHBondContact O-N 3.02Å
215S83.3Confident89.6Confident131 Ų13166.9 Ų66.992%0.91635%0.346SS*.THydrogen-bonded Turntrans-64.5-18.4-177.355.90000114.8
216T87.4Confident89.4Confident30 Ų3066.5 Ų66.518%0.18434%0.344CS..THydrogen-bonded Turntrans-105.49.7172.955.70000113.5N167 S168 Q214N167-T216 WeakPolarHBondContact CA-O 3.43Å; S168-T216 PolarHBondContact N-O 3.47Å; S168-T216 PolarHBondContact OG-O 2.88Å; Q214-T216 PolarHBondContact O-N 3.5Å; Q214-T216 VanDerWaalsContact O-N 3.13Å
217A90.4Very high89.3Confident18 Ų1865.8 Ų65.815%0.14934%0.336CS..  trans-62.6149.9179.700000112.1H211 Q214H211-A217 WeakPolarHBondContact O-CB 3.17Å; Q214-A217 HydrophobicContact CB-CB 4.22Å; Q214-A217 WeakPolarHBondContact O-CB 3.33Å; Q214-A217 PolarHBondContact O-N 3.02Å
218I92.1Very high89.4Confident6 Ų665.6 Ų65.63%0.03134%0.336CS..  trans-75.2136.3171.1-63.4167.3000108.7E171 I208 L220E171-I218 HydrophobicContact CB-CD1 4.4Å; E171-I218 HydrophobicContact CG-CD1 3.93Å; E171-I218 HydrophobicContact CG-CG1 4.36Å; I208-I218 HydrophobicContact CD1-CB 4.35Å; I208-I218 HydrophobicContact CD1-CD1 3.93Å; I208-I218 HydrophobicContact CD1-CG2 4.45Å; I208-I218 HydrophobicContact CG1-CB 4.47Å; I208-I218 HydrophobicContact CG1-CD1 4.43Å; I208-I218 HydrophobicContact CG2-CB 4.2Å; I208-I218 HydrophobicContact CG2-CG2 4.41Å; I218-L220 HydrophobicContact CG2-CD2 4.45Å
219N89.8Confident89.5Confident67 Ų6765.5 Ų65.536%0.35834%0.335SS..  trans-114.1105.6177.6-176.6-3.6000110.1N221 N222N219-N221 PolarHBondContact O-N 3.33Å; N219-N221 WeakPolarHBondContact OD1-CB 3.14Å; N219-N221 PolarHBondContact OD1-N 3.4Å; N219-N221 PolarHBondContact OD1-ND2 2.72Å; N219-N222 VanDerWaalsContact O-CB 3.24Å; N219-N222 WeakPolarHBondContact O-CB 3.03Å; N219-N222 PolarHBondContact O-N 3.12Å
220L89.3Confident89.7Confident21 Ų2160.6 Ų60.611%0.1131%0.312CS..THydrogen-bonded Turntrans-64.2-8.9-178.9-61.4175.1000114.3L205 I208 I218 N222L205-L220 HydrophobicContact CD1-CD1 4.04Å; I208-L220 HydrophobicContact CG2-CD1 4.19Å; I208-L220 HydrophobicContact CG2-CD2 4.44Å; I208-L220 HydrophobicContact CG2-CG 4.07Å; I218-L220 HydrophobicContact CG2-CD2 4.45Å; L220-N222 VanDerWaalsContact C-N 3.27Å
221N89.3Confident89.9Confident69 Ų6953.5 Ų53.537%0.36929%0.288SS..THydrogen-bonded Turntrans-80.2-7.1170.4-57.9-88000113.2N219 K265N219-N221 PolarHBondContact O-N 3.33Å; N219-N221 WeakPolarHBondContact OD1-CB 3.14Å; N219-N221 PolarHBondContact OD1-N 3.4Å; N219-N221 PolarHBondContact OD1-ND2 2.72Å; N221-K265 PolarHBondContact O-NZ 2.9Å
222N90.3Very high90.3Very high56 Ų5650.1 Ų50.130%0.29927%0.273SS..SBendtrans-75.6117.2166.2179.419.5000109.1N219 L220 E224 S225 Q226N219-N222 VanDerWaalsContact O-CB 3.24Å; N219-N222 WeakPolarHBondContact O-CB 3.03Å; N219-N222 PolarHBondContact O-N 3.12Å; L220-N222 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 3.35Å; N222-E224 PolarHBondContact OD1-N 2.74Å; N222-S225 PolarHBondContact ND2-N 3.27Å; N222-S225 PolarHBondContact ND2-OG 3.31Å; N222-S225 PolarHBondContact O-N 2.88Å; N222-Q226 WeakPolarHBondContact O-CB 3.12Å; N222-Q226 PolarHBondContact O-N 3.21Å
223P89.2Confident90.9Very high62 Ų6245.4 Ų45.440%0.40325%0.251SS..Hα-helixtrans-63.1-21.4179.927.1-36.1000113.3S227P223-S227 WeakPolarHBondContact O-CB 3.41Å; P223-S227 PolarHBondContact O-N 3.06Å
224E90.9Very high91.4Very high133 Ų13339.1 Ų39.162%0.62122%0.217SC*.Hα-helixtrans-76.1-51.1177-60.1178.8157.300111.6N222 Q226 S227 M228N222-E224 PolarHBondContact O-N 3.35Å; N222-E224 PolarHBondContact OD1-N 2.74Å; E224-Q226 VanDerWaalsContact C-N 3.28Å; E224-Q226 PolarHBondContact O-N 3.43Å; E224-S227 WeakPolarHBondContact O-CA 3.42Å; E224-S227 WeakPolarHBondContact O-CB 3.46Å; E224-S227 PolarHBondContact O-N 3.36Å; E224-M228 PolarHBondContact O-N 3.33Å
225S92.4Very high91.9Very high6 Ų636.1 Ų36.14%0.04221%0.205CC..Hα-helixtrans-55-44.4170.5-58.90000111.3E171 N222 S227 M228 H229E171-S225 VanDerWaalsContact OE1-CA 3.29Å; E171-S225 WeakPolarHBondContact OE1-CA 3.19Å; E171-S225 WeakPolarHBondContact OE1-CB 3.46Å; E171-S225 PolarHBondContact OE1-OG 3.1Å; E171-S225 VanDerWaalsContact OE2-CB 3.29Å; E171-S225 WeakPolarHBondContact OE2-CB 3.39Å; E171-S225 PolarHBondContact OE2-OG 2.85Å; N222-S225 PolarHBondContact ND2-N 3.27Å; N222-S225 PolarHBondContact ND2-OG 3.31Å; N222-S225 PolarHBondContact O-N 2.88Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.09Å; S225-M228 PolarHBondContact O-N 3.02Å; S225-H229 WeakPolarHBondContact O-CB 2.86Å; S225-H229 PolarHBondContact O-CD2 3.24Å; S225-H229 PolarHBondContact O-N 3.43Å
226Q91.6Very high92.5Very high6 Ų629.9 Ų29.93%0.02816%0.161CC..Hα-helixtrans-61.2-38.4174.3-170.2-174.7-5.400112.3N222 E224 L230 S263 K265N222-Q226 WeakPolarHBondContact O-CB 3.12Å; N222-Q226 PolarHBondContact O-N 3.21Å; E224-Q226 VanDerWaalsContact C-N 3.28Å; E224-Q226 PolarHBondContact O-N 3.43Å; Q226-L230 HydrophobicContact CG-CD1 4.13Å; Q226-L230 WeakPolarHBondContact O-CB 3.42Å; Q226-L230 VanDerWaalsContact O-CG 3.28Å; Q226-L230 WeakPolarHBondContact O-CG 3.37Å; Q226-L230 PolarHBondContact O-N 3.26Å; Q226-S263 VanDerWaalsContact CD-OG 3.29Å; Q226-S263 PolarHBondContact NE2-OG 2.98Å; Q226-S263 VanDerWaalsContact OE1-CB 3.31Å; Q226-S263 PolarHBondContact OE1-OG 3.03Å; Q226-K265 PolarHBondContact NE2-O 3.27Å
227S92.6Very high92.9Very high5 Ų528.5 Ų28.54%0.03515%0.152CC..Hα-helixtrans-59.7-53175-154.70000110.9P223 E224 S225 H229 L230 E231 K268P223-S227 WeakPolarHBondContact O-CB 3.41Å; P223-S227 PolarHBondContact O-N 3.06Å; E224-S227 WeakPolarHBondContact O-CA 3.42Å; E224-S227 WeakPolarHBondContact O-CB 3.46Å; E224-S227 PolarHBondContact O-N 3.36Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.09Å; S227-H229 PolarHBondContact O-N 2.85Å; S227-L230 PolarHBondContact O-N 2.84Å; S227-L230 VanDerWaalsContact O-N 3.08Å; S227-E231 WeakPolarHBondContact CB-OE1 3.49Å; S227-E231 WeakPolarHBondContact O-CB 3.01Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.45Å; S227-E231 PolarHBondContact O-N 3.37Å; S227-E231 PolarHBondContact OG-OE1 2.94Å; S227-K268 WeakPolarHBondContact OG-CD 3.38Å; S227-K268 WeakPolarHBondContact OG-CE 3.47Å; S227-K268 PolarHBondContact OG-NZ 3.08Å
228M94Very high93.1Very high32 Ų3230.5 Ų30.516%0.15816%0.161CC..Hα-helixtrans-65.9-37.3-178.1-58.8-177.6-70.100112.5E171 R172 H175 E224 S225 L230 E231 T232E171-M228 HydrophobicContact CB-CE 4.34Å; E171-M228 HydrophobicContact CG-CE 3.85Å; R172-M228 HydrophobicContact CB-SD 4.24Å; H175-M228 HydrophobicContact CB-CB 4.3Å; H175-M228 WeakPolarHBondContact CD2-CB 3.46Å; E224-M228 PolarHBondContact O-N 3.33Å; S225-M228 PolarHBondContact O-N 3.02Å; M228-L230 VanDerWaalsContact C-N 3.33Å; M228-L230 PolarHBondContact O-N 3.4Å; M228-E231 PolarHBondContact O-N 3.5Å; M228-T232 PolarHBondContact O-N 3.3Å; M228-T232 PolarHBondContact O-OG1 3.33Å
229H94.4Very high93.2Very high9 Ų930.5 Ų30.54%0.04216%0.162CC..Hα-helixtrans-63.4-33.9171.5-91.9-76.3000113.1E171 H175 S225 S227 T232 R233 L259E171-H229 IonicContact OE1-CD2 3.37Å; E171-H229 PolarHBondContact OE1-CD2 2.83Å; E171-H229 IonicContact OE1-NE2 2.76Å; H175-H229 AromaticContact CE1-CD2 3.6Å; H175-H229 AromaticContact CE1-CE1 3.7Å; H175-H229 AromaticContact CE1-CG 3.61Å; H175-H229 AromaticContact CE1-ND1 3.67Å; H175-H229 AromaticContact CE1-NE2 3.68Å; H175-H229 AromaticContact NE2-CD2 3.64Å; H175-H229 AromaticContact NE2-NE2 3.87Å; S225-H229 WeakPolarHBondContact O-CB 2.86Å; S225-H229 PolarHBondContact O-CD2 3.24Å; S225-H229 PolarHBondContact O-N 3.43Å; S227-H229 PolarHBondContact O-N 2.85Å; H229-T232 PolarHBondContact O-OG1 2.97Å; H229-T232 VanDerWaalsContact O-OG1 3.07Å; H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 3.45Å; H229-L259 HydrophobicContact CB-CD1 4.36Å; H229-L259 HydrophobicContact CB-CD2 4.4Å
230L94Very high93.5Very high2 Ų227.3 Ų27.31%0.0114%0.144CC..Hα-helixtrans-78.5-38.7174.8-72.8170000112Q226 S227 M228 R233 L234 I256 L259 F260 P267 L271Q226-L230 HydrophobicContact CG-CD1 4.13Å; Q226-L230 WeakPolarHBondContact O-CB 3.42Å; Q226-L230 VanDerWaalsContact O-CG 3.28Å; Q226-L230 WeakPolarHBondContact O-CG 3.37Å; Q226-L230 PolarHBondContact O-N 3.26Å; S227-L230 PolarHBondContact O-N 2.84Å; S227-L230 VanDerWaalsContact O-N 3.08Å; M228-L230 VanDerWaalsContact C-N 3.33Å; M228-L230 PolarHBondContact O-N 3.4Å; L230-R233 PolarHBondContact O-N 2.92Å; L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; L230-I256 HydrophobicContact CD2-CG2 4.1Å; L230-L259 HydrophobicContact CD2-CB 3.92Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å; L230-F260 HydrophobicContact CD1-CD1 4.24Å; L230-F260 HydrophobicContact CD1-CE1 3.86Å; L230-F260 HydrophobicContact CD2-CD1 3.89Å; L230-F260 HydrophobicContact CD2-CE1 3.52Å; L230-F260 HydrophobicContact CD2-CZ 4.41Å; L230-F260 HydrophobicContact CG-CE1 4.36Å; L230-P267 HydrophobicContact CD1-CB 3.46Å; L230-P267 VanDerWaalsContact CD1-CB 3.46Å; L230-P267 HydrophobicContact CD1-CG 4.13Å; L230-L271 HydrophobicContact CB-CD1 4.33Å
231E94.6Very high93.8Very high53 Ų5327.9 Ų27.925%0.24815%0.147CC..Hα-helixtrans-61.6-43.6177-73156.6-141.100111.6S227 M228 L234 V235 L271S227-E231 WeakPolarHBondContact CB-OE1 3.49Å; S227-E231 WeakPolarHBondContact O-CB 3.01Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.45Å; S227-E231 PolarHBondContact O-N 3.37Å; S227-E231 PolarHBondContact OG-OE1 2.94Å; M228-E231 PolarHBondContact O-N 3.5Å; E231-L234 PolarHBondContact O-N 3.06Å; E231-V235 PolarHBondContact O-N 3.45Å; E231-L271 HydrophobicContact CG-CD1 4.13Å; E231-L271 HydrophobicContact CG-CD2 3.79Å
232T96Very high94Very high6 Ų628.4 Ų28.44%0.03716%0.156CC..Hα-helixtrans-62.6-41.7173.944.10000113.2H175 A178 Q179 M228 H229 L234 V235 Q236H175-T232 HydrophobicContact CB-CG2 3.61Å; H175-T232 WeakPolarHBondContact ND1-CG2 3.23Å; H175-T232 WeakPolarHBondContact O-CG2 3.49Å; A178-T232 HydrophobicContact CB-CG2 4.13Å; Q179-T232 HydrophobicContact CG-CG2 4.05Å; M228-T232 PolarHBondContact O-N 3.3Å; M228-T232 PolarHBondContact O-OG1 3.33Å; H229-T232 PolarHBondContact O-OG1 2.97Å; H229-T232 VanDerWaalsContact O-OG1 3.07Å; T232-L234 VanDerWaalsContact C-N 3.34Å; T232-V235 PolarHBondContact O-N 3.39Å; T232-Q236 PolarHBondContact O-N 2.84Å
233R96.2Very high94Very high6 Ų626.2 Ų26.22%0.02314%0.144CC..Hα-helixtrans-70.2-29.4174.5-62.8-58.7-174.2-176.70.8113.1L201 H229 L230 V235 Q236 L237 I256 L259L201-R233 VanDerWaalsContact C-NH2 3.35Å; L201-R233 VanDerWaalsContact CB-NH1 3.34Å; L201-R233 PolarHBondContact O-NH2 3.06Å; H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 3.45Å; L230-R233 PolarHBondContact O-N 2.92Å; R233-V235 VanDerWaalsContact C-N 3.34Å; R233-Q236 WeakPolarHBondContact O-CB 3.47Å; R233-Q236 PolarHBondContact O-N 3.22Å; R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 PolarHBondContact O-N 3.41Å; R233-I256 HydrophobicContact CB-CD1 3.97Å; R233-I256 HydrophobicContact CB-CG1 3.46Å; R233-I256 VanDerWaalsContact CB-CG1 3.46Å; R233-I256 HydrophobicContact CG-CG1 4.26Å; R233-L259 HydrophobicContact CG-CD1 3.65Å
234L95.2Very high94.2Very high10 Ų1029.4 Ų29.45%0.05215%0.154CC..Hα-helixtrans-69.6-32.3173.7-78.2167.9000112L230 E231 T232 D238 I256 L271 Y275 K278L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 3.21Å; E231-L234 PolarHBondContact O-N 3.06Å; T232-L234 VanDerWaalsContact C-N 3.34Å; L234-D238 PolarHBondContact O-N 2.91Å; L234-I256 HydrophobicContact CD2-CD1 4.39Å; L234-L271 HydrophobicContact CD1-CB 4.2Å; L234-L271 HydrophobicContact CD1-CD2 4.1Å; L234-Y275 HydrophobicContact CD2-CD2 4.46Å; L234-K278 HydrophobicContact CD2-CD 3.89Å; L234-K278 PolarHBondContact O-NZ 3.19Å
235V95.9Very high94.4Very high31 Ų3124.3 Ų24.319%0.18813%0.131CC..Hα-helixtrans-73.1-41.1169.4174.20000111.2Q179 F182 E231 T232 R233 L237 D238 S239Q179-V235 HydrophobicContact CB-CG1 4.45Å; Q179-V235 HydrophobicContact CG-CB 4.29Å; Q179-V235 HydrophobicContact CG-CG1 4.36Å; Q179-V235 HydrophobicContact CG-CG2 4.1Å; F182-V235 HydrophobicContact CB-CG1 4.07Å; F182-V235 HydrophobicContact CD2-CG1 4.19Å; E231-V235 PolarHBondContact O-N 3.45Å; T232-V235 PolarHBondContact O-N 3.39Å; R233-V235 VanDerWaalsContact C-N 3.34Å; V235-L237 PolarHBondContact O-N 3.19Å; V235-D238 PolarHBondContact O-N 3.29Å; V235-S239 PolarHBondContact O-N 3.09Å; V235-S239 PolarHBondContact O-OG 3.4Å
236Q96.6Very high94.4Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-52.8-44.7171.2-177.6-176.6-26.400111.4F182 F194 C198 T232 R233 A240 A252 D255F182-Q236 HydrophobicContact CD2-CB 4.35Å; F182-Q236 HydrophobicContact CE1-CB 4.04Å; F182-Q236 HydrophobicContact CE1-CG 3.83Å; F182-Q236 HydrophobicContact CE2-CB 3.6Å; F182-Q236 HydrophobicContact CE2-CG 4.2Å; F182-Q236 HydrophobicContact CZ-CB 3.4Å; F182-Q236 VanDerWaalsContact CZ-CB 3.4Å; F182-Q236 HydrophobicContact CZ-CG 3.47Å; F182-Q236 VanDerWaalsContact CZ-CG 3.47Å; F194-Q236 HydrophobicContact CZ-CG 4.28Å; C198-Q236 PolarHBondContact SG-NE2 3.43Å; C198-Q236 VanDerWaalsContact SG-NE2 3.41Å; T232-Q236 PolarHBondContact O-N 2.84Å; R233-Q236 WeakPolarHBondContact O-CB 3.47Å; R233-Q236 PolarHBondContact O-N 3.22Å; Q236-A240 VanDerWaalsContact O-CB 3.32Å; Q236-A240 WeakPolarHBondContact O-CB 3.46Å; Q236-A240 PolarHBondContact O-N 2.9Å; Q236-A252 HydrophobicContact CG-CB 4.09Å; Q236-D255 PolarHBondContact NE2-OD2 2.93Å
237L95.8Very high94.4Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-65.1-44.5178.8-177.257.5000112R233 V235 A240 I241 A249 A252 V253 I256 K278 V279 V282R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 PolarHBondContact O-N 3.41Å; V235-L237 PolarHBondContact O-N 3.19Å; L237-A240 PolarHBondContact O-N 2.92Å; L237-I241 HydrophobicContact CD1-CD1 4.07Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.37Å; L237-A249 HydrophobicContact CD1-CB 3.91Å; L237-A252 HydrophobicContact CD1-CB 4.45Å; L237-V253 HydrophobicContact CD1-CG2 4Å; L237-V253 HydrophobicContact CD2-CG2 4.16Å; L237-I256 HydrophobicContact CD2-CD1 4.26Å; L237-K278 HydrophobicContact CD2-CB 3.78Å; L237-K278 HydrophobicContact CD2-CD 4.26Å; L237-K278 HydrophobicContact CG-CB 4.36Å; L237-V279 HydrophobicContact CD2-CG2 4.2Å; L237-V282 HydrophobicContact CD1-CG2 4.3Å
238D95Very high94.5Very high60 Ų6035.4 Ų35.432%0.32118%0.178SC..Hα-helixtrans-60.7-51.4176.3-67.6-15.4000111.4L234 V235 A240 I241 S242 K278L234-D238 PolarHBondContact O-N 2.91Å; V235-D238 PolarHBondContact O-N 3.29Å; D238-A240 VanDerWaalsContact C-N 3.26Å; D238-A240 PolarHBondContact O-N 3.47Å; D238-I241 PolarHBondContact O-N 3.19Å; D238-I241 VanDerWaalsContact O-N 3.07Å; D238-S242 PolarHBondContact O-N 3.24Å; D238-S242 PolarHBondContact O-OG 2.98Å; D238-K278 WeakPolarHBondContact OD1-CD 3.41Å; D238-K278 WeakPolarHBondContact OD1-CE 3.16Å; D238-K278 IonicContact OD1-NZ 3.43Å; D238-K278 PolarHBondContact OD1-NZ 3.06Å; D238-K278 IonicContact OD2-NZ 2.78Å; D238-K278 PolarHBondContact OD2-NZ 3.41Å
239S95.1Very high94.5Very high7 Ų733.9 Ų33.95%0.04917%0.17CC..Hα-helixtrans-63.1-32.2-180-61.40000112.6V235 M243V235-S239 PolarHBondContact O-N 3.09Å; V235-S239 PolarHBondContact O-OG 3.4Å; S239-M243 WeakPolarHBondContact O-CB 3.21Å; S239-M243 VanDerWaalsContact O-CE 3.32Å; S239-M243 WeakPolarHBondContact O-CE 3.27Å; S239-M243 PolarHBondContact O-N 3.44Å
240A96Very high94.3Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-67.4-42171.800000112.2F194 Q236 L237 D238 E244 L245 A249F194-A240 HydrophobicContact CE1-CB 3.93Å; F194-A240 HydrophobicContact CZ-CB 3.76Å; Q236-A240 VanDerWaalsContact O-CB 3.32Å; Q236-A240 WeakPolarHBondContact O-CB 3.46Å; Q236-A240 PolarHBondContact O-N 2.9Å; L237-A240 PolarHBondContact O-N 2.92Å; D238-A240 VanDerWaalsContact C-N 3.26Å; D238-A240 PolarHBondContact O-N 3.47Å; A240-E244 PolarHBondContact O-N 3.08Å; A240-L245 PolarHBondContact O-N 3.47Å; A240-A249 HydrophobicContact CB-CB 3.81Å
241I93.7Very high94.3Very high33 Ų3340 Ų4017%0.16920%0.197CC..Hα-helixtrans-65.2-47.7176.8-67.6162.4000110.3L237 D238 M243 E244 W246 A249 K278 V282L237-I241 HydrophobicContact CD1-CD1 4.07Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CD1 3.15Å; L237-I241 VanDerWaalsContact O-CG1 3.24Å; L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.37Å; D238-I241 PolarHBondContact O-N 3.19Å; D238-I241 VanDerWaalsContact O-N 3.07Å; I241-M243 VanDerWaalsContact C-N 3.25Å; I241-M243 PolarHBondContact O-N 2.97Å; I241-E244 PolarHBondContact O-N 2.98Å; I241-W246 HydrophobicContact CG1-CZ3 4.24Å; I241-W246 HydrophobicContact CG2-CH2 4.07Å; I241-W246 HydrophobicContact CG2-CZ3 4.19Å; I241-A249 HydrophobicContact CG1-CB 4.37Å; I241-K278 HydrophobicContact CD1-CB 4.44Å; I241-V282 HydrophobicContact CD1-CG2 3.59Å; I241-V282 HydrophobicContact CG1-CG2 3.75Å
242S93.9Very high94.4Very high79 Ų7937.5 Ų37.555%0.55219%0.185SC*.Hα-helixtrans-65.8-22.3-179.6-60.40000114.3D238D238-S242 PolarHBondContact O-N 3.24Å; D238-S242 PolarHBondContact O-OG 2.98Å
243M91.4Very high94.3Very high11 Ų1137.4 Ų37.45%0.05418%0.184CC..THydrogen-bonded Turntrans-98.56.8172.1-69.5-170.6-78.800113.8C185 L186 K191 F194 S239 I241 L245C185-M243 HydrophobicContact CB-CE 4.23Å; L186-M243 HydrophobicContact CD1-CG 3.64Å; K191-M243 WeakPolarHBondContact CE-O 3.41Å; K191-M243 HydrophobicContact CG-SD 4.41Å; F194-M243 HydrophobicContact CB-CE 4.09Å; F194-M243 HydrophobicContact CD1-CE 4.3Å; F194-M243 HydrophobicContact CD2-CE 3.31Å; F194-M243 HydrophobicContact CE2-CE 3.71Å; F194-M243 HydrophobicContact CG-CE 3.64Å; F194-M243 HydrophobicContact CZ-CE 4.36Å; S239-M243 WeakPolarHBondContact O-CB 3.21Å; S239-M243 VanDerWaalsContact O-CE 3.32Å; S239-M243 WeakPolarHBondContact O-CE 3.27Å; S239-M243 PolarHBondContact O-N 3.44Å; I241-M243 VanDerWaalsContact C-N 3.25Å; I241-M243 PolarHBondContact O-N 2.97Å; M243-L245 HydrophobicContact CB-CD1 4.15Å; M243-L245 HydrophobicContact CB-CG 3.98Å; M243-L245 HydrophobicContact CE-CD1 4.3Å; M243-L245 PolarHBondContact O-N 2.79Å
244E93.1Very high94.1Very high128 Ų12839.6 Ų39.660%0.59820%0.195SC*.THydrogen-bonded Turntrans56.127.7-177.2-54-165.2128.900114.4A240 I241 W246A240-E244 PolarHBondContact O-N 3.08Å; I241-E244 PolarHBondContact O-N 2.98Å; E244-W246 HydrophobicContact CB-CZ2 4.37Å; E244-W246 HydrophobicContact CG-CZ2 4.31Å; E244-W246 PolarHBondContact O-N 3.1Å; E244-W246 PolarHBondContact O-NE1 2.68Å
245L94.9Very high94.1Very high26 Ų2640.4 Ų40.414%0.13620%0.199CC..  trans-82.959178.2-63.8179.7000111K191 F194 A240 M243 Q247 E248 A249K191-L245 HydrophobicContact CB-CD1 4.4Å; K191-L245 HydrophobicContact CB-CD2 4.34Å; K191-L245 HydrophobicContact CD-CD2 4.1Å; K191-L245 HydrophobicContact CG-CD1 4.26Å; K191-L245 HydrophobicContact CG-CD2 4.12Å; K191-L245 HydrophobicContact CG-CG 4.48Å; F194-L245 HydrophobicContact CB-CD1 4.39Å; F194-L245 HydrophobicContact CD1-CD1 3.45Å; F194-L245 VanDerWaalsContact CD1-CD1 3.45Å; F194-L245 HydrophobicContact CE1-CD1 3.96Å; F194-L245 HydrophobicContact CG-CD1 4.08Å; A240-L245 PolarHBondContact O-N 3.47Å; M243-L245 HydrophobicContact CB-CD1 4.15Å; M243-L245 HydrophobicContact CB-CG 3.98Å; M243-L245 HydrophobicContact CE-CD1 4.3Å; M243-L245 PolarHBondContact O-N 2.79Å; L245-Q247 PolarHBondContact O-N 3.14Å; L245-E248 HydrophobicContact CB-CB 4.36Å; L245-E248 PolarHBondContact O-N 3.38Å; L245-A249 PolarHBondContact O-N 3.3Å
246W92.6Very high94Very high84 Ų8439 Ų3932%0.31819%0.191SC..Hα-helixtrans-52.3-31.7-172.7-56.7109.6000114.6I241 E244 F250 V282 K285I241-W246 HydrophobicContact CG1-CZ3 4.24Å; I241-W246 HydrophobicContact CG2-CH2 4.07Å; I241-W246 HydrophobicContact CG2-CZ3 4.19Å; E244-W246 HydrophobicContact CB-CZ2 4.37Å; E244-W246 HydrophobicContact CG-CZ2 4.31Å; E244-W246 PolarHBondContact O-N 3.1Å; E244-W246 PolarHBondContact O-NE1 2.68Å; W246-F250 WeakPolarHBondContact O-CB 3.49Å; W246-F250 PolarHBondContact O-N 3.21Å; W246-V282 HydrophobicContact CZ3-CG2 4.4Å; W246-K285 HydrophobicContact CE3-CB 4.39Å; W246-K285 HydrophobicContact CH2-CB 3.56Å; W246-K285 HydrophobicContact CH2-CD 4.34Å; W246-K285 HydrophobicContact CH2-CG 3.67Å; W246-K285 HydrophobicContact CZ2-CB 3.97Å; W246-K285 HydrophobicContact CZ2-CD 4.5Å; W246-K285 HydrophobicContact CZ2-CG 4.22Å; W246-K285 HydrophobicContact CZ3-CB 3.78Å; W246-K285 HydrophobicContact CZ3-CG 4.23Å
247Q91.4Very high93.8Very high157 Ų15741.2 Ų41.273%0.73420%0.201SC*.Hα-helixtrans-69.6-40.2174.7-65.5-176.7-0.800113.2L245 F250 K251L245-Q247 PolarHBondContact O-N 3.14Å; Q247-F250 PolarHBondContact O-N 3.39Å; Q247-K251 WeakPolarHBondContact O-CG 3.48Å; Q247-K251 PolarHBondContact O-N 2.68Å
248E93.9Very high93.6Very high10 Ų1042.6 Ų42.65%0.04722%0.215CC..Hα-helixtrans-76.6-30174-70.9-5413500111.9F194 R195 R202 L245 F250 K251 A252F194-E248 HydrophobicContact CE1-CB 3.92Å; F194-E248 HydrophobicContact CE1-CG 4.38Å; R195-E248 HydrophobicContact CG-CG 4.12Å; R202-E248 IonicContact CZ-OE2 3.61Å; R202-E248 IonicContact NH1-OE2 3.79Å; R202-E248 PolarHBondContact NH1-OE2 2.88Å; R202-E248 IonicContact NH2-OE2 3.98Å; R202-E248 PolarHBondContact NH2-OE2 3.32Å; L245-E248 HydrophobicContact CB-CB 4.36Å; L245-E248 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-K251 PolarHBondContact O-N 2.93Å; E248-K251 WeakPolarHBondContact OE1-CD 3.44Å; E248-K251 WeakPolarHBondContact OE1-CE 3.47Å; E248-K251 IonicContact OE1-NZ 2.73Å; E248-K251 PolarHBondContact OE1-NZ 3.44Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.47Å; E248-A252 PolarHBondContact O-N 3.11Å
249A94.4Very high93.4Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-59.9-45.1168.600000110.5L237 A240 I241 L245 A252 V253 V282L237-A249 HydrophobicContact CD1-CB 3.91Å; A240-A249 HydrophobicContact CB-CB 3.81Å; I241-A249 HydrophobicContact CG1-CB 4.37Å; L245-A249 PolarHBondContact O-N 3.3Å; A249-A252 PolarHBondContact O-N 2.97Å; A249-V253 WeakPolarHBondContact O-CG2 3.25Å; A249-V253 PolarHBondContact O-N 3.3Å; A249-V282 HydrophobicContact CB-CG2 4.46Å
250F91.2Very high93.2Very high60 Ų6041.4 Ų41.426%0.26321%0.207SC..Hα-helixtrans-61.7-49.9174.3-178.1-103.5000112.3W246 Q247 E248 A252 V253 E254 L355 L358W246-F250 WeakPolarHBondContact O-CB 3.49Å; W246-F250 PolarHBondContact O-N 3.21Å; Q247-F250 PolarHBondContact O-N 3.39Å; E248-F250 VanDerWaalsContact C-N 3.33Å; F250-A252 VanDerWaalsContact C-N 3.26Å; F250-A252 PolarHBondContact O-N 3.06Å; F250-V253 WeakPolarHBondContact O-CA 3.26Å; F250-V253 WeakPolarHBondContact O-CB 3.45Å; F250-V253 PolarHBondContact O-N 3.06Å; F250-E254 HydrophobicContact CD1-CG 4.4Å; F250-E254 VanDerWaalsContact CE1-CD 3.4Å; F250-E254 HydrophobicContact CE1-CG 3.92Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.01Å; F250-E254 HydrophobicContact CZ-CG 4.03Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.43Å; F250-E254 PolarHBondContact O-N 3Å; F250-L355 HydrophobicContact CD2-CD2 4.49Å; F250-L355 HydrophobicContact CE2-CD2 3.56Å; F250-L355 HydrophobicContact CZ-CD2 4.21Å; F250-L358 HydrophobicContact CE2-CD1 3.62Å; F250-L358 HydrophobicContact CZ-CD1 3.64Å
251K94.4Very high92.9Very high79 Ų7945.2 Ų45.234%0.34324%0.238SC..Hα-helixtrans-59.7-35.2175.5-66.6174.2-169.6171.60112.5Q247 E248 V253 E254 D255Q247-K251 WeakPolarHBondContact O-CG 3.48Å; Q247-K251 PolarHBondContact O-N 2.68Å; E248-K251 PolarHBondContact O-N 2.93Å; E248-K251 WeakPolarHBondContact OE1-CD 3.44Å; E248-K251 WeakPolarHBondContact OE1-CE 3.47Å; E248-K251 IonicContact OE1-NZ 2.73Å; E248-K251 PolarHBondContact OE1-NZ 3.44Å; K251-V253 VanDerWaalsContact C-N 3.32Å; K251-V253 PolarHBondContact O-N 3.33Å; K251-E254 CarbonylContact O-C 3.59Å; K251-E254 PolarHBondContact O-N 3.05Å; K251-D255 VanDerWaalsContact O-CG 3.25Å; K251-D255 PolarHBondContact O-N 3.13Å
252A95.6Very high92.7Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-65.7-33.4174.900000112.3Q236 L237 E248 A249 F250 D255 I256Q236-A252 HydrophobicContact CG-CB 4.09Å; L237-A252 HydrophobicContact CD1-CB 4.45Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.47Å; E248-A252 PolarHBondContact O-N 3.11Å; A249-A252 PolarHBondContact O-N 2.97Å; F250-A252 VanDerWaalsContact C-N 3.26Å; F250-A252 PolarHBondContact O-N 3.06Å; A252-D255 PolarHBondContact O-N 3.35Å; A252-I256 WeakPolarHBondContact O-CD1 3.12Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 2.86Å
253V93.6Very high92.2Very high4 Ų443.8 Ų43.82%0.02423%0.225CC..Hα-helixtrans-65.9-39.5170.3170.80000111.1L237 A249 F250 K251 I256 H257 Y275 V279L237-V253 HydrophobicContact CD1-CG2 4Å; L237-V253 HydrophobicContact CD2-CG2 4.16Å; A249-V253 WeakPolarHBondContact O-CG2 3.25Å; A249-V253 PolarHBondContact O-N 3.3Å; F250-V253 WeakPolarHBondContact O-CA 3.26Å; F250-V253 WeakPolarHBondContact O-CB 3.45Å; F250-V253 PolarHBondContact O-N 3.06Å; K251-V253 VanDerWaalsContact C-N 3.32Å; K251-V253 PolarHBondContact O-N 3.33Å; V253-I256 PolarHBondContact O-N 2.89Å; V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.46Å; V253-Y275 HydrophobicContact CG1-CE2 4.35Å; V253-V279 HydrophobicContact CG1-CG2 4.41Å; V253-V279 HydrophobicContact CG2-CG2 3.71Å
254E92.7Very high91.8Very high52 Ų5252.6 Ų52.624%0.24326%0.263CS..Hα-helixtrans-66.2-40.9172.4-53.6-160.8120.700112F250 K251 I256 H257 G258 R354 L358F250-E254 HydrophobicContact CD1-CG 4.4Å; F250-E254 VanDerWaalsContact CE1-CD 3.4Å; F250-E254 HydrophobicContact CE1-CG 3.92Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.01Å; F250-E254 HydrophobicContact CZ-CG 4.03Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.43Å; F250-E254 PolarHBondContact O-N 3Å; K251-E254 CarbonylContact O-C 3.59Å; K251-E254 PolarHBondContact O-N 3.05Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 2.75Å; E254-H257 PolarHBondContact O-N 3.33Å; E254-G258 PolarHBondContact O-N 2.95Å; E254-R354 IonicContact OE1-CZ 2.8Å; E254-R354 IonicContact OE1-NE 2.65Å; E254-R354 PolarHBondContact OE1-NE 2.82Å; E254-R354 IonicContact OE1-NH2 3.12Å; E254-R354 PolarHBondContact OE1-NH2 3.28Å; E254-R354 IonicContact OE2-CZ 2.82Å; E254-R354 IonicContact OE2-NH2 3.56Å; E254-R354 PolarHBondContact OE2-NH2 2.82Å; E254-L358 HydrophobicContact CB-CD2 4.29Å; E254-L358 HydrophobicContact CG-CD1 3.87Å; E254-L358 HydrophobicContact CG-CD2 3.91Å
255D94.6Very high91.5Very high27 Ų2751.4 Ų51.414%0.14426%0.256CS..Hα-helixtrans-59.3-41.2173.7-69-46.5000111.4R202 Q236 K251 A252 L259R202-D255 WeakPolarHBondContact CG-OD1 3.11Å; R202-D255 IonicContact CZ-OD2 3.17Å; R202-D255 IonicContact NE-OD1 3.63Å; R202-D255 PolarHBondContact NE-OD1 2.93Å; R202-D255 IonicContact NE-OD2 2.85Å; R202-D255 PolarHBondContact NE-OD2 2.73Å; R202-D255 IonicContact NH2-OD2 2.68Å; R202-D255 PolarHBondContact NH2-OD2 2.87Å; Q236-D255 PolarHBondContact NE2-OD2 2.93Å; K251-D255 VanDerWaalsContact O-CG 3.25Å; K251-D255 PolarHBondContact O-N 3.13Å; A252-D255 PolarHBondContact O-N 3.35Å; D255-L259 WeakPolarHBondContact O-CG 3.41Å; D255-L259 PolarHBondContact O-N 3.14Å; D255-L259 VanDerWaalsContact O-N 3.08Å
256I94.3Very high91Very high1 Ų155.9 Ų55.91%0.00529%0.286CS..Hα-helixtrans-70.3-45.2177.2-69.2163.8000111.5L230 R233 L234 L237 A252 V253 E254 G258 L259 F260 Y275L230-I256 HydrophobicContact CD2-CG2 4.1Å; R233-I256 HydrophobicContact CB-CD1 3.97Å; R233-I256 HydrophobicContact CB-CG1 3.46Å; R233-I256 VanDerWaalsContact CB-CG1 3.46Å; R233-I256 HydrophobicContact CG-CG1 4.26Å; L234-I256 HydrophobicContact CD2-CD1 4.39Å; L237-I256 HydrophobicContact CD2-CD1 4.26Å; A252-I256 WeakPolarHBondContact O-CD1 3.12Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 2.86Å; V253-I256 PolarHBondContact O-N 2.89Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 2.75Å; I256-G258 VanDerWaalsContact C-N 3.29Å; I256-G258 PolarHBondContact O-N 3.48Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.15Å; I256-L259 VanDerWaalsContact O-N 3.12Å; I256-F260 HydrophobicContact CG2-CD2 4.35Å; I256-F260 HydrophobicContact CG2-CE1 3.99Å; I256-F260 HydrophobicContact CG2-CE2 3.72Å; I256-F260 HydrophobicContact CG2-CZ 3.5Å; I256-F260 PolarHBondContact O-N 2.87Å; I256-Y275 HydrophobicContact CB-CD2 4.37Å; I256-Y275 HydrophobicContact CB-CE2 3.93Å; I256-Y275 HydrophobicContact CD1-CD2 3.92Å; I256-Y275 HydrophobicContact CD1-CE2 4.04Å; I256-Y275 HydrophobicContact CG2-CD2 3.65Å; I256-Y275 HydrophobicContact CG2-CE2 3.47Å; I256-Y275 VanDerWaalsContact CG2-CE2 3.47Å; I256-Y275 HydrophobicContact CG2-CG 4.37Å
257H92.1Very high90.8Very high48 Ų4852.6 Ų52.622%0.22228%0.276CS..Hα-helixtrans-60.7-40.9176.3-176.491.2000111.2V253 E254 L259 F260 A261 T357 L358V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.46Å; E254-H257 PolarHBondContact O-N 3.33Å; H257-L259 PolarHBondContact O-N 3.41Å; H257-F260 WeakPolarHBondContact O-CB 3.21Å; H257-F260 PolarHBondContact O-N 3.06Å; H257-F260 VanDerWaalsContact O-N 3.17Å; H257-A261 PolarHBondContact O-N 3.08Å; H257-A261 VanDerWaalsContact O-N 3.07Å; H257-T357 PolarHBondContact CE1-O 2.88Å; H257-L358 HydrophobicContact CB-CD2 3.75Å; H257-L358 WeakPolarHBondContact ND1-CA 3.42Å; H257-L358 PolarHBondContact ND1-O 3.26Å
258G91.8Very high90.6Very high28 Ų2850.6 Ų50.629%0.28927%0.265SS..Hα-helixtrans-58-44.3171.500000112.8E254 I256 F260 A261 L262E254-G258 PolarHBondContact O-N 2.95Å; I256-G258 VanDerWaalsContact C-N 3.29Å; I256-G258 PolarHBondContact O-N 3.48Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.18Å; G258-A261 PolarHBondContact O-N 3.41Å; G258-A261 VanDerWaalsContact O-N 3.17Å; G258-L262 WeakPolarHBondContact O-CB 3.38Å; G258-L262 WeakPolarHBondContact O-CD1 3.39Å; G258-L262 WeakPolarHBondContact O-CG 3.27Å; G258-L262 PolarHBondContact O-N 3.32Å
259L91.6Very high90.4Very high6 Ų653 Ų533%0.03128%0.281CS..Hα-helixtrans-63.4-32174.7-76.9171.2000113.7L205 H229 L230 R233 D255 I256 H257 L262L205-L259 HydrophobicContact CD1-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CD2 3.75Å; L205-L259 HydrophobicContact CD2-CG 4.06Å; L205-L259 HydrophobicContact CG-CD2 4.43Å; H229-L259 HydrophobicContact CB-CD1 4.36Å; H229-L259 HydrophobicContact CB-CD2 4.4Å; L230-L259 HydrophobicContact CD2-CB 3.92Å; L230-L259 HydrophobicContact CD2-CD1 4.17Å; R233-L259 HydrophobicContact CG-CD1 3.65Å; D255-L259 WeakPolarHBondContact O-CG 3.41Å; D255-L259 PolarHBondContact O-N 3.14Å; D255-L259 VanDerWaalsContact O-N 3.08Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.15Å; I256-L259 VanDerWaalsContact O-N 3.12Å; H257-L259 PolarHBondContact O-N 3.41Å; L259-L262 HydrophobicContact CD2-CD1 4.47Å
260F90.7Very high90.2Very high37 Ų3756.6 Ų56.616%0.16230%0.298CS..Hα-helixtrans-67.2-40.8171.4-62.1-27.3000111.9L230 I256 H257 G258 P267 M272 Y275L230-F260 HydrophobicContact CD1-CD1 4.24Å; L230-F260 HydrophobicContact CD1-CE1 3.86Å; L230-F260 HydrophobicContact CD2-CD1 3.89Å; L230-F260 HydrophobicContact CD2-CE1 3.52Å; L230-F260 HydrophobicContact CD2-CZ 4.41Å; L230-F260 HydrophobicContact CG-CE1 4.36Å; I256-F260 HydrophobicContact CG2-CD2 4.35Å; I256-F260 HydrophobicContact CG2-CE1 3.99Å; I256-F260 HydrophobicContact CG2-CE2 3.72Å; I256-F260 HydrophobicContact CG2-CZ 3.5Å; I256-F260 PolarHBondContact O-N 2.87Å; H257-F260 WeakPolarHBondContact O-CB 3.21Å; H257-F260 PolarHBondContact O-N 3.06Å; H257-F260 VanDerWaalsContact O-N 3.17Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.18Å; F260-P267 HydrophobicContact CD1-CG 3.83Å; F260-P267 HydrophobicContact CE1-CG 3.75Å; F260-M272 HydrophobicContact CD1-CE 4.07Å; F260-M272 HydrophobicContact CD2-CE 3.98Å; F260-M272 HydrophobicContact CE1-CE 3.97Å; F260-M272 HydrophobicContact CE1-CG 4.22Å; F260-M272 HydrophobicContact CE2-CE 3.88Å; F260-M272 HydrophobicContact CG-CE 4.08Å; F260-M272 HydrophobicContact CZ-CE 3.88Å; F260-M272 HydrophobicContact CZ-CG 3.9Å; F260-Y275 AromaticContact CE2-CD1 3.99Å; F260-Y275 HydrophobicContact CE2-CD1 3.99Å; F260-Y275 AromaticContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CZ-CD1 4.18Å; F260-Y275 HydrophobicContact CZ-CE1 4.4Å; F260-Y275 HydrophobicContact CZ-CG 4.34Å
261A89.6Confident90.1Very high80 Ų8055 Ų5566%0.66129%0.292SS*.Hα-helixtrans-72.7-27178.600000113.9H257 G258H257-A261 PolarHBondContact O-N 3.08Å; H257-A261 VanDerWaalsContact O-N 3.07Å; G258-A261 PolarHBondContact O-N 3.41Å; G258-A261 VanDerWaalsContact O-N 3.17Å
262L88.6Confident89.9Confident69 Ų6952.9 Ų52.936%0.36128%0.284SS..Hα-helixtrans-75.9-22-179.1-75.1164.6000114.2Q209 G258 L259Q209-L262 HydrophobicContact CG-CD2 4.41Å; Q209-L262 VanDerWaalsContact NE2-CD1 3.3Å; G258-L262 WeakPolarHBondContact O-CB 3.38Å; G258-L262 WeakPolarHBondContact O-CD1 3.39Å; G258-L262 WeakPolarHBondContact O-CG 3.27Å; G258-L262 PolarHBondContact O-N 3.32Å; L259-L262 HydrophobicContact CD2-CD1 4.47Å
263S83.9Confident89.7Confident12 Ų1253.2 Ų53.28%0.08429%0.287CS..  trans-102.6138.7176.1-177.90000111.3Q226 K265Q226-S263 VanDerWaalsContact CD-OG 3.29Å; Q226-S263 PolarHBondContact NE2-OG 2.98Å; Q226-S263 VanDerWaalsContact OE1-CB 3.31Å; Q226-S263 PolarHBondContact OE1-OG 3.03Å; S263-K265 PolarHBondContact O-N 3.12Å; S263-K265 PolarHBondContact OG-N 3.44Å; S263-K265 VanDerWaalsContact OG-N 3.17Å; S263-K265 PolarHBondContact OG-O 2.83Å
264K83.6Confident89.5Confident197 Ų19756.3 Ų56.386%0.85730%0.303SS*.SBendtrans-80.2-4.2172.7-63.2-177179.7-179.60113.4
265K86.7Confident89.6Confident103 Ų10354 Ų5445%0.44829%0.292SS..SBendtrans-106.7135.3179.7-69.2175.8-178.2164.70110.3N221 Q226 S263N221-K265 PolarHBondContact O-NZ 2.9Å; Q226-K265 PolarHBondContact NE2-O 3.27Å; S263-K265 PolarHBondContact O-N 3.12Å; S263-K265 PolarHBondContact OG-N 3.44Å; S263-K265 VanDerWaalsContact OG-N 3.17Å; S263-K265 PolarHBondContact OG-O 2.83Å
266P84.2Confident89.5Confident119 Ų11954 Ų5477%0.77329%0.291SS*.PPolyproline II helixtrans-62133.5170.227.7-33.4000109.3
267P87.6Confident89.4Confident16 Ų1657.3 Ų57.310%0.10431%0.308CS..PPolyproline II helixtrans-73.2169.9177.632.3-36.2000111.4L230 F260 P269 M272L230-P267 HydrophobicContact CD1-CB 3.46Å; L230-P267 VanDerWaalsContact CD1-CB 3.46Å; L230-P267 HydrophobicContact CD1-CG 4.13Å; F260-P267 HydrophobicContact CD1-CG 3.83Å; F260-P267 HydrophobicContact CE1-CG 3.75Å; P267-P269 WeakPolarHBondContact O-CD 3.49Å; P267-M272 HydrophobicContact CG-CE 3.61Å; P267-M272 HydrophobicContact CG-CG 3.93Å; P267-M272 HydrophobicContact CG-SD 3.77Å
268K88.5Confident89.4Confident114 Ų11456.7 Ų56.750%0.49630%0.304SS..PPolyproline II helixtrans-54.6122.2179-64174.3-176.4166.90110.7S227 Q270 L271 M272S227-K268 WeakPolarHBondContact OG-CD 3.38Å; S227-K268 WeakPolarHBondContact OG-CE 3.47Å; S227-K268 PolarHBondContact OG-NZ 3.08Å; K268-Q270 PolarHBondContact O-N 2.82Å; K268-Q270 VanDerWaalsContact O-N 3.11Å; K268-L271 HydrophobicContact CB-CD1 4.28Å; K268-L271 HydrophobicContact CB-CG 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.37Å; K268-L271 WeakPolarHBondContact O-CB 3.14Å; K268-L271 PolarHBondContact O-N 3.47Å; K268-M272 PolarHBondContact O-N 3.38Å
269P89.4Confident89.5Confident60 Ų6055.5 Ų55.539%0.3929%0.292SS..Hα-helixtrans-54.2-34.1-177.7-32.438.3000114.9P267 L271 M272 A273 L302 M306P267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-L271 VanDerWaalsContact C-N 3.3Å; P269-L271 PolarHBondContact O-N 3.2Å; P269-M272 CarbonylContact O-C 3.52Å; P269-M272 PolarHBondContact O-N 3.38Å; P269-M272 VanDerWaalsContact O-N 3.15Å; P269-A273 PolarHBondContact O-N 2.81Å; P269-L302 HydrophobicContact CB-CD1 4.07Å; P269-M306 HydrophobicContact CB-CB 4.14Å; P269-M306 HydrophobicContact CB-CG 3.99Å; P269-M306 HydrophobicContact CB-SD 3.77Å
270Q89.3Confident89.6Confident77 Ų7755.2 Ų55.236%0.3629%0.29SS..Hα-helixtrans-64.1-31.6176.9-172.362.47200112.9K268 N274 M306K268-Q270 PolarHBondContact O-N 2.82Å; K268-Q270 VanDerWaalsContact O-N 3.11Å; Q270-N274 PolarHBondContact NE2-OD1 2.76Å; Q270-N274 PolarHBondContact O-N 3.31Å; Q270-N274 VanDerWaalsContact O-N 3.08Å; Q270-N274 PolarHBondContact O-OD1 3.2Å; Q270-M306 HydrophobicContact CB-SD 3.9Å; Q270-M306 PolarHBondContact N-SD 2.86Å; Q270-M306 VanDerWaalsContact N-SD 3.42Å
271L89.6Confident89.6Confident25 Ų2556 Ų5613%0.13130%0.298CS..Hα-helixtrans-72.7-37.6173.4-64.5179.8000111.4L230 E231 L234 K268 P269 N274 Y275L230-L271 HydrophobicContact CB-CD1 4.33Å; E231-L271 HydrophobicContact CG-CD1 4.13Å; E231-L271 HydrophobicContact CG-CD2 3.79Å; L234-L271 HydrophobicContact CD1-CB 4.2Å; L234-L271 HydrophobicContact CD1-CD2 4.1Å; K268-L271 HydrophobicContact CB-CD1 4.28Å; K268-L271 HydrophobicContact CB-CG 4.24Å; K268-L271 HydrophobicContact CD-CD1 4.37Å; K268-L271 WeakPolarHBondContact O-CB 3.14Å; K268-L271 PolarHBondContact O-N 3.47Å; P269-L271 VanDerWaalsContact C-N 3.3Å; P269-L271 PolarHBondContact O-N 3.2Å; L271-N274 PolarHBondContact O-N 3.32Å; L271-Y275 WeakPolarHBondContact O-CB 3.18Å; L271-Y275 PolarHBondContact O-N 3.02Å
272M89.8Confident89.7Confident35 Ų3552.8 Ų52.817%0.17227%0.27CS..Hα-helixtrans-67.4-34172.7-82.1-178.8148.800112.6F260 P267 K268 P269 Y275 Y276 L302F260-M272 HydrophobicContact CD1-CE 4.07Å; F260-M272 HydrophobicContact CD2-CE 3.98Å; F260-M272 HydrophobicContact CE1-CE 3.97Å; F260-M272 HydrophobicContact CE1-CG 4.22Å; F260-M272 HydrophobicContact CE2-CE 3.88Å; F260-M272 HydrophobicContact CG-CE 4.08Å; F260-M272 HydrophobicContact CZ-CE 3.88Å; F260-M272 HydrophobicContact CZ-CG 3.9Å; P267-M272 HydrophobicContact CG-CE 3.61Å; P267-M272 HydrophobicContact CG-CG 3.93Å; P267-M272 HydrophobicContact CG-SD 3.77Å; K268-M272 PolarHBondContact O-N 3.38Å; P269-M272 CarbonylContact O-C 3.52Å; P269-M272 PolarHBondContact O-N 3.38Å; P269-M272 VanDerWaalsContact O-N 3.15Å; M272-Y275 WeakPolarHBondContact O-CB 3.09Å; M272-Y275 PolarHBondContact O-N 2.86Å; M272-Y276 HydrophobicContact CB-CE2 4.35Å; M272-Y276 WeakPolarHBondContact O-CD2 3.29Å; M272-Y276 PolarHBondContact O-N 2.71Å; M272-L302 HydrophobicContact CB-CD2 3.5Å
273A90.9Very high89.8Confident8 Ų850 Ų507%0.06626%0.255CS..Hα-helixtrans-65.1-46172.800000111.1P269 Y275 Y276 N277 L299 L302 M306P269-A273 PolarHBondContact O-N 2.81Å; A273-Y275 VanDerWaalsContact C-N 3.31Å; A273-Y275 PolarHBondContact O-N 3.07Å; A273-Y276 PolarHBondContact O-N 3.23Å; A273-N277 WeakPolarHBondContact O-CB 3.45Å; A273-N277 PolarHBondContact O-N 3.16Å; A273-L299 HydrophobicContact CB-CD1 3.82Å; A273-L299 WeakPolarHBondContact O-CD1 3.47Å; A273-L302 HydrophobicContact CB-CD2 4.2Å; A273-M306 HydrophobicContact CB-CE 4.36Å
274N90.8Very high90.2Very high68 Ų6851.5 Ų51.536%0.36426%0.259SS..Hα-helixtrans-61.8-38.9174.8-66.511.2000111.6Q270 L271 K278Q270-N274 PolarHBondContact NE2-OD1 2.76Å; Q270-N274 PolarHBondContact O-N 3.31Å; Q270-N274 VanDerWaalsContact O-N 3.08Å; Q270-N274 PolarHBondContact O-OD1 3.2Å; L271-N274 PolarHBondContact O-N 3.32Å; N274-K278 WeakPolarHBondContact O-CD 3.27Å; N274-K278 VanDerWaalsContact O-CG 3.24Å; N274-K278 WeakPolarHBondContact O-CG 3.36Å; N274-K278 PolarHBondContact O-N 3.28Å
275Y93.4Very high90.5Very high4 Ų449 Ų492%0.01625%0.248CC..Hα-helixtrans-58.9-58.2172170.4-109.8000111.9L234 V253 I256 F260 L271 M272 A273 N277 K278 V279L234-Y275 HydrophobicContact CD2-CD2 4.46Å; V253-Y275 HydrophobicContact CG1-CE2 4.35Å; I256-Y275 HydrophobicContact CB-CD2 4.37Å; I256-Y275 HydrophobicContact CB-CE2 3.93Å; I256-Y275 HydrophobicContact CD1-CD2 3.92Å; I256-Y275 HydrophobicContact CD1-CE2 4.04Å; I256-Y275 HydrophobicContact CG2-CD2 3.65Å; I256-Y275 HydrophobicContact CG2-CE2 3.47Å; I256-Y275 VanDerWaalsContact CG2-CE2 3.47Å; I256-Y275 HydrophobicContact CG2-CG 4.37Å; F260-Y275 AromaticContact CE2-CD1 3.99Å; F260-Y275 HydrophobicContact CE2-CD1 3.99Å; F260-Y275 AromaticContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CE2-CE1 3.78Å; F260-Y275 HydrophobicContact CZ-CD1 4.18Å; F260-Y275 HydrophobicContact CZ-CE1 4.4Å; F260-Y275 HydrophobicContact CZ-CG 4.34Å; L271-Y275 WeakPolarHBondContact O-CB 3.18Å; L271-Y275 PolarHBondContact O-N 3.02Å; M272-Y275 WeakPolarHBondContact O-CB 3.09Å; M272-Y275 PolarHBondContact O-N 2.86Å; A273-Y275 VanDerWaalsContact C-N 3.31Å; A273-Y275 PolarHBondContact O-N 3.07Å; Y275-N277 VanDerWaalsContact C-N 3.26Å; Y275-N277 PolarHBondContact O-N 3.48Å; Y275-K278 PolarHBondContact O-N 3.23Å; Y275-K278 VanDerWaalsContact O-N 3.13Å; Y275-V279 HydrophobicContact CD2-CG2 3.72Å; Y275-V279 HydrophobicContact CE1-CG2 4.36Å; Y275-V279 HydrophobicContact CE2-CG2 3.49Å; Y275-V279 VanDerWaalsContact CE2-CG2 3.49Å; Y275-V279 HydrophobicContact CG-CG2 4.27Å; Y275-V279 WeakPolarHBondContact O-CG2 2.82Å; Y275-V279 PolarHBondContact O-N 2.85Å
276Y93.7Very high90.5Very high28 Ų2847 Ų4711%0.1125%0.248CC..Hα-helixtrans-62.3-32.3-176.7-69.7-55.5000112.9M272 A273 S280 R298 L302M272-Y276 HydrophobicContact CB-CE2 4.35Å; M272-Y276 WeakPolarHBondContact O-CD2 3.29Å; M272-Y276 PolarHBondContact O-N 2.71Å; A273-Y276 PolarHBondContact O-N 3.23Å; Y276-S280 WeakPolarHBondContact O-CB 3.03Å; Y276-S280 PolarHBondContact O-N 3.15Å; Y276-R298 HydrophobicContact CD1-CB 4.15Å; Y276-R298 HydrophobicContact CD2-CB 4.27Å; Y276-R298 HydrophobicContact CE1-CB 4.07Å; Y276-R298 HydrophobicContact CE1-CG 4.38Å; Y276-R298 HydrophobicContact CE2-CB 4.2Å; Y276-R298 HydrophobicContact CG-CB 4.26Å; Y276-L302 HydrophobicContact CD2-CD2 3.95Å; Y276-L302 HydrophobicContact CE2-CD2 4.05Å
277N91.9Very high90.6Very high69 Ų6943.5 Ų43.537%0.36923%0.233SC..Hα-helixtrans-61.3-51.8173-167.69.5000111.5A273 Y275 V279 S280 T281 L299A273-N277 WeakPolarHBondContact O-CB 3.45Å; A273-N277 PolarHBondContact O-N 3.16Å; Y275-N277 VanDerWaalsContact C-N 3.26Å; Y275-N277 PolarHBondContact O-N 3.48Å; N277-V279 PolarHBondContact O-N 3.1Å; N277-S280 WeakPolarHBondContact O-CB 3.4Å; N277-S280 PolarHBondContact O-N 2.92Å; N277-S280 VanDerWaalsContact O-N 3.14Å; N277-S280 PolarHBondContact O-OG 3.46Å; N277-T281 PolarHBondContact O-N 3.22Å; N277-L299 HydrophobicContact CB-CD2 4.23Å
278K92.3Very high90.7Very high35 Ų3543.3 Ų43.315%0.15223%0.231CC..Hα-helixtrans-62.5-42177.7-64.7164.4-177.1-150.30112.8L234 L237 D238 I241 N274 Y275 S280 T281 V282L234-K278 HydrophobicContact CD2-CD 3.89Å; L234-K278 PolarHBondContact O-NZ 3.19Å; L237-K278 HydrophobicContact CD2-CB 3.78Å; L237-K278 HydrophobicContact CD2-CD 4.26Å; L237-K278 HydrophobicContact CG-CB 4.36Å; D238-K278 WeakPolarHBondContact OD1-CD 3.41Å; D238-K278 WeakPolarHBondContact OD1-CE 3.16Å; D238-K278 IonicContact OD1-NZ 3.43Å; D238-K278 PolarHBondContact OD1-NZ 3.06Å; D238-K278 IonicContact OD2-NZ 2.78Å; D238-K278 PolarHBondContact OD2-NZ 3.41Å; I241-K278 HydrophobicContact CD1-CB 4.44Å; N274-K278 WeakPolarHBondContact O-CD 3.27Å; N274-K278 VanDerWaalsContact O-CG 3.24Å; N274-K278 WeakPolarHBondContact O-CG 3.36Å; N274-K278 PolarHBondContact O-N 3.28Å; Y275-K278 PolarHBondContact O-N 3.23Å; Y275-K278 VanDerWaalsContact O-N 3.13Å; K278-S280 VanDerWaalsContact C-N 3.25Å; K278-S280 PolarHBondContact O-N 2.75Å; K278-T281 PolarHBondContact O-N 3.29Å; K278-T281 PolarHBondContact O-OG1 3.5Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.22Å; K278-V282 VanDerWaalsContact O-N 3.09Å
279V93.6Very high90.8Very high3 Ų337.9 Ų37.92%0.01821%0.208CC..Hα-helixtrans-67.4-30.1177.2-178.10000110.9L237 V253 Y275 N277 V282 F283 T295L237-V279 HydrophobicContact CD2-CG2 4.2Å; V253-V279 HydrophobicContact CG1-CG2 4.41Å; V253-V279 HydrophobicContact CG2-CG2 3.71Å; Y275-V279 HydrophobicContact CD2-CG2 3.72Å; Y275-V279 HydrophobicContact CE1-CG2 4.36Å; Y275-V279 HydrophobicContact CE2-CG2 3.49Å; Y275-V279 VanDerWaalsContact CE2-CG2 3.49Å; Y275-V279 HydrophobicContact CG-CG2 4.27Å; Y275-V279 WeakPolarHBondContact O-CG2 2.82Å; Y275-V279 PolarHBondContact O-N 2.85Å; N277-V279 PolarHBondContact O-N 3.1Å; V279-V282 PolarHBondContact O-N 3.11Å; V279-F283 HydrophobicContact CG1-CD2 3.71Å; V279-F283 HydrophobicContact CG1-CE2 3.31Å; V279-F283 HydrophobicContact CG1-CZ 4.07Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.22Å; V279-F283 PolarHBondContact O-N 2.99Å; V279-T295 HydrophobicContact CB-CG2 4.37Å; V279-T295 HydrophobicContact CG1-CG2 3.94Å
280S93.3Very high91Very high0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-63.1-40.4171.488.10000112.3Y276 N277 K278 F283 W284 H292 T295Y276-S280 WeakPolarHBondContact O-CB 3.03Å; Y276-S280 PolarHBondContact O-N 3.15Å; N277-S280 WeakPolarHBondContact O-CB 3.4Å; N277-S280 PolarHBondContact O-N 2.92Å; N277-S280 VanDerWaalsContact O-N 3.14Å; N277-S280 PolarHBondContact O-OG 3.46Å; K278-S280 VanDerWaalsContact C-N 3.25Å; K278-S280 PolarHBondContact O-N 2.75Å; S280-F283 PolarHBondContact O-N 3.5Å; S280-W284 WeakPolarHBondContact O-CB 3.25Å; S280-W284 PolarHBondContact O-N 3.3Å; S280-H292 PolarHBondContact O-ND1 2.84Å; S280-T295 VanDerWaalsContact CA-OG1 3.25Å; S280-T295 WeakPolarHBondContact CA-OG1 3.39Å; S280-T295 WeakPolarHBondContact CB-OG1 3.36Å
281T90.1Very high91.2Very high54 Ų5432.8 Ų32.833%0.33118%0.179SC..Hα-helixtrans-71.2-35.2177.965.40000111.8N277 K278 W284 K285N277-T281 PolarHBondContact O-N 3.22Å; K278-T281 PolarHBondContact O-N 3.29Å; K278-T281 PolarHBondContact O-OG1 3.5Å; T281-W284 PolarHBondContact O-N 2.8Å; T281-K285 WeakPolarHBondContact O-CB 3.07Å; T281-K285 WeakPolarHBondContact O-CG 3.41Å; T281-K285 PolarHBondContact O-N 3.24Å
282V91.7Very high91.4Very high13 Ų1331.6 Ų31.68%0.07917%0.173CC..Hα-helixtrans-61-47.6171.4174.60000111.7L237 I241 W246 A249 K278 V279 W284 K285 S286L237-V282 HydrophobicContact CD1-CG2 4.3Å; I241-V282 HydrophobicContact CD1-CG2 3.59Å; I241-V282 HydrophobicContact CG1-CG2 3.75Å; W246-V282 HydrophobicContact CZ3-CG2 4.4Å; A249-V282 HydrophobicContact CB-CG2 4.46Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.22Å; K278-V282 VanDerWaalsContact O-N 3.09Å; V279-V282 PolarHBondContact O-N 3.11Å; V282-W284 VanDerWaalsContact C-N 3.32Å; V282-W284 PolarHBondContact O-N 2.75Å; V282-K285 PolarHBondContact O-N 2.83Å; V282-S286 WeakPolarHBondContact O-CB 3.43Å; V282-S286 PolarHBondContact O-N 3.18Å; V282-S286 PolarHBondContact O-OG 2.98Å
283F92.3Very high91.7Very high10 Ų1030 Ų304%0.04417%0.165CC..Hα-helixtrans-67.4-32.6177.7-73.9-49.6000113.3V279 S280 S286 G287 N288 F291 H292 T295 L355 L359V279-F283 HydrophobicContact CG1-CD2 3.71Å; V279-F283 HydrophobicContact CG1-CE2 3.31Å; V279-F283 HydrophobicContact CG1-CZ 4.07Å; V279-F283 VanDerWaalsContact O-CD2 3.29Å; V279-F283 WeakPolarHBondContact O-CD2 3.22Å; V279-F283 PolarHBondContact O-N 2.99Å; S280-F283 PolarHBondContact O-N 3.5Å; F283-S286 WeakPolarHBondContact CA-OG 3.49Å; F283-S286 PolarHBondContact O-OG 2.84Å; F283-G287 PolarHBondContact O-N 2.88Å; F283-N288 HydrophobicContact CD1-CB 4.36Å; F283-N288 PolarHBondContact O-N 3.19Å; F283-F291 HydrophobicContact CB-CB 4.28Å; F283-F291 HydrophobicContact CD1-CB 3.74Å; F283-F291 HydrophobicContact CD2-CB 3.77Å; F283-F291 HydrophobicContact CE1-CB 3.96Å; F283-F291 HydrophobicContact CE1-CG 4.44Å; F283-F291 HydrophobicContact CE2-CB 3.96Å; F283-F291 HydrophobicContact CG-CB 3.67Å; F283-F291 HydrophobicContact CZ-CB 4.07Å; F283-H292 HydrophobicContact CB-CB 3.92Å; F283-T295 HydrophobicContact CD2-CG2 3.72Å; F283-T295 HydrophobicContact CE2-CG2 3.74Å; F283-L355 HydrophobicContact CE1-CD1 4.09Å; F283-L355 HydrophobicContact CE1-CD2 3.93Å; F283-L355 HydrophobicContact CE1-CG 4.48Å; F283-L355 HydrophobicContact CZ-CD2 4.3Å; F283-L359 HydrophobicContact CE2-CD1 3.64Å; F283-L359 HydrophobicContact CE2-CD2 4.46Å; F283-L359 HydrophobicContact CE2-CG 4.29Å; F283-L359 HydrophobicContact CZ-CD1 3.7Å
284W91.8Very high91.9Very high43 Ų4329.9 Ų29.916%0.16316%0.164CC..Hα-helixtrans-65.3-49.8173.3-173.6-104.4000111.6S280 T281 V282 S286 G287 A289 H292 Q426 Y427 H430S280-W284 WeakPolarHBondContact O-CB 3.25Å; S280-W284 PolarHBondContact O-N 3.3Å; T281-W284 PolarHBondContact O-N 2.8Å; V282-W284 VanDerWaalsContact C-N 3.32Å; V282-W284 PolarHBondContact O-N 2.75Å; W284-S286 VanDerWaalsContact C-N 3.27Å; W284-S286 PolarHBondContact O-N 3.04Å; W284-G287 PolarHBondContact O-N 3.33Å; W284-A289 HydrophobicContact CZ3-CB 4.33Å; W284-H292 AromaticContact CE3-CD2 3.74Å; W284-H292 AromaticContact CE3-CG 3.95Å; W284-H292 AromaticContact CE3-NE2 3.98Å; W284-Q426 VanDerWaalsContact CD1-OE1 3.27Å; W284-Q426 HydrophobicContact CD2-CG 4.35Å; W284-Q426 HydrophobicContact CH2-CB 4.47Å; W284-Q426 HydrophobicContact CH2-CG 4.21Å; W284-Q426 WeakPolarHBondContact CH2-O 3.36Å; W284-Q426 HydrophobicContact CZ2-CB 3.56Å; W284-Q426 HydrophobicContact CZ2-CG 3.63Å; W284-Q426 WeakPolarHBondContact CZ2-O 3.48Å; W284-Q426 VanDerWaalsContact NE1-OE1 3.09Å; W284-Y427 HydrophobicContact CE3-CE1 4.36Å; W284-Y427 AromaticContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CE1 4.26Å; W284-Y427 AromaticContact CZ3-CD1 3.97Å; W284-Y427 HydrophobicContact CZ3-CD1 3.97Å; W284-Y427 AromaticContact CZ3-CE1 3.95Å; W284-Y427 HydrophobicContact CZ3-CE1 3.95Å; W284-H430 AromaticContact CH2-CE1 3.51Å; W284-H430 AromaticContact CH2-ND1 3.43Å; W284-H430 WeakPolarHBondContact CH2-ND1 3.35Å; W284-H430 AromaticContact CZ2-CE1 3.8Å; W284-H430 AromaticContact CZ2-ND1 3.93Å
285K88.8Confident92.1Very high145 Ų14526.7 Ų26.763%0.6315%0.147SC*.Hα-helixtrans-67.8-23.8179.2-69.3-76.1-174.8169.70113.2W246 T281 V282 G287W246-K285 HydrophobicContact CE3-CB 4.39Å; W246-K285 HydrophobicContact CH2-CB 3.56Å; W246-K285 HydrophobicContact CH2-CD 4.34Å; W246-K285 HydrophobicContact CH2-CG 3.67Å; W246-K285 HydrophobicContact CZ2-CB 3.97Å; W246-K285 HydrophobicContact CZ2-CD 4.5Å; W246-K285 HydrophobicContact CZ2-CG 4.22Å; W246-K285 HydrophobicContact CZ3-CB 3.78Å; W246-K285 HydrophobicContact CZ3-CG 4.23Å; T281-K285 WeakPolarHBondContact O-CB 3.07Å; T281-K285 WeakPolarHBondContact O-CG 3.41Å; T281-K285 PolarHBondContact O-N 3.24Å; V282-K285 PolarHBondContact O-N 2.83Å; K285-G287 VanDerWaalsContact C-N 3.28Å
286S86.7Confident92.1Very high62 Ų6226.6 Ų26.643%0.43415%0.147SC..THydrogen-bonded Turntrans-84.55.9169.776.20000114.3V282 F283 W284 N288V282-S286 WeakPolarHBondContact O-CB 3.43Å; V282-S286 PolarHBondContact O-N 3.18Å; V282-S286 PolarHBondContact O-OG 2.98Å; F283-S286 WeakPolarHBondContact CA-OG 3.49Å; F283-S286 PolarHBondContact O-OG 2.84Å; W284-S286 VanDerWaalsContact C-N 3.27Å; W284-S286 PolarHBondContact O-N 3.04Å; S286-N288 PolarHBondContact O-N 2.85Å; S286-N288 PolarHBondContact O-ND2 2.99Å
287G86.7Confident92.1Very high45 Ų4526.3 Ų26.346%0.46415%0.146SC..THydrogen-bonded Turntrans75-4.5-179.700000115.3F283 W284 K285 A289F283-G287 PolarHBondContact O-N 2.88Å; W284-G287 PolarHBondContact O-N 3.33Å; K285-G287 VanDerWaalsContact C-N 3.28Å; G287-A289 VanDerWaalsContact C-N 3.26Å; G287-A289 PolarHBondContact O-N 3.43Å
288N89.7Confident92.1Very high11 Ų1127.6 Ų27.66%0.05915%0.146CC..  trans-83.165.1-172-78.2-125.9000110.9F283 S286 L290 F291 H292 K351F283-N288 HydrophobicContact CD1-CB 4.36Å; F283-N288 PolarHBondContact O-N 3.19Å; S286-N288 PolarHBondContact O-N 2.85Å; S286-N288 PolarHBondContact O-ND2 2.99Å; N288-L290 PolarHBondContact O-N 3.21Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-F291 PolarHBondContact O-N 2.97Å; N288-H292 PolarHBondContact O-N 3.41Å; N288-H292 VanDerWaalsContact O-N 3.08Å; N288-K351 PolarHBondContact OD1-NZ 3.22Å
289A92Very high92.1Very high1 Ų127.1 Ų27.11%0.00815%0.145CC..Hα-helixtrans-53.5-33.1-175.500000113.8W284 G287 H292 A293W284-A289 HydrophobicContact CZ3-CB 4.33Å; G287-A289 VanDerWaalsContact C-N 3.26Å; G287-A289 PolarHBondContact O-N 3.43Å; A289-H292 WeakPolarHBondContact O-CB 3.46Å; A289-H292 PolarHBondContact O-N 3.32Å; A289-A293 WeakPolarHBondContact O-CB 3.5Å; A289-A293 PolarHBondContact O-N 2.91Å
290L92.6Very high92Very high28 Ų2827.2 Ų27.215%0.14715%0.145CC..Hα-helixtrans-58.9-46.7173.9175.561.2000113N288 C294 I329 P365 L370N288-L290 PolarHBondContact O-N 3.21Å; N288-L290 VanDerWaalsContact O-N 3.11Å; L290-C294 WeakPolarHBondContact O-CB 3.23Å; L290-C294 PolarHBondContact O-N 2.84Å; L290-C294 VanDerWaalsContact O-N 3.1Å; L290-I329 HydrophobicContact CB-CG2 4.12Å; L290-I329 HydrophobicContact CD1-CD1 4.15Å; L290-I329 HydrophobicContact CD1-CG2 4.19Å; L290-P365 HydrophobicContact CD1-CB 4.46Å; L290-P365 HydrophobicContact CD1-CG 4.45Å; L290-P365 HydrophobicContact CG-CG 4.35Å; L290-L370 HydrophobicContact CD1-CD1 3.96Å
291F93.6Very high91.8Very high1 Ų130.1 Ų30.10%0.00416%0.158CC..Hα-helixtrans-77.2-32178.8-77.2-78.5000112F283 N288 C294 T295 H352 L355 A356 L359 P365F283-F291 HydrophobicContact CB-CB 4.28Å; F283-F291 HydrophobicContact CD1-CB 3.74Å; F283-F291 HydrophobicContact CD2-CB 3.77Å; F283-F291 HydrophobicContact CE1-CB 3.96Å; F283-F291 HydrophobicContact CE1-CG 4.44Å; F283-F291 HydrophobicContact CE2-CB 3.96Å; F283-F291 HydrophobicContact CG-CB 3.67Å; F283-F291 HydrophobicContact CZ-CB 4.07Å; N288-F291 PolarHBondContact O-N 2.97Å; F291-C294 PolarHBondContact O-N 3.23Å; F291-T295 PolarHBondContact O-N 3.33Å; F291-T295 PolarHBondContact O-OG1 3.28Å; F291-H352 HydrophobicContact CE2-CB 4.19Å; F291-H352 AromaticContact CE2-CD2 3.82Å; F291-H352 AromaticContact CE2-CG 3.86Å; F291-H352 HydrophobicContact CZ-CB 4.04Å; F291-H352 WeakPolarHBondContact CZ-O 3.49Å; F291-L355 HydrophobicContact CD1-CB 4.02Å; F291-L355 HydrophobicContact CD2-CB 4.45Å; F291-L355 HydrophobicContact CD2-CD1 3.8Å; F291-L355 HydrophobicContact CE1-CB 3.63Å; F291-L355 HydrophobicContact CE2-CB 4.11Å; F291-L355 HydrophobicContact CE2-CD1 3.82Å; F291-L355 HydrophobicContact CG-CB 4.42Å; F291-L355 HydrophobicContact CG-CD1 4.25Å; F291-L355 HydrophobicContact CZ-CB 3.69Å; F291-L355 HydrophobicContact CZ-CD1 4.28Å; F291-A356 HydrophobicContact CE1-CB 4.23Å; F291-L359 HydrophobicContact CD1-CD1 3.88Å; F291-L359 HydrophobicContact CD1-CD2 4.24Å; F291-L359 HydrophobicContact CE1-CD1 4.44Å; F291-P365 HydrophobicContact CD1-CG 4.24Å; F291-P365 HydrophobicContact CE1-CG 3.88Å; F291-P365 HydrophobicContact CZ-CG 4.27Å
292H94.3Very high91.8Very high1 Ų128.8 Ų28.81%0.00515%0.149CC..Hα-helixtrans-56.3-54.6168.8170.382.5000111.3S280 F283 W284 N288 A289 C294 T295 L296 Y427S280-H292 PolarHBondContact O-ND1 2.84Å; F283-H292 HydrophobicContact CB-CB 3.92Å; W284-H292 AromaticContact CE3-CD2 3.74Å; W284-H292 AromaticContact CE3-CG 3.95Å; W284-H292 AromaticContact CE3-NE2 3.98Å; N288-H292 PolarHBondContact O-N 3.41Å; N288-H292 VanDerWaalsContact O-N 3.08Å; A289-H292 WeakPolarHBondContact O-CB 3.46Å; A289-H292 PolarHBondContact O-N 3.32Å; H292-C294 VanDerWaalsContact C-N 3.29Å; H292-C294 PolarHBondContact O-N 3.45Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 VanDerWaalsContact O-N 3.11Å; H292-T295 PolarHBondContact O-OG1 3Å; H292-L296 VanDerWaalsContact NE2-CD1 3.35Å; H292-L296 WeakPolarHBondContact NE2-CD1 3.44Å; H292-L296 PolarHBondContact O-N 2.86Å; H292-Y427 AromaticContact NE2-CE1 3.53Å; H292-Y427 AromaticContact NE2-CZ 3.79Å; H292-Y427 PolarHBondContact NE2-OH 3.16Å
293A95Very high91.6Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-58.8-39.6176.300000112.4A289 L296 H297 A325 T326 I329 L370A289-A293 WeakPolarHBondContact O-CB 3.5Å; A289-A293 PolarHBondContact O-N 2.91Å; A293-L296 PolarHBondContact O-N 3.41Å; A293-H297 PolarHBondContact O-CD2 3.17Å; A293-H297 PolarHBondContact O-N 3.46Å; A293-A325 HydrophobicContact CB-CB 4.3Å; A293-T326 HydrophobicContact CB-CG2 4.05Å; A293-I329 HydrophobicContact CB-CD1 3.75Å; A293-I329 HydrophobicContact CB-CG1 3.91Å; A293-L370 HydrophobicContact CB-CD1 4.15Å
294C94.9Very high91.3Very high7 Ų732.1 Ų32.15%0.04716%0.161CC..Hα-helixtrans-62.2-41.3174.7-167.90000112.8L290 F291 H292 L296 H297 R298 L359 P365 L370L290-C294 WeakPolarHBondContact O-CB 3.23Å; L290-C294 PolarHBondContact O-N 2.84Å; L290-C294 VanDerWaalsContact O-N 3.1Å; F291-C294 PolarHBondContact O-N 3.23Å; H292-C294 VanDerWaalsContact C-N 3.29Å; H292-C294 PolarHBondContact O-N 3.45Å; C294-L296 VanDerWaalsContact C-N 3.32Å; C294-L296 PolarHBondContact O-N 3.21Å; C294-H297 WeakPolarHBondContact O-CB 3.49Å; C294-H297 PolarHBondContact O-N 3.07Å; C294-R298 PolarHBondContact O-N 3.01Å; C294-L359 HydrophobicContact CB-CD2 3.88Å; C294-P365 HydrophobicContact CB-CB 4.38Å; C294-P365 HydrophobicContact CB-CG 4.08Å; C294-L370 HydrophobicContact CB-CD1 4.25Å; C294-L370 HydrophobicContact CB-CD2 4.26Å
295T95.1Very high91Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-64.6-34.5173.352.40000113V279 S280 F283 F291 H292 R298 L299 L359V279-T295 HydrophobicContact CB-CG2 4.37Å; V279-T295 HydrophobicContact CG1-CG2 3.94Å; S280-T295 VanDerWaalsContact CA-OG1 3.25Å; S280-T295 WeakPolarHBondContact CA-OG1 3.39Å; S280-T295 WeakPolarHBondContact CB-OG1 3.36Å; F283-T295 HydrophobicContact CD2-CG2 3.72Å; F283-T295 HydrophobicContact CE2-CG2 3.74Å; F291-T295 PolarHBondContact O-N 3.33Å; F291-T295 PolarHBondContact O-OG1 3.28Å; H292-T295 PolarHBondContact O-N 3.19Å; H292-T295 VanDerWaalsContact O-N 3.11Å; H292-T295 PolarHBondContact O-OG1 3Å; T295-R298 PolarHBondContact O-N 3.36Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 PolarHBondContact O-N 3.36Å; T295-L359 HydrophobicContact CG2-CD2 3.61Å; T295-L359 HydrophobicContact CG2-CG 4.02Å
296L94.4Very high90.6Very high3 Ų331.7 Ų31.72%0.01616%0.164CC..Hα-helixtrans-70.4-36175.7-65.7176.9000112.2H292 A293 C294 L299 Y300 R321 V322 A325H292-L296 VanDerWaalsContact NE2-CD1 3.35Å; H292-L296 WeakPolarHBondContact NE2-CD1 3.44Å; H292-L296 PolarHBondContact O-N 2.86Å; A293-L296 PolarHBondContact O-N 3.41Å; C294-L296 VanDerWaalsContact C-N 3.32Å; C294-L296 PolarHBondContact O-N 3.21Å; L296-L299 HydrophobicContact CD2-CD2 4.18Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-Y300 WeakPolarHBondContact O-CB 3.46Å; L296-Y300 PolarHBondContact O-N 2.85Å; L296-R321 HydrophobicContact CD1-CG 4.06Å; L296-V322 HydrophobicContact CB-CG2 4Å; L296-A325 HydrophobicContact CD1-CB 3.54Å
297H93.5Very high90.2Very high21 Ų2133.8 Ų33.810%0.09716%0.162CC..Hα-helixtrans-58.6-45.5168-88.7-121.6000112A293 C294 H301 T326 L370A293-H297 PolarHBondContact O-CD2 3.17Å; A293-H297 PolarHBondContact O-N 3.46Å; C294-H297 WeakPolarHBondContact O-CB 3.49Å; C294-H297 PolarHBondContact O-N 3.07Å; H297-H301 PolarHBondContact O-N 3.31Å; H297-H301 VanDerWaalsContact O-N 3.08Å; H297-T326 WeakPolarHBondContact NE2-CG2 3.36Å; H297-L370 PolarHBondContact CE1-O 3.24Å
298R92.1Very high89.6Confident97 Ų9740.9 Ų40.937%0.36618%0.18SC..Hα-helixtrans-62.2-44.5175.6-71.5-57.5-152.2-173.46.5112Y276 C294 T295 H301 L302 G360Y276-R298 HydrophobicContact CD1-CB 4.15Å; Y276-R298 HydrophobicContact CD2-CB 4.27Å; Y276-R298 HydrophobicContact CE1-CB 4.07Å; Y276-R298 HydrophobicContact CE1-CG 4.38Å; Y276-R298 HydrophobicContact CE2-CB 4.2Å; Y276-R298 HydrophobicContact CG-CB 4.26Å; C294-R298 PolarHBondContact O-N 3.01Å; T295-R298 PolarHBondContact O-N 3.36Å; R298-H301 PolarHBondContact O-N 3.37Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 3.4Å; R298-G360 PolarHBondContact NH2-O 3.44Å
299L92.6Very high88.7Confident24 Ų2447.9 Ų47.913%0.12622%0.218CC..Hα-helixtrans-61.7-46.2178.418058.8000112A273 N277 T295 L296 L302 S303A273-L299 HydrophobicContact CB-CD1 3.82Å; A273-L299 WeakPolarHBondContact O-CD1 3.47Å; N277-L299 HydrophobicContact CB-CD2 4.23Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 PolarHBondContact O-N 3.36Å; L296-L299 HydrophobicContact CD2-CD2 4.18Å; L296-L299 PolarHBondContact O-N 2.99Å; L299-L302 PolarHBondContact O-N 2.95Å; L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.94Å; L299-S303 PolarHBondContact O-OG 2.71Å; L299-S303 VanDerWaalsContact O-OG 3.14Å
300Y91.4Very high88Confident6 Ų649.3 Ų49.32%0.02423%0.225CC..Hα-helixtrans-64.4-41.1178.5173.6-99.9000112.8L296 S303 R304 M315 M318 V322 L379L296-Y300 WeakPolarHBondContact O-CB 3.46Å; L296-Y300 PolarHBondContact O-N 2.85Å; Y300-S303 PolarHBondContact O-OG 2.87Å; Y300-R304 VanDerWaalsContact O-CB 3.32Å; Y300-R304 WeakPolarHBondContact O-CB 3.34Å; Y300-R304 PolarHBondContact O-N 3.2Å; Y300-M315 HydrophobicContact CE2-SD 3.66Å; Y300-M318 HydrophobicContact CD2-CB 4.17Å; Y300-V322 HydrophobicContact CG-CG2 4.45Å; Y300-L379 HydrophobicContact CD1-CD1 4.05Å; Y300-L379 HydrophobicContact CD1-CD2 4.07Å; Y300-L379 HydrophobicContact CD1-CG 4.2Å; Y300-L379 HydrophobicContact CD2-CD2 4.17Å; Y300-L379 HydrophobicContact CE1-CD1 3.86Å; Y300-L379 HydrophobicContact CE1-CD2 3.61Å; Y300-L379 HydrophobicContact CE1-CG 3.57Å; Y300-L379 HydrophobicContact CE2-CD2 3.73Å; Y300-L379 HydrophobicContact CG-CD2 4.33Å; Y300-L379 VanDerWaalsContact CZ-CD2 3.42Å
301H89Confident87.7Confident60 Ų6051.5 Ų51.528%0.27824%0.24SC..Hα-helixtrans-62.6-49.3175.4-160.2-79.1000110.9H297 R298 R304 E305H297-H301 PolarHBondContact O-N 3.31Å; H297-H301 VanDerWaalsContact O-N 3.08Å; R298-H301 PolarHBondContact O-N 3.37Å; H301-R304 PolarHBondContact O-N 2.88Å; H301-E305 IonicContact CE1-OE1 3.92Å; H301-E305 PolarHBondContact CE1-OE1 3.24Å; H301-E305 VanDerWaalsContact CE1-OE1 3.24Å; H301-E305 IonicContact CE1-OE2 3.83Å; H301-E305 PolarHBondContact CE1-OE2 3.03Å; H301-E305 IonicContact CG-OE2 3.19Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 IonicContact ND1-OE2 2.76Å; H301-E305 PolarHBondContact ND1-OE2 2.59Å; H301-E305 WeakPolarHBondContact O-CG 3.41Å; H301-E305 PolarHBondContact O-N 3.13Å
302L90.2Very high87.4Confident26 Ų2656.2 Ų56.214%0.13626%0.262CS..Hα-helixtrans-64-40.6-178.8-177.570.7000113.1P269 M272 A273 Y276 R298 L299 E305 M306P269-L302 HydrophobicContact CB-CD1 4.07Å; M272-L302 HydrophobicContact CB-CD2 3.5Å; A273-L302 HydrophobicContact CB-CD2 4.2Å; Y276-L302 HydrophobicContact CD2-CD2 3.95Å; Y276-L302 HydrophobicContact CE2-CD2 4.05Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 3.4Å; L299-L302 PolarHBondContact O-N 2.95Å; L302-E305 PolarHBondContact O-N 3.24Å; L302-M306 WeakPolarHBondContact O-CB 3.48Å; L302-M306 PolarHBondContact O-N 3.42Å
303S88.1Confident87Confident8 Ų861 Ų616%0.05629%0.287CS..Hα-helixtrans-67.9-40.5179.262.80000111.7L299 Y300 M306 R307 M318L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.94Å; L299-S303 PolarHBondContact O-OG 2.71Å; L299-S303 VanDerWaalsContact O-OG 3.14Å; Y300-S303 PolarHBondContact O-OG 2.87Å; S303-M306 PolarHBondContact O-N 3.36Å; S303-R307 PolarHBondContact O-N 2.62Å; S303-M318 VanDerWaalsContact OG-CE 3.25Å; S303-M318 WeakPolarHBondContact OG-CE 3.1Å; S303-M318 PolarHBondContact OG-SD 3.37Å
304R85.8Confident86.6Confident86 Ų8664.8 Ų64.833%0.32531%0.305SS..Hα-helixtrans-64-36.8174-172.1-178.967.8177.8-1.1112.9Y300 H301 M315Y300-R304 VanDerWaalsContact O-CB 3.32Å; Y300-R304 WeakPolarHBondContact O-CB 3.34Å; Y300-R304 PolarHBondContact O-N 3.2Å; H301-R304 PolarHBondContact O-N 2.88Å; R304-M315 HydrophobicContact CG-CE 4.35Å
305E84.6Confident86.3Confident123 Ų12365.5 Ų65.558%0.57531%0.308SS*.Hα-helixtrans-72.8-37.6173.6-72.7175.5127.600112.6H301 L302H301-E305 IonicContact CE1-OE1 3.92Å; H301-E305 PolarHBondContact CE1-OE1 3.24Å; H301-E305 VanDerWaalsContact CE1-OE1 3.24Å; H301-E305 IonicContact CE1-OE2 3.83Å; H301-E305 PolarHBondContact CE1-OE2 3.03Å; H301-E305 IonicContact CG-OE2 3.19Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 IonicContact ND1-OE2 2.76Å; H301-E305 PolarHBondContact ND1-OE2 2.59Å; H301-E305 WeakPolarHBondContact O-CG 3.41Å; H301-E305 PolarHBondContact O-N 3.13Å; L302-E305 PolarHBondContact O-N 3.24Å
306M81.5Confident86.1Confident56 Ų5668.3 Ų68.328%0.27632%0.321SS..Hα-helixtrans-72.1-40.2-177.8178.9177.557.100113.3P269 Q270 A273 L302 S303P269-M306 HydrophobicContact CB-CB 4.14Å; P269-M306 HydrophobicContact CB-CG 3.99Å; P269-M306 HydrophobicContact CB-SD 3.77Å; Q270-M306 HydrophobicContact CB-SD 3.9Å; Q270-M306 PolarHBondContact N-SD 2.86Å; Q270-M306 VanDerWaalsContact N-SD 3.42Å; A273-M306 HydrophobicContact CB-CE 4.36Å; L302-M306 WeakPolarHBondContact O-CB 3.48Å; L302-M306 PolarHBondContact O-N 3.42Å; S303-M306 PolarHBondContact O-N 3.36Å
307R77.2Confident85.8Confident105 Ų10574 Ų7440%0.39634%0.343SS..  trans-121.694.6-171.2-65.7-178.5-176.8-175.63.5111.3S303 N309 L310 E314S303-R307 PolarHBondContact O-N 2.62Å; R307-N309 PolarHBondContact O-N 2.88Å; R307-L310 HydrophobicContact CB-CD1 3.67Å; R307-L310 VanDerWaalsContact CD-CD1 3.47Å; R307-L310 HydrophobicContact CG-CD1 4.2Å; R307-L310 PolarHBondContact O-N 3.39Å; R307-E314 IonicContact NH1-OE2 2.7Å; R307-E314 PolarHBondContact NH1-OE2 2.81Å
308K73.3Confident85.6Confident194 Ų19475.1 Ų75.184%0.84335%0.348SS*.THydrogen-bonded Turntrans-62.6-25.2174.8-64.5-175178.5-177.90113.8
309N72.1Confident85.6Confident158 Ų15870.5 Ų70.585%0.84533%0.331SS*.THydrogen-bonded Turntrans-111.647.1-179.2-58.618000110.4R307R307-N309 PolarHBondContact O-N 2.88Å
310L77.9Confident85.6Confident31 Ų3169.7 Ų69.716%0.16233%0.327CS..  trans-67.9146.8173.2-151.487.5000110.2R307 E314 M315 M318R307-L310 HydrophobicContact CB-CD1 3.67Å; R307-L310 VanDerWaalsContact CD-CD1 3.47Å; R307-L310 HydrophobicContact CG-CD1 4.2Å; R307-L310 PolarHBondContact O-N 3.39Å; L310-E314 VanDerWaalsContact CD1-OE2 3.28Å; L310-E314 WeakPolarHBondContact CD1-OE2 3.39Å; L310-E314 HydrophobicContact CD2-CB 3.84Å; L310-E314 HydrophobicContact CG-CB 3.97Å; L310-M315 HydrophobicContact CB-CE 4.04Å; L310-M315 HydrophobicContact CD2-CB 3.96Å; L310-M315 HydrophobicContact CD2-CE 3.6Å; L310-M315 HydrophobicContact CD2-SD 3.9Å; L310-M315 HydrophobicContact CG-CE 4.45Å; L310-M318 HydrophobicContact CD2-CE 3.37Å
311T85.8Confident85.7Confident74 Ų7471.1 Ų71.145%0.45433%0.332SS..  trans-71.7149.7172.667.10000110.3D313 E314 M315T311-D313 PolarHBondContact O-N 3.42Å; T311-E314 PolarHBondContact O-N 3.38Å; T311-E314 VanDerWaalsContact OG1-CB 3.31Å; T311-E314 WeakPolarHBondContact OG1-CB 3.36Å; T311-E314 VanDerWaalsContact OG1-CG 3.28Å; T311-E314 WeakPolarHBondContact OG1-CG 3.13Å; T311-E314 PolarHBondContact OG1-N 2.91Å; T311-E314 VanDerWaalsContact OG1-N 3.1Å; T311-M315 PolarHBondContact O-N 2.73Å
312Q85.9Confident86Confident100 Ų10068.4 Ų68.447%0.46732%0.32SS..Hα-helixtrans-61.6-36.8177.8-174.366.6-3.300111M315 Q316Q312-M315 WeakPolarHBondContact O-CB 3.49Å; Q312-M315 PolarHBondContact O-N 3.22Å; Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3.04Å
313D86.9Confident86.1Confident101 Ų10167.2 Ų67.254%0.5431%0.314SS..Hα-helixtrans-64.8-44.8176.1-62.935000112.6T311 M315 Q316 R317T311-D313 PolarHBondContact O-N 3.42Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.5Å; D313-Q316 PolarHBondContact O-N 3.08Å; D313-R317 VanDerWaalsContact O-CG 3.24Å; D313-R317 WeakPolarHBondContact O-CG 3.1Å; D313-R317 PolarHBondContact O-N 2.83Å
314E87.3Confident86.4Confident80 Ų8066.9 Ų66.937%0.37431%0.311SS..Hα-helixtrans-62-41.5172.7-79.5-177.6-17800110.8R307 L310 T311 Q316 M318R307-E314 IonicContact NH1-OE2 2.7Å; R307-E314 PolarHBondContact NH1-OE2 2.81Å; L310-E314 VanDerWaalsContact CD1-OE2 3.28Å; L310-E314 WeakPolarHBondContact CD1-OE2 3.39Å; L310-E314 HydrophobicContact CD2-CB 3.84Å; L310-E314 HydrophobicContact CG-CB 3.97Å; T311-E314 PolarHBondContact O-N 3.38Å; T311-E314 VanDerWaalsContact OG1-CB 3.31Å; T311-E314 WeakPolarHBondContact OG1-CB 3.36Å; T311-E314 VanDerWaalsContact OG1-CG 3.28Å; T311-E314 WeakPolarHBondContact OG1-CG 3.13Å; T311-E314 PolarHBondContact OG1-N 2.91Å; T311-E314 VanDerWaalsContact OG1-N 3.1Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 2.83Å; E314-M318 WeakPolarHBondContact O-CG 3.25Å; E314-M318 PolarHBondContact O-N 3.15Å
315M88.2Confident86.9Confident22 Ų2262.9 Ų62.911%0.10830%0.296CS..Hα-helixtrans-62.1-44.1176.6-162.565.177.900110.6Y300 R304 L310 T311 Q312 D313 M318 S319 Y382Y300-M315 HydrophobicContact CE2-SD 3.66Å; R304-M315 HydrophobicContact CG-CE 4.35Å; L310-M315 HydrophobicContact CB-CE 4.04Å; L310-M315 HydrophobicContact CD2-CB 3.96Å; L310-M315 HydrophobicContact CD2-CE 3.6Å; L310-M315 HydrophobicContact CD2-SD 3.9Å; L310-M315 HydrophobicContact CG-CE 4.45Å; T311-M315 PolarHBondContact O-N 2.73Å; Q312-M315 WeakPolarHBondContact O-CB 3.49Å; Q312-M315 PolarHBondContact O-N 3.22Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.5Å; M315-M318 PolarHBondContact O-N 3.35Å; M315-M318 HydrophobicContact SD-CE 4.24Å; M315-S319 VanDerWaalsContact O-CB 3.25Å; M315-S319 WeakPolarHBondContact O-CB 3.42Å; M315-S319 PolarHBondContact O-N 2.68Å; M315-S319 PolarHBondContact O-OG 3.01Å; M315-Y382 HydrophobicContact CG-CD1 3.81Å; M315-Y382 HydrophobicContact CG-CG 4.04Å
316Q90.4Very high87.3Confident60 Ų6057 Ų5728%0.2827%0.269SS..Hα-helixtrans-61.9-50.6178.7-81.2179.6100111.9Q312 D313 E314 M318 S319 T320 Y382 V384Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3.04Å; D313-Q316 PolarHBondContact O-N 3.08Å; E314-Q316 VanDerWaalsContact C-N 3.33Å; E314-Q316 PolarHBondContact O-N 2.83Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; Q316-M318 PolarHBondContact O-N 2.64Å; Q316-S319 PolarHBondContact O-N 3.46Å; Q316-S319 VanDerWaalsContact O-N 3.11Å; Q316-T320 WeakPolarHBondContact O-CG2 3.39Å; Q316-T320 PolarHBondContact O-N 3.43Å; Q316-T320 PolarHBondContact O-OG1 2.91Å; Q316-T320 VanDerWaalsContact O-OG1 3.11Å; Q316-Y382 WeakPolarHBondContact CA-O 3.37Å; Q316-Y382 VanDerWaalsContact CG-O 3.3Å; Q316-Y382 WeakPolarHBondContact CG-O 3.28Å; Q316-V384 HydrophobicContact CB-CG2 4.01Å; Q316-V384 HydrophobicContact CG-CG2 4.31Å
317R88.8Confident87.9Confident123 Ų12354.3 Ų54.346%0.46426%0.256SS..Hα-helixtrans-59-42.3177.8-66.5167.8-173.3-118.611.8112.4D313 T320 R321 E421D313-R317 VanDerWaalsContact O-CG 3.24Å; D313-R317 WeakPolarHBondContact O-CG 3.1Å; D313-R317 PolarHBondContact O-N 2.83Å; R317-T320 PolarHBondContact O-OG1 2.76Å; R317-T320 VanDerWaalsContact O-OG1 3.1Å; R317-R321 VanDerWaalsContact O-CB 3.24Å; R317-R321 WeakPolarHBondContact O-CB 3.32Å; R317-R321 PolarHBondContact O-N 3.37Å; R317-R321 VanDerWaalsContact O-N 3.1Å; R317-E421 WeakPolarHBondContact CD-OE1 3.21Å; R317-E421 VanDerWaalsContact CG-OE1 3.22Å; R317-E421 WeakPolarHBondContact CG-OE1 3.13Å; R317-E421 IonicContact CZ-OE1 2.73Å; R317-E421 IonicContact NE-OE1 3.96Å; R317-E421 IonicContact NH1-OE1 3.22Å; R317-E421 PolarHBondContact NH1-OE1 2.93Å
318M89.2Confident88.7Confident43 Ų4349.3 Ų49.321%0.21224%0.237CC..Hα-helixtrans-67.1-39.8174.2-70.7-168.5-56.900112.4Y300 S303 L310 E314 M315 Q316 R321 V322Y300-M318 HydrophobicContact CD2-CB 4.17Å; S303-M318 VanDerWaalsContact OG-CE 3.25Å; S303-M318 WeakPolarHBondContact OG-CE 3.1Å; S303-M318 PolarHBondContact OG-SD 3.37Å; L310-M318 HydrophobicContact CD2-CE 3.37Å; E314-M318 WeakPolarHBondContact O-CG 3.25Å; E314-M318 PolarHBondContact O-N 3.15Å; M315-M318 PolarHBondContact O-N 3.35Å; M315-M318 HydrophobicContact SD-CE 4.24Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; Q316-M318 PolarHBondContact O-N 2.64Å; M318-R321 PolarHBondContact O-N 3.24Å; M318-V322 WeakPolarHBondContact O-CB 3.18Å; M318-V322 VanDerWaalsContact O-CG2 3.27Å; M318-V322 WeakPolarHBondContact O-CG2 3.4Å; M318-V322 PolarHBondContact O-N 2.83Å
319S91.9Very high89.6Confident0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-70.3-40.9-177.1-58.40000112M315 Q316 V322 L323 Y382M315-S319 VanDerWaalsContact O-CB 3.25Å; M315-S319 WeakPolarHBondContact O-CB 3.42Å; M315-S319 PolarHBondContact O-N 2.68Å; M315-S319 PolarHBondContact O-OG 3.01Å; Q316-S319 PolarHBondContact O-N 3.46Å; Q316-S319 VanDerWaalsContact O-N 3.11Å; S319-V322 PolarHBondContact O-N 2.97Å; S319-L323 WeakPolarHBondContact O-CB 3.27Å; S319-L323 PolarHBondContact O-N 3.05Å; S319-Y382 WeakPolarHBondContact CB-O 2.96Å; S319-Y382 WeakPolarHBondContact OG-CB 3.38Å
320T92.6Very high90.4Very high7 Ų734.7 Ų34.74%0.04317%0.169CC..Hα-helixtrans-66.2-42.9173.355.60000111.4Q316 R317 V322 L323 L324 V383 V384 V387Q316-T320 WeakPolarHBondContact O-CG2 3.39Å; Q316-T320 PolarHBondContact O-N 3.43Å; Q316-T320 PolarHBondContact O-OG1 2.91Å; Q316-T320 VanDerWaalsContact O-OG1 3.11Å; R317-T320 PolarHBondContact O-OG1 2.76Å; R317-T320 VanDerWaalsContact O-OG1 3.1Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.21Å; T320-L323 PolarHBondContact O-N 2.71Å; T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 WeakPolarHBondContact O-CG 3.43Å; T320-L324 PolarHBondContact O-N 2.78Å; T320-V383 HydrophobicContact CG2-CG1 4.28Å; T320-V384 HydrophobicContact CG2-CB 3.7Å; T320-V384 HydrophobicContact CG2-CG2 3.58Å; T320-V387 HydrophobicContact CG2-CG2 3.72Å
321R93.2Very high90.8Very high37 Ų3733.9 Ų33.914%0.1417%0.165CC..Hα-helixtrans-58.2-44.1174.5-172-168.3-175.1119.62.8112.1L296 R317 M318 A325 D423 L424 Y427L296-R321 HydrophobicContact CD1-CG 4.06Å; R317-R321 VanDerWaalsContact O-CB 3.24Å; R317-R321 WeakPolarHBondContact O-CB 3.32Å; R317-R321 PolarHBondContact O-N 3.37Å; R317-R321 VanDerWaalsContact O-N 3.1Å; M318-R321 PolarHBondContact O-N 3.24Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.86Å; R321-D423 IonicContact CZ-OD2 3.14Å; R321-D423 IonicContact NH1-OD2 2.85Å; R321-D423 PolarHBondContact NH1-OD2 2.97Å; R321-D423 IonicContact NH2-OD2 3.05Å; R321-D423 PolarHBondContact NH2-OD2 2.8Å; R321-L424 HydrophobicContact CB-CD2 4.05Å; R321-L424 HydrophobicContact CG-CD2 4.31Å; R321-Y427 HydrophobicContact CG-CE2 4.43Å
322V94.5Very high90.4Very high3 Ų332.3 Ų32.32%0.01816%0.155CC..Hα-helixtrans-65-44.4176.3168.60000111.9L296 Y300 M318 S319 T320 T326 L379L296-V322 HydrophobicContact CB-CG2 4Å; Y300-V322 HydrophobicContact CG-CG2 4.45Å; M318-V322 WeakPolarHBondContact O-CB 3.18Å; M318-V322 VanDerWaalsContact O-CG2 3.27Å; M318-V322 WeakPolarHBondContact O-CG2 3.4Å; M318-V322 PolarHBondContact O-N 2.83Å; S319-V322 PolarHBondContact O-N 2.97Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.21Å; V322-T326 PolarHBondContact O-N 3.44Å; V322-T326 PolarHBondContact O-OG1 2.87Å; V322-L379 HydrophobicContact CB-CD2 4.39Å; V322-L379 HydrophobicContact CG1-CD1 3.82Å; V322-L379 HydrophobicContact CG1-CD2 4.26Å
323L94Very high89.7Confident1 Ų130 Ų301%0.00515%0.149CC..Hα-helixtrans-62.9-48.8177.6174.465000111.9S319 T320 T326 L327 M374 L380 V383S319-L323 WeakPolarHBondContact O-CB 3.27Å; S319-L323 PolarHBondContact O-N 3.05Å; T320-L323 PolarHBondContact O-N 2.71Å; L323-T326 PolarHBondContact O-N 2.88Å; L323-T326 PolarHBondContact O-OG1 2.95Å; L323-L327 HydrophobicContact CD1-CD1 3.54Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.98Å; L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 3.49Å; L323-M374 HydrophobicContact CB-SD 4.29Å; L323-M374 HydrophobicContact CD1-CE 3.62Å; L323-M374 HydrophobicContact CD1-SD 3.44Å; L323-M374 WeakPolarHBondContact CD1-SD 3.42Å; L323-M374 HydrophobicContact CG-SD 4.48Å; L323-L380 HydrophobicContact CD1-CD2 4.18Å; L323-L380 HydrophobicContact CD2-CD2 4.43Å; L323-V383 HydrophobicContact CB-CG2 4.27Å; L323-V383 HydrophobicContact CD2-CB 4.38Å; L323-V383 HydrophobicContact CD2-CG1 3.51Å; L323-V383 HydrophobicContact CD2-CG2 3.98Å
324L93.6Very high88.7Confident1 Ų129.5 Ų29.51%0.00514%0.144CC..Hα-helixtrans-68.3-38.7-178.7-65.2176.7000111T320 S328 V387 L390 V414 L424 Y427 L431T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 WeakPolarHBondContact O-CG 3.43Å; T320-L324 PolarHBondContact O-N 2.78Å; L324-S328 WeakPolarHBondContact O-CB 3.43Å; L324-S328 PolarHBondContact O-N 2.98Å; L324-S328 PolarHBondContact O-OG 2.73Å; L324-V387 HydrophobicContact CD2-CG1 4.27Å; L324-L390 HydrophobicContact CD2-CD2 3.78Å; L324-V414 HydrophobicContact CD1-CG2 4.25Å; L324-L424 HydrophobicContact CD1-CB 4.42Å; L324-L424 HydrophobicContact CD1-CD1 4.17Å; L324-L424 HydrophobicContact CD1-CD2 4.13Å; L324-L424 HydrophobicContact CD1-CG 4.47Å; L324-Y427 HydrophobicContact CB-CD2 3.73Å; L324-Y427 HydrophobicContact CB-CE2 4.4Å; L324-Y427 HydrophobicContact CB-CG 4.13Å; L324-L431 HydrophobicContact CD2-CD1 3.93Å
325A95Very high87.5Confident1 Ų130.2 Ų30.21%0.00814%0.143CC..Hα-helixtrans-64.2-40.4174.300000113.1A293 L296 R321 S328 I329 Y427A293-A325 HydrophobicContact CB-CB 4.3Å; L296-A325 HydrophobicContact CD1-CB 3.54Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.86Å; A325-S328 PolarHBondContact O-N 2.94Å; A325-I329 PolarHBondContact O-N 3.38Å; A325-Y427 HydrophobicContact CB-CD1 4.45Å; A325-Y427 HydrophobicContact CB-CE1 3.82Å
326T94.6Very high86.4Confident0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-70.4-42.8177.243.50000113A293 H297 V322 L323 S328 I329 L370A293-T326 HydrophobicContact CB-CG2 4.05Å; H297-T326 WeakPolarHBondContact NE2-CG2 3.36Å; V322-T326 PolarHBondContact O-N 3.44Å; V322-T326 PolarHBondContact O-OG1 2.87Å; L323-T326 PolarHBondContact O-N 2.88Å; L323-T326 PolarHBondContact O-OG1 2.95Å; T326-S328 PolarHBondContact O-N 2.73Å; T326-I329 HydrophobicContact CG2-CD1 4.48Å; T326-I329 WeakPolarHBondContact O-CB 3.36Å; T326-I329 WeakPolarHBondContact O-CD1 3.28Å; T326-I329 VanDerWaalsContact O-CG1 3.29Å; T326-I329 WeakPolarHBondContact O-CG1 3.42Å; T326-I329 PolarHBondContact O-N 3.22Å; T326-L370 HydrophobicContact CG2-CB 4.1Å
327L92.9Very high85.3Confident0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-68.9-22.5175.6-66.5176.5000112.5L323 L390 L394 E395 L431 N434L323-L327 HydrophobicContact CD1-CD1 3.54Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 3.98Å; L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 3.49Å; L327-L390 HydrophobicContact CD1-CB 4.22Å; L327-L390 HydrophobicContact CD1-CD2 3.92Å; L327-L390 HydrophobicContact CD1-CG 3.87Å; L327-L394 HydrophobicContact CB-CD1 4.37Å; L327-L394 HydrophobicContact CD1-CD1 4.33Å; L327-L394 HydrophobicContact CD2-CD1 4.36Å; L327-E395 HydrophobicContact CD2-CG 4.23Å; L327-L431 HydrophobicContact CB-CD2 3.75Å; L327-N434 PolarHBondContact O-ND2 2.62Å
328S93.8Very high84.5Confident0 Ų032.3 Ų32.30%017%0.167CC..THydrogen-bonded Turntrans-78.2-11172.6-62.70000115.1L324 A325 T326 P330 Y427 H430 L431L324-S328 WeakPolarHBondContact O-CB 3.43Å; L324-S328 PolarHBondContact O-N 2.98Å; L324-S328 PolarHBondContact O-OG 2.73Å; A325-S328 PolarHBondContact O-N 2.94Å; T326-S328 PolarHBondContact O-N 2.73Å; S328-P330 VanDerWaalsContact O-CD 3.32Å; S328-P330 WeakPolarHBondContact O-CD 3.25Å; S328-Y427 VanDerWaalsContact OG-CB 3.28Å; S328-Y427 WeakPolarHBondContact OG-CB 3.15Å; S328-H430 WeakPolarHBondContact O-CB 3.32Å; S328-L431 WeakPolarHBondContact OG-CG 3.35Å
329I93.3Very high83.6Confident6 Ų631 Ų313%0.03116%0.163CC..SBendtrans-60.1122.7175.8-59.5167.6000107.7L290 A293 A325 T326 I331 R367 L370 N434L290-I329 HydrophobicContact CB-CG2 4.12Å; L290-I329 HydrophobicContact CD1-CD1 4.15Å; L290-I329 HydrophobicContact CD1-CG2 4.19Å; A293-I329 HydrophobicContact CB-CD1 3.75Å; A293-I329 HydrophobicContact CB-CG1 3.91Å; A325-I329 PolarHBondContact O-N 3.38Å; T326-I329 HydrophobicContact CG2-CD1 4.48Å; T326-I329 WeakPolarHBondContact O-CB 3.36Å; T326-I329 WeakPolarHBondContact O-CD1 3.28Å; T326-I329 VanDerWaalsContact O-CG1 3.29Å; T326-I329 WeakPolarHBondContact O-CG1 3.42Å; T326-I329 PolarHBondContact O-N 3.22Å; I329-I331 PolarHBondContact O-N 3.24Å; I329-R367 HydrophobicContact CB-CG 4.03Å; I329-R367 HydrophobicContact CD1-CG 4.36Å; I329-R367 HydrophobicContact CG2-CB 3.99Å; I329-R367 HydrophobicContact CG2-CG 4.01Å; I329-R367 WeakPolarHBondContact O-CD 3.3Å; I329-R367 PolarHBondContact O-NE 3.19Å; I329-L370 HydrophobicContact CD1-CD1 3.7Å; I329-N434 PolarHBondContact O-ND2 3.1Å
330P89.5Confident82.7Confident38 Ų3838 Ų3825%0.24719%0.189CC..  trans-49.9130.4177.7-29.636.2000111.5S328S328-P330 VanDerWaalsContact O-CD 3.32Å; S328-P330 WeakPolarHBondContact O-CD 3.25Å
331I85.8Confident81.9Confident15 Ų1544.6 Ų44.68%0.07722%0.224CC..SBendtrans-73.9-37.6179.6-66.5161.5000110.6I329 R367 N434 L437 R438 P506I329-I331 PolarHBondContact O-N 3.24Å; I331-R367 VanDerWaalsContact CG1-CZ 3.49Å; I331-N434 HydrophobicContact CD1-CB 3.72Å; I331-N434 HydrophobicContact CG1-CB 4.33Å; I331-N434 WeakPolarHBondContact CG1-OD1 3.32Å; I331-N434 PolarHBondContact N-OD1 3.12Å; I331-N434 VanDerWaalsContact N-OD1 3.07Å; I331-L437 HydrophobicContact CB-CD2 3.62Å; I331-L437 HydrophobicContact CD1-CD2 4.47Å; I331-L437 HydrophobicContact CG2-CD2 3.49Å; I331-L437 VanDerWaalsContact CG2-CD2 3.49Å; I331-R438 HydrophobicContact CD1-CG 3.71Å; I331-P506 HydrophobicContact CG2-CB 3.34Å; I331-P506 HydrophobicContact CG2-CG 4.16Å
332T77.1Confident81.3Confident40 Ų4048 Ų4825%0.24525%0.245CC..SBendtrans-70.6128.717057.40000109.6L437 D479T332-L437 HydrophobicContact CG2-CD1 4.29Å; T332-L437 HydrophobicContact CG2-CD2 3.74Å; T332-D479 VanDerWaalsContact CG2-OD2 3.27Å; T332-D479 WeakPolarHBondContact CG2-OD2 3.46Å
333P70.4Confident80.7Confident51 Ų5154.9 Ų54.933%0.33128%0.281SS..  trans-65.6145.9176.627.5-34000111.2R335P333-R335 HydrophobicContact CG-CG 4.33Å; P333-R335 PolarHBondContact O-N 3.3Å
334E65.8Low79.9Confident92 Ų9259.2 Ų59.243%0.4330%0.302SS..  trans-68.762.3174.5-71.2175.4-133.100112.2T336E334-T336 PolarHBondContact O-N 3.28Å
335R63.7Low78.7Confident94 Ų9462.6 Ų62.636%0.35532%0.32SS..  trans-74.791168.3-75.4-178.2167.6-801.9108P333 D337 D504P333-R335 HydrophobicContact CG-CG 4.33Å; P333-R335 PolarHBondContact O-N 3.3Å; R335-D337 PolarHBondContact O-N 2.79Å; R335-D504 IonicContact CZ-OD2 2.65Å; R335-D504 IonicContact NE-OD2 3.73Å; R335-D504 PolarHBondContact NE-OD2 3.43Å; R335-D504 IonicContact NH2-OD2 3.42Å; R335-D504 PolarHBondContact NH2-OD2 3.41Å
336T64.4Low78Confident73 Ų7364.8 Ų64.845%0.44834%0.343SS..  trans-66103.7165.346.80000108.3E334 I338 A339 R340E334-T336 PolarHBondContact O-N 3.28Å; T336-I338 PolarHBondContact O-N 3.44Å; T336-A339 WeakPolarHBondContact O-CB 3.33Å; T336-A339 PolarHBondContact O-N 2.83Å; T336-A339 WeakPolarHBondContact OG1-CB 3.2Å; T336-R340 PolarHBondContact O-N 3.19Å
337D67.1Low77.5Confident60 Ų6069.3 Ų69.332%0.32137%0.366SS..Hα-helixtrans-54.5-22173.1-74.2-20.4000111.7R335 R340 L341 R476R335-D337 PolarHBondContact O-N 2.79Å; D337-R340 PolarHBondContact O-N 2.59Å; D337-L341 VanDerWaalsContact O-CB 3.25Å; D337-L341 WeakPolarHBondContact O-CB 3.22Å; D337-L341 PolarHBondContact O-N 2.74Å; D337-R476 IonicContact OD2-CZ 3.75Å; D337-R476 IonicContact OD2-NE 3.95Å; D337-R476 PolarHBondContact OD2-NE 3.17Å; D337-R476 IonicContact OD2-NH2 3.89Å; D337-R476 PolarHBondContact OD2-NH2 3.04Å
338I72.8Confident77Confident117 Ų11771.5 Ų71.560%0.638%0.378SS*.Hα-helixtrans-60.8-44.5170.3-54.6172.5000112.1T336 R340 L341 L342T336-I338 PolarHBondContact O-N 3.44Å; I338-R340 VanDerWaalsContact C-N 3.27Å; I338-R340 PolarHBondContact O-N 3.45Å; I338-L341 PolarHBondContact O-N 3.23Å; I338-L342 HydrophobicContact CG2-CD1 3.96Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 WeakPolarHBondContact O-CD1 3.48Å; I338-L342 VanDerWaalsContact O-CG 3.23Å; I338-L342 WeakPolarHBondContact O-CG 3.18Å; I338-L342 PolarHBondContact O-N 3.48Å; I338-L342 VanDerWaalsContact O-N 3.08Å
339A70.6Confident76.5Confident15 Ų1575 Ų7512%0.12440%0.399CS..Hα-helixtrans-64.6-37.1177.600000111T336 L342 D343 M344 I348T336-A339 WeakPolarHBondContact O-CB 3.33Å; T336-A339 PolarHBondContact O-N 2.83Å; T336-A339 WeakPolarHBondContact OG1-CB 3.2Å; A339-L342 CarbonylContact O-C 3.6Å; A339-L342 PolarHBondContact O-N 3.47Å; A339-D343 PolarHBondContact O-N 2.73Å; A339-M344 PolarHBondContact O-N 2.87Å; A339-I348 HydrophobicContact CB-CD1 4.15Å
340R71.5Confident76.1Confident146 Ų14681 Ų8155%0.55143%0.427SS*.Hα-helixtrans-71.4-35.9176.4-160173.5-159.7-149.7-3.3113.2T336 D337 I338 L342 D343 D345T336-R340 PolarHBondContact O-N 3.19Å; D337-R340 PolarHBondContact O-N 2.59Å; I338-R340 VanDerWaalsContact C-N 3.27Å; I338-R340 PolarHBondContact O-N 3.45Å; R340-L342 PolarHBondContact O-N 3.28Å; R340-D343 PolarHBondContact O-N 3.28Å; R340-D345 WeakPolarHBondContact CA-OD1 3.31Å; R340-D345 WeakPolarHBondContact CB-OD1 3.41Å; R340-D345 IonicContact NE-OD2 3.91Å
341L76.3Confident76Confident147 Ų14783.9 Ų83.977%0.7744%0.436SS*.Hα-helixtrans-68.3-19.3172.6-17763.2000112.7D337 I338D337-L341 VanDerWaalsContact O-CB 3.25Å; D337-L341 WeakPolarHBondContact O-CB 3.22Å; D337-L341 PolarHBondContact O-N 2.74Å; I338-L341 PolarHBondContact O-N 3.23Å
342L80.8Confident76.1Confident109 Ų10984.9 Ų84.957%0.57144%0.44SS*.THydrogen-bonded Turntrans-101.55.5175.8-66.1169.9000112.8I338 A339 R340 M344I338-L342 HydrophobicContact CG2-CD1 3.96Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 WeakPolarHBondContact O-CD1 3.48Å; I338-L342 VanDerWaalsContact O-CG 3.23Å; I338-L342 WeakPolarHBondContact O-CG 3.18Å; I338-L342 PolarHBondContact O-N 3.48Å; I338-L342 VanDerWaalsContact O-N 3.08Å; A339-L342 CarbonylContact O-C 3.6Å; A339-L342 PolarHBondContact O-N 3.47Å; R340-L342 PolarHBondContact O-N 3.28Å; L342-M344 HydrophobicContact CB-CB 4.46Å; L342-M344 HydrophobicContact CB-CG 4.08Å; L342-M344 VanDerWaalsContact O-CE 3.31Å; L342-M344 WeakPolarHBondContact O-CE 3.49Å; L342-M344 WeakPolarHBondContact O-CG 3.33Å; L342-M344 PolarHBondContact O-N 2.99Å; L342-M344 VanDerWaalsContact O-N 3.15Å
343D80.8Confident76.7Confident146 Ų14690 Ų9078%0.78146%0.455SS*.THydrogen-bonded Turntrans55.322.5-173.4-64.6-49.3000115A339 R340A339-D343 PolarHBondContact O-N 2.73Å; R340-D343 PolarHBondContact O-N 3.28Å
344M77.2Confident77.6Confident92 Ų9294.4 Ų94.445%0.45347%0.465SS..  trans-98.125-175.4-68.1-58.411100114A339 L342 G346 I347A339-M344 PolarHBondContact O-N 2.87Å; L342-M344 HydrophobicContact CB-CB 4.46Å; L342-M344 HydrophobicContact CB-CG 4.08Å; L342-M344 VanDerWaalsContact O-CE 3.31Å; L342-M344 WeakPolarHBondContact O-CE 3.49Å; L342-M344 WeakPolarHBondContact O-CG 3.33Å; L342-M344 PolarHBondContact O-N 2.99Å; L342-M344 VanDerWaalsContact O-N 3.15Å; M344-G346 PolarHBondContact O-N 2.88Å; M344-I347 HydrophobicContact CB-CD1 3.86Å; M344-I347 HydrophobicContact CB-CG1 4.17Å; M344-I347 HydrophobicContact CG-CD1 3.99Å; M344-I347 WeakPolarHBondContact O-CB 3.16Å; M344-I347 PolarHBondContact O-N 2.78Å; M344-I347 HydrophobicContact SD-CD1 3.79Å
345D69.3Low78.8Confident72 Ų7290.5 Ų90.539%0.38545%0.447SS..THydrogen-bonded Turntrans-51.8-30.6-173.2-91-5.6000114R340 I347R340-D345 WeakPolarHBondContact CA-OD1 3.31Å; R340-D345 WeakPolarHBondContact CB-OD1 3.41Å; R340-D345 IonicContact NE-OD2 3.91Å; D345-I347 PolarHBondContact O-N 3.29Å
346G80.1Confident80.2Confident48 Ų4886 Ų8650%0.49543%0.43SS..Hα-helixtrans-66.9-29177.900000115.1M344 I348 V349 E350M344-G346 PolarHBondContact O-N 2.88Å; G346-I348 VanDerWaalsContact C-N 3.27Å; G346-I348 PolarHBondContact O-N 3.09Å; G346-V349 PolarHBondContact O-N 3.04Å; G346-V349 VanDerWaalsContact O-N 3.17Å; G346-E350 PolarHBondContact O-N 3.18Å
347I84.6Confident81.5Confident94 Ų9486.3 Ų86.348%0.48243%0.432SS..Hα-helixtrans-63.2-32.7-171.7-63.1-171.1000111.8M344 D345 V349 E350 K351M344-I347 HydrophobicContact CB-CD1 3.86Å; M344-I347 HydrophobicContact CB-CG1 4.17Å; M344-I347 HydrophobicContact CG-CD1 3.99Å; M344-I347 WeakPolarHBondContact O-CB 3.16Å; M344-I347 PolarHBondContact O-N 2.78Å; M344-I347 HydrophobicContact SD-CD1 3.79Å; D345-I347 PolarHBondContact O-N 3.29Å; I347-V349 PolarHBondContact O-N 3.19Å; I347-E350 PolarHBondContact O-N 2.99Å; I347-K351 WeakPolarHBondContact O-CB 3.17Å; I347-K351 PolarHBondContact O-N 3.28Å
348I81.4Confident82.5Confident47 Ų4784.1 Ų84.124%0.24142%0.42CS..Hα-helixtrans-62.4-44.6179.5-56.5177.1000110.4A339 G346 H352A339-I348 HydrophobicContact CB-CD1 4.15Å; G346-I348 VanDerWaalsContact C-N 3.27Å; G346-I348 PolarHBondContact O-N 3.09Å; I348-H352 WeakPolarHBondContact O-CB 3.43Å; I348-H352 PolarHBondContact O-CD2 3.07Å; I348-H352 VanDerWaalsContact O-CG 3.29Å; I348-H352 PolarHBondContact O-N 2.95Å
349V83.6Confident83.4Confident74 Ų7478.7 Ų78.745%0.44839%0.392SS..Hα-helixtrans-69.2-40.9-179.6-178.10000111G346 I347 H352 R353G346-V349 PolarHBondContact O-N 3.04Å; G346-V349 VanDerWaalsContact O-N 3.17Å; I347-V349 PolarHBondContact O-N 3.19Å; V349-H352 PolarHBondContact O-N 3.42Å; V349-R353 WeakPolarHBondContact O-CG 3.47Å; V349-R353 PolarHBondContact O-N 2.96Å
350E85.6Confident84.2Confident132 Ų13279.9 Ų79.962%0.61741%0.406SS*.Hα-helixtrans-67.3-42.6177.1-65.8-167156.500112.5G346 I347 H352 R353 R354G346-E350 PolarHBondContact O-N 3.18Å; I347-E350 PolarHBondContact O-N 2.99Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.17Å; E350-R353 PolarHBondContact O-N 2.82Å; E350-R354 PolarHBondContact O-N 2.81Å
351K86.3Confident85Confident97 Ų9774.1 Ų74.142%0.42239%0.387SS..Hα-helixtrans-55.1-49.3171-177.7-166.8174.5-153.40110.2N288 I347 R353 R354 L355N288-K351 PolarHBondContact OD1-NZ 3.22Å; I347-K351 WeakPolarHBondContact O-CB 3.17Å; I347-K351 PolarHBondContact O-N 3.28Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 3.17Å; K351-R354 PolarHBondContact O-N 3.17Å; K351-L355 HydrophobicContact CG-CD1 4.45Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.02Å
352H87.9Confident85.5Confident37 Ų3776.2 Ų76.217%0.17139%0.393CS..Hα-helixtrans-65.5-34-179.7-71.5-169.7000112.8F291 I348 V349 E350 A356 P364F291-H352 HydrophobicContact CE2-CB 4.19Å; F291-H352 AromaticContact CE2-CD2 3.82Å; F291-H352 AromaticContact CE2-CG 3.86Å; F291-H352 HydrophobicContact CZ-CB 4.04Å; F291-H352 WeakPolarHBondContact CZ-O 3.49Å; I348-H352 WeakPolarHBondContact O-CB 3.43Å; I348-H352 PolarHBondContact O-CD2 3.07Å; I348-H352 VanDerWaalsContact O-CG 3.29Å; I348-H352 PolarHBondContact O-N 2.95Å; V349-H352 PolarHBondContact O-N 3.42Å; E350-H352 VanDerWaalsContact C-N 3.33Å; E350-H352 PolarHBondContact O-N 3.17Å; H352-A356 VanDerWaalsContact O-CB 3.31Å; H352-A356 WeakPolarHBondContact O-CB 3.41Å; H352-A356 PolarHBondContact O-N 2.94Å; H352-P364 HydrophobicContact CB-CB 4.19Å
353R90.6Very high85.9Confident147 Ų14774.6 Ų74.656%0.55539%0.39SS*.Hα-helixtrans-65.4-45.7171.5-74.2170.9175.8173.8-0.9112.4V349 E350 K351 A356 T357V349-R353 WeakPolarHBondContact O-CG 3.47Å; V349-R353 PolarHBondContact O-N 2.96Å; E350-R353 PolarHBondContact O-N 2.82Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 3.17Å; R353-A356 PolarHBondContact O-N 2.91Å; R353-T357 PolarHBondContact O-N 2.81Å; R353-T357 PolarHBondContact O-OG1 3.03Å
354R90.2Very high86.3Confident143 Ų14370 Ų7054%0.5437%0.369SS..Hα-helixtrans-60.1-47175.1-178176.1177.9167.9-2.2111.2E254 E350 K351 T357 L358E254-R354 IonicContact OE1-CZ 2.8Å; E254-R354 IonicContact OE1-NE 2.65Å; E254-R354 PolarHBondContact OE1-NE 2.82Å; E254-R354 IonicContact OE1-NH2 3.12Å; E254-R354 PolarHBondContact OE1-NH2 3.28Å; E254-R354 IonicContact OE2-CZ 2.82Å; E254-R354 IonicContact OE2-NH2 3.56Å; E254-R354 PolarHBondContact OE2-NH2 2.82Å; E350-R354 PolarHBondContact O-N 2.81Å; K351-R354 PolarHBondContact O-N 3.17Å; R354-T357 PolarHBondContact O-N 3.42Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.33Å
355L90.1Very high87Confident10 Ų1066.1 Ų66.15%0.05235%0.35CS..Hα-helixtrans-58.9-49.5175.6-68.5-173.9000111.6F250 F283 F291 K351 T357 L358 L359F250-L355 HydrophobicContact CD2-CD2 4.49Å; F250-L355 HydrophobicContact CE2-CD2 3.56Å; F250-L355 HydrophobicContact CZ-CD2 4.21Å; F283-L355 HydrophobicContact CE1-CD1 4.09Å; F283-L355 HydrophobicContact CE1-CD2 3.93Å; F283-L355 HydrophobicContact CE1-CG 4.48Å; F283-L355 HydrophobicContact CZ-CD2 4.3Å; F291-L355 HydrophobicContact CD1-CB 4.02Å; F291-L355 HydrophobicContact CD2-CB 4.45Å; F291-L355 HydrophobicContact CD2-CD1 3.8Å; F291-L355 HydrophobicContact CE1-CB 3.63Å; F291-L355 HydrophobicContact CE2-CB 4.11Å; F291-L355 HydrophobicContact CE2-CD1 3.82Å; F291-L355 HydrophobicContact CG-CB 4.42Å; F291-L355 HydrophobicContact CG-CD1 4.25Å; F291-L355 HydrophobicContact CZ-CB 3.69Å; F291-L355 HydrophobicContact CZ-CD1 4.28Å; K351-L355 HydrophobicContact CG-CD1 4.45Å; K351-L355 WeakPolarHBondContact O-CG 3.5Å; K351-L355 PolarHBondContact O-N 3.02Å; L355-T357 VanDerWaalsContact C-N 3.28Å; L355-T357 PolarHBondContact O-N 3.1Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.12Å; L355-L359 WeakPolarHBondContact O-CD1 3.24Å; L355-L359 PolarHBondContact O-N 3.48Å
356A92.8Very high88Confident1 Ų166.2 Ų66.21%0.00835%0.353CS..Hα-helixtrans-56.8-42.1178.800000112.6F291 H352 R353 L358 L359 G360 V361F291-A356 HydrophobicContact CE1-CB 4.23Å; H352-A356 VanDerWaalsContact O-CB 3.31Å; H352-A356 WeakPolarHBondContact O-CB 3.41Å; H352-A356 PolarHBondContact O-N 2.94Å; R353-A356 PolarHBondContact O-N 2.91Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 2.9Å; A356-L359 CarbonylContact O-C 3.57Å; A356-L359 PolarHBondContact O-N 3.42Å; A356-L359 VanDerWaalsContact O-N 3.14Å; A356-G360 PolarHBondContact O-N 3.23Å; A356-V361 CarbonylContact C-O 3.28Å; A356-V361 HydrophobicContact CB-CB 4.37Å; A356-V361 PolarHBondContact O-N 3.02Å; A356-V361 VanDerWaalsContact O-O 3.07Å
357T91.6Very high88.5Confident78 Ų7865.3 Ų65.348%0.47934%0.335SS..Hα-helixtrans-58.4-42.8175.7-57.20000111.3H257 R353 R354 L355 L359 G360H257-T357 PolarHBondContact CE1-O 2.88Å; R353-T357 PolarHBondContact O-N 2.81Å; R353-T357 PolarHBondContact O-OG1 3.03Å; R354-T357 PolarHBondContact O-N 3.42Å; L355-T357 VanDerWaalsContact C-N 3.28Å; L355-T357 PolarHBondContact O-N 3.1Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 2.92Å; T357-G360 WeakPolarHBondContact O-CA 3.26Å; T357-G360 PolarHBondContact O-N 2.96Å
358L88.8Confident88.7Confident14 Ų1465.6 Ų65.67%0.07333%0.334CS..Hα-helixtrans-64-31.3178-65.2169.7000113.7F250 E254 H257 R354 L355 A356 G360F250-L358 HydrophobicContact CE2-CD1 3.62Å; F250-L358 HydrophobicContact CZ-CD1 3.64Å; E254-L358 HydrophobicContact CB-CD2 4.29Å; E254-L358 HydrophobicContact CG-CD1 3.87Å; E254-L358 HydrophobicContact CG-CD2 3.91Å; H257-L358 HydrophobicContact CB-CD2 3.75Å; H257-L358 WeakPolarHBondContact ND1-CA 3.42Å; H257-L358 PolarHBondContact ND1-O 3.26Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.33Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.12Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 2.9Å; L358-G360 PolarHBondContact O-N 2.85Å
359L90.5Very high89.2Confident4 Ų465.4 Ų65.42%0.02134%0.337CS..THydrogen-bonded Turntrans-78.92.1169.7-7280.3000113.3F283 F291 C294 T295 L355 A356 T357 V361F283-L359 HydrophobicContact CE2-CD1 3.64Å; F283-L359 HydrophobicContact CE2-CD2 4.46Å; F283-L359 HydrophobicContact CE2-CG 4.29Å; F283-L359 HydrophobicContact CZ-CD1 3.7Å; F291-L359 HydrophobicContact CD1-CD1 3.88Å; F291-L359 HydrophobicContact CD1-CD2 4.24Å; F291-L359 HydrophobicContact CE1-CD1 4.44Å; C294-L359 HydrophobicContact CB-CD2 3.88Å; T295-L359 HydrophobicContact CG2-CD2 3.61Å; T295-L359 HydrophobicContact CG2-CG 4.02Å; L355-L359 WeakPolarHBondContact O-CD1 3.24Å; L355-L359 PolarHBondContact O-N 3.48Å; A356-L359 CarbonylContact O-C 3.57Å; A356-L359 PolarHBondContact O-N 3.42Å; A356-L359 VanDerWaalsContact O-N 3.14Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 2.92Å; L359-V361 VanDerWaalsContact C-N 3.28Å; L359-V361 HydrophobicContact CB-CG2 3.87Å; L359-V361 PolarHBondContact O-N 3.1Å
360G87.4Confident89.6Confident39 Ų3962.1 Ų62.140%0.40232%0.317SS..THydrogen-bonded Turntrans65.727.7-173.200000113.5R298 A356 T357 L358R298-G360 PolarHBondContact NH2-O 3.44Å; A356-G360 PolarHBondContact O-N 3.23Å; T357-G360 WeakPolarHBondContact O-CA 3.26Å; T357-G360 PolarHBondContact O-N 2.96Å; L358-G360 PolarHBondContact O-N 2.85Å
361V89.6Confident89.9Confident26 Ų2656.2 Ų56.216%0.15829%0.29CS..  trans-105.7125.6177.7-166.70000108.8A356 L359 S363A356-V361 CarbonylContact C-O 3.28Å; A356-V361 HydrophobicContact CB-CB 4.37Å; A356-V361 PolarHBondContact O-N 3.02Å; A356-V361 VanDerWaalsContact O-O 3.07Å; L359-V361 VanDerWaalsContact C-N 3.28Å; L359-V361 HydrophobicContact CB-CG2 3.87Å; L359-V361 PolarHBondContact O-N 3.1Å; V361-S363 WeakPolarHBondContact CG1-O 3.22Å
362Q86.5Confident90.2Very high191 Ų19156.7 Ų56.789%0.89330%0.297SS*.SBendtrans-72.8-29.1-173.9-65.2-64.8-30.100113.4
363S88.7Confident90.2Very high75 Ų7557.4 Ų57.452%0.52430%0.302SS..SBendtrans-113.5147.5175.354.50000110.7V361V361-S363 WeakPolarHBondContact CG1-O 3.22Å
364P90.1Very high90.2Very high50 Ų5050.4 Ų50.433%0.32528%0.275SS..  trans-58.5131.116826.5-33.2000109.7H352H352-P364 HydrophobicContact CB-CB 4.19Å
365P91.9Very high90.1Very high10 Ų1046.5 Ų46.57%0.06527%0.267CS..  trans-66.8153.5176.529.4-35.2000110.3L290 F291 C294 L370L290-P365 HydrophobicContact CD1-CB 4.46Å; L290-P365 HydrophobicContact CD1-CG 4.45Å; L290-P365 HydrophobicContact CG-CG 4.35Å; F291-P365 HydrophobicContact CD1-CG 4.24Å; F291-P365 HydrophobicContact CE1-CG 3.88Å; F291-P365 HydrophobicContact CZ-CG 4.27Å; C294-P365 HydrophobicContact CB-CB 4.38Å; C294-P365 HydrophobicContact CB-CG 4.08Å; P365-L370 HydrophobicContact CB-CD1 4.36Å; P365-L370 HydrophobicContact CB-CD2 4.39Å; P365-L370 HydrophobicContact CB-CG 4.31Å
366T90.2Very high90.1Very high73 Ų7354.9 Ų54.945%0.44830%0.298SS..  trans-121.5160.7169.672.40000110.1Q368 S369 L370T366-Q368 PolarHBondContact O-N 2.93Å; T366-S369 PolarHBondContact N-OG 3.29Å; T366-S369 PolarHBondContact O-N 3.49Å; T366-S369 VanDerWaalsContact O-N 3.16Å; T366-S369 PolarHBondContact O-OG 3.26Å; T366-S369 VanDerWaalsContact O-OG 3.06Å; T366-S369 PolarHBondContact OG1-N 3.03Å; T366-L370 PolarHBondContact O-N 3.07Å; T366-L370 VanDerWaalsContact O-N 3.11Å
367R90.1Very high89.7Confident29 Ų2957.9 Ų57.911%0.10931%0.311CS..Hα-helixtrans-53.9-44.6175.1-173.9175.6-173.5-77-4.9111.2I329 I331 I371 E395I329-R367 HydrophobicContact CB-CG 4.03Å; I329-R367 HydrophobicContact CD1-CG 4.36Å; I329-R367 HydrophobicContact CG2-CB 3.99Å; I329-R367 HydrophobicContact CG2-CG 4.01Å; I329-R367 WeakPolarHBondContact O-CD 3.3Å; I329-R367 PolarHBondContact O-NE 3.19Å; I331-R367 VanDerWaalsContact CG1-CZ 3.49Å; R367-I371 HydrophobicContact CG-CD1 4Å; R367-I371 VanDerWaalsContact O-CG1 3.3Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 2.93Å; R367-I371 VanDerWaalsContact O-N 3.13Å; R367-E395 IonicContact CZ-OE1 2.7Å; R367-E395 VanDerWaalsContact CZ-OE1 3.24Å; R367-E395 VanDerWaalsContact NH1-CD 3.32Å; R367-E395 IonicContact NH1-OE1 2.75Å; R367-E395 PolarHBondContact NH1-OE1 3.31Å; R367-E395 IonicContact NH1-OE2 2.83Å; R367-E395 PolarHBondContact NH1-OE2 2.96Å; R367-E395 IonicContact NH2-OE1 3.19Å; R367-E395 PolarHBondContact NH2-OE1 3.22Å
368Q88.9Confident89.5Confident101 Ų10158.4 Ų58.447%0.47231%0.311SS..Hα-helixtrans-66.4-40.1177.6-65.51766.700112.8T366 L370 I371 N372T366-Q368 PolarHBondContact O-N 2.93Å; Q368-L370 PolarHBondContact O-N 3.29Å; Q368-I371 PolarHBondContact O-N 2.92Å; Q368-N372 WeakPolarHBondContact O-CB 3.49Å; Q368-N372 PolarHBondContact O-N 3.39Å; Q368-N372 PolarHBondContact O-ND2 3.04Å
369S91.3Very high89.5Confident42 Ų4257.9 Ų57.929%0.29431%0.308SS..Hα-helixtrans-65-41.5179.775.40000111.7T366 N372 D373T366-S369 PolarHBondContact N-OG 3.29Å; T366-S369 PolarHBondContact O-N 3.49Å; T366-S369 VanDerWaalsContact O-N 3.16Å; T366-S369 PolarHBondContact O-OG 3.26Å; T366-S369 VanDerWaalsContact O-OG 3.06Å; T366-S369 PolarHBondContact OG1-N 3.03Å; S369-N372 PolarHBondContact O-N 3.01Å; S369-D373 WeakPolarHBondContact O-CB 3.47Å; S369-D373 PolarHBondContact O-N 3.18Å
370L92.9Very high89.4Confident5 Ų559.3 Ų59.33%0.02632%0.316CS..Hα-helixtrans-67.1-38.6177.5-65.5174.7000112.2L290 A293 C294 H297 T326 I329 P365 T366 Q368 D373 M374L290-L370 HydrophobicContact CD1-CD1 3.96Å; A293-L370 HydrophobicContact CB-CD1 4.15Å; C294-L370 HydrophobicContact CB-CD1 4.25Å; C294-L370 HydrophobicContact CB-CD2 4.26Å; H297-L370 PolarHBondContact CE1-O 3.24Å; T326-L370 HydrophobicContact CG2-CB 4.1Å; I329-L370 HydrophobicContact CD1-CD1 3.7Å; P365-L370 HydrophobicContact CB-CD1 4.36Å; P365-L370 HydrophobicContact CB-CD2 4.39Å; P365-L370 HydrophobicContact CB-CG 4.31Å; T366-L370 PolarHBondContact O-N 3.07Å; T366-L370 VanDerWaalsContact O-N 3.11Å; Q368-L370 PolarHBondContact O-N 3.29Å; L370-D373 PolarHBondContact O-N 3.04Å; L370-M374 WeakPolarHBondContact O-CB 3.35Å; L370-M374 PolarHBondContact O-N 3.34Å
371I92.1Very high89.5Confident9 Ų962.8 Ų62.85%0.04632%0.321CS..Hα-helixtrans-63.7-44.9173.7-71167.8000111.1R367 Q368 D373 M374 V375 Y391 E395R367-I371 HydrophobicContact CG-CD1 4Å; R367-I371 VanDerWaalsContact O-CG1 3.3Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 2.93Å; R367-I371 VanDerWaalsContact O-N 3.13Å; Q368-I371 PolarHBondContact O-N 2.92Å; I371-D373 PolarHBondContact O-N 3.3Å; I371-M374 WeakPolarHBondContact O-CB 3.43Å; I371-M374 PolarHBondContact O-N 2.95Å; I371-V375 PolarHBondContact O-N 3.32Å; I371-V375 VanDerWaalsContact O-N 3.12Å; I371-Y391 HydrophobicContact CG2-CD2 4.44Å; I371-Y391 HydrophobicContact CG2-CE2 3.69Å; I371-E395 HydrophobicContact CD1-CG 4.35Å
372N91.1Very high89.5Confident107 Ų10765.4 Ų65.457%0.57233%0.329SS*.Hα-helixtrans-62.7-41.3177-70.2-18000111.9Q368 S369 V375 R376Q368-N372 WeakPolarHBondContact O-CB 3.49Å; Q368-N372 PolarHBondContact O-N 3.39Å; Q368-N372 PolarHBondContact O-ND2 3.04Å; S369-N372 PolarHBondContact O-N 3.01Å; N372-V375 PolarHBondContact O-N 3.24Å; N372-R376 VanDerWaalsContact O-CB 3.24Å; N372-R376 WeakPolarHBondContact O-CB 3.24Å; N372-R376 PolarHBondContact O-N 3.29Å
373D89.6Confident89.7Confident51 Ų5156.6 Ų56.627%0.27329%0.288SS..Hα-helixtrans-62.9-41.6173.4-81.9-26.5000111.9S369 L370 I371 V375 R376 F377S369-D373 WeakPolarHBondContact O-CB 3.47Å; S369-D373 PolarHBondContact O-N 3.18Å; L370-D373 PolarHBondContact O-N 3.04Å; I371-D373 PolarHBondContact O-N 3.3Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 2.84Å; D373-R376 PolarHBondContact O-N 3.36Å; D373-F377 HydrophobicContact CB-CD2 4.13Å; D373-F377 HydrophobicContact CB-CE2 3.9Å; D373-F377 WeakPolarHBondContact O-CB 3.47Å; D373-F377 WeakPolarHBondContact O-CD2 3.31Å; D373-F377 WeakPolarHBondContact O-CG 3.29Å; D373-F377 PolarHBondContact O-N 3.14Å
374M89.9Confident89.8Confident1 Ų154.3 Ų54.31%0.00527%0.271CS..Hα-helixtrans-58.6-45177.9179177.468.400112L323 L370 I371 N378 L379 Y391L323-M374 HydrophobicContact CB-SD 4.29Å; L323-M374 HydrophobicContact CD1-CE 3.62Å; L323-M374 HydrophobicContact CD1-SD 3.44Å; L323-M374 WeakPolarHBondContact CD1-SD 3.42Å; L323-M374 HydrophobicContact CG-SD 4.48Å; L370-M374 WeakPolarHBondContact O-CB 3.35Å; L370-M374 PolarHBondContact O-N 3.34Å; I371-M374 WeakPolarHBondContact O-CB 3.43Å; I371-M374 PolarHBondContact O-N 2.95Å; M374-N378 PolarHBondContact O-N 3.01Å; M374-L379 HydrophobicContact CB-CD1 4.34Å; M374-L379 HydrophobicContact CG-CB 3.75Å; M374-L379 HydrophobicContact CG-CD1 3.97Å; M374-L379 HydrophobicContact CG-CG 4.48Å; M374-L379 PolarHBondContact O-N 3Å; M374-Y391 HydrophobicContact CE-CD2 3.76Å; M374-Y391 HydrophobicContact CE-CE2 4.35Å; M374-Y391 HydrophobicContact CE-CG 4.26Å
375V88.3Confident89.8Confident60 Ų6056.3 Ų56.336%0.36428%0.284SS..Hα-helixtrans-66.1-47.9174.9177.50000110.5I371 N372 D373 F377 N378 Y391I371-V375 PolarHBondContact O-N 3.32Å; I371-V375 VanDerWaalsContact O-N 3.12Å; N372-V375 PolarHBondContact O-N 3.24Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 2.84Å; V375-F377 VanDerWaalsContact C-N 3.25Å; V375-F377 PolarHBondContact O-N 3.43Å; V375-N378 PolarHBondContact O-N 2.86Å; V375-Y391 HydrophobicContact CG2-CE1 4.18Å; V375-Y391 HydrophobicContact CG2-CE2 4.21Å
376R89.6Confident89.6Confident187 Ų18760.2 Ų60.271%0.70630%0.302SS*.Hα-helixtrans-57.9-33.8179.7-176-176.8-179.1-163.41.9113.5N372 D373 N378N372-R376 VanDerWaalsContact O-CB 3.24Å; N372-R376 WeakPolarHBondContact O-CB 3.24Å; N372-R376 PolarHBondContact O-N 3.29Å; D373-R376 PolarHBondContact O-N 3.36Å; R376-N378 VanDerWaalsContact C-N 3.35Å
377F84.9Confident89.6Confident63 Ų6356.8 Ų56.828%0.27628%0.28SS..THydrogen-bonded Turntrans-89.46.7177.4-63.6-52.6000114.3D373 V375 L379D373-F377 HydrophobicContact CB-CD2 4.13Å; D373-F377 HydrophobicContact CB-CE2 3.9Å; D373-F377 WeakPolarHBondContact O-CB 3.47Å; D373-F377 WeakPolarHBondContact O-CD2 3.31Å; D373-F377 WeakPolarHBondContact O-CG 3.29Å; D373-F377 PolarHBondContact O-N 3.14Å; V375-F377 VanDerWaalsContact C-N 3.25Å; V375-F377 PolarHBondContact O-N 3.43Å; F377-L379 PolarHBondContact O-N 3.38Å
378N87.9Confident89.6Confident90 Ų9059.5 Ų59.548%0.48129%0.293SS..THydrogen-bonded Turntrans54.631.2179.8-75.2-43.5000114.5M374 V375 R376 L380 Q381M374-N378 PolarHBondContact O-N 3.01Å; V375-N378 PolarHBondContact O-N 2.86Å; R376-N378 VanDerWaalsContact C-N 3.35Å; N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 VanDerWaalsContact O-N 3.15Å; N378-Q381 HydrophobicContact CB-CG 4.26Å; N378-Q381 WeakPolarHBondContact O-CB 3.43Å; N378-Q381 PolarHBondContact O-N 3.38Å
379L88.3Confident89.7Confident2 Ų259.6 Ų59.61%0.0129%0.293CS..G310 helixtrans-54.1-36.9-178.4-104.5150.1000112.7Y300 V322 M374 F377 Q381 Y382 V383Y300-L379 HydrophobicContact CD1-CD1 4.05Å; Y300-L379 HydrophobicContact CD1-CD2 4.07Å; Y300-L379 HydrophobicContact CD1-CG 4.2Å; Y300-L379 HydrophobicContact CD2-CD2 4.17Å; Y300-L379 HydrophobicContact CE1-CD1 3.86Å; Y300-L379 HydrophobicContact CE1-CD2 3.61Å; Y300-L379 HydrophobicContact CE1-CG 3.57Å; Y300-L379 HydrophobicContact CE2-CD2 3.73Å; Y300-L379 HydrophobicContact CG-CD2 4.33Å; Y300-L379 VanDerWaalsContact CZ-CD2 3.42Å; V322-L379 HydrophobicContact CB-CD2 4.39Å; V322-L379 HydrophobicContact CG1-CD1 3.82Å; V322-L379 HydrophobicContact CG1-CD2 4.26Å; M374-L379 HydrophobicContact CB-CD1 4.34Å; M374-L379 HydrophobicContact CG-CB 3.75Å; M374-L379 HydrophobicContact CG-CD1 3.97Å; M374-L379 HydrophobicContact CG-CG 4.48Å; M374-L379 PolarHBondContact O-N 3Å; F377-L379 PolarHBondContact O-N 3.38Å; L379-Q381 PolarHBondContact O-N 2.86Å; L379-Y382 PolarHBondContact O-N 3.43Å; L379-V383 WeakPolarHBondContact O-CG2 2.91Å; L379-V383 PolarHBondContact O-N 2.94Å
380L87.8Confident89.7Confident34 Ų3457.7 Ų57.718%0.17828%0.28CS..G310 helixtrans-59.4-13178.1-60.1170.5000114.8L323 N378 K388 Y391L323-L380 HydrophobicContact CD1-CD2 4.18Å; L323-L380 HydrophobicContact CD2-CD2 4.43Å; N378-L380 PolarHBondContact O-N 2.95Å; N378-L380 VanDerWaalsContact O-N 3.15Å; L380-K388 WeakPolarHBondContact O-CD 3.35Å; L380-K388 WeakPolarHBondContact O-CE 3.19Å; L380-K388 PolarHBondContact O-NZ 2.82Å; L380-K388 VanDerWaalsContact O-NZ 3.11Å; L380-Y391 HydrophobicContact CD1-CD1 3.6Å; L380-Y391 HydrophobicContact CD1-CE1 4.04Å; L380-Y391 HydrophobicContact CD1-CG 4.25Å; L380-Y391 HydrophobicContact CD2-CD1 4.44Å; L380-Y391 HydrophobicContact CD2-CG 4.38Å
381Q89.4Confident89.7Confident112 Ų11259.1 Ų59.152%0.52329%0.285SS..G310 helixtrans-74.8-32.3172-65.7-179.1-5.100112.3N378 L379N378-Q381 HydrophobicContact CB-CG 4.26Å; N378-Q381 WeakPolarHBondContact O-CB 3.43Å; N378-Q381 PolarHBondContact O-N 3.38Å; L379-Q381 PolarHBondContact O-N 2.86Å
382Y89.4Confident89.7Confident81 Ų8161.8 Ų61.832%0.31830%0.3SS..SBendtrans-101.25.3-175.3-54.5-86.2000112.4M315 Q316 S319 L379M315-Y382 HydrophobicContact CG-CD1 3.81Å; M315-Y382 HydrophobicContact CG-CG 4.04Å; Q316-Y382 WeakPolarHBondContact CA-O 3.37Å; Q316-Y382 VanDerWaalsContact CG-O 3.3Å; Q316-Y382 WeakPolarHBondContact CG-O 3.28Å; S319-Y382 WeakPolarHBondContact CB-O 2.96Å; S319-Y382 WeakPolarHBondContact OG-CB 3.38Å; L379-Y382 PolarHBondContact O-N 3.43Å
383V92.1Very high89.7Confident6 Ų657.9 Ų57.94%0.03628%0.277CS..SBendtrans-85138.1177.3167.30000110.5T320 L323 L379 V387 K388T320-V383 HydrophobicContact CG2-CG1 4.28Å; L323-V383 HydrophobicContact CB-CG2 4.27Å; L323-V383 HydrophobicContact CD2-CB 4.38Å; L323-V383 HydrophobicContact CD2-CG1 3.51Å; L323-V383 HydrophobicContact CD2-CG2 3.98Å; L379-V383 WeakPolarHBondContact O-CG2 2.91Å; L379-V383 PolarHBondContact O-N 2.94Å; V383-V387 HydrophobicContact CG1-CG2 3.76Å; V383-K388 HydrophobicContact CG1-CB 3.95Å
384V90.9Very high89.7Confident27 Ų2755.5 Ų55.516%0.16426%0.264CS..  trans-56.3130.2174.6175.20000110.3Q316 T320 E386 V387 K388 W413Q316-V384 HydrophobicContact CB-CG2 4.01Å; Q316-V384 HydrophobicContact CG-CG2 4.31Å; T320-V384 HydrophobicContact CG2-CB 3.7Å; T320-V384 HydrophobicContact CG2-CG2 3.58Å; V384-E386 VanDerWaalsContact C-N 3.29Å; V384-E386 VanDerWaalsContact CG1-OE2 3.28Å; V384-E386 WeakPolarHBondContact CG1-OE2 3.13Å; V384-E386 PolarHBondContact O-N 3.11Å; V384-E386 VanDerWaalsContact O-N 3.14Å; V384-V387 HydrophobicContact CB-CG2 4.1Å; V384-V387 WeakPolarHBondContact O-CG2 3.35Å; V384-V387 PolarHBondContact O-N 3.42Å; V384-V387 VanDerWaalsContact O-N 3.15Å; V384-K388 PolarHBondContact O-N 3.39Å; V384-W413 HydrophobicContact CB-CH2 4.3Å; V384-W413 HydrophobicContact CG1-CH2 3.61Å; V384-W413 HydrophobicContact CG1-CZ2 3.52Å
385P88.6Confident89.7Confident93 Ų9356.9 Ų56.960%0.60427%0.271SS*.Hα-helixtrans-59.6-33-16317.3-28.8000114.8V387 K388P385-V387 VanDerWaalsContact C-N 3.32Å; P385-V387 PolarHBondContact O-N 2.77Å; P385-K388 WeakPolarHBondContact O-CB 3.24Å; P385-K388 PolarHBondContact O-N 3.45Å; P385-K388 VanDerWaalsContact O-N 3.16Å
386E88.8Confident89.8Confident92 Ų9257.8 Ų57.843%0.4328%0.276SS..Hα-helixtrans-64.4-31.5-179.6-6297.7126.200113.8V384 V410 W413V384-E386 VanDerWaalsContact C-N 3.29Å; V384-E386 VanDerWaalsContact CG1-OE2 3.28Å; V384-E386 WeakPolarHBondContact CG1-OE2 3.13Å; V384-E386 PolarHBondContact O-N 3.11Å; V384-E386 VanDerWaalsContact O-N 3.14Å; E386-V410 WeakPolarHBondContact O-CG2 3.2Å; E386-W413 HydrophobicContact CB-CD2 4.05Å; E386-W413 HydrophobicContact CB-CG 4.35Å; E386-W413 HydrophobicContact CB-CZ2 3.87Å; E386-W413 HydrophobicContact CG-CZ2 4.22Å; E386-W413 PolarHBondContact OE1-NE1 3.22Å
387V90.2Very high89.8Confident0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-94.6-9.4174.9-75.30000112.9T320 L324 V383 V384 P385 E389 L390 V410 W413 V414T320-V387 HydrophobicContact CG2-CG2 3.72Å; L324-V387 HydrophobicContact CD2-CG1 4.27Å; V383-V387 HydrophobicContact CG1-CG2 3.76Å; V384-V387 HydrophobicContact CB-CG2 4.1Å; V384-V387 WeakPolarHBondContact O-CG2 3.35Å; V384-V387 PolarHBondContact O-N 3.42Å; V384-V387 VanDerWaalsContact O-N 3.15Å; P385-V387 VanDerWaalsContact C-N 3.32Å; P385-V387 PolarHBondContact O-N 2.77Å; V387-E389 PolarHBondContact O-N 3.31Å; V387-L390 WeakPolarHBondContact O-CB 3.42Å; V387-L390 PolarHBondContact O-N 2.88Å; V387-V410 HydrophobicContact CB-CG1 4.38Å; V387-V410 HydrophobicContact CG1-CG1 3.55Å; V387-W413 HydrophobicContact CG1-CE3 3.98Å; V387-W413 HydrophobicContact CG1-CH2 4.31Å; V387-W413 HydrophobicContact CG1-CZ3 3.59Å; V387-W413 HydrophobicContact CG2-CH2 4.44Å; V387-W413 HydrophobicContact CG2-CZ3 4.46Å; V387-V414 HydrophobicContact CG1-CG2 4.35Å
388K89.5Confident90.1Very high87 Ų8750 Ų5038%0.37825%0.25SC..Hα-helixtrans-65.2-38.1-172.9-177.4172173.1160.50114.1L380 V383 V384 P385 L390L380-K388 WeakPolarHBondContact O-CD 3.35Å; L380-K388 WeakPolarHBondContact O-CE 3.19Å; L380-K388 PolarHBondContact O-NZ 2.82Å; L380-K388 VanDerWaalsContact O-NZ 3.11Å; V383-K388 HydrophobicContact CG1-CB 3.95Å; V384-K388 PolarHBondContact O-N 3.39Å; P385-K388 WeakPolarHBondContact O-CB 3.24Å; P385-K388 PolarHBondContact O-N 3.45Å; P385-K388 VanDerWaalsContact O-N 3.16Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.93Å
389E90.2Very high90.2Very high102 Ų10249.8 Ų49.848%0.47725%0.246SC..THydrogen-bonded Turntrans-74.9-13.2178.6-69.1-165.5-160.100113.8V387 Y391 N392 W393V387-E389 PolarHBondContact O-N 3.31Å; E389-Y391 PolarHBondContact O-N 3.43Å; E389-N392 WeakPolarHBondContact O-CB 3.09Å; E389-N392 PolarHBondContact O-N 2.74Å; E389-W393 HydrophobicContact CB-CD2 4.22Å; E389-W393 VanDerWaalsContact CB-CE2 3.49Å; E389-W393 HydrophobicContact CB-CH2 4.27Å; E389-W393 HydrophobicContact CB-CZ2 3.53Å; E389-W393 HydrophobicContact CG-CZ2 4.36Å; E389-W393 PolarHBondContact O-N 3.48Å; E389-W393 VanDerWaalsContact OE2-CZ2 3.3Å; E389-W393 WeakPolarHBondContact OE2-CZ2 3.31Å; E389-W393 PolarHBondContact OE2-NE1 3.28Å
390L92.1Very high90.3Very high2 Ų250.1 Ų50.11%0.0125%0.248CC..Hα-helixtrans-58.9-34.7-176.3-171.665.5000112.7L324 L327 V387 K388 W393 L394 V407 V410L324-L390 HydrophobicContact CD2-CD2 3.78Å; L327-L390 HydrophobicContact CD1-CB 4.22Å; L327-L390 HydrophobicContact CD1-CD2 3.92Å; L327-L390 HydrophobicContact CD1-CG 3.87Å; V387-L390 WeakPolarHBondContact O-CB 3.42Å; V387-L390 PolarHBondContact O-N 2.88Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.93Å; L390-W393 HydrophobicContact CD1-CE3 4.18Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.4Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 WeakPolarHBondContact O-CG 3.05Å; L390-L394 PolarHBondContact O-N 2.86Å; L390-L394 VanDerWaalsContact O-N 3.14Å; L390-V407 HydrophobicContact CD1-CB 4.42Å; L390-V407 HydrophobicContact CD1-CG1 4.1Å; L390-V407 HydrophobicContact CD1-CG2 3.81Å; L390-V410 HydrophobicContact CD2-CG1 4.35Å
391Y92.4Very high90.4Very high36 Ų3652.9 Ų52.914%0.14126%0.262CS..Hα-helixtrans-60.7-49.4172.5164.3-105.2000111.9I371 M374 V375 L380 E389 W393 L394 E395 V396I371-Y391 HydrophobicContact CG2-CD2 4.44Å; I371-Y391 HydrophobicContact CG2-CE2 3.69Å; M374-Y391 HydrophobicContact CE-CD2 3.76Å; M374-Y391 HydrophobicContact CE-CE2 4.35Å; M374-Y391 HydrophobicContact CE-CG 4.26Å; V375-Y391 HydrophobicContact CG2-CE1 4.18Å; V375-Y391 HydrophobicContact CG2-CE2 4.21Å; L380-Y391 HydrophobicContact CD1-CD1 3.6Å; L380-Y391 HydrophobicContact CD1-CE1 4.04Å; L380-Y391 HydrophobicContact CD1-CG 4.25Å; L380-Y391 HydrophobicContact CD2-CD1 4.44Å; L380-Y391 HydrophobicContact CD2-CG 4.38Å; E389-Y391 PolarHBondContact O-N 3.43Å; Y391-W393 VanDerWaalsContact C-N 3.34Å; Y391-W393 PolarHBondContact O-N 2.93Å; Y391-L394 PolarHBondContact O-N 3.21Å; Y391-E395 HydrophobicContact CD2-CB 4.3Å; Y391-E395 HydrophobicContact CD2-CG 4.08Å; Y391-E395 HydrophobicContact CE2-CB 3.96Å; Y391-E395 HydrophobicContact CE2-CG 4.08Å; Y391-E395 PolarHBondContact O-N 3.11Å; Y391-V396 HydrophobicContact CE1-CG2 4.02Å
392N91.8Very high90.5Very high65 Ų6554 Ų5435%0.34827%0.265SS..Hα-helixtrans-60.6-46.8179.1-66.3-11.7000110E389 L394 V396 D397E389-N392 WeakPolarHBondContact O-CB 3.09Å; E389-N392 PolarHBondContact O-N 2.74Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.47Å; N392-V396 CarbonylContact O-C 3.59Å; N392-V396 WeakPolarHBondContact O-CA 3.1Å; N392-V396 WeakPolarHBondContact O-CB 3.46Å; N392-V396 PolarHBondContact O-N 3.04Å; N392-D397 PolarHBondContact O-N 3.25Å
393W91.9Very high90.6Very high24 Ų2450.3 Ų50.39%0.09125%0.251CS..Hα-helixtrans-65.3-32.4-176.6-55.1-17.6000114.2E389 L390 Y391 L403 R406 V407 V410E389-W393 HydrophobicContact CB-CD2 4.22Å; E389-W393 VanDerWaalsContact CB-CE2 3.49Å; E389-W393 HydrophobicContact CB-CH2 4.27Å; E389-W393 HydrophobicContact CB-CZ2 3.53Å; E389-W393 HydrophobicContact CG-CZ2 4.36Å; E389-W393 PolarHBondContact O-N 3.48Å; E389-W393 VanDerWaalsContact OE2-CZ2 3.3Å; E389-W393 WeakPolarHBondContact OE2-CZ2 3.31Å; E389-W393 PolarHBondContact OE2-NE1 3.28Å; L390-W393 HydrophobicContact CD1-CE3 4.18Å; Y391-W393 VanDerWaalsContact C-N 3.34Å; Y391-W393 PolarHBondContact O-N 2.93Å; W393-L403 HydrophobicContact CB-CD1 3.99Å; W393-L403 VanDerWaalsContact O-CD1 3.23Å; W393-L403 WeakPolarHBondContact O-CD1 3.45Å; W393-R406 HydrophobicContact CD2-CB 3.89Å; W393-R406 HydrophobicContact CD2-CG 4.33Å; W393-R406 HydrophobicContact CE3-CB 3.65Å; W393-R406 HydrophobicContact CH2-CB 3.97Å; W393-R406 HydrophobicContact CH2-CG 4.43Å; W393-R406 HydrophobicContact CZ2-CB 4.19Å; W393-R406 HydrophobicContact CZ2-CG 4.22Å; W393-R406 HydrophobicContact CZ3-CB 3.69Å; W393-R406 WeakPolarHBondContact CZ3-O 3.46Å; W393-V407 HydrophobicContact CE3-CG2 4.17Å; W393-V410 HydrophobicContact CH2-CG2 3.9Å; W393-V410 HydrophobicContact CZ3-CG2 3.57Å
394L90.4Very high90.5Very high1 Ų150.3 Ų50.31%0.00525%0.251CS..Hα-helixtrans-90.5-27.1-177.3-72.4175.2000114.4L327 L390 Y391 N392 L403 R438L327-L394 HydrophobicContact CB-CD1 4.37Å; L327-L394 HydrophobicContact CD1-CD1 4.33Å; L327-L394 HydrophobicContact CD2-CD1 4.36Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.4Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 WeakPolarHBondContact O-CG 3.05Å; L390-L394 PolarHBondContact O-N 2.86Å; L390-L394 VanDerWaalsContact O-N 3.14Å; Y391-L394 PolarHBondContact O-N 3.21Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.47Å; L394-L403 HydrophobicContact CD2-CD1 4.32Å; L394-R438 HydrophobicContact CD2-CB 4.41Å; L394-R438 HydrophobicContact CD2-CG 4.26Å; L394-R438 PolarHBondContact O-NE 2.99Å; L394-R438 VanDerWaalsContact O-NE 3.15Å
395E89.3Confident90.5Very high30 Ų3050.9 Ų50.914%0.1426%0.263CS..Hα-helixtrans-120.7-18.9-171.4-51.7-59.8148.500114.3L327 R367 I371 Y391 R438L327-E395 HydrophobicContact CD2-CG 4.23Å; R367-E395 IonicContact CZ-OE1 2.7Å; R367-E395 VanDerWaalsContact CZ-OE1 3.24Å; R367-E395 VanDerWaalsContact NH1-CD 3.32Å; R367-E395 IonicContact NH1-OE1 2.75Å; R367-E395 PolarHBondContact NH1-OE1 3.31Å; R367-E395 IonicContact NH1-OE2 2.83Å; R367-E395 PolarHBondContact NH1-OE2 2.96Å; R367-E395 IonicContact NH2-OE1 3.19Å; R367-E395 PolarHBondContact NH2-OE1 3.22Å; I371-E395 HydrophobicContact CD1-CG 4.35Å; Y391-E395 HydrophobicContact CD2-CB 4.3Å; Y391-E395 HydrophobicContact CD2-CG 4.08Å; Y391-E395 HydrophobicContact CE2-CB 3.96Å; Y391-E395 HydrophobicContact CE2-CG 4.08Å; Y391-E395 PolarHBondContact O-N 3.11Å; E395-R438 IonicContact OE1-NE 2.7Å; E395-R438 IonicContact OE1-NH2 3.53Å; E395-R438 IonicContact OE2-CZ 2.7Å; E395-R438 IonicContact OE2-NE 3.7Å; E395-R438 IonicContact OE2-NH2 2.81Å; E395-R438 PolarHBondContact OE2-NH2 3.47Å
396V89.8Confident90.6Very high80 Ų8049.7 Ų49.749%0.48525%0.246SC..THydrogen-bonded Turntrans-122.9-49.3-170.8-171.10000113.3Y391 N392Y391-V396 HydrophobicContact CE1-CG2 4.02Å; N392-V396 CarbonylContact O-C 3.59Å; N392-V396 WeakPolarHBondContact O-CA 3.1Å; N392-V396 WeakPolarHBondContact O-CB 3.46Å; N392-V396 PolarHBondContact O-N 3.04Å
397D90.9Very high90.7Very high44 Ų4445.4 Ų45.424%0.23523%0.226CC..  trans-75.6128.1-177.3-75.211.6000111.6N392 H399 R406 Q442N392-D397 PolarHBondContact O-N 3.25Å; D397-H399 PolarHBondContact O-N 2.8Å; D397-R406 IonicContact OD2-CZ 3.67Å; D397-R406 IonicContact OD2-NH1 2.7Å; D397-R406 PolarHBondContact OD2-NH1 2.96Å; D397-R406 IonicContact OD2-NH2 3.76Å; D397-Q442 PolarHBondContact O-NE2 2.71Å
398F90.8Very high90.8Very high43 Ų4346.6 Ų46.619%0.18923%0.234CC..  trans-97.383.1172.3-169-95.1000111.1Q442 Q445 I446 P509 L511F398-Q442 HydrophobicContact CD2-CB 4.39Å; F398-Q442 HydrophobicContact CD2-CG 3.85Å; F398-Q442 HydrophobicContact CE2-CB 3.97Å; F398-Q442 HydrophobicContact CE2-CG 3.86Å; F398-Q442 HydrophobicContact CZ-CB 4.4Å; F398-Q445 HydrophobicContact CE2-CB 4.28Å; F398-Q445 HydrophobicContact CZ-CB 3.98Å; F398-I446 HydrophobicContact CE1-CD1 3.59Å; F398-I446 HydrophobicContact CE1-CG1 3.77Å; F398-I446 HydrophobicContact CZ-CD1 3.98Å; F398-I446 HydrophobicContact CZ-CG1 3.8Å; F398-P509 HydrophobicContact CB-CB 4.32Å; F398-P509 HydrophobicContact CD2-CB 4.29Å; F398-P509 WeakPolarHBondContact CD2-O 2.94Å; F398-L511 HydrophobicContact CD1-CB 4.13Å; F398-L511 HydrophobicContact CD1-CD2 3.99Å; F398-L511 HydrophobicContact CD2-CB 4.25Å; F398-L511 HydrophobicContact CE1-CB 3.81Å; F398-L511 HydrophobicContact CE1-CD2 3.4Å; F398-L511 VanDerWaalsContact CE1-CD2 3.4Å; F398-L511 HydrophobicContact CE1-CG 4.21Å; F398-L511 HydrophobicContact CE2-CB 3.94Å; F398-L511 HydrophobicContact CG-CB 4.34Å; F398-L511 HydrophobicContact CZ-CB 3.72Å; F398-L511 HydrophobicContact CZ-CD2 3.96Å; F398-L511 HydrophobicContact CZ-CG 4.5Å
399H90.6Very high90.9Very high85 Ų8550.2 Ų50.239%0.39425%0.249SC..  trans-141.763-169.9-76.3-8.8000113.2D397 L401 K402 L403D397-H399 PolarHBondContact O-N 2.8Å; H399-L401 PolarHBondContact O-N 3.01Å; H399-K402 HydrophobicContact CB-CB 4.47Å; H399-K402 PolarHBondContact O-N 3.47Å; H399-L403 PolarHBondContact O-N 3.44Å
400P89.4Confident90.9Very high8 Ų845.8 Ų45.85%0.05223%0.229CC..Hα-helixtrans-56.5-46.5-169.115.2-27.2000113.5K402 L403 L439 Q442 V443 I446P400-K402 PolarHBondContact O-N 2.91Å; P400-K402 VanDerWaalsContact O-N 3.08Å; P400-L403 PolarHBondContact O-N 3.42Å; P400-L439 HydrophobicContact CB-CD1 3.78Å; P400-L439 WeakPolarHBondContact O-CD1 3.49Å; P400-Q442 HydrophobicContact CB-CB 3.79Å; P400-Q442 VanDerWaalsContact CD-OE1 3.28Å; P400-Q442 HydrophobicContact CG-CB 4.05Å; P400-V443 HydrophobicContact CB-CG2 3.85Å; P400-I446 HydrophobicContact CG-CD1 3.64Å
401L90.7Very high90.9Very high93 Ų9345.8 Ų45.849%0.48723%0.229SC..Hα-helixtrans-66.2-12.1-178.4-58.9178.9000114.8H399 L458H399-L401 PolarHBondContact O-N 3.01Å; L401-L458 HydrophobicContact CD2-CD1 3.95Å; L401-L458 HydrophobicContact CD2-CD2 3.87Å
402K91.2Very high90.8Very high135 Ų13547.3 Ų47.359%0.58724%0.24SC*.Hα-helixtrans-113.8-18178.8-64.9-179.5-178.9175.40113.1H399 P400 G405 R406H399-K402 HydrophobicContact CB-CB 4.47Å; H399-K402 PolarHBondContact O-N 3.47Å; P400-K402 PolarHBondContact O-N 2.91Å; P400-K402 VanDerWaalsContact O-N 3.08Å; K402-G405 PolarHBondContact O-N 2.76Å; K402-R406 WeakPolarHBondContact O-CB 3.15Å; K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.42Å
403L91Very high90.8Very high3 Ų346.4 Ų46.42%0.01623%0.232CC..Hα-helixtrans-57.8-55.4-173178.258.2000112.3W393 L394 H399 P400 G405 R406 V407 T435 R438 L439W393-L403 HydrophobicContact CB-CD1 3.99Å; W393-L403 VanDerWaalsContact O-CD1 3.23Å; W393-L403 WeakPolarHBondContact O-CD1 3.45Å; L394-L403 HydrophobicContact CD2-CD1 4.32Å; H399-L403 PolarHBondContact O-N 3.44Å; P400-L403 PolarHBondContact O-N 3.42Å; L403-G405 PolarHBondContact O-N 3.34Å; L403-R406 PolarHBondContact O-N 3.25Å; L403-V407 HydrophobicContact CD1-CG2 3.94Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 2.82Å; L403-T435 HydrophobicContact CG-CG2 4.3Å; L403-R438 HydrophobicContact CD2-CB 4.1Å; L403-L439 HydrophobicContact CD2-CB 4.28Å
404S89.9Confident90.8Very high7 Ų745.4 Ų45.45%0.04923%0.228CC..Hα-helixtrans-59.2-47-179.253.70000112.5R406 V407 T408 L458S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.29Å; S404-V407 PolarHBondContact O-N 2.82Å; S404-T408 WeakPolarHBondContact O-CB 3.49Å; S404-T408 PolarHBondContact O-N 2.97Å; S404-T408 PolarHBondContact O-OG1 3.32Å; S404-L458 WeakPolarHBondContact CB-O 3.48Å; S404-L458 PolarHBondContact OG-O 3.14Å
405G90.1Very high90.7Very high39 Ų3950 Ų5040%0.40225%0.245SC..Hα-helixtrans-66.1-30.7178.700000114.2K402 L403K402-G405 PolarHBondContact O-N 2.76Å; L403-G405 PolarHBondContact O-N 3.34Å
406R91.6Very high90.7Very high68 Ų6855 Ų5526%0.25727%0.273SS..Hα-helixtrans-68.9-54.5170.4-80.2172.9162.7-173.3-5.4111W393 D397 K402 L403 S404 T408 K409W393-R406 HydrophobicContact CD2-CB 3.89Å; W393-R406 HydrophobicContact CD2-CG 4.33Å; W393-R406 HydrophobicContact CE3-CB 3.65Å; W393-R406 HydrophobicContact CH2-CB 3.97Å; W393-R406 HydrophobicContact CH2-CG 4.43Å; W393-R406 HydrophobicContact CZ2-CB 4.19Å; W393-R406 HydrophobicContact CZ2-CG 4.22Å; W393-R406 HydrophobicContact CZ3-CB 3.69Å; W393-R406 WeakPolarHBondContact CZ3-O 3.46Å; D397-R406 IonicContact OD2-CZ 3.67Å; D397-R406 IonicContact OD2-NH1 2.7Å; D397-R406 PolarHBondContact OD2-NH1 2.96Å; D397-R406 IonicContact OD2-NH2 3.76Å; K402-R406 WeakPolarHBondContact O-CB 3.15Å; K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.42Å; L403-R406 PolarHBondContact O-N 3.25Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.29Å; R406-T408 VanDerWaalsContact C-N 3.35Å; R406-T408 PolarHBondContact O-N 2.89Å; R406-K409 PolarHBondContact O-N 3.36Å
407V92.1Very high90.4Very high1 Ų153.4 Ų53.41%0.00626%0.26CS..Hα-helixtrans-63.7-37.6-177176.70000112.1L390 W393 L403 S404 K409 V410 L411 T435L390-V407 HydrophobicContact CD1-CB 4.42Å; L390-V407 HydrophobicContact CD1-CG1 4.1Å; L390-V407 HydrophobicContact CD1-CG2 3.81Å; W393-V407 HydrophobicContact CE3-CG2 4.17Å; L403-V407 HydrophobicContact CD1-CG2 3.94Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 2.82Å; S404-V407 PolarHBondContact O-N 2.82Å; V407-K409 PolarHBondContact O-N 3.35Å; V407-V410 PolarHBondContact O-N 3.15Å; V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CD2 4.48Å; V407-L411 HydrophobicContact CG1-CG 3.85Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.88Å; V407-T435 HydrophobicContact CB-CG2 4.02Å; V407-T435 HydrophobicContact CG1-CG2 4.08Å; V407-T435 HydrophobicContact CG2-CG2 3.99Å
408T90.9Very high89.8Confident26 Ų2653.5 Ų53.516%0.1627%0.267CS..Hα-helixtrans-55.8-38.6178.6-55.70000112.3S404 R406 V410 L411 N412 F461S404-T408 WeakPolarHBondContact O-CB 3.49Å; S404-T408 PolarHBondContact O-N 2.97Å; S404-T408 PolarHBondContact O-OG1 3.32Å; R406-T408 VanDerWaalsContact C-N 3.35Å; R406-T408 PolarHBondContact O-N 2.89Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 PolarHBondContact O-N 3.35Å; T408-L411 PolarHBondContact O-N 2.97Å; T408-N412 WeakPolarHBondContact O-CB 3.26Å; T408-N412 PolarHBondContact O-N 2.69Å; T408-F461 WeakPolarHBondContact OG1-CD1 3.43Å
409K91.1Very high89.2Confident163 Ų16361.1 Ų61.171%0.70930%0.303SS*.Hα-helixtrans-63.1-41.3176.8-66.1-178.6179.4-169.80111.9R406 V407 W413R406-K409 PolarHBondContact O-N 3.36Å; V407-K409 PolarHBondContact O-N 3.35Å; K409-W413 WeakPolarHBondContact O-CB 3.37Å; K409-W413 PolarHBondContact O-N 3.1Å
410V91.5Very high88.6Confident8 Ų864.9 Ų64.95%0.04832%0.319CS..Hα-helixtrans-71.7-39.8179179.20000111.2E386 V387 L390 W393 V407 T408 N412 W413 V414E386-V410 WeakPolarHBondContact O-CG2 3.2Å; V387-V410 HydrophobicContact CB-CG1 4.38Å; V387-V410 HydrophobicContact CG1-CG1 3.55Å; L390-V410 HydrophobicContact CD2-CG1 4.35Å; W393-V410 HydrophobicContact CH2-CG2 3.9Å; W393-V410 HydrophobicContact CZ3-CG2 3.57Å; V407-V410 PolarHBondContact O-N 3.15Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 PolarHBondContact O-N 3.35Å; V410-N412 VanDerWaalsContact C-N 3.33Å; V410-N412 PolarHBondContact O-N 3.33Å; V410-W413 PolarHBondContact O-N 2.95Å; V410-V414 WeakPolarHBondContact O-CG2 3.43Å; V410-V414 PolarHBondContact O-N 3.44Å
411L90.9Very high88.1Confident3 Ų366 Ų662%0.01632%0.324CS..Hα-helixtrans-64.2-37.2174.9-65.9176.2000112.4V407 T408 R415 V428 L431 Q432V407-L411 HydrophobicContact CG1-CD1 3.81Å; V407-L411 HydrophobicContact CG1-CD2 4.48Å; V407-L411 HydrophobicContact CG1-CG 3.85Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.88Å; T408-L411 PolarHBondContact O-N 2.97Å; L411-R415 WeakPolarHBondContact O-CG 3.24Å; L411-R415 PolarHBondContact O-N 3.21Å; L411-R415 VanDerWaalsContact O-N 3.07Å; L411-V428 HydrophobicContact CD2-CG1 4.33Å; L411-L431 HydrophobicContact CD2-CB 3.83Å; L411-L431 HydrophobicContact CD2-CD1 4.13Å; L411-Q432 HydrophobicContact CD1-CG 3.56Å
412N91.2Very high87.8Confident67 Ų6764.8 Ų64.836%0.35833%0.327SS..Hα-helixtrans-67.6-48.2173.3-70.8-2.1000110.9T408 V410 V414 R415 D416T408-N412 WeakPolarHBondContact O-CB 3.26Å; T408-N412 PolarHBondContact O-N 2.69Å; V410-N412 VanDerWaalsContact C-N 3.33Å; V410-N412 PolarHBondContact O-N 3.33Å; N412-V414 PolarHBondContact O-N 3.33Å; N412-R415 CarbonylContact O-C 3.54Å; N412-R415 WeakPolarHBondContact O-CA 3.47Å; N412-R415 WeakPolarHBondContact O-CB 3.18Å; N412-R415 PolarHBondContact O-N 3.43Å; N412-R415 PolarHBondContact OD1-NH1 3Å; N412-D416 PolarHBondContact O-N 3.39Å
413W91.9Very high87.4Confident47 Ų4761.7 Ų61.718%0.17832%0.317CS..Hα-helixtrans-55.6-35.7174.4177.7102.9000113V384 E386 V387 K409 V410 Q417V384-W413 HydrophobicContact CB-CH2 4.3Å; V384-W413 HydrophobicContact CG1-CH2 3.61Å; V384-W413 HydrophobicContact CG1-CZ2 3.52Å; E386-W413 HydrophobicContact CB-CD2 4.05Å; E386-W413 HydrophobicContact CB-CG 4.35Å; E386-W413 HydrophobicContact CB-CZ2 3.87Å; E386-W413 HydrophobicContact CG-CZ2 4.22Å; E386-W413 PolarHBondContact OE1-NE1 3.22Å; V387-W413 HydrophobicContact CG1-CE3 3.98Å; V387-W413 HydrophobicContact CG1-CH2 4.31Å; V387-W413 HydrophobicContact CG1-CZ3 3.59Å; V387-W413 HydrophobicContact CG2-CH2 4.44Å; V387-W413 HydrophobicContact CG2-CZ3 4.46Å; K409-W413 WeakPolarHBondContact O-CB 3.37Å; K409-W413 PolarHBondContact O-N 3.1Å; V410-W413 PolarHBondContact O-N 2.95Å; W413-Q417 VanDerWaalsContact CH2-NE2 3.3Å; W413-Q417 WeakPolarHBondContact O-CG 3.16Å
414V90.6Very high87.3Confident3 Ų361.8 Ų61.82%0.01832%0.317CS..Hα-helixtrans-66.3-47.5171.9171.40000110.6L324 V387 V410 N412 D416 Q417 L424 Q425 V428L324-V414 HydrophobicContact CD1-CG2 4.25Å; V387-V414 HydrophobicContact CG1-CG2 4.35Å; V410-V414 WeakPolarHBondContact O-CG2 3.43Å; V410-V414 PolarHBondContact O-N 3.44Å; N412-V414 PolarHBondContact O-N 3.33Å; V414-D416 VanDerWaalsContact C-N 3.32Å; V414-D416 PolarHBondContact O-N 2.71Å; V414-Q417 PolarHBondContact O-N 3.13Å; V414-Q417 VanDerWaalsContact O-N 3.08Å; V414-L424 HydrophobicContact CG1-CB 4.22Å; V414-Q425 PolarHBondContact O-NE2 3.28Å; V414-V428 HydrophobicContact CB-CG2 4.33Å; V414-V428 HydrophobicContact CG1-CG2 3.68Å
415R89.3Confident87.4Confident96 Ų9663.8 Ų63.836%0.36233%0.325SS..Hα-helixtrans-58.2-42.2177.3-71.8166.9177.5161.90.3112.5L411 N412 Q417 A418L411-R415 WeakPolarHBondContact O-CG 3.24Å; L411-R415 PolarHBondContact O-N 3.21Å; L411-R415 VanDerWaalsContact O-N 3.07Å; N412-R415 CarbonylContact O-C 3.54Å; N412-R415 WeakPolarHBondContact O-CA 3.47Å; N412-R415 WeakPolarHBondContact O-CB 3.18Å; N412-R415 PolarHBondContact O-N 3.43Å; N412-R415 PolarHBondContact OD1-NH1 3Å; R415-Q417 PolarHBondContact O-N 3.05Å; R415-A418 WeakPolarHBondContact O-CB 3.11Å; R415-A418 PolarHBondContact O-N 3.43Å; R415-A418 VanDerWaalsContact O-N 3.12Å
416D89.3Confident87.4Confident136 Ų13664.7 Ų64.773%0.72732%0.319SS*.THydrogen-bonded Turntrans-63.7-12.2178.5-57.6-27.1000112.9N412 V414N412-D416 PolarHBondContact O-N 3.39Å; V414-D416 VanDerWaalsContact C-N 3.32Å; V414-D416 PolarHBondContact O-N 2.71Å
417Q84.4Confident87.6Confident46 Ų4661.5 Ų61.522%0.21531%0.307CS..THydrogen-bonded Turntrans-100.113.3176.5-68.9-175.2800114.7W413 V414 R415 E419 K420 E421W413-Q417 VanDerWaalsContact CH2-NE2 3.3Å; W413-Q417 WeakPolarHBondContact O-CG 3.16Å; V414-Q417 PolarHBondContact O-N 3.13Å; V414-Q417 VanDerWaalsContact O-N 3.08Å; R415-Q417 PolarHBondContact O-N 3.05Å; Q417-E419 PolarHBondContact O-N 3.27Å; Q417-E419 VanDerWaalsContact O-N 3.1Å; Q417-K420 PolarHBondContact O-N 3.41Å; Q417-E421 PolarHBondContact O-N 3Å
418A78Confident87.6Confident47 Ų4761.7 Ų61.739%0.38831%0.309SS..THydrogen-bonded Turntrans-49.3-39-177.600000114.8R415 A422 Q425R415-A418 WeakPolarHBondContact O-CB 3.11Å; R415-A418 PolarHBondContact O-N 3.43Å; R415-A418 VanDerWaalsContact O-N 3.12Å; A418-A422 PolarHBondContact O-N 3.3Å; A418-Q425 HydrophobicContact CB-CG 4.35Å
419E76.8Confident87.6Confident202 Ų20263.8 Ų63.894%0.94432%0.323SS*.THydrogen-bonded Turntrans-75.9-24.8178.4-61.1-176.5161.300114.1Q417Q417-E419 PolarHBondContact O-N 3.27Å; Q417-E419 VanDerWaalsContact O-N 3.1Å
420K78.3Confident87.6Confident164 Ų16459 Ų5971%0.71330%0.302SS*.THydrogen-bonded Turntrans-93.1-35.6-175.4-69.6179.2179.4172.90112.9Q417Q417-K420 PolarHBondContact O-N 3.41Å
421E79.5Confident87.6Confident33 Ų3358.7 Ų58.715%0.15430%0.301CS..  trans-147.465.5-171.7-77.3-62.1158.100110.5R317 Q417 D423 L424R317-E421 WeakPolarHBondContact CD-OE1 3.21Å; R317-E421 VanDerWaalsContact CG-OE1 3.22Å; R317-E421 WeakPolarHBondContact CG-OE1 3.13Å; R317-E421 IonicContact CZ-OE1 2.73Å; R317-E421 IonicContact NE-OE1 3.96Å; R317-E421 IonicContact NH1-OE1 3.22Å; R317-E421 PolarHBondContact NH1-OE1 2.93Å; Q417-E421 PolarHBondContact O-N 3Å; E421-D423 PolarHBondContact O-N 3.28Å; E421-L424 HydrophobicContact CB-CD1 3.8Å; E421-L424 HydrophobicContact CB-CG 3.92Å; E421-L424 HydrophobicContact CG-CD1 4.21Å; E421-L424 PolarHBondContact O-N 2.99Å
422A83.2Confident87.7Confident67 Ų6760 Ų6055%0.55431%0.306SS*.G310 helixtrans-54.5-35.6179.200000113.1A418 L424 Q425A418-A422 PolarHBondContact O-N 3.3Å; A422-L424 PolarHBondContact O-N 2.78Å; A422-Q425 WeakPolarHBondContact O-CB 3.46Å; A422-Q425 WeakPolarHBondContact O-CG 3.2Å; A422-Q425 PolarHBondContact O-N 2.79Å
423D84.6Confident87.6Confident70 Ų7060 Ų6037%0.37431%0.312SS..G310 helixtrans-61.6-13.1177.5-86.224.1000114.1R321 E421 Y427R321-D423 IonicContact CZ-OD2 3.14Å; R321-D423 IonicContact NH1-OD2 2.85Å; R321-D423 PolarHBondContact NH1-OD2 2.97Å; R321-D423 IonicContact NH2-OD2 3.05Å; R321-D423 PolarHBondContact NH2-OD2 2.8Å; E421-D423 PolarHBondContact O-N 3.28Å; D423-Y427 WeakPolarHBondContact O-CE2 3.36Å
424L88.8Confident87.6Confident4 Ų458.2 Ų58.22%0.02131%0.306CS..G310 helixtrans-89.1-20.3175.5-58.2-174.9000113.6R321 L324 V414 E421 A422 Q426 Y427R321-L424 HydrophobicContact CB-CD2 4.05Å; R321-L424 HydrophobicContact CG-CD2 4.31Å; L324-L424 HydrophobicContact CD1-CB 4.42Å; L324-L424 HydrophobicContact CD1-CD1 4.17Å; L324-L424 HydrophobicContact CD1-CD2 4.13Å; L324-L424 HydrophobicContact CD1-CG 4.47Å; V414-L424 HydrophobicContact CG1-CB 4.22Å; E421-L424 HydrophobicContact CB-CD1 3.8Å; E421-L424 HydrophobicContact CB-CG 3.92Å; E421-L424 HydrophobicContact CG-CD1 4.21Å; E421-L424 PolarHBondContact O-N 2.99Å; A422-L424 PolarHBondContact O-N 2.78Å; L424-Q426 VanDerWaalsContact C-N 3.28Å; L424-Q426 PolarHBondContact O-N 2.99Å; L424-Y427 HydrophobicContact CB-CD2 4.44Å; L424-Y427 HydrophobicContact CD2-CD2 4.16Å; L424-Y427 HydrophobicContact CD2-CE2 3.8Å; L424-Y427 WeakPolarHBondContact O-CD2 3.43Å; L424-Y427 PolarHBondContact O-N 3.26Å
425Q90.4Very high87.7Confident49 Ų4958.1 Ų58.123%0.22931%0.305CS..G310 helixtrans-62.8-35.5-177.1-60.8-52.4-3900112.7V414 A418 A422 Y427 V428V414-Q425 PolarHBondContact O-NE2 3.28Å; A418-Q425 HydrophobicContact CB-CG 4.35Å; A422-Q425 WeakPolarHBondContact O-CB 3.46Å; A422-Q425 WeakPolarHBondContact O-CG 3.2Å; A422-Q425 PolarHBondContact O-N 2.79Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.13Å; Q425-V428 WeakPolarHBondContact O-CB 3.38Å; Q425-V428 PolarHBondContact O-N 2.57Å; Q425-V428 VanDerWaalsContact O-N 3.09Å
426Q91.9Very high87.7Confident58 Ų5853.8 Ų53.827%0.27129%0.289SS..G310 helixtrans-61.5-23.7-176.872.3-172.95.400113.7W284 L424W284-Q426 VanDerWaalsContact CD1-OE1 3.27Å; W284-Q426 HydrophobicContact CD2-CG 4.35Å; W284-Q426 HydrophobicContact CH2-CB 4.47Å; W284-Q426 HydrophobicContact CH2-CG 4.21Å; W284-Q426 WeakPolarHBondContact CH2-O 3.36Å; W284-Q426 HydrophobicContact CZ2-CB 3.56Å; W284-Q426 HydrophobicContact CZ2-CG 3.63Å; W284-Q426 WeakPolarHBondContact CZ2-O 3.48Å; W284-Q426 VanDerWaalsContact NE1-OE1 3.09Å; L424-Q426 VanDerWaalsContact C-N 3.28Å; L424-Q426 PolarHBondContact O-N 2.99Å
427Y93.9Very high87.8Confident1 Ų148 Ų480%0.00426%0.258CS..G310 helixtrans-76.2-25.4178.4-57.6-47.9000113.2W284 H292 R321 L324 A325 S328 D423 L424 Q425 H430 L431W284-Y427 HydrophobicContact CE3-CE1 4.36Å; W284-Y427 AromaticContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CD1 3.94Å; W284-Y427 HydrophobicContact CH2-CE1 4.26Å; W284-Y427 AromaticContact CZ3-CD1 3.97Å; W284-Y427 HydrophobicContact CZ3-CD1 3.97Å; W284-Y427 AromaticContact CZ3-CE1 3.95Å; W284-Y427 HydrophobicContact CZ3-CE1 3.95Å; H292-Y427 AromaticContact NE2-CE1 3.53Å; H292-Y427 AromaticContact NE2-CZ 3.79Å; H292-Y427 PolarHBondContact NE2-OH 3.16Å; R321-Y427 HydrophobicContact CG-CE2 4.43Å; L324-Y427 HydrophobicContact CB-CD2 3.73Å; L324-Y427 HydrophobicContact CB-CE2 4.4Å; L324-Y427 HydrophobicContact CB-CG 4.13Å; A325-Y427 HydrophobicContact CB-CD1 4.45Å; A325-Y427 HydrophobicContact CB-CE1 3.82Å; S328-Y427 VanDerWaalsContact OG-CB 3.28Å; S328-Y427 WeakPolarHBondContact OG-CB 3.15Å; D423-Y427 WeakPolarHBondContact O-CE2 3.36Å; L424-Y427 HydrophobicContact CB-CD2 4.44Å; L424-Y427 HydrophobicContact CD2-CD2 4.16Å; L424-Y427 HydrophobicContact CD2-CE2 3.8Å; L424-Y427 WeakPolarHBondContact O-CD2 3.43Å; L424-Y427 PolarHBondContact O-N 3.26Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.13Å; Y427-H430 PolarHBondContact O-N 3.41Å; Y427-H430 VanDerWaalsContact O-N 3.13Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.43Å
428V92.3Very high88.1Confident6 Ų645.9 Ų45.94%0.03625%0.249CC..Hα-helixtrans-54.3-47.8-171.1171.80000113.5L411 V414 Q425 H430 L431 Q432L411-V428 HydrophobicContact CD2-CG1 4.33Å; V414-V428 HydrophobicContact CB-CG2 4.33Å; V414-V428 HydrophobicContact CG1-CG2 3.68Å; Q425-V428 WeakPolarHBondContact O-CB 3.38Å; Q425-V428 PolarHBondContact O-N 2.57Å; Q425-V428 VanDerWaalsContact O-N 3.09Å; V428-H430 PolarHBondContact O-N 2.81Å; V428-L431 PolarHBondContact O-N 2.84Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 3.44Å
429P91.4Very high88.7Confident70 Ų7043.8 Ų43.846%0.45523%0.231SC..Hα-helixtrans-64.8-37.9179.8-21.434.4000113.1Q432 S433P429-Q432 WeakPolarHBondContact O-CB 3.1Å; P429-Q432 PolarHBondContact O-N 2.93Å; P429-S433 PolarHBondContact O-N 2.57Å; P429-S433 PolarHBondContact O-OG 3.41Å
430H91.4Very high89.3Confident61 Ų6134.3 Ų34.328%0.28219%0.186SC..Hα-helixtrans-69.2-40.1179.4-68.986.9000111.5W284 S328 Y427 V428 Q432 S433 N434W284-H430 AromaticContact CH2-CE1 3.51Å; W284-H430 AromaticContact CH2-ND1 3.43Å; W284-H430 WeakPolarHBondContact CH2-ND1 3.35Å; W284-H430 AromaticContact CZ2-CE1 3.8Å; W284-H430 AromaticContact CZ2-ND1 3.93Å; S328-H430 WeakPolarHBondContact O-CB 3.32Å; Y427-H430 PolarHBondContact O-N 3.41Å; Y427-H430 VanDerWaalsContact O-N 3.13Å; V428-H430 PolarHBondContact O-N 2.81Å; H430-Q432 VanDerWaalsContact C-N 3.35Å; H430-S433 PolarHBondContact O-N 2.94Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 2.88Å
431L92Very high89.8Confident3 Ų327.7 Ų27.72%0.01616%0.158CC..Hα-helixtrans-64.3-37.7172.7-66.5169.9000111.9L324 L327 S328 L411 Y427 V428 T435L324-L431 HydrophobicContact CD2-CD1 3.93Å; L327-L431 HydrophobicContact CB-CD2 3.75Å; S328-L431 WeakPolarHBondContact OG-CG 3.35Å; L411-L431 HydrophobicContact CD2-CB 3.83Å; L411-L431 HydrophobicContact CD2-CD1 4.13Å; Y427-L431 WeakPolarHBondContact O-CG 3.39Å; Y427-L431 PolarHBondContact O-N 3.43Å; V428-L431 PolarHBondContact O-N 2.84Å; L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.38Å; L431-T435 PolarHBondContact O-N 3.37Å; L431-T435 PolarHBondContact O-OG1 3.44Å
432Q91.6Very high90.4Very high29 Ų2926.1 Ų26.114%0.13615%0.151CC..Hα-helixtrans-60.1-53.1172.9-73.4176.6-77.800110.9L411 V428 P429 H430 N434 T435 I436 F461L411-Q432 HydrophobicContact CD1-CG 3.56Å; V428-Q432 WeakPolarHBondContact O-CG 3.34Å; V428-Q432 PolarHBondContact O-N 3.44Å; P429-Q432 WeakPolarHBondContact O-CB 3.1Å; P429-Q432 PolarHBondContact O-N 2.93Å; H430-Q432 VanDerWaalsContact C-N 3.35Å; Q432-N434 PolarHBondContact O-N 3.17Å; Q432-T435 PolarHBondContact O-N 2.93Å; Q432-I436 VanDerWaalsContact O-CG1 3.32Å; Q432-I436 WeakPolarHBondContact O-CG1 3.23Å; Q432-I436 PolarHBondContact O-N 3.4Å; Q432-F461 HydrophobicContact CB-CD2 4.34Å; Q432-F461 HydrophobicContact CB-CE2 3.99Å; Q432-F461 HydrophobicContact CG-CD2 3.92Å; Q432-F461 HydrophobicContact CG-CE2 3.93Å; Q432-F461 PolarHBondContact NE2-O 2.97Å
433S90.6Very high90.8Very high69 Ų6923 Ų2348%0.48312%0.124SC..Hα-helixtrans-59.1-45.6178.7-59.50000113P429 H430 T435 I436 L437P429-S433 PolarHBondContact O-N 2.57Å; P429-S433 PolarHBondContact O-OG 3.41Å; H430-S433 PolarHBondContact O-N 2.94Å; S433-T435 VanDerWaalsContact C-N 3.32Å; S433-T435 PolarHBondContact O-N 3.31Å; S433-I436 PolarHBondContact O-N 3.49Å; S433-L437 PolarHBondContact O-N 3.3Å
434N91.2Very high91Very high8 Ų820 Ų204%0.04311%0.11CC..Hα-helixtrans-64-36.2176.9-81.2-13.1000112.6L327 I329 I331 H430 Q432 L437 R438L327-N434 PolarHBondContact O-ND2 2.62Å; I329-N434 PolarHBondContact O-ND2 3.1Å; I331-N434 HydrophobicContact CD1-CB 3.72Å; I331-N434 HydrophobicContact CG1-CB 4.33Å; I331-N434 WeakPolarHBondContact CG1-OD1 3.32Å; I331-N434 PolarHBondContact N-OD1 3.12Å; I331-N434 VanDerWaalsContact N-OD1 3.07Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 2.88Å; Q432-N434 PolarHBondContact O-N 3.17Å; N434-L437 PolarHBondContact O-N 3.07Å; N434-R438 WeakPolarHBondContact O-CB 3.41Å; N434-R438 WeakPolarHBondContact O-CG 3.43Å; N434-R438 PolarHBondContact O-N 3.12Å
435T91.8Very high91Very high1 Ų121 Ų211%0.00612%0.115CC..Hα-helixtrans-66.8-38.5175.9-58.20000111.7L403 V407 L431 Q432 S433 L439 F461L403-T435 HydrophobicContact CG-CG2 4.3Å; V407-T435 HydrophobicContact CB-CG2 4.02Å; V407-T435 HydrophobicContact CG1-CG2 4.08Å; V407-T435 HydrophobicContact CG2-CG2 3.99Å; L431-T435 VanDerWaalsContact O-CB 3.28Å; L431-T435 WeakPolarHBondContact O-CB 3.38Å; L431-T435 PolarHBondContact O-N 3.37Å; L431-T435 PolarHBondContact O-OG1 3.44Å; Q432-T435 PolarHBondContact O-N 2.93Å; S433-T435 VanDerWaalsContact C-N 3.32Å; S433-T435 PolarHBondContact O-N 3.31Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.48Å; T435-L439 PolarHBondContact O-N 3.45Å; T435-F461 HydrophobicContact CG2-CZ 4.17Å
436I91.1Very high91Very high5 Ų522.7 Ų22.73%0.02612%0.124CC..Hα-helixtrans-64.1-47.3175.4-64.8160.3000110Q432 S433 L439 L440 V459 F461 V462 L467Q432-I436 VanDerWaalsContact O-CG1 3.32Å; Q432-I436 WeakPolarHBondContact O-CG1 3.23Å; Q432-I436 PolarHBondContact O-N 3.4Å; S433-I436 PolarHBondContact O-N 3.49Å; I436-L439 WeakPolarHBondContact O-CB 3.48Å; I436-L439 PolarHBondContact O-N 2.65Å; I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 3.08Å; I436-V459 HydrophobicContact CG1-CG1 4.07Å; I436-F461 HydrophobicContact CD1-CE2 4.35Å; I436-F461 HydrophobicContact CG1-CE2 4.24Å; I436-F461 HydrophobicContact CG1-CZ 4.47Å; I436-V462 HydrophobicContact CD1-CB 4.27Å; I436-V462 HydrophobicContact CD1-CG1 4.28Å; I436-V462 HydrophobicContact CD1-CG2 3.6Å; I436-L467 HydrophobicContact CG2-CD1 3.88Å
437L90.1Very high90.9Very high14 Ų1423.8 Ų23.87%0.07313%0.126CC..Hα-helixtrans-63-45.3177.9-168.377.5000112I331 T332 S433 N434 L439 L440 Q441 A474I331-L437 HydrophobicContact CB-CD2 3.62Å; I331-L437 HydrophobicContact CD1-CD2 4.47Å; I331-L437 HydrophobicContact CG2-CD2 3.49Å; I331-L437 VanDerWaalsContact CG2-CD2 3.49Å; T332-L437 HydrophobicContact CG2-CD1 4.29Å; T332-L437 HydrophobicContact CG2-CD2 3.74Å; S433-L437 PolarHBondContact O-N 3.3Å; N434-L437 PolarHBondContact O-N 3.07Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 2.99Å; L437-L440 PolarHBondContact O-N 2.99Å; L437-Q441 WeakPolarHBondContact O-CB 3.32Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.42Å; L437-A474 HydrophobicContact CD1-CB 3.42Å; L437-A474 VanDerWaalsContact CD1-CB 3.42Å
438R90.4Very high90.7Very high3 Ų330.8 Ų30.81%0.01116%0.159CC..Hα-helixtrans-60.1-40.4175.1-74.8-53.1-164.2-1525.7112.1I331 L394 E395 L403 N434 Q441 Q442 P506 V507I331-R438 HydrophobicContact CD1-CG 3.71Å; L394-R438 HydrophobicContact CD2-CB 4.41Å; L394-R438 HydrophobicContact CD2-CG 4.26Å; L394-R438 PolarHBondContact O-NE 2.99Å; L394-R438 VanDerWaalsContact O-NE 3.15Å; E395-R438 IonicContact OE1-NE 2.7Å; E395-R438 IonicContact OE1-NH2 3.53Å; E395-R438 IonicContact OE2-CZ 2.7Å; E395-R438 IonicContact OE2-NE 3.7Å; E395-R438 IonicContact OE2-NH2 2.81Å; E395-R438 PolarHBondContact OE2-NH2 3.47Å; L403-R438 HydrophobicContact CD2-CB 4.1Å; N434-R438 WeakPolarHBondContact O-CB 3.41Å; N434-R438 WeakPolarHBondContact O-CG 3.43Å; N434-R438 PolarHBondContact O-N 3.12Å; R438-Q441 PolarHBondContact O-N 3.47Å; R438-Q442 WeakPolarHBondContact O-CB 3.35Å; R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.8Å; R438-P506 PolarHBondContact NH1-O 3.08Å; R438-P506 VanDerWaalsContact NH1-O 3.08Å; R438-V507 PolarHBondContact NH1-O 3.07Å; R438-V507 VanDerWaalsContact NH1-O 3.1Å; R438-V507 PolarHBondContact NH2-O 3.17Å
439L91.6Very high90.8Very high3 Ų333.9 Ų33.92%0.01618%0.181CC..Hα-helixtrans-61.9-47.4174.1178.263.4000111.5P400 L403 T435 I436 L437 Q441 Q442 V443 V459P400-L439 HydrophobicContact CB-CD1 3.78Å; P400-L439 WeakPolarHBondContact O-CD1 3.49Å; L403-L439 HydrophobicContact CD2-CB 4.28Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.48Å; T435-L439 PolarHBondContact O-N 3.45Å; I436-L439 WeakPolarHBondContact O-CB 3.48Å; I436-L439 PolarHBondContact O-N 2.65Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 2.99Å; L439-Q441 PolarHBondContact O-N 2.83Å; L439-Q442 PolarHBondContact O-N 3.42Å; L439-V443 HydrophobicContact CD1-CG2 3.94Å; L439-V443 HydrophobicContact CG-CG2 4.27Å; L439-V443 WeakPolarHBondContact O-CB 3.43Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.43Å; L439-V459 HydrophobicContact CD2-CG2 3.46Å; L439-V459 VanDerWaalsContact CD2-CG2 3.46Å
440L90Very high90.9Very high2 Ų231.3 Ų31.31%0.0116%0.163CC..Hα-helixtrans-61-43.6178.3-70.4169.6000111.9I436 L437 Q442 V443 A444 L455 I471 L480I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.28Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 3.08Å; L437-L440 PolarHBondContact O-N 2.99Å; L440-Q442 PolarHBondContact O-N 3.14Å; L440-V443 PolarHBondContact O-N 3.29Å; L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 3.11Å; L440-L455 HydrophobicContact CD2-CD2 3.83Å; L440-I471 HydrophobicContact CD1-CB 4.5Å; L440-I471 HydrophobicContact CD1-CG1 3.66Å; L440-I471 HydrophobicContact CD2-CD1 4.24Å; L440-I471 HydrophobicContact CD2-CG1 3.76Å; L440-I471 HydrophobicContact CG-CG1 4.37Å; L440-L480 HydrophobicContact CB-CD1 4.29Å; L440-L480 HydrophobicContact CB-CD2 3.98Å; L440-L480 HydrophobicContact CD1-CD2 4.16Å; L440-L480 HydrophobicContact CD2-CD2 4.46Å; L440-L480 HydrophobicContact CG-CD2 4.43Å
441Q88.9Confident91Very high25 Ų2534 Ų3412%0.11718%0.176CC..Hα-helixtrans-62.2-39.4174.8-72.8-176.2-40.600112.7L437 R438 L439 Q445 P506L437-Q441 WeakPolarHBondContact O-CB 3.32Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 3.42Å; R438-Q441 PolarHBondContact O-N 3.47Å; L439-Q441 PolarHBondContact O-N 2.83Å; Q441-Q445 WeakPolarHBondContact O-CG 3.46Å; Q441-Q445 PolarHBondContact O-NE2 3.43Å; Q441-P506 PolarHBondContact NE2-O 2.52Å
442Q90.6Very high91.1Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..Hα-helixtrans-73.4-37176.3-70.4-175.819.600112.3D397 F398 P400 R438 L439 L440 P509D397-Q442 PolarHBondContact O-NE2 2.71Å; F398-Q442 HydrophobicContact CD2-CB 4.39Å; F398-Q442 HydrophobicContact CD2-CG 3.85Å; F398-Q442 HydrophobicContact CE2-CB 3.97Å; F398-Q442 HydrophobicContact CE2-CG 3.86Å; F398-Q442 HydrophobicContact CZ-CB 4.4Å; P400-Q442 HydrophobicContact CB-CB 3.79Å; P400-Q442 VanDerWaalsContact CD-OE1 3.28Å; P400-Q442 HydrophobicContact CG-CB 4.05Å; R438-Q442 WeakPolarHBondContact O-CB 3.35Å; R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.8Å; L439-Q442 PolarHBondContact O-N 3.42Å; L440-Q442 PolarHBondContact O-N 3.14Å; Q442-P509 HydrophobicContact CG-CG 4.3Å
443V91.6Very high91.1Very high0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-68.1-46.7177.7167.40000111.1P400 L439 L440 Q445 I446 Y447 I450 F493P400-V443 HydrophobicContact CB-CG2 3.85Å; L439-V443 HydrophobicContact CD1-CG2 3.94Å; L439-V443 HydrophobicContact CG-CG2 4.27Å; L439-V443 WeakPolarHBondContact O-CB 3.43Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.43Å; L440-V443 PolarHBondContact O-N 3.29Å; V443-Q445 PolarHBondContact O-N 3.03Å; V443-I446 PolarHBondContact O-N 2.92Å; V443-Y447 HydrophobicContact CG1-CD2 3.92Å; V443-Y447 HydrophobicContact CG1-CG 4.37Å; V443-Y447 PolarHBondContact O-N 3.27Å; V443-I450 HydrophobicContact CG1-CD1 4.38Å; V443-F493 HydrophobicContact CG1-CE2 3.86Å; V443-F493 HydrophobicContact CG1-CZ 4.19Å
444A89.6Confident91.2Very high8 Ų839.7 Ų39.77%0.06620%0.196CC..Hα-helixtrans-62.1-28.4-178.600000113.7L440 I446 L480 F493 M514L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 3.11Å; A444-I446 VanDerWaalsContact C-N 3.29Å; A444-I446 PolarHBondContact O-N 2.9Å; A444-L480 HydrophobicContact CB-CD1 3.75Å; A444-F493 HydrophobicContact CB-CB 4.17Å; A444-F493 HydrophobicContact CB-CD1 3.51Å; A444-F493 HydrophobicContact CB-CD2 4.47Å; A444-F493 HydrophobicContact CB-CE1 3.95Å; A444-F493 HydrophobicContact CB-CG 3.81Å; A444-M514 WeakPolarHBondContact O-CE 3.08Å
445Q88.4Confident91.2Very high26 Ų2639.3 Ų39.312%0.12119%0.194CC..THydrogen-bonded Turntrans-71.5-17.9174.3-75.8176.165.600113.7F398 Q441 V443 P509 Q512F398-Q445 HydrophobicContact CE2-CB 4.28Å; F398-Q445 HydrophobicContact CZ-CB 3.98Å; Q441-Q445 WeakPolarHBondContact O-CG 3.46Å; Q441-Q445 PolarHBondContact O-NE2 3.43Å; V443-Q445 PolarHBondContact O-N 3.03Å; Q445-P509 PolarHBondContact NE2-O 2.81Å; Q445-Q512 WeakPolarHBondContact O-CG 3.44Å; Q445-Q512 PolarHBondContact O-NE2 3.09Å
446I90.1Very high91.2Very high83 Ų8340.8 Ų40.843%0.42621%0.207SC..THydrogen-bonded Turntrans-111.1-45.2-178.1-49.1173.1000111.6F398 P400 V443 A444F398-I446 HydrophobicContact CE1-CD1 3.59Å; F398-I446 HydrophobicContact CE1-CG1 3.77Å; F398-I446 HydrophobicContact CZ-CD1 3.98Å; F398-I446 HydrophobicContact CZ-CG1 3.8Å; P400-I446 HydrophobicContact CG-CD1 3.64Å; V443-I446 PolarHBondContact O-N 2.92Å; A444-I446 VanDerWaalsContact C-N 3.29Å; A444-I446 PolarHBondContact O-N 2.9Å
447Y90.6Very high91.1Very high81 Ų8143.9 Ų43.932%0.31823%0.229SC..  trans-97.8124.1-170.8-70.4-91.2000110.8V443 F493V443-Y447 HydrophobicContact CG1-CD2 3.92Å; V443-Y447 HydrophobicContact CG1-CG 4.37Å; V443-Y447 PolarHBondContact O-N 3.27Å; Y447-F493 WeakPolarHBondContact O-CB 3.44Å; Y447-F493 VanDerWaalsContact O-CD2 3.26Å; Y447-F493 WeakPolarHBondContact O-CD2 3.41Å
448Q90Very high91.1Very high148 Ų14843.8 Ų43.869%0.69223%0.228SC*.SBendtrans-77-32.4169.2-169.9179.114.100111.8S492 F493Q448-S492 CarbonylContact O-C 3.56Å; Q448-S492 WeakPolarHBondContact O-CA 3.01Å; Q448-F493 PolarHBondContact O-N 3.49Å
449S93.1Very high91Very high72 Ų7243.8 Ų43.850%0.50323%0.229SC..EExtended strand (participates in β ladder)trans-145.6152.5170.658.30000111.6L491S449-L491 CarbonylContact C-O 3.48Å; S449-L491 VanDerWaalsContact CA-O 3.24Å; S449-L491 WeakPolarHBondContact CA-O 3.45Å
450I94.2Very high90.5Very high16 Ų1648.4 Ų48.48%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-150.5146.3176.9-166.8170.9000110V443 R454 T490 L491 F493V443-I450 HydrophobicContact CG1-CD1 4.38Å; I450-R454 HydrophobicContact CD1-CG 4.31Å; I450-R454 HydrophobicContact CG1-CB 4.29Å; I450-R454 HydrophobicContact CG1-CG 4.35Å; I450-T490 WeakPolarHBondContact O-CA 3.42Å; I450-L491 HydrophobicContact CG2-CB 3.99Å; I450-L491 HydrophobicContact CG2-CD1 4.3Å; I450-L491 PolarHBondContact N-O 3.43Å; I450-L491 PolarHBondContact O-N 2.89Å; I450-F493 HydrophobicContact CG2-CE2 3.76Å; I450-F493 HydrophobicContact CG2-CZ 4.46Å
451E94.4Very high90.3Very high116 Ų11649.9 Ų49.954%0.54227%0.265SS..EExtended strand (participates in β ladder)trans-70.4141.8170.4-57-177.7-174.600111.5S453 R454 L455E451-S453 VanDerWaalsContact C-N 3.34Å; E451-S453 WeakPolarHBondContact CB-OG 3.36Å; E451-S453 PolarHBondContact O-N 2.86Å; E451-S453 PolarHBondContact OE2-OG 2.79Å; E451-R454 HydrophobicContact CB-CB 4.19Å; E451-R454 WeakPolarHBondContact O-CB 3.49Å; E451-R454 PolarHBondContact O-N 2.88Å; E451-R454 VanDerWaalsContact O-N 3.12Å; E451-L455 PolarHBondContact O-N 2.76Å
452F93.4Very high90.2Very high35 Ų3550 Ų5015%0.15427%0.267CS..Hα-helixtrans-66.2-36.4176.5-174.7-99.7000112.3R454 L455 A456 A464 E468 I471 R489 L491F452-R454 VanDerWaalsContact C-N 3.29Å; F452-R454 PolarHBondContact O-N 3.37Å; F452-L455 PolarHBondContact O-N 3.17Å; F452-A456 WeakPolarHBondContact O-CB 3.45Å; F452-A456 PolarHBondContact O-N 2.75Å; F452-A464 HydrophobicContact CE1-CB 4.13Å; F452-A464 HydrophobicContact CZ-CB 4.49Å; F452-A464 WeakPolarHBondContact CZ-O 3.04Å; F452-E468 HydrophobicContact CE2-CB 4.19Å; F452-E468 HydrophobicContact CZ-CB 4.01Å; F452-I471 HydrophobicContact CE2-CD1 4.16Å; F452-R489 VanDerWaalsContact CB-O 3.32Å; F452-R489 WeakPolarHBondContact CB-O 3.29Å; F452-R489 PolarHBondContact N-O 3.17Å; F452-L491 HydrophobicContact CD2-CD1 4.16Å; F452-L491 HydrophobicContact CD2-CD2 4.39Å; F452-L491 HydrophobicContact CD2-CG 4.34Å
453S92.4Very high90.2Very high64 Ų6453.9 Ų53.945%0.44829%0.288SS..Hα-helixtrans-49.7-48166.647.80000111.8E451 A456 S457E451-S453 VanDerWaalsContact C-N 3.34Å; E451-S453 WeakPolarHBondContact CB-OG 3.36Å; E451-S453 PolarHBondContact O-N 2.86Å; E451-S453 PolarHBondContact OE2-OG 2.79Å; S453-A456 PolarHBondContact O-N 3.23Å; S453-S457 PolarHBondContact O-N 3Å
454R91.9Very high90.2Very high122 Ų12255.6 Ų55.646%0.4630%0.303SS..Hα-helixtrans-69-40.5-179.7-175.561.1-176.6129.6-4.2111.2I450 E451 F452 S457 L458I450-R454 HydrophobicContact CD1-CG 4.31Å; I450-R454 HydrophobicContact CG1-CB 4.29Å; I450-R454 HydrophobicContact CG1-CG 4.35Å; E451-R454 HydrophobicContact CB-CB 4.19Å; E451-R454 WeakPolarHBondContact O-CB 3.49Å; E451-R454 PolarHBondContact O-N 2.88Å; E451-R454 VanDerWaalsContact O-N 3.12Å; F452-R454 VanDerWaalsContact C-N 3.29Å; F452-R454 PolarHBondContact O-N 3.37Å; R454-S457 PolarHBondContact NH1-OG 3.4Å; R454-S457 PolarHBondContact O-N 2.86Å; R454-S457 PolarHBondContact O-OG 3.15Å; R454-L458 WeakPolarHBondContact O-CG 3.37Å; R454-L458 PolarHBondContact O-N 3.44Å
455L91.4Very high90.4Very high0 Ų062.8 Ų62.80%033%0.332CS..Hα-helixtrans-65.7-41.8176.2-170.469000112.2L440 E451 F452 S457 L458 V459 L467 I471 L491L440-L455 HydrophobicContact CD2-CD2 3.83Å; E451-L455 PolarHBondContact O-N 2.76Å; F452-L455 PolarHBondContact O-N 3.17Å; L455-S457 VanDerWaalsContact C-N 3.31Å; L455-S457 PolarHBondContact O-N 3.09Å; L455-L458 WeakPolarHBondContact O-CA 3.41Å; L455-L458 WeakPolarHBondContact O-CB 3.26Å; L455-L458 PolarHBondContact O-N 3.48Å; L455-V459 PolarHBondContact O-N 2.78Å; L455-L467 HydrophobicContact CD2-CD2 4.35Å; L455-L467 HydrophobicContact CG-CD2 4.22Å; L455-I471 HydrophobicContact CD2-CD1 3.74Å; L455-L491 HydrophobicContact CD2-CD1 3.43Å; L455-L491 VanDerWaalsContact CD2-CD1 3.43Å
456A91Very high90.4Very high33 Ų3367.1 Ų67.127%0.27335%0.353SS..Hα-helixtrans-58.6-42.4173.300000111.6F452 S453 L458 V459 L467F452-A456 WeakPolarHBondContact O-CB 3.45Å; F452-A456 PolarHBondContact O-N 2.75Å; S453-A456 PolarHBondContact O-N 3.23Å; A456-L458 PolarHBondContact O-N 3.2Å; A456-L458 VanDerWaalsContact O-N 3.14Å; A456-V459 CarbonylContact O-C 3.55Å; A456-V459 PolarHBondContact O-N 2.94Å; A456-L467 HydrophobicContact CB-CD2 4.31Å
457S90.3Very high90.5Very high69 Ų6963.2 Ų63.248%0.48333%0.333SS..Hα-helixtrans-63.8-16.6174.279.10000114.6S453 R454 L455S453-S457 PolarHBondContact O-N 3Å; R454-S457 PolarHBondContact NH1-OG 3.4Å; R454-S457 PolarHBondContact O-N 2.86Å; R454-S457 PolarHBondContact O-OG 3.15Å; L455-S457 VanDerWaalsContact C-N 3.31Å; L455-S457 PolarHBondContact O-N 3.09Å
458L88.9Confident90.6Very high13 Ų1362 Ų627%0.06833%0.33CS..Hα-helixtrans-90.4-14174.2-68.3169.2000112.8L401 S404 R454 L455 A456 P460L401-L458 HydrophobicContact CD2-CD1 3.95Å; L401-L458 HydrophobicContact CD2-CD2 3.87Å; S404-L458 WeakPolarHBondContact CB-O 3.48Å; S404-L458 PolarHBondContact OG-O 3.14Å; R454-L458 WeakPolarHBondContact O-CG 3.37Å; R454-L458 PolarHBondContact O-N 3.44Å; L455-L458 WeakPolarHBondContact O-CA 3.41Å; L455-L458 WeakPolarHBondContact O-CB 3.26Å; L455-L458 PolarHBondContact O-N 3.48Å; A456-L458 PolarHBondContact O-N 3.2Å; A456-L458 VanDerWaalsContact O-N 3.14Å; L458-P460 VanDerWaalsContact C-CD 3.48Å; L458-P460 WeakPolarHBondContact O-CD 3.25Å
459V89.2Confident90.7Very high3 Ų363.3 Ų63.32%0.01833%0.329CS..  trans-122.569.4-179.6-167.90000110.3I436 L439 L455 A456 F461 V462 L467I436-V459 HydrophobicContact CG1-CG1 4.07Å; L439-V459 HydrophobicContact CD2-CG2 3.46Å; L439-V459 VanDerWaalsContact CD2-CG2 3.46Å; L455-V459 PolarHBondContact O-N 2.78Å; A456-V459 CarbonylContact O-C 3.55Å; A456-V459 PolarHBondContact O-N 2.94Å; V459-F461 HydrophobicContact CG1-CD1 4.44Å; V459-F461 HydrophobicContact CG1-CD2 4.32Å; V459-F461 HydrophobicContact CG1-CE1 4.12Å; V459-F461 HydrophobicContact CG1-CE2 3.98Å; V459-F461 HydrophobicContact CG1-CZ 3.88Å; V459-F461 PolarHBondContact O-N 3.2Å; V459-V462 HydrophobicContact CG1-CB 4.06Å; V459-V462 HydrophobicContact CG1-CG2 4.37Å; V459-V462 PolarHBondContact O-N 3.15Å; V459-L467 HydrophobicContact CB-CD2 4.48Å; V459-L467 HydrophobicContact CG2-CD1 4.18Å; V459-L467 HydrophobicContact CG2-CD2 4.5Å
460P81Confident90.5Very high99 Ų9961.5 Ų61.564%0.64332%0.316SS*.THydrogen-bonded Turntrans-71.32.2-170.931.6-38.7000115L458L458-P460 VanDerWaalsContact C-CD 3.48Å; L458-P460 WeakPolarHBondContact O-CD 3.25Å
461F84.9Confident90.3Very high33 Ų3360.8 Ų60.815%0.14531%0.312CS..THydrogen-bonded Turntrans-113.35.6-174.760.1-101.6000114.2T408 Q432 T435 I436 V459T408-F461 WeakPolarHBondContact OG1-CD1 3.43Å; Q432-F461 HydrophobicContact CB-CD2 4.34Å; Q432-F461 HydrophobicContact CB-CE2 3.99Å; Q432-F461 HydrophobicContact CG-CD2 3.92Å; Q432-F461 HydrophobicContact CG-CE2 3.93Å; Q432-F461 PolarHBondContact NE2-O 2.97Å; T435-F461 HydrophobicContact CG2-CZ 4.17Å; I436-F461 HydrophobicContact CD1-CE2 4.35Å; I436-F461 HydrophobicContact CG1-CE2 4.24Å; I436-F461 HydrophobicContact CG1-CZ 4.47Å; V459-F461 HydrophobicContact CG1-CD1 4.44Å; V459-F461 HydrophobicContact CG1-CD2 4.32Å; V459-F461 HydrophobicContact CG1-CE1 4.12Å; V459-F461 HydrophobicContact CG1-CE2 3.98Å; V459-F461 HydrophobicContact CG1-CZ 3.88Å; V459-F461 PolarHBondContact O-N 3.2Å
462V86.8Confident90.1Very high28 Ų2858.5 Ų58.517%0.1731%0.306CS..SBendtrans-137.9142.8177.9172.20000109.2I436 V459 Q466 L467I436-V462 HydrophobicContact CD1-CB 4.27Å; I436-V462 HydrophobicContact CD1-CG1 4.28Å; I436-V462 HydrophobicContact CD1-CG2 3.6Å; V459-V462 HydrophobicContact CG1-CB 4.06Å; V459-V462 HydrophobicContact CG1-CG2 4.37Å; V459-V462 PolarHBondContact O-N 3.15Å; V462-Q466 HydrophobicContact CG1-CB 3.41Å; V462-Q466 VanDerWaalsContact CG1-CB 3.41Å; V462-L467 HydrophobicContact CG1-CB 4.3Å
463D91.6Very high89.8Confident82 Ų8259.6 Ų59.644%0.43931%0.314SS..  trans-70.6154.9177.2170.557.6000112.7F465 Q466 L467D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.88Å; D463-F465 WeakPolarHBondContact OD2-CB 3.38Å; D463-F465 WeakPolarHBondContact OD2-CD2 3.35Å; D463-F465 PolarHBondContact OD2-N 3.47Å; D463-Q466 HydrophobicContact CB-CB 4.49Å; D463-Q466 HydrophobicContact CB-CG 4.31Å; D463-Q466 PolarHBondContact O-N 2.71Å; D463-Q466 VanDerWaalsContact O-N 3.11Å; D463-L467 WeakPolarHBondContact O-CB 3.16Å; D463-L467 PolarHBondContact O-N 2.86Å
464A91.3Very high89.5Confident37 Ų3756.7 Ų56.731%0.30629%0.293SS..Hα-helixtrans-51.9-45.7178.400000113F452 Q466 L467 E468F452-A464 HydrophobicContact CE1-CB 4.13Å; F452-A464 HydrophobicContact CZ-CB 4.49Å; F452-A464 WeakPolarHBondContact CZ-O 3.04Å; A464-Q466 PolarHBondContact O-N 3.21Å; A464-L467 PolarHBondContact O-N 3Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.32Å
465F92.5Very high89.2Confident158 Ų15852.3 Ų52.369%0.69328%0.283SS*.Hα-helixtrans-71.1-32-179-61.8-71.9000112.5D463 R469D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.88Å; D463-F465 WeakPolarHBondContact OD2-CB 3.38Å; D463-F465 WeakPolarHBondContact OD2-CD2 3.35Å; D463-F465 PolarHBondContact OD2-N 3.47Å; F465-R469 WeakPolarHBondContact O-CB 3.21Å; F465-R469 PolarHBondContact O-N 3Å
466Q89.9Confident88.8Confident117 Ų11759.8 Ų59.855%0.54731%0.312SS..Hα-helixtrans-71.9-36.7174.7-66.7179.20.500111.8V462 D463 A464 S470V462-Q466 HydrophobicContact CG1-CB 3.41Å; V462-Q466 VanDerWaalsContact CG1-CB 3.41Å; D463-Q466 HydrophobicContact CB-CB 4.49Å; D463-Q466 HydrophobicContact CB-CG 4.31Å; D463-Q466 PolarHBondContact O-N 2.71Å; D463-Q466 VanDerWaalsContact O-N 3.11Å; A464-Q466 PolarHBondContact O-N 3.21Å; Q466-S470 WeakPolarHBondContact O-CB 3.35Å; Q466-S470 PolarHBondContact O-N 3.4Å; Q466-S470 PolarHBondContact O-OG 3.48Å
467L91.9Very high88.1Confident2 Ų260.2 Ų60.21%0.0131%0.308CS..Hα-helixtrans-66.5-46.1174.117861.5000111.1I436 L455 A456 V459 V462 D463 A464 S470 I471I436-L467 HydrophobicContact CG2-CD1 3.88Å; L455-L467 HydrophobicContact CD2-CD2 4.35Å; L455-L467 HydrophobicContact CG-CD2 4.22Å; A456-L467 HydrophobicContact CB-CD2 4.31Å; V459-L467 HydrophobicContact CB-CD2 4.48Å; V459-L467 HydrophobicContact CG2-CD1 4.18Å; V459-L467 HydrophobicContact CG2-CD2 4.5Å; V462-L467 HydrophobicContact CG1-CB 4.3Å; D463-L467 WeakPolarHBondContact O-CB 3.16Å; D463-L467 PolarHBondContact O-N 2.86Å; A464-L467 PolarHBondContact O-N 3Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 3.3Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.14Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.37Å; L467-I471 PolarHBondContact O-N 2.97Å
468E92.1Very high86.9Confident55 Ų5558.6 Ų58.626%0.25730%0.296SS..Hα-helixtrans-58.2-49.1174.5-168.9-175.5124.700111.3F452 A464 S470 I471 V472 I484 H486F452-E468 HydrophobicContact CE2-CB 4.19Å; F452-E468 HydrophobicContact CZ-CB 4.01Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.32Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 3.36Å; E468-I471 WeakPolarHBondContact O-CB 3.34Å; E468-I471 PolarHBondContact O-N 2.92Å; E468-V472 WeakPolarHBondContact O-CG2 3.46Å; E468-V472 PolarHBondContact O-N 2.83Å; E468-I484 HydrophobicContact CG-CD1 4.46Å; E468-H486 IonicContact OE1-CE1 3.47Å; E468-H486 PolarHBondContact OE1-CE1 2.99Å; E468-H486 IonicContact OE2-CE1 3.54Å
469R91.7Very high86.1Confident175 Ų17558.8 Ų58.866%0.6630%0.297SS*.Hα-helixtrans-55.5-45174.5179.5174.4176.7169.31112.3F465 I471 V472 D473F465-R469 WeakPolarHBondContact O-CB 3.21Å; F465-R469 PolarHBondContact O-N 3Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 3.32Å; R469-V472 PolarHBondContact O-N 3.32Å; R469-D473 WeakPolarHBondContact CG-OD2 3.29Å; R469-D473 IonicContact NE-OD2 3.16Å; R469-D473 WeakPolarHBondContact O-CB 3.1Å; R469-D473 PolarHBondContact O-N 2.95Å
470S89.4Confident85.8Confident35 Ų3559 Ų5925%0.24530%0.298CS..Hα-helixtrans-61.1-34.9177.7-56.80000112.6Q466 L467 E468 A474Q466-S470 WeakPolarHBondContact O-CB 3.35Å; Q466-S470 PolarHBondContact O-N 3.4Å; Q466-S470 PolarHBondContact O-OG 3.48Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 3.3Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 3.36Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 2.76Å
471I90.8Very high86.1Confident0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-70.3-43.5175.2-65.4159.9000110.8L440 F452 L455 L467 E468 R469 A475 L480 V482 I484 L491L440-I471 HydrophobicContact CD1-CB 4.5Å; L440-I471 HydrophobicContact CD1-CG1 3.66Å; L440-I471 HydrophobicContact CD2-CD1 4.24Å; L440-I471 HydrophobicContact CD2-CG1 3.76Å; L440-I471 HydrophobicContact CG-CG1 4.37Å; F452-I471 HydrophobicContact CE2-CD1 4.16Å; L455-I471 HydrophobicContact CD2-CD1 3.74Å; L467-I471 HydrophobicContact CD1-CD1 4.37Å; L467-I471 HydrophobicContact CG-CD1 4.16Å; L467-I471 WeakPolarHBondContact O-CD1 3.14Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.37Å; L467-I471 PolarHBondContact O-N 2.97Å; E468-I471 WeakPolarHBondContact O-CB 3.34Å; E468-I471 PolarHBondContact O-N 2.92Å; R469-I471 VanDerWaalsContact C-N 3.26Å; R469-I471 PolarHBondContact O-N 3.32Å; I471-A475 WeakPolarHBondContact O-CB 3.35Å; I471-A475 PolarHBondContact O-N 3.15Å; I471-L480 HydrophobicContact CG2-CD2 4.41Å; I471-V482 HydrophobicContact CG2-CG1 3.83Å; I471-V482 HydrophobicContact CG2-CG2 4.38Å; I471-I484 HydrophobicContact CG2-CD1 4.16Å; I471-L491 HydrophobicContact CD1-CD1 3.92Å
472V90.6Very high86.3Confident68 Ų6854.9 Ų54.941%0.41227%0.272SS..Hα-helixtrans-65.9-44178.9172.20000111.7E468 R469 A475 R476 I484E468-V472 WeakPolarHBondContact O-CG2 3.46Å; E468-V472 PolarHBondContact O-N 2.83Å; R469-V472 PolarHBondContact O-N 3.32Å; V472-A475 PolarHBondContact O-N 2.91Å; V472-R476 VanDerWaalsContact O-CB 3.3Å; V472-R476 WeakPolarHBondContact O-CB 3.33Å; V472-R476 PolarHBondContact O-N 2.8Å; V472-I484 HydrophobicContact CG2-CD1 3.78Å
473D86.3Confident86.5Confident59 Ų5960.4 Ų60.432%0.31629%0.29SS..Hα-helixtrans-63.9-43.3177.9-71-26.6000110.6R469 A475 R476 H477R469-D473 WeakPolarHBondContact CG-OD2 3.29Å; R469-D473 IonicContact NE-OD2 3.16Å; R469-D473 WeakPolarHBondContact O-CB 3.1Å; R469-D473 PolarHBondContact O-N 2.95Å; D473-A475 PolarHBondContact O-N 3.47Å; D473-R476 PolarHBondContact O-N 3.47Å; D473-H477 PolarHBondContact O-CD2 3.1Å; D473-H477 PolarHBondContact O-N 2.93Å; D473-H477 VanDerWaalsContact O-N 3.08Å
474A85.4Confident86.6Confident2 Ų259.2 Ų59.22%0.01728%0.283CS..Hα-helixtrans-62.5-40173.700000113.7L437 S470 C478 D479 L480L437-A474 HydrophobicContact CD1-CB 3.42Å; L437-A474 VanDerWaalsContact CD1-CB 3.42Å; S470-A474 WeakPolarHBondContact O-CB 3.33Å; S470-A474 PolarHBondContact O-N 2.76Å; A474-C478 PolarHBondContact O-N 3.47Å; A474-D479 PolarHBondContact O-N 3.31Å; A474-L480 HydrophobicContact CB-CB 4.19Å; A474-L480 HydrophobicContact CB-CD2 4.35Å
475A85.8Confident86.8Confident30 Ų3060.1 Ų60.125%0.24828%0.283CS..Hα-helixtrans-66.7-41.3175.900000111.7I471 V472 D473 C478 V482I471-A475 WeakPolarHBondContact O-CB 3.35Å; I471-A475 PolarHBondContact O-N 3.15Å; V472-A475 PolarHBondContact O-N 2.91Å; D473-A475 PolarHBondContact O-N 3.47Å; A475-C478 WeakPolarHBondContact O-CA 3.16Å; A475-C478 PolarHBondContact O-N 3.37Å; A475-C478 VanDerWaalsContact O-N 3.11Å; A475-V482 HydrophobicContact CB-CG1 3.81Å
476R83.4Confident86.9Confident158 Ų15858.1 Ų58.160%0.59628%0.276SS*.Hα-helixtrans-62.2-45.3178.8178.7-175.6-179134.71112.6D337 V472 D473 C478D337-R476 IonicContact OD2-CZ 3.75Å; D337-R476 IonicContact OD2-NE 3.95Å; D337-R476 PolarHBondContact OD2-NE 3.17Å; D337-R476 IonicContact OD2-NH2 3.89Å; D337-R476 PolarHBondContact OD2-NH2 3.04Å; V472-R476 VanDerWaalsContact O-CB 3.3Å; V472-R476 WeakPolarHBondContact O-CB 3.33Å; V472-R476 PolarHBondContact O-N 2.8Å; D473-R476 PolarHBondContact O-N 3.47Å; R476-C478 PolarHBondContact O-N 3.48Å
477H77.3Confident87.1Confident41 Ų4158.8 Ų58.819%0.1929%0.288CS..Hα-helixtrans-69.5-15.3176.8-67.3-54000112.9D473 D479 K502D473-H477 PolarHBondContact O-CD2 3.1Å; D473-H477 PolarHBondContact O-N 2.93Å; D473-H477 VanDerWaalsContact O-N 3.08Å; H477-D479 VanDerWaalsContact CB-OD2 3.26Å; H477-D479 WeakPolarHBondContact CB-OD2 3.28Å; H477-K502 PolarHBondContact O-NZ 2.97Å
478C65.1Low87.1Confident35 Ų3561.7 Ų61.724%0.23631%0.308CS..THydrogen-bonded Turntrans80.624-179.2-55.10000115A474 A475 R476 L480 Y499 K502A474-C478 PolarHBondContact O-N 3.47Å; A475-C478 WeakPolarHBondContact O-CA 3.16Å; A475-C478 PolarHBondContact O-N 3.37Å; A475-C478 VanDerWaalsContact O-N 3.11Å; R476-C478 PolarHBondContact O-N 3.48Å; C478-L480 VanDerWaalsContact C-N 3.31Å; C478-Y499 WeakPolarHBondContact CA-OH 3.5Å; C478-Y499 WeakPolarHBondContact CB-OH 3.44Å; C478-Y499 PolarHBondContact SG-OH 3.4Å; C478-K502 HydrophobicContact CB-CD 3.98Å; C478-K502 VanDerWaalsContact CB-CE 3.43Å; C478-K502 HydrophobicContact CB-CG 4.5Å; C478-K502 VanDerWaalsContact CB-NZ 3.32Å; C478-K502 WeakPolarHBondContact SG-CE 3.27Å; C478-K502 PolarHBondContact SG-NZ 3.18Å
479D70.4Confident87.2Confident17 Ų1767.9 Ų67.99%0.09133%0.329CS..SBendtrans-82.7-10.3177.1-54.8-50.6000112.6T332 A474 H477 P506T332-D479 VanDerWaalsContact CG2-OD2 3.27Å; T332-D479 WeakPolarHBondContact CG2-OD2 3.46Å; A474-D479 PolarHBondContact O-N 3.31Å; H477-D479 VanDerWaalsContact CB-OD2 3.26Å; H477-D479 WeakPolarHBondContact CB-OD2 3.28Å; D479-P506 HydrophobicContact CB-CG 3.95Å; D479-P506 VanDerWaalsContact OD1-CD 3.22Å; D479-P506 WeakPolarHBondContact OD1-CD 3.46Å; D479-P506 WeakPolarHBondContact OD1-CG 3.47Å
480L83Confident87.3Confident9 Ų961.1 Ų61.15%0.04731%0.307CS..  trans-145.3127.7-175.5-169.767.2000111.8L440 A444 I471 A474 C478 V482 F493L440-L480 HydrophobicContact CB-CD1 4.29Å; L440-L480 HydrophobicContact CB-CD2 3.98Å; L440-L480 HydrophobicContact CD1-CD2 4.16Å; L440-L480 HydrophobicContact CD2-CD2 4.46Å; L440-L480 HydrophobicContact CG-CD2 4.43Å; A444-L480 HydrophobicContact CB-CD1 3.75Å; I471-L480 HydrophobicContact CG2-CD2 4.41Å; A474-L480 HydrophobicContact CB-CB 4.19Å; A474-L480 HydrophobicContact CB-CD2 4.35Å; C478-L480 VanDerWaalsContact C-N 3.31Å; L480-V482 HydrophobicContact CD2-CB 4.29Å; L480-V482 HydrophobicContact CD2-CG1 3.88Å; L480-V482 HydrophobicContact CG-CB 4.24Å; L480-V482 HydrophobicContact CG-CG1 4.07Å; L480-V482 PolarHBondContact O-N 3.48Å; L480-F493 HydrophobicContact CD1-CD1 4.43Å; L480-F493 HydrophobicContact CD1-CE1 4.26Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L480-F493 HydrophobicContact CG-CE1 4.42Å
481Q87.2Confident87.5Confident20 Ų2059.5 Ų59.59%0.09330%0.296CS..  trans-91.589.3174.3-66.2-17835.300110.4F493 G494 Y499 S516Q481-F493 VanDerWaalsContact O-CA 3.29Å; Q481-F493 WeakPolarHBondContact O-CA 3.48Å; Q481-G494 PolarHBondContact O-N 3.04Å; Q481-Y499 VanDerWaalsContact CD-CD1 3.43Å; Q481-Y499 HydrophobicContact CG-CD1 3.52Å; Q481-Y499 HydrophobicContact CG-CD2 4.25Å; Q481-Y499 HydrophobicContact CG-CE1 3.62Å; Q481-Y499 HydrophobicContact CG-CE2 4.34Å; Q481-Y499 HydrophobicContact CG-CG 3.83Å; Q481-S516 PolarHBondContact NE2-OG 3.26Å; Q481-S516 VanDerWaalsContact NE2-OG 3.15Å; Q481-S516 PolarHBondContact OE1-OG 2.93Å
482V90.8Very high87.6Confident24 Ų2461.1 Ų61.115%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-133.9146.8-177.264.50000112.3I471 A475 L480 L491 S492 F493I471-V482 HydrophobicContact CG2-CG1 3.83Å; I471-V482 HydrophobicContact CG2-CG2 4.38Å; A475-V482 HydrophobicContact CB-CG1 3.81Å; L480-V482 HydrophobicContact CD2-CB 4.29Å; L480-V482 HydrophobicContact CD2-CG1 3.88Å; L480-V482 HydrophobicContact CG-CB 4.24Å; L480-V482 HydrophobicContact CG-CG1 4.07Å; L480-V482 PolarHBondContact O-N 3.48Å; V482-L491 HydrophobicContact CG2-CB 4.2Å; V482-L491 HydrophobicContact CG2-CD2 4.28Å; V482-S492 CarbonylContact C-O 3.48Å; V482-S492 WeakPolarHBondContact CA-O 3.36Å; V482-F493 HydrophobicContact CB-CD1 3.75Å; V482-F493 HydrophobicContact CB-CE1 3.82Å; V482-F493 HydrophobicContact CG2-CD1 3.77Å; V482-F493 HydrophobicContact CG2-CE1 3.58Å; V482-F493 HydrophobicContact CG2-CZ 4.3Å
483R90.5Very high87.7Confident145 Ų14558 Ų5855%0.54729%0.288SS..EExtended strand (participates in β ladder)trans-121.2137.1165.5-64.7-174.7177.6-164.90.8108.9S492 D496R483-S492 PolarHBondContact N-O 3.22Å; R483-S492 PolarHBondContact O-N 3.46Å; R483-D496 IonicContact CZ-OD2 3.76Å; R483-D496 IonicContact NH2-OD2 2.69Å; R483-D496 PolarHBondContact NH2-OD2 2.98Å
484I93.6Very high87.5Confident56 Ų5655.5 Ų55.529%0.28728%0.276SS..EExtended strand (participates in β ladder)trans-104.8128.9-179-48.9-176.7000108.3E468 I471 V472 L491E468-I484 HydrophobicContact CG-CD1 4.46Å; I471-I484 HydrophobicContact CG2-CD1 4.16Å; V472-I484 HydrophobicContact CG2-CD1 3.78Å; I484-L491 HydrophobicContact CB-CD2 4.16Å; I484-L491 HydrophobicContact CD1-CD2 4.38Å; I484-L491 HydrophobicContact CG1-CD2 3.74Å; I484-L491 HydrophobicContact CG2-CD2 3.96Å
485D94.3Very high87.5Confident57 Ų5758 Ų5831%0.30529%0.294SS..EExtended strand (participates in β ladder)trans-120.2109.8169.117228.9000110.4T487 S488 R489 T490D485-T487 VanDerWaalsContact C-N 3.29Å; D485-T487 VanDerWaalsContact CG-OG1 3.25Å; D485-T487 PolarHBondContact O-N 3.38Å; D485-T487 WeakPolarHBondContact OD1-CB 3.27Å; D485-T487 PolarHBondContact OD1-N 3.01Å; D485-T487 PolarHBondContact OD1-OG1 2.94Å; D485-T487 PolarHBondContact OD2-OG1 2.92Å; D485-T487 VanDerWaalsContact OD2-OG1 3.05Å; D485-S488 WeakPolarHBondContact OD2-CB 3.38Å; D485-S488 PolarHBondContact OD2-N 3.41Å; D485-S488 PolarHBondContact OD2-OG 3.38Å; D485-R489 CarbonylContact O-C 3.59Å; D485-R489 WeakPolarHBondContact O-CA 3.45Å; D485-R489 PolarHBondContact O-N 2.94Å; D485-T490 PolarHBondContact N-O 3.5Å; D485-T490 PolarHBondContact O-N 2.76Å
486H94.6Very high87.4Confident116 Ų11659.1 Ų59.154%0.53730%0.295SS..THydrogen-bonded Turntrans-75.5-15.1178.3-58.6-94.8000113.2E468E468-H486 IonicContact OE1-CE1 3.47Å; E468-H486 PolarHBondContact OE1-CE1 2.99Å; E468-H486 IonicContact OE2-CE1 3.54Å
487T95Very high87.4Confident131 Ų13156.1 Ų56.180%0.80429%0.291SS*.THydrogen-bonded Turntrans-76.8-49.6-179.869.60000111.4D485 R489D485-T487 VanDerWaalsContact C-N 3.29Å; D485-T487 VanDerWaalsContact CG-OG1 3.25Å; D485-T487 PolarHBondContact O-N 3.38Å; D485-T487 WeakPolarHBondContact OD1-CB 3.27Å; D485-T487 PolarHBondContact OD1-N 3.01Å; D485-T487 PolarHBondContact OD1-OG1 2.94Å; D485-T487 PolarHBondContact OD2-OG1 2.92Å; D485-T487 VanDerWaalsContact OD2-OG1 3.05Å; T487-R489 VanDerWaalsContact C-N 3.34Å
488S92.9Very high87.8Confident63 Ų6361.5 Ų61.544%0.44132%0.321SS..THydrogen-bonded Turntrans-81-12.3168.165.40000113.8D485 T490D485-S488 WeakPolarHBondContact OD2-CB 3.38Å; D485-S488 PolarHBondContact OD2-N 3.41Å; D485-S488 PolarHBondContact OD2-OG 3.38Å; S488-T490 VanDerWaalsContact C-N 3.32Å; S488-T490 WeakPolarHBondContact OG-CG2 3.44Å; S488-T490 PolarHBondContact OG-N 3.31Å; S488-T490 PolarHBondContact OG-OG1 3.32Å
489R93Very high88.6Confident185 Ų18562.5 Ų62.570%0.69832%0.32SS*.THydrogen-bonded Turntrans56.842.1-169.3-57.7-178.8174.8-172.2-2.6112.6F452 D485 T487F452-R489 VanDerWaalsContact CB-O 3.32Å; F452-R489 WeakPolarHBondContact CB-O 3.29Å; F452-R489 PolarHBondContact N-O 3.17Å; D485-R489 CarbonylContact O-C 3.59Å; D485-R489 WeakPolarHBondContact O-CA 3.45Å; D485-R489 PolarHBondContact O-N 2.94Å; T487-R489 VanDerWaalsContact C-N 3.34Å
490T94.8Very high89Confident33 Ų3364.6 Ų64.620%0.20234%0.336CS..EExtended strand (participates in β ladder)trans-114.7155.517965.60000113I450 D485 S488I450-T490 WeakPolarHBondContact O-CA 3.42Å; D485-T490 PolarHBondContact N-O 3.5Å; D485-T490 PolarHBondContact O-N 2.76Å; S488-T490 VanDerWaalsContact C-N 3.32Å; S488-T490 WeakPolarHBondContact OG-CG2 3.44Å; S488-T490 PolarHBondContact OG-N 3.31Å; S488-T490 PolarHBondContact OG-OG1 3.32Å
491L93.9Very high88.6Confident0 Ų065.7 Ų65.70%034%0.343CS..EExtended strand (participates in β ladder)trans-110128.9167.6-59.6171.6000107.5S449 I450 F452 L455 I471 V482 I484 F493S449-L491 CarbonylContact C-O 3.48Å; S449-L491 VanDerWaalsContact CA-O 3.24Å; S449-L491 WeakPolarHBondContact CA-O 3.45Å; I450-L491 HydrophobicContact CG2-CB 3.99Å; I450-L491 HydrophobicContact CG2-CD1 4.3Å; I450-L491 PolarHBondContact N-O 3.43Å; I450-L491 PolarHBondContact O-N 2.89Å; F452-L491 HydrophobicContact CD2-CD1 4.16Å; F452-L491 HydrophobicContact CD2-CD2 4.39Å; F452-L491 HydrophobicContact CD2-CG 4.34Å; L455-L491 HydrophobicContact CD2-CD1 3.43Å; L455-L491 VanDerWaalsContact CD2-CD1 3.43Å; I471-L491 HydrophobicContact CD1-CD1 3.92Å; V482-L491 HydrophobicContact CG2-CB 4.2Å; V482-L491 HydrophobicContact CG2-CD2 4.28Å; I484-L491 HydrophobicContact CB-CD2 4.16Å; I484-L491 HydrophobicContact CD1-CD2 4.38Å; I484-L491 HydrophobicContact CG1-CD2 3.74Å; I484-L491 HydrophobicContact CG2-CD2 3.96Å; L491-F493 HydrophobicContact CB-CE2 4.36Å; L491-F493 HydrophobicContact CB-CZ 4.32Å
492S92.3Very high87.8Confident35 Ų3568.6 Ų68.625%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-114.1124.5175.8-62.90000110.2Q448 V482 R483 S495Q448-S492 CarbonylContact O-C 3.56Å; Q448-S492 WeakPolarHBondContact O-CA 3.01Å; V482-S492 CarbonylContact C-O 3.48Å; V482-S492 WeakPolarHBondContact CA-O 3.36Å; R483-S492 PolarHBondContact N-O 3.22Å; R483-S492 PolarHBondContact O-N 3.46Å; S492-S495 WeakPolarHBondContact CB-OG 3.44Å
493F91.4Very high86.7Confident3 Ų377.1 Ų77.11%0.01339%0.394CS..EExtended strand (participates in β ladder)trans-103.3146.6-178.1-59.4-77.2000111.5V443 A444 Y447 Q448 I450 L480 Q481 V482 L491 S495 M514V443-F493 HydrophobicContact CG1-CE2 3.86Å; V443-F493 HydrophobicContact CG1-CZ 4.19Å; A444-F493 HydrophobicContact CB-CB 4.17Å; A444-F493 HydrophobicContact CB-CD1 3.51Å; A444-F493 HydrophobicContact CB-CD2 4.47Å; A444-F493 HydrophobicContact CB-CE1 3.95Å; A444-F493 HydrophobicContact CB-CG 3.81Å; Y447-F493 WeakPolarHBondContact O-CB 3.44Å; Y447-F493 VanDerWaalsContact O-CD2 3.26Å; Y447-F493 WeakPolarHBondContact O-CD2 3.41Å; Q448-F493 PolarHBondContact O-N 3.49Å; I450-F493 HydrophobicContact CG2-CE2 3.76Å; I450-F493 HydrophobicContact CG2-CZ 4.46Å; L480-F493 HydrophobicContact CD1-CD1 4.43Å; L480-F493 HydrophobicContact CD1-CE1 4.26Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L480-F493 HydrophobicContact CG-CE1 4.42Å; Q481-F493 VanDerWaalsContact O-CA 3.29Å; Q481-F493 WeakPolarHBondContact O-CA 3.48Å; V482-F493 HydrophobicContact CB-CD1 3.75Å; V482-F493 HydrophobicContact CB-CE1 3.82Å; V482-F493 HydrophobicContact CG2-CD1 3.77Å; V482-F493 HydrophobicContact CG2-CE1 3.58Å; V482-F493 HydrophobicContact CG2-CZ 4.3Å; L491-F493 HydrophobicContact CB-CE2 4.36Å; L491-F493 HydrophobicContact CB-CZ 4.32Å; F493-S495 PolarHBondContact O-N 3.02Å; F493-S495 PolarHBondContact O-OG 2.94Å; F493-M514 HydrophobicContact CB-CE 4.25Å
494G83.4Confident85.4Confident5 Ų573.8 Ų73.85%0.05239%0.387CS..SBendtrans60.413.8172.400000115.8Q481 D496Q481-G494 PolarHBondContact O-N 3.04Å; G494-D496 PolarHBondContact O-N 3.34Å
495S84.6Confident84.2Confident56 Ų5673.7 Ų73.739%0.39239%0.391SS..  trans-71.3-10.5-175.3-31.10000113.5S492 F493S492-S495 WeakPolarHBondContact CB-OG 3.44Å; F493-S495 PolarHBondContact O-N 3.02Å; F493-S495 PolarHBondContact O-OG 2.94Å
496D83.1Confident82.8Confident53 Ų5371.6 Ų71.628%0.28338%0.381SS..  trans-105.998.5-179.3-159.3-37000110.2R483 G494 N498 Y499R483-D496 IonicContact CZ-OD2 3.76Å; R483-D496 IonicContact NH2-OD2 2.69Å; R483-D496 PolarHBondContact NH2-OD2 2.98Å; G494-D496 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact OD1-N 2.96Å; D496-Y499 WeakPolarHBondContact O-CB 3.22Å; D496-Y499 PolarHBondContact O-N 3.41Å
497L84.4Confident81.4Confident95 Ų9570.8 Ų70.850%0.49738%0.384SS..THydrogen-bonded Turntrans-69.4-17.6-176-56.2-178.9000113.1Y499 P515 I519L497-Y499 VanDerWaalsContact C-N 3.34Å; L497-P515 HydrophobicContact CD2-CB 3.97Å; L497-I519 HydrophobicContact CB-CD1 4.14Å; L497-I519 HydrophobicContact CD1-CD1 4.11Å; L497-I519 HydrophobicContact CD2-CD1 3.97Å; L497-I519 HydrophobicContact CG-CD1 4.29Å
498N85.3Confident80.4Confident154 Ų15465.6 Ų65.682%0.82436%0.356SS*.THydrogen-bonded Turntrans-88.9-0.8-178.4-66.9-23.8000113.1D496 S500D496-N498 PolarHBondContact O-N 3.34Å; D496-N498 PolarHBondContact OD1-N 2.96Å; N498-S500 PolarHBondContact O-N 3.01Å
499Y82.9Confident79.6Confident56 Ų5663.2 Ų63.222%0.2234%0.339CS..  trans-66.4125.9-174.2-163.5-84.7000112.4C478 Q481 D496 L497 T501C478-Y499 WeakPolarHBondContact CA-OH 3.5Å; C478-Y499 WeakPolarHBondContact CB-OH 3.44Å; C478-Y499 PolarHBondContact SG-OH 3.4Å; Q481-Y499 VanDerWaalsContact CD-CD1 3.43Å; Q481-Y499 HydrophobicContact CG-CD1 3.52Å; Q481-Y499 HydrophobicContact CG-CD2 4.25Å; Q481-Y499 HydrophobicContact CG-CE1 3.62Å; Q481-Y499 HydrophobicContact CG-CE2 4.34Å; Q481-Y499 HydrophobicContact CG-CG 3.83Å; D496-Y499 WeakPolarHBondContact O-CB 3.22Å; D496-Y499 PolarHBondContact O-N 3.41Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; Y499-T501 HydrophobicContact CD1-CG2 4.41Å; Y499-T501 HydrophobicContact CE1-CG2 4.47Å
500S78.9Confident79.1Confident61 Ų6160.7 Ų60.743%0.42733%0.333SS..  trans-91.8113.6170.3-171.60000110.2N498 R520N498-S500 PolarHBondContact O-N 3.01Å; S500-R520 PolarHBondContact OG-NH1 3.38Å; S500-R520 PolarHBondContact OG-NH2 3.01Å
501T74.2Confident78.6Confident31 Ų3164.1 Ų64.119%0.1935%0.35CS..  trans-62.4153.7163.245.60000111.1Y499 E517Y499-T501 HydrophobicContact CD1-CG2 4.41Å; Y499-T501 HydrophobicContact CE1-CG2 4.47Å; T501-E517 VanDerWaalsContact CB-OE1 3.29Å; T501-E517 WeakPolarHBondContact CB-OE1 3.44Å; T501-E517 HydrophobicContact CG2-CG 3.9Å; T501-E517 WeakPolarHBondContact CG2-OE1 3.28Å; T501-E517 PolarHBondContact OG1-OE1 3.38Å
502K70.7Confident78.2Confident81 Ų8168.7 Ų68.735%0.35237%0.371SS..  trans-102.5159.2179.9-61.7177.6-171.6162.90110H477 C478 D504 S505H477-K502 PolarHBondContact O-NZ 2.97Å; C478-K502 HydrophobicContact CB-CD 3.98Å; C478-K502 VanDerWaalsContact CB-CE 3.43Å; C478-K502 HydrophobicContact CB-CG 4.5Å; C478-K502 VanDerWaalsContact CB-NZ 3.32Å; C478-K502 WeakPolarHBondContact SG-CE 3.27Å; C478-K502 PolarHBondContact SG-NZ 3.18Å; K502-D504 PolarHBondContact O-N 2.96Å; K502-S505 WeakPolarHBondContact O-CB 3.42Å; K502-S505 PolarHBondContact O-N 2.74Å
503E67Low77.8Confident204 Ų20469.8 Ų69.895%0.95337%0.374SS*.THydrogen-bonded Turntrans-62.8-25.1177.8-59.2-178.3158.600113.1S505E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 3.46Å
504D64Low77.4Confident75 Ų7571 Ų7140%0.40138%0.38SS..THydrogen-bonded Turntrans-76.60.1178.4-61-35.6000114.8R335 K502R335-D504 IonicContact CZ-OD2 2.65Å; R335-D504 IonicContact NE-OD2 3.73Å; R335-D504 PolarHBondContact NE-OD2 3.43Å; R335-D504 IonicContact NH2-OD2 3.42Å; R335-D504 PolarHBondContact NH2-OD2 3.41Å; K502-D504 PolarHBondContact O-N 2.96Å
505S66.8Low77.6Confident54 Ų5473.2 Ų73.238%0.37839%0.394SS..  trans-50.4122.3-170.3-171.40000112.5K502 E503 V507K502-S505 WeakPolarHBondContact O-CB 3.42Å; K502-S505 PolarHBondContact O-N 2.74Å; E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 3.46Å; S505-V507 PolarHBondContact O-N 3.17Å
506P65.4Low77.6Confident13 Ų1370.7 Ų70.78%0.08438%0.376CS..  trans-77.191.1-162.6-15.429.9000113.4I331 R438 Q441 D479 G508I331-P506 HydrophobicContact CG2-CB 3.34Å; I331-P506 HydrophobicContact CG2-CG 4.16Å; R438-P506 PolarHBondContact NH1-O 3.08Å; R438-P506 VanDerWaalsContact NH1-O 3.08Å; Q441-P506 PolarHBondContact NE2-O 2.52Å; D479-P506 HydrophobicContact CB-CG 3.95Å; D479-P506 VanDerWaalsContact OD1-CD 3.22Å; D479-P506 WeakPolarHBondContact OD1-CD 3.46Å; D479-P506 WeakPolarHBondContact OD1-CG 3.47Å; P506-G508 PolarHBondContact O-N 3.45Å
507V65.9Low77.6Confident99 Ų9969.9 Ų69.960%0.637%0.371SS*.  trans-46.1134178.4-171.20000111.4R438 S505R438-V507 PolarHBondContact NH1-O 3.07Å; R438-V507 VanDerWaalsContact NH1-O 3.1Å; R438-V507 PolarHBondContact NH2-O 3.17Å; S505-V507 PolarHBondContact O-N 3.17Å
508G72.9Confident77.7Confident21 Ų2170 Ų7022%0.21637%0.369CS..  trans-156.7-162.117600000109.4P506 F510P506-G508 PolarHBondContact O-N 3.45Å; G508-F510 PolarHBondContact O-N 3.28Å; G508-F510 VanDerWaalsContact O-N 3.12Å
509P77.2Confident77.9Confident14 Ų1466.2 Ų66.29%0.09135%0.348CS..SBendtrans-60.9119.1175.625.5-33.3000110.1F398 Q442 Q445F398-P509 HydrophobicContact CB-CB 4.32Å; F398-P509 HydrophobicContact CD2-CB 4.29Å; F398-P509 WeakPolarHBondContact CD2-O 2.94Å; Q442-P509 HydrophobicContact CG-CG 4.3Å; Q445-P509 PolarHBondContact NE2-O 2.81Å
510F81.9Confident78Confident131 Ų13170.6 Ų70.658%0.57536%0.364SS*.  trans-120.3126.2-168.5171.6-88.6000110.3G508 Q512 N513G508-F510 PolarHBondContact O-N 3.28Å; G508-F510 VanDerWaalsContact O-N 3.12Å; F510-Q512 VanDerWaalsContact CZ-C 3.48Å; F510-N513 WeakPolarHBondContact CE2-OD1 3.4Å; F510-N513 WeakPolarHBondContact CZ-OD1 3.25Å
511L84.9Confident78.5Confident106 Ų10670.7 Ų70.756%0.55536%0.36SS*.  trans-108.3-47.9177.2179.764.8000111.7F398F398-L511 HydrophobicContact CD1-CB 4.13Å; F398-L511 HydrophobicContact CD1-CD2 3.99Å; F398-L511 HydrophobicContact CD2-CB 4.25Å; F398-L511 HydrophobicContact CE1-CB 3.81Å; F398-L511 HydrophobicContact CE1-CD2 3.4Å; F398-L511 VanDerWaalsContact CE1-CD2 3.4Å; F398-L511 HydrophobicContact CE1-CG 4.21Å; F398-L511 HydrophobicContact CE2-CB 3.94Å; F398-L511 HydrophobicContact CG-CB 4.34Å; F398-L511 HydrophobicContact CZ-CB 3.72Å; F398-L511 HydrophobicContact CZ-CD2 3.96Å; F398-L511 HydrophobicContact CZ-CG 4.5Å
512Q84.3Confident79.4Confident95 Ų9573.9 Ų73.944%0.44437%0.373SS..  trans-156.2151.6-178.761-178.5-1.400113.6Q445 F510Q445-Q512 WeakPolarHBondContact O-CG 3.44Å; Q445-Q512 PolarHBondContact O-NE2 3.09Å; F510-Q512 VanDerWaalsContact CZ-C 3.48Å
513N83.9Confident80.6Confident58 Ų5876 Ų7631%0.3139%0.387SS..  trans-66.9150.2174.4-78.5-14.9000111.7F510 E517 Q518F510-N513 WeakPolarHBondContact CE2-OD1 3.4Å; F510-N513 WeakPolarHBondContact CZ-OD1 3.25Å; N513-E517 HydrophobicContact CB-CB 4.08Å; N513-Q518 HydrophobicContact CB-CG 3.83Å; N513-Q518 PolarHBondContact O-NE2 2.82Å
514M84.1Confident81.9Confident28 Ų2870.4 Ų70.414%0.13837%0.367CS..  trans-67154.1169.2-60.3-55.2-64.300111.2A444 F493 S516 E517 Q518A444-M514 WeakPolarHBondContact O-CE 3.08Å; F493-M514 HydrophobicContact CB-CE 4.25Å; M514-S516 VanDerWaalsContact C-N 3.27Å; M514-S516 PolarHBondContact O-N 3.17Å; M514-S516 VanDerWaalsContact O-N 3.16Å; M514-E517 PolarHBondContact O-N 2.83Å; M514-Q518 WeakPolarHBondContact O-CG 3.41Å; M514-Q518 PolarHBondContact O-N 3.38Å
515P86.9Confident83.2Confident52 Ų5269.7 Ų69.734%0.33837%0.371SS..Hα-helixtrans-54.7-36.4-177.3-29.336.7000115L497 Q518 I519L497-P515 HydrophobicContact CD2-CB 3.97Å; P515-Q518 PolarHBondContact O-N 2.81Å; P515-I519 WeakPolarHBondContact O-CG1 3.47Å; P515-I519 PolarHBondContact O-N 2.98Å
516S85.6Confident84.6Confident4 Ų472.5 Ų72.53%0.02838%0.38CS..Hα-helixtrans-61-41.7174.447.30000112.7Q481 M514 R520Q481-S516 PolarHBondContact NE2-OG 3.26Å; Q481-S516 VanDerWaalsContact NE2-OG 3.15Å; Q481-S516 PolarHBondContact OE1-OG 2.93Å; M514-S516 VanDerWaalsContact C-N 3.27Å; M514-S516 PolarHBondContact O-N 3.17Å; M514-S516 VanDerWaalsContact O-N 3.16Å; S516-R520 WeakPolarHBondContact O-CB 3.44Å; S516-R520 PolarHBondContact O-N 3.13Å
517E83.3Confident86.1Confident36 Ų3675.3 Ų75.317%0.16840%0.399CS..Hα-helixtrans-74-33.8175.3-65.3-173.112400113T501 N513 M514 R520 N521T501-E517 VanDerWaalsContact CB-OE1 3.29Å; T501-E517 WeakPolarHBondContact CB-OE1 3.44Å; T501-E517 HydrophobicContact CG2-CG 3.9Å; T501-E517 WeakPolarHBondContact CG2-OE1 3.28Å; T501-E517 PolarHBondContact OG1-OE1 3.38Å; N513-E517 HydrophobicContact CB-CB 4.08Å; M514-E517 PolarHBondContact O-N 2.83Å; E517-R520 PolarHBondContact O-N 3.16Å; E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 2.84Å; E517-N521 PolarHBondContact O-ND2 3.05Å
518Q86.2Confident87.5Confident97 Ų9772.9 Ų72.945%0.45339%0.39SS..Hα-helixtrans-60.2-47.4172.6-65.4-178.822.400110.5N513 M514 P515 Q522N513-Q518 HydrophobicContact CB-CG 3.83Å; N513-Q518 PolarHBondContact O-NE2 2.82Å; M514-Q518 WeakPolarHBondContact O-CG 3.41Å; M514-Q518 PolarHBondContact O-N 3.38Å; P515-Q518 PolarHBondContact O-N 2.81Å; Q518-Q522 WeakPolarHBondContact O-CA 3.4Å; Q518-Q522 WeakPolarHBondContact O-CB 3.22Å; Q518-Q522 PolarHBondContact O-N 2.9Å
519I88.4Confident88.6Confident75 Ų7575.2 Ų75.239%0.38540%0.403SS..Hα-helixtrans-64.2-44176-66.2166.3000111.1L497 P515 N521 Q522L497-I519 HydrophobicContact CB-CD1 4.14Å; L497-I519 HydrophobicContact CD1-CD1 4.11Å; L497-I519 HydrophobicContact CD2-CD1 3.97Å; L497-I519 HydrophobicContact CG-CD1 4.29Å; P515-I519 WeakPolarHBondContact O-CG1 3.47Å; P515-I519 PolarHBondContact O-N 2.98Å; I519-N521 PolarHBondContact O-N 3.11Å; I519-Q522 VanDerWaalsContact O-CD 3.28Å; I519-Q522 WeakPolarHBondContact O-CG 3.34Å; I519-Q522 PolarHBondContact O-N 3.37Å; I519-Q522 PolarHBondContact O-NE2 3.29Å
520R86.8Confident89.5Confident148 Ų14879.7 Ų79.756%0.55843%0.425SS*.Hα-helixtrans-60.4-43.9179-170.3-170.9-170.6114.5-13.1112.4S500 S516 E517S500-R520 PolarHBondContact OG-NH1 3.38Å; S500-R520 PolarHBondContact OG-NH2 3.01Å; S516-R520 WeakPolarHBondContact O-CB 3.44Å; S516-R520 PolarHBondContact O-N 3.13Å; E517-R520 PolarHBondContact O-N 3.16Å
521N89.3Confident90.1Very high63 Ų6375.5 Ų75.534%0.33742%0.415SS..Hα-helixtrans-94.42.8-174.9-63.4-29.7000113.2E517 I519 L523 T524 A525E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 2.84Å; E517-N521 PolarHBondContact O-ND2 3.05Å; I519-N521 PolarHBondContact O-N 3.11Å; N521-L523 VanDerWaalsContact C-N 3.28Å; N521-L523 PolarHBondContact O-N 2.76Å; N521-L523 VanDerWaalsContact O-N 3.16Å; N521-T524 PolarHBondContact O-N 2.79Å; N521-T524 PolarHBondContact O-OG1 3.13Å; N521-A525 PolarHBondContact O-N 3.41Å
522Q92.8Very high90.6Very high98 Ų9877.1 Ų77.146%0.45842%0.418SS..Hα-helixtrans-53.4-42.5-173.771.5-167.9-53.300113.1Q518 I519 T524 A525 M526Q518-Q522 WeakPolarHBondContact O-CA 3.4Å; Q518-Q522 WeakPolarHBondContact O-CB 3.22Å; Q518-Q522 PolarHBondContact O-N 2.9Å; I519-Q522 VanDerWaalsContact O-CD 3.28Å; I519-Q522 WeakPolarHBondContact O-CG 3.34Å; I519-Q522 PolarHBondContact O-N 3.37Å; I519-Q522 PolarHBondContact O-NE2 3.29Å; Q522-T524 VanDerWaalsContact C-N 3.34Å; Q522-T524 PolarHBondContact O-N 3.42Å; Q522-A525 PolarHBondContact O-N 3.42Å; Q522-M526 WeakPolarHBondContact O-CB 3.39Å; Q522-M526 VanDerWaalsContact O-CG 3.24Å; Q522-M526 WeakPolarHBondContact O-CG 3.44Å; Q522-M526 PolarHBondContact O-N 3.2Å
523L94.4Very high91.1Very high125 Ų12574.7 Ų74.765%0.65441%0.413SS*.Hα-helixtrans-70.2-29.8-178.8-62.4-180000112.7N521 M526 S527N521-L523 VanDerWaalsContact C-N 3.28Å; N521-L523 PolarHBondContact O-N 2.76Å; N521-L523 VanDerWaalsContact O-N 3.16Å; L523-M526 HydrophobicContact CD2-SD 4.4Å; L523-S527 VanDerWaalsContact O-CB 3.32Å; L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 3.39Å; L523-S527 PolarHBondContact O-OG 3.3Å; L523-S527 VanDerWaalsContact O-OG 3.13Å
524T94.6Very high91.4Very high87 Ų8775.9 Ų75.953%0.53442%0.419SS..Hα-helixtrans-79.1-34.1175.367.40000111.4N521 Q522 S527 A528N521-T524 PolarHBondContact O-N 2.79Å; N521-T524 PolarHBondContact O-OG1 3.13Å; Q522-T524 VanDerWaalsContact C-N 3.34Å; Q522-T524 PolarHBondContact O-N 3.42Å; T524-S527 PolarHBondContact O-OG 2.83Å; T524-A528 WeakPolarHBondContact O-CB 3.45Å; T524-A528 PolarHBondContact O-N 2.93Å
525A92.6Very high91.7Very high59 Ų5981.2 Ų81.249%0.48844%0.444SS..Hα-helixtrans-64.4-47.5170.500000111.1N521 Q522 A528 S529N521-A525 PolarHBondContact O-N 3.41Å; Q522-A525 PolarHBondContact O-N 3.42Å; A525-A528 PolarHBondContact O-N 3.09Å; A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 3.2Å; A525-S529 PolarHBondContact O-OG 2.78Å
526M95.7Very high92Very high114 Ų11484.6 Ų84.656%0.56246%0.463SS*.Hα-helixtrans-60.1-48.9175.8-74.2175.271.200112Q522 L523 S529 L530Q522-M526 WeakPolarHBondContact O-CB 3.39Å; Q522-M526 VanDerWaalsContact O-CG 3.24Å; Q522-M526 WeakPolarHBondContact O-CG 3.44Å; Q522-M526 PolarHBondContact O-N 3.2Å; L523-M526 HydrophobicContact CD2-SD 4.4Å; M526-S529 WeakPolarHBondContact CA-OG 3.32Å; M526-S529 PolarHBondContact O-N 3.05Å; M526-S529 PolarHBondContact O-OG 2.65Å; M526-L530 WeakPolarHBondContact O-CB 3.25Å; M526-L530 PolarHBondContact O-N 3.2Å
527S96.3Very high92.4Very high71 Ų7190.3 Ų90.350%0.49749%0.492SS..Hα-helixtrans-66.6-38.5179.969.60000112.1L523 T524 L530 A531L523-S527 VanDerWaalsContact O-CB 3.32Å; L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 3.39Å; L523-S527 PolarHBondContact O-OG 3.3Å; L523-S527 VanDerWaalsContact O-OG 3.13Å; T524-S527 PolarHBondContact O-OG 2.83Å; S527-L530 PolarHBondContact O-N 3.19Å; S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.73Å
528A96Very high92.5Very high48 Ų4894.8 Ų94.840%0.39751%0.511SS..Hα-helixtrans-68.1-38.6175.200000112.8T524 A525 K532T524-A528 WeakPolarHBondContact O-CB 3.45Å; T524-A528 PolarHBondContact O-N 2.93Å; A525-A528 PolarHBondContact O-N 3.09Å; A528-K532 WeakPolarHBondContact O-CB 3.45Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.36Å; A528-K532 PolarHBondContact O-N 2.88Å; A528-K532 VanDerWaalsContact O-N 3.07Å
529S95.7Very high92.7Very high70 Ų7092 Ų9249%0.4950%0.502SS..Hα-helixtrans-70.1-39.4174.756.60000112.3A525 M526 K532 A533A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 3.2Å; A525-S529 PolarHBondContact O-OG 2.78Å; M526-S529 WeakPolarHBondContact CA-OG 3.32Å; M526-S529 PolarHBondContact O-N 3.05Å; M526-S529 PolarHBondContact O-OG 2.65Å; S529-K532 PolarHBondContact O-N 2.91Å; S529-A533 WeakPolarHBondContact O-CB 3.34Å; S529-A533 PolarHBondContact O-N 3.22Å
530L95.3Very high92.7Very high108 Ų10891.6 Ų91.657%0.56551%0.509SS*.Hα-helixtrans-69-41.1177.3-177.8149.8000111.2M526 S527 K532 A533 I534M526-L530 WeakPolarHBondContact O-CB 3.25Å; M526-L530 PolarHBondContact O-N 3.2Å; S527-L530 PolarHBondContact O-N 3.19Å; L530-K532 PolarHBondContact O-N 3.42Å; L530-A533 WeakPolarHBondContact O-CB 3.44Å; L530-A533 PolarHBondContact O-N 2.99Å; L530-I534 HydrophobicContact CD2-CD1 3.58Å; L530-I534 HydrophobicContact CD2-CG1 4.34Å; L530-I534 HydrophobicContact CG-CD1 4.48Å; L530-I534 WeakPolarHBondContact O-CG1 3.1Å; L530-I534 PolarHBondContact O-N 3.35Å
531A94.5Very high92.8Very high43 Ų4387.3 Ų87.336%0.35550%0.502SS..Hα-helixtrans-62-42.6173.600000111.7S527 I534 Q535S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.73Å; A531-I534 PolarHBondContact O-N 3.32Å; A531-Q535 WeakPolarHBondContact O-CB 3.44Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.47Å; A531-Q535 PolarHBondContact O-N 3.46Å
532K95.3Very high92.7Very high141 Ų14188 Ų8861%0.61351%0.506SS*.Hα-helixtrans-61.3-43.1171.6-76.5169.7176.5177.30111.8A528 S529 L530 Q535 V536A528-K532 WeakPolarHBondContact O-CB 3.45Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.36Å; A528-K532 PolarHBondContact O-N 2.88Å; A528-K532 VanDerWaalsContact O-N 3.07Å; S529-K532 PolarHBondContact O-N 2.91Å; L530-K532 PolarHBondContact O-N 3.42Å; K532-Q535 PolarHBondContact O-N 3.22Å; K532-V536 WeakPolarHBondContact O-CG2 3.19Å; K532-V536 PolarHBondContact O-N 2.86Å
533A95.1Very high92.3Very high43 Ų4386.8 Ų86.836%0.35550%0.502SS..Hα-helixtrans-61.3-45.6176.700000111.7S529 L530 Q535 V536 I537S529-A533 WeakPolarHBondContact O-CB 3.34Å; S529-A533 PolarHBondContact O-N 3.22Å; L530-A533 WeakPolarHBondContact O-CB 3.44Å; L530-A533 PolarHBondContact O-N 2.99Å; A533-Q535 VanDerWaalsContact C-N 3.35Å; A533-Q535 PolarHBondContact O-N 3.45Å; A533-V536 PolarHBondContact O-N 2.7Å; A533-I537 HydrophobicContact CB-CD1 4.47Å; A533-I537 WeakPolarHBondContact O-CB 3.12Å; A533-I537 VanDerWaalsContact O-CG1 3.23Å; A533-I537 WeakPolarHBondContact O-CG1 3.45Å; A533-I537 PolarHBondContact O-N 3.4Å
534I91.6Very high92.1Very high83 Ų8387.4 Ų87.443%0.42650%0.501SS..Hα-helixtrans-62-40.8174.7-68.2175.9000111.3L530 A531 V536 K538L530-I534 HydrophobicContact CD2-CD1 3.58Å; L530-I534 HydrophobicContact CD2-CG1 4.34Å; L530-I534 HydrophobicContact CG-CD1 4.48Å; L530-I534 WeakPolarHBondContact O-CG1 3.1Å; L530-I534 PolarHBondContact O-N 3.35Å; A531-I534 PolarHBondContact O-N 3.32Å; I534-V536 VanDerWaalsContact C-N 3.28Å; I534-V536 PolarHBondContact O-N 2.65Å; I534-K538 WeakPolarHBondContact O-CA 3.4Å; I534-K538 PolarHBondContact O-N 3.47Å
535Q89.6Confident91.8Very high140 Ų14088.5 Ų88.565%0.65450%0.5SS*.Hα-helixtrans-66.6-25.1176.5-75.7177.9-0.200114.1A531 K532 A533 K538A531-Q535 WeakPolarHBondContact O-CB 3.44Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.47Å; A531-Q535 PolarHBondContact O-N 3.46Å; K532-Q535 PolarHBondContact O-N 3.22Å; A533-Q535 VanDerWaalsContact C-N 3.35Å; A533-Q535 PolarHBondContact O-N 3.45Å; Q535-K538 WeakPolarHBondContact O-CE 3.41Å; Q535-K538 VanDerWaalsContact O-CG 3.23Å; Q535-K538 WeakPolarHBondContact O-CG 3.29Å
536V93.4Very high91.6Very high124 Ų12493.3 Ų93.375%0.75251%0.506SS*.Hα-helixtrans-85.7-46.2174.6170.50000111.3K532 A533 I534K532-V536 WeakPolarHBondContact O-CG2 3.19Å; K532-V536 PolarHBondContact O-N 2.86Å; A533-V536 PolarHBondContact O-N 2.7Å; I534-V536 VanDerWaalsContact C-N 3.28Å; I534-V536 PolarHBondContact O-N 2.65Å
537I92.9Very high91.3Very high123 Ų12391 Ų9163%0.63150%0.495SS*.Hα-helixtrans-68.7-36.9-178.7-66.1165.4000111.4A533A533-I537 HydrophobicContact CB-CD1 4.47Å; A533-I537 WeakPolarHBondContact O-CB 3.12Å; A533-I537 VanDerWaalsContact O-CG1 3.23Å; A533-I537 WeakPolarHBondContact O-CG1 3.45Å; A533-I537 PolarHBondContact O-N 3.4Å
538K86.6Confident91.2Very high131 Ų13192.2 Ų92.257%0.5749%0.494SS*.  trans43.161.9-176.3-59.2-174.9-177.6176.40112.4I534 Q535 A540 L543I534-K538 WeakPolarHBondContact O-CA 3.4Å; I534-K538 PolarHBondContact O-N 3.47Å; Q535-K538 WeakPolarHBondContact O-CE 3.41Å; Q535-K538 VanDerWaalsContact O-CG 3.23Å; Q535-K538 WeakPolarHBondContact O-CG 3.29Å; K538-A540 PolarHBondContact O-N 2.95Å; K538-L543 HydrophobicContact CB-CD1 4.21Å; K538-L543 HydrophobicContact CB-CG 4.49Å
539P90.7Very high91Very high39 Ų3993.3 Ų93.325%0.25349%0.49SS..  trans-54.7133.3-174.821.2-31.1000111.2S541 N542 L543P539-S541 PolarHBondContact O-N 3.28Å; P539-N542 HydrophobicContact CG-CB 4.07Å; P539-N542 WeakPolarHBondContact CG-OD1 3.21Å; P539-N542 PolarHBondContact O-N 3.09Å; P539-L543 PolarHBondContact O-N 3.31Å; P539-L543 VanDerWaalsContact O-N 3.07Å
540A87.8Confident90.9Very high65 Ų6592 Ų9254%0.53748%0.478SS..Hα-helixtrans-60.1-31-170.200000113.2K538 L543 Q544K538-A540 PolarHBondContact O-N 2.95Å; A540-L543 PolarHBondContact O-N 3.18Å; A540-Q544 WeakPolarHBondContact O-CB 3.36Å; A540-Q544 VanDerWaalsContact O-CG 3.28Å; A540-Q544 WeakPolarHBondContact O-CG 3.31Å; A540-Q544 PolarHBondContact O-N 3.47Å
541S89.1Confident90.8Very high58 Ų5888.7 Ų88.741%0.40646%0.46SS..Hα-helixtrans-56.9-50.9169.948.30000112P539 L543 Q544 E545P539-S541 PolarHBondContact O-N 3.28Å; S541-L543 VanDerWaalsContact C-N 3.3Å; S541-L543 PolarHBondContact O-N 3.38Å; S541-Q544 CarbonylContact O-C 3.54Å; S541-Q544 WeakPolarHBondContact O-CA 3.11Å; S541-Q544 PolarHBondContact O-N 2.97Å; S541-Q544 VanDerWaalsContact O-N 3.13Å; S541-E545 WeakPolarHBondContact O-CB 3.22Å; S541-E545 WeakPolarHBondContact O-CG 3.41Å; S541-E545 PolarHBondContact O-N 3.28Å
542N86.3Confident90.8Very high79 Ų7991 Ų9142%0.42246%0.463SS..Hα-helixtrans-75.6-21.4-177-60.767.7000112.3P539 R546P539-N542 HydrophobicContact CG-CB 4.07Å; P539-N542 WeakPolarHBondContact CG-OD1 3.21Å; P539-N542 PolarHBondContact O-N 3.09Å; N542-R546 WeakPolarHBondContact O-CB 3.45Å; N542-R546 PolarHBondContact O-N 2.9Å
543L85.8Confident90.7Very high72 Ų7285.7 Ų85.738%0.37745%0.446SS..Hα-helixtrans-66.2-57162.4-69.1173.1000108.8K538 P539 A540 S541 E545 R546 D547K538-L543 HydrophobicContact CB-CD1 4.21Å; K538-L543 HydrophobicContact CB-CG 4.49Å; P539-L543 PolarHBondContact O-N 3.31Å; P539-L543 VanDerWaalsContact O-N 3.07Å; A540-L543 PolarHBondContact O-N 3.18Å; S541-L543 VanDerWaalsContact C-N 3.3Å; S541-L543 PolarHBondContact O-N 3.38Å; L543-E545 PolarHBondContact O-N 2.92Å; L543-E545 VanDerWaalsContact O-N 3.13Å; L543-R546 CarbonylContact O-C 3.51Å; L543-R546 VanDerWaalsContact O-C 3.27Å; L543-R546 WeakPolarHBondContact O-CA 3.04Å; L543-R546 PolarHBondContact O-N 3.41Å; L543-R546 VanDerWaalsContact O-N 3.14Å; L543-D547 WeakPolarHBondContact O-CA 3.5Å; L543-D547 WeakPolarHBondContact O-CB 3.38Å; L543-D547 PolarHBondContact O-N 3.44Å; L543-D547 VanDerWaalsContact O-OD2 3.1Å
544Q88.8Confident90.7Very high137 Ų13786.6 Ų86.664%0.6444%0.444SS*.Hα-helixtrans-60.4-18177.5-71.5173.6-17.700115.8A540 S541 D547 E548A540-Q544 WeakPolarHBondContact O-CB 3.36Å; A540-Q544 VanDerWaalsContact O-CG 3.28Å; A540-Q544 WeakPolarHBondContact O-CG 3.31Å; A540-Q544 PolarHBondContact O-N 3.47Å; S541-Q544 CarbonylContact O-C 3.54Å; S541-Q544 WeakPolarHBondContact O-CA 3.11Å; S541-Q544 PolarHBondContact O-N 2.97Å; S541-Q544 VanDerWaalsContact O-N 3.13Å; Q544-D547 CarbonylContact O-C 3.4Å; Q544-E548 PolarHBondContact O-N 2.98Å; Q544-E548 VanDerWaalsContact O-N 3.08Å
545E89.9Confident90.8Very high111 Ų11184.9 Ų84.952%0.51944%0.442SS..Hα-helixtrans-96.4-32.5174.6-75.217217600112.6S541 L543 D547S541-E545 WeakPolarHBondContact O-CB 3.22Å; S541-E545 WeakPolarHBondContact O-CG 3.41Å; S541-E545 PolarHBondContact O-N 3.28Å; L543-E545 PolarHBondContact O-N 2.92Å; L543-E545 VanDerWaalsContact O-N 3.13Å; E545-D547 PolarHBondContact O-N 2.9Å
546R87.7Confident91.1Very high160 Ų16080 Ų8060%0.60443%0.426SS*.Hα-helixtrans-71.1-4.4159.7-154.8-167.775.2126.913.7110.8N542 L543 P1070 R1071N542-R546 WeakPolarHBondContact O-CB 3.45Å; N542-R546 PolarHBondContact O-N 2.9Å; L543-R546 CarbonylContact O-C 3.51Å; L543-R546 VanDerWaalsContact O-C 3.27Å; L543-R546 WeakPolarHBondContact O-CA 3.04Å; L543-R546 PolarHBondContact O-N 3.41Å; L543-R546 VanDerWaalsContact O-N 3.14Å; R546-P1070 CarbonylContact C-O 3.52Å; R546-P1070 CarbonylContact O-C 2.78Å; R546-P1070 VanDerWaalsContact O-O 3.05Å; R546-R1071 HydrophobicContact CB-CB 4.38Å; R546-R1071 HydrophobicContact CG-CB 3.65Å; R546-R1071 HydrophobicContact CG-CG 4.46Å; R546-R1071 PolarHBondContact O-N 3.11Å
547D89.6Confident91.1Very high64 Ų6481.6 Ų81.634%0.34242%0.419SS..THydrogen-bonded Turntrans-127.439.3173.2-54.3-32.1000113.8L543 Q544 E545 G1069 P1070L543-D547 WeakPolarHBondContact O-CA 3.5Å; L543-D547 WeakPolarHBondContact O-CB 3.38Å; L543-D547 PolarHBondContact O-N 3.44Å; L543-D547 VanDerWaalsContact O-OD2 3.1Å; Q544-D547 CarbonylContact O-C 3.4Å; E545-D547 PolarHBondContact O-N 2.9Å; D547-G1069 WeakPolarHBondContact CA-O 3.36Å; D547-G1069 VanDerWaalsContact CB-O 3.26Å; D547-G1069 WeakPolarHBondContact CB-O 3.48Å; D547-P1070 CarbonylContact C-O 3.59Å; D547-P1070 VanDerWaalsContact C-O 3.25Å; D547-P1070 VanDerWaalsContact CA-O 3.25Å; D547-P1070 WeakPolarHBondContact CA-O 3.38Å; D547-P1070 PolarHBondContact N-O 3.33Å; D547-P1070 WeakPolarHBondContact O-CD 3.45Å
548E92.9Very high91Very high98 Ų9881.6 Ų81.646%0.45842%0.42SS..SBendtrans-110.5-68.4172.7-154.6-69139.900124.6Q544 Q552 P1070Q544-E548 PolarHBondContact O-N 2.98Å; Q544-E548 VanDerWaalsContact O-N 3.08Å; E548-Q552 VanDerWaalsContact CD-NE2 3.3Å; E548-Q552 PolarHBondContact O-NE2 2.97Å; E548-Q552 PolarHBondContact OE1-NE2 3.36Å; E548-Q552 VanDerWaalsContact OE1-NE2 3.13Å; E548-Q552 PolarHBondContact OE2-NE2 2.88Å; E548-P1070 VanDerWaalsContact N-CD 3.35Å; E548-P1070 PolarHBondContact N-O 3.27Å; E548-P1070 WeakPolarHBondContact O-CG 3.48Å
549H92.9Very high91.3Very high71 Ų7182.8 Ų82.833%0.32943%0.425SS..SBendcis98.3-113.937-81.235.7000120.5Q552 A553 P1070 R1071 R1072H549-Q552 WeakPolarHBondContact O-CA 3.41Å; H549-Q552 WeakPolarHBondContact O-CB 3.45Å; H549-Q552 WeakPolarHBondContact O-CG 3.21Å; H549-Q552 PolarHBondContact O-N 3.42Å; H549-A553 PolarHBondContact O-N 3.26Å; H549-P1070 WeakPolarHBondContact CA-O 3.44Å; H549-P1070 HydrophobicContact CB-CB 4.13Å; H549-P1070 WeakPolarHBondContact CB-O 3.49Å; H549-R1071 CarbonylContact C-O 3.08Å; H549-R1072 HydrophobicContact CB-CB 4Å; H549-R1072 WeakPolarHBondContact CD2-CB 2.9Å; H549-R1072 PolarHBondContact CD2-O 3.04Å
550N93.7Very high91.4Very high43 Ų4384.1 Ų84.123%0.2343%0.43CS..THydrogen-bonded Turntrans-57.5-40.3169.1-168.476.2000124.2Q552 A553 I554 P1070 R1071N550-Q552 PolarHBondContact O-N 3.4Å; N550-A553 CarbonylContact O-C 3.58Å; N550-A553 WeakPolarHBondContact O-CA 3.42Å; N550-A553 WeakPolarHBondContact O-CB 3.35Å; N550-A553 PolarHBondContact O-N 3.42Å; N550-I554 PolarHBondContact O-N 3.3Å; N550-P1070 VanDerWaalsContact C-CB 3.49Å; N550-P1070 HydrophobicContact CB-CB 4.24Å; N550-P1070 PolarHBondContact N-O 3.03Å; N550-R1071 VanDerWaalsContact CA-N 3.3Å; N550-R1071 WeakPolarHBondContact CA-O 3.21Å; N550-R1071 HydrophobicContact CB-CB 4.17Å; N550-R1071 HydrophobicContact CB-CG 3.82Å; N550-R1071 WeakPolarHBondContact CB-O 3.4Å; N550-R1071 VanDerWaalsContact N-CA 3.31Å; N550-R1071 PolarHBondContact N-O 3.23Å; N550-R1071 VanDerWaalsContact OD1-CZ 3.3Å; N550-R1071 PolarHBondContact OD1-NE 3.21Å; N550-R1071 PolarHBondContact OD1-NH2 3.39Å
551Q93Very high91.6Very high38 Ų3882.4 Ų82.418%0.17842%0.416CS..Hα-helixtrans-67.1-11.8163.87751.121.900113.3A553 I554 A555 W1068 P1070Q551-A553 PolarHBondContact O-N 3.01Å; Q551-I554 HydrophobicContact CB-CB 3.86Å; Q551-I554 HydrophobicContact CB-CD1 3.75Å; Q551-I554 HydrophobicContact CB-CG1 3.9Å; Q551-I554 PolarHBondContact O-N 3Å; Q551-A555 WeakPolarHBondContact O-CB 3.46Å; Q551-A555 PolarHBondContact O-N 3.31Å; Q551-W1068 HydrophobicContact CG-CB 3.88Å; Q551-W1068 HydrophobicContact CG-CD2 4.36Å; Q551-W1068 HydrophobicContact CG-CE3 3.65Å; Q551-W1068 HydrophobicContact CG-CZ3 4.48Å; Q551-P1070 HydrophobicContact CB-CB 4.45Å; Q551-P1070 HydrophobicContact CB-CG 3.88Å; Q551-P1070 HydrophobicContact CG-CB 4.35Å; Q551-P1070 HydrophobicContact CG-CG 3.37Å
552Q94.6Very high91.8Very high90 Ų9089.7 Ų89.742%0.42144%0.435SS..Hα-helixtrans-69.2-21.6153.3-39.8176.79.200111.6E548 H549 N550 A556 P1070E548-Q552 VanDerWaalsContact CD-NE2 3.3Å; E548-Q552 PolarHBondContact O-NE2 2.97Å; E548-Q552 PolarHBondContact OE1-NE2 3.36Å; E548-Q552 VanDerWaalsContact OE1-NE2 3.13Å; E548-Q552 PolarHBondContact OE2-NE2 2.88Å; H549-Q552 WeakPolarHBondContact O-CA 3.41Å; H549-Q552 WeakPolarHBondContact O-CB 3.45Å; H549-Q552 WeakPolarHBondContact O-CG 3.21Å; H549-Q552 PolarHBondContact O-N 3.42Å; N550-Q552 PolarHBondContact O-N 3.4Å; Q552-A556 WeakPolarHBondContact O-CB 3.14Å; Q552-A556 PolarHBondContact O-N 2.93Å; Q552-P1070 HydrophobicContact CG-CG 4.36Å
553A93.8Very high92.1Very high31 Ų3192 Ų9226%0.25644%0.441SS..Hα-helixtrans-89.2-22.3166.900000115.3H549 N550 Q551 A555 A556 Y557H549-A553 PolarHBondContact O-N 3.26Å; N550-A553 CarbonylContact O-C 3.58Å; N550-A553 WeakPolarHBondContact O-CA 3.42Å; N550-A553 WeakPolarHBondContact O-CB 3.35Å; N550-A553 PolarHBondContact O-N 3.42Å; Q551-A553 PolarHBondContact O-N 3.01Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A556 PolarHBondContact O-N 3.26Å; A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.35Å; A553-Y557 PolarHBondContact O-N 3.29Å
554I94.3Very high92.4Very high62 Ų6292 Ų9232%0.31844%0.441SS..Hα-helixtrans-68.9-40.5160.1-59.1-178.3000107.4N550 Q551 Y557 L558N550-I554 PolarHBondContact O-N 3.3Å; Q551-I554 HydrophobicContact CB-CB 3.86Å; Q551-I554 HydrophobicContact CB-CD1 3.75Å; Q551-I554 HydrophobicContact CB-CG1 3.9Å; Q551-I554 PolarHBondContact O-N 3Å; I554-Y557 CarbonylContact O-C 3.6Å; I554-Y557 WeakPolarHBondContact O-CB 3.48Å; I554-Y557 PolarHBondContact O-N 3.26Å; I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 HydrophobicContact CG2-CG 4.39Å; I554-L558 WeakPolarHBondContact O-CB 3.21Å; I554-L558 WeakPolarHBondContact O-CG 3.44Å; I554-L558 PolarHBondContact O-N 3.48Å
555A93.9Very high92.6Very high47 Ų4790.9 Ų90.939%0.38844%0.436SS..Hα-helixtrans-66.4-38170.100000111.7Q551 A553 L558 K559Q551-A555 WeakPolarHBondContact O-CB 3.46Å; Q551-A555 PolarHBondContact O-N 3.31Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A555-L558 PolarHBondContact O-N 2.89Å; A555-K559 WeakPolarHBondContact O-CB 3.31Å; A555-K559 PolarHBondContact O-N 3.02Å
556A94.8Very high92.6Very high38 Ų3891.7 Ų91.731%0.31444%0.439SS..Hα-helixtrans-64.7-41.7171.500000111.1Q552 A553 K559 N560Q552-A556 WeakPolarHBondContact O-CB 3.14Å; Q552-A556 PolarHBondContact O-N 2.93Å; A553-A556 PolarHBondContact O-N 3.26Å; A556-K559 PolarHBondContact O-N 3.33Å; A556-N560 WeakPolarHBondContact O-CB 3.27Å; A556-N560 PolarHBondContact O-N 3.19Å; A556-N560 PolarHBondContact O-ND2 3.03Å
557Y93.3Very high92.9Very high156 Ų15692.7 Ų92.761%0.61244%0.443SS*.Hα-helixtrans-59.7-52.5171.7169.3-103.8000110.9A553 I554 K559 N560 A561A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.35Å; A553-Y557 PolarHBondContact O-N 3.29Å; I554-Y557 CarbonylContact O-C 3.6Å; I554-Y557 WeakPolarHBondContact O-CB 3.48Å; I554-Y557 PolarHBondContact O-N 3.26Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.42Å; Y557-N560 PolarHBondContact O-N 2.65Å; Y557-N560 VanDerWaalsContact O-N 3.14Å; Y557-A561 HydrophobicContact CD2-CB 4.15Å; Y557-A561 HydrophobicContact CE2-CB 3.84Å; Y557-A561 WeakPolarHBondContact O-CA 3.46Å; Y557-A561 WeakPolarHBondContact O-CB 3.49Å; Y557-A561 PolarHBondContact O-N 2.91Å
558L92.1Very high93Very high124 Ų12494.9 Ų94.965%0.64945%0.454SS*.Hα-helixtrans-59.5-37.3177.5-70.4167.6000112.4I554 A555I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 HydrophobicContact CG2-CG 4.39Å; I554-L558 WeakPolarHBondContact O-CB 3.21Å; I554-L558 WeakPolarHBondContact O-CG 3.44Å; I554-L558 PolarHBondContact O-N 3.48Å; A555-L558 PolarHBondContact O-N 2.89Å
559K92.7Very high93Very high156 Ų15693.9 Ų93.968%0.67845%0.451SS*.Hα-helixtrans-72.3-29.1177.4-176.5175.4-177.9175.90113.4A555 A556 Y557A555-K559 WeakPolarHBondContact O-CB 3.31Å; A555-K559 PolarHBondContact O-N 3.02Å; A556-K559 PolarHBondContact O-N 3.33Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.42Å
560N93.3Very high92.9Very high67 Ų6792.6 Ų92.636%0.35845%0.453SS..Hα-helixtrans-105.6-29.1-174.4-64.9-9.5000113.6A556 Y557 R562 K563 D564A556-N560 WeakPolarHBondContact O-CB 3.27Å; A556-N560 PolarHBondContact O-N 3.19Å; A556-N560 PolarHBondContact O-ND2 3.03Å; Y557-N560 PolarHBondContact O-N 2.65Å; Y557-N560 VanDerWaalsContact O-N 3.14Å; N560-R562 VanDerWaalsContact C-N 3.33Å; N560-R562 PolarHBondContact O-N 3.04Å; N560-R562 VanDerWaalsContact O-N 3.17Å; N560-K563 CarbonylContact O-C 3.57Å; N560-K563 WeakPolarHBondContact O-CA 3.37Å; N560-K563 VanDerWaalsContact O-CB 3.32Å; N560-K563 WeakPolarHBondContact O-CB 3.32Å; N560-K563 PolarHBondContact O-N 2.92Å; N560-D564 PolarHBondContact O-N 3.19Å
561A92.4Very high92.9Very high29 Ų2999 Ų9924%0.2447%0.474CS..Hα-helixtrans-55.2-42.5-169.300000113.4Y557 H565Y557-A561 HydrophobicContact CD2-CB 4.15Å; Y557-A561 HydrophobicContact CE2-CB 3.84Å; Y557-A561 WeakPolarHBondContact O-CA 3.46Å; Y557-A561 WeakPolarHBondContact O-CB 3.49Å; Y557-A561 PolarHBondContact O-N 2.91Å; A561-H565 WeakPolarHBondContact O-CB 3.48Å; A561-H565 PolarHBondContact O-N 2.86Å
562R91.5Very high92.9Very high211 Ų211104.3 Ų104.380%0.79649%0.492SS*.Hα-helixtrans-65.6-37.4174.3-70.4-174.3177.3-176.8-0.4112.3N560 Q566N560-R562 VanDerWaalsContact C-N 3.33Å; N560-R562 PolarHBondContact O-N 3.04Å; N560-R562 VanDerWaalsContact O-N 3.17Å; R562-Q566 WeakPolarHBondContact O-CB 3.35Å; R562-Q566 VanDerWaalsContact O-CG 3.23Å; R562-Q566 WeakPolarHBondContact O-CG 3.22Å; R562-Q566 PolarHBondContact O-N 3.07Å
563K93.1Very high92.7Very high128 Ų128105.4 Ų105.456%0.55750%0.498SS*.Hα-helixtrans-71.5-44.5179.1-56.2-175.2-179.8-172.90111.7N560 Q566 R567N560-K563 CarbonylContact O-C 3.57Å; N560-K563 WeakPolarHBondContact O-CA 3.37Å; N560-K563 VanDerWaalsContact O-CB 3.32Å; N560-K563 WeakPolarHBondContact O-CB 3.32Å; N560-K563 PolarHBondContact O-N 2.92Å; K563-Q566 PolarHBondContact O-N 2.84Å; K563-R567 VanDerWaalsContact O-CB 3.29Å; K563-R567 WeakPolarHBondContact O-CB 3.34Å; K563-R567 PolarHBondContact O-N 3.41Å
564D91.4Very high92.6Very high70 Ų70107.6 Ų107.637%0.37451%0.508SS..Hα-helixtrans-69.6-36.3177-71.9-45.5000111.2N560 R567 I568N560-D564 PolarHBondContact O-N 3.19Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 2.9Å; D564-I568 WeakPolarHBondContact O-CB 3.26Å; D564-I568 WeakPolarHBondContact O-CD1 3.2Å; D564-I568 WeakPolarHBondContact O-CG1 3.43Å; D564-I568 PolarHBondContact O-N 3.41Å
565H93.1Very high92.3Very high114 Ų114109.1 Ų109.153%0.52852%0.516SS..Hα-helixtrans-60.8-48.2170-178.271.7000111.9A561 R567 I568 L569A561-H565 WeakPolarHBondContact O-CB 3.48Å; A561-H565 PolarHBondContact O-N 2.86Å; H565-R567 VanDerWaalsContact C-N 3.31Å; H565-R567 PolarHBondContact O-N 2.92Å; H565-I568 PolarHBondContact O-N 3.21Å; H565-L569 WeakPolarHBondContact O-CG 3.42Å; H565-L569 PolarHBondContact O-N 3.45Å
566Q91Very high92.1Very high128 Ų128110.6 Ų110.660%0.59852%0.515SS*.Hα-helixtrans-59.5-40.4173.5-75.9169.2-20.700112.2R562 K563 L569 A570R562-Q566 WeakPolarHBondContact O-CB 3.35Å; R562-Q566 VanDerWaalsContact O-CG 3.23Å; R562-Q566 WeakPolarHBondContact O-CG 3.22Å; R562-Q566 PolarHBondContact O-N 3.07Å; K563-Q566 PolarHBondContact O-N 2.84Å; Q566-L569 PolarHBondContact O-N 3.34Å; Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.91Å
567R93.1Very high91.9Very high181 Ų181113.2 Ų113.268%0.68352%0.52SS*.Hα-helixtrans-66.2-34.6176-170.8-178.9-176.4-1682.5112.5K563 D564 H565 R571K563-R567 VanDerWaalsContact O-CB 3.29Å; K563-R567 WeakPolarHBondContact O-CB 3.34Å; K563-R567 PolarHBondContact O-N 3.41Å; D564-R567 CarbonylContact O-C 3.36Å; D564-R567 PolarHBondContact O-N 2.9Å; H565-R567 VanDerWaalsContact C-N 3.31Å; H565-R567 PolarHBondContact O-N 2.92Å; R567-R571 WeakPolarHBondContact O-CB 3.48Å; R567-R571 PolarHBondContact O-N 3.19Å
568I92.4Very high91.7Very high110 Ų110113.7 Ų113.756%0.56452%0.521SS*.Hα-helixtrans-70.4-41.5174-71.3161.6000110.6D564 H565 R571 R572D564-I568 WeakPolarHBondContact O-CB 3.26Å; D564-I568 WeakPolarHBondContact O-CD1 3.2Å; D564-I568 WeakPolarHBondContact O-CG1 3.43Å; D564-I568 PolarHBondContact O-N 3.41Å; H565-I568 PolarHBondContact O-N 3.21Å; I568-R571 PolarHBondContact O-N 3.31Å; I568-R572 WeakPolarHBondContact O-CB 3.45Å; I568-R572 PolarHBondContact O-N 2.93Å
569L92.1Very high91.8Very high77 Ų77113.4 Ų113.440%0.40351%0.514SS..Hα-helixtrans-64.2-46.9174.3-69.6177000112H565 Q566 R571 R572 Q573H565-L569 WeakPolarHBondContact O-CG 3.42Å; H565-L569 PolarHBondContact O-N 3.45Å; Q566-L569 PolarHBondContact O-N 3.34Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 3.49Å; L569-R572 WeakPolarHBondContact O-CB 3.49Å; L569-R572 PolarHBondContact O-N 2.85Å; L569-R572 VanDerWaalsContact O-N 3.13Å; L569-Q573 WeakPolarHBondContact O-CG 3.47Å; L569-Q573 PolarHBondContact O-N 3.37Å
570A92.1Very high91.5Very high45 Ų45112 Ų11237%0.37251%0.51SS..Hα-helixtrans-60.8-43.3174.400000111.4Q566 R572 Q573 T574Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.91Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 2.7Å; A570-Q573 WeakPolarHBondContact O-CB 3.3Å; A570-Q573 PolarHBondContact O-N 3.39Å; A570-T574 PolarHBondContact O-N 3.05Å; A570-T574 PolarHBondContact O-OG1 2.83Å
571R92.9Very high91.2Very high178 Ų178115.1 Ų115.167%0.67252%0.517SS*.Hα-helixtrans-61.9-36.6174-178.5-179.9177.8-167.9-0.5112.2R567 I568 L569 T574 I575R567-R571 WeakPolarHBondContact O-CB 3.48Å; R567-R571 PolarHBondContact O-N 3.19Å; I568-R571 PolarHBondContact O-N 3.31Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 3.49Å; R571-T574 PolarHBondContact O-N 3.43Å; R571-I575 HydrophobicContact CG-CD1 3.95Å; R571-I575 WeakPolarHBondContact O-CB 3.44Å; R571-I575 WeakPolarHBondContact O-CD1 3.42Å; R571-I575 VanDerWaalsContact O-CG1 3.22Å; R571-I575 WeakPolarHBondContact O-CG1 3.19Å; R571-I575 PolarHBondContact O-N 2.83Å
572R93.4Very high90.8Very high148 Ų148117.7 Ų117.756%0.55853%0.527SS*.Hα-helixtrans-62.4-48.1173.5176.6-173.3161.4-164.7-11.7110.3I568 L569 A570 T574 I575 E576I568-R572 WeakPolarHBondContact O-CB 3.45Å; I568-R572 PolarHBondContact O-N 2.93Å; L569-R572 WeakPolarHBondContact O-CB 3.49Å; L569-R572 PolarHBondContact O-N 2.85Å; L569-R572 VanDerWaalsContact O-N 3.13Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 2.7Å; R572-T574 PolarHBondContact O-N 3.09Å; R572-I575 CarbonylContact O-C 3.27Å; R572-I575 WeakPolarHBondContact O-CA 3.22Å; R572-I575 WeakPolarHBondContact O-CB 3.42Å; R572-I575 PolarHBondContact O-N 2.82Å; R572-E576 HydrophobicContact CG-CG 4.46Å; R572-E576 IonicContact CZ-OE1 2.94Å; R572-E576 IonicContact NE-OE1 2.73Å; R572-E576 PolarHBondContact NE-OE1 3.43Å; R572-E576 IonicContact NE-OE2 3.13Å; R572-E576 PolarHBondContact NE-OE2 2.75Å; R572-E576 IonicContact NH2-OE1 3.53Å; R572-E576 PolarHBondContact NH2-OE1 3.1Å; R572-E576 IonicContact NH2-OE2 3.05Å; R572-E576 WeakPolarHBondContact O-CG 3.39Å; R572-E576 PolarHBondContact O-N 2.82Å
573Q91.1Very high90.5Very high114 Ų114111.9 Ų111.953%0.53351%0.508SS..Hα-helixtrans-57.7-48176-69.1168.5-40.300111.2L569 A570 I575 E576 E577L569-Q573 WeakPolarHBondContact O-CG 3.47Å; L569-Q573 PolarHBondContact O-N 3.37Å; A570-Q573 WeakPolarHBondContact O-CB 3.3Å; A570-Q573 PolarHBondContact O-N 3.39Å; Q573-I575 PolarHBondContact O-N 3.48Å; Q573-E576 PolarHBondContact O-N 3.38Å; Q573-E576 VanDerWaalsContact O-N 3.09Å; Q573-E577 WeakPolarHBondContact O-CG 3.29Å; Q573-E577 PolarHBondContact O-N 2.78Å
574T91.1Very high90.2Very high76 Ų76108.4 Ų108.447%0.46650%0.5SS..Hα-helixtrans-62.3-27.7175.2-46.60000113.3A570 R571 R572 R578A570-T574 PolarHBondContact O-N 3.05Å; A570-T574 PolarHBondContact O-OG1 2.83Å; R571-T574 PolarHBondContact O-N 3.43Å; R572-T574 PolarHBondContact O-N 3.09Å; T574-R578 WeakPolarHBondContact O-CB 3.29Å; T574-R578 PolarHBondContact O-N 2.93Å; T574-R578 VanDerWaalsContact O-N 3.09Å
575I87.8Confident89.9Confident95 Ų95109.3 Ų109.349%0.48750%0.504SS..Hα-helixtrans-76-39.6173.5-73.3165.8000111R571 R572 Q573 R578 K579R571-I575 HydrophobicContact CG-CD1 3.95Å; R571-I575 WeakPolarHBondContact O-CB 3.44Å; R571-I575 WeakPolarHBondContact O-CD1 3.42Å; R571-I575 VanDerWaalsContact O-CG1 3.22Å; R571-I575 WeakPolarHBondContact O-CG1 3.19Å; R571-I575 PolarHBondContact O-N 2.83Å; R572-I575 CarbonylContact O-C 3.27Å; R572-I575 WeakPolarHBondContact O-CA 3.22Å; R572-I575 WeakPolarHBondContact O-CB 3.42Å; R572-I575 PolarHBondContact O-N 2.82Å; Q573-I575 PolarHBondContact O-N 3.48Å; I575-R578 PolarHBondContact O-N 2.88Å; I575-K579 WeakPolarHBondContact O-CB 3.32Å; I575-K579 PolarHBondContact O-N 3.18Å
576E89.4Confident89.4Confident78 Ų78107.3 Ų107.336%0.36450%0.498SS..Hα-helixtrans-64.7-51.6175.2-72168157.600110.4R572 Q573 R578 K579 E580R572-E576 HydrophobicContact CG-CG 4.46Å; R572-E576 IonicContact CZ-OE1 2.94Å; R572-E576 IonicContact NE-OE1 2.73Å; R572-E576 PolarHBondContact NE-OE1 3.43Å; R572-E576 IonicContact NE-OE2 3.13Å; R572-E576 PolarHBondContact NE-OE2 2.75Å; R572-E576 IonicContact NH2-OE1 3.53Å; R572-E576 PolarHBondContact NH2-OE1 3.1Å; R572-E576 IonicContact NH2-OE2 3.05Å; R572-E576 WeakPolarHBondContact O-CG 3.39Å; R572-E576 PolarHBondContact O-N 2.82Å; Q573-E576 PolarHBondContact O-N 3.38Å; Q573-E576 VanDerWaalsContact O-N 3.09Å; E576-R578 PolarHBondContact O-N 2.79Å; E576-K579 WeakPolarHBondContact O-CA 3.34Å; E576-K579 WeakPolarHBondContact O-CB 3.14Å; E576-K579 PolarHBondContact O-N 3.01Å; E576-E580 WeakPolarHBondContact O-CG 3.23Å; E576-E580 PolarHBondContact O-N 2.78Å
577E90.9Very high89.3Confident92 Ų92105.4 Ų105.443%0.4349%0.491SS..Hα-helixtrans-56.9-34.8172.1-66.8167.6-160.200113.4Q573 R581Q573-E577 WeakPolarHBondContact O-CG 3.29Å; Q573-E577 PolarHBondContact O-N 2.78Å; E577-R581 WeakPolarHBondContact O-CB 3.1Å; E577-R581 WeakPolarHBondContact O-CG 3.37Å; E577-R581 PolarHBondContact O-N 2.84Å; E577-R581 VanDerWaalsContact O-N 3.1Å; E577-R581 PolarHBondContact O-NE 2.9Å; E577-R581 IonicContact OE2-NH2 3.51Å; E577-R581 PolarHBondContact OE2-NH2 3.23Å
578R89.9Confident88.8Confident166 Ų166102 Ų10263%0.62648%0.483SS*.Hα-helixtrans-76.1-33.8178.1-177.1176-178.4-1741.3111T574 I575 E576 L582T574-R578 WeakPolarHBondContact O-CB 3.29Å; T574-R578 PolarHBondContact O-N 2.93Å; T574-R578 VanDerWaalsContact O-N 3.09Å; I575-R578 PolarHBondContact O-N 2.88Å; E576-R578 PolarHBondContact O-N 2.79Å; R578-L582 HydrophobicContact CG-CD1 4.21Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.28Å; R578-L582 WeakPolarHBondContact O-CG 3.46Å; R578-L582 PolarHBondContact O-N 3.35Å
579K92.6Very high88.4Confident118 Ų118102.9 Ų102.951%0.51348%0.479SS..Hα-helixtrans-63.6-50.1172.3-177.6-168.4160.9-167.70109.7I575 E576 R581 L582 E583I575-K579 WeakPolarHBondContact O-CB 3.32Å; I575-K579 PolarHBondContact O-N 3.18Å; E576-K579 WeakPolarHBondContact O-CA 3.34Å; E576-K579 WeakPolarHBondContact O-CB 3.14Å; E576-K579 PolarHBondContact O-N 3.01Å; K579-R581 VanDerWaalsContact C-N 3.31Å; K579-R581 PolarHBondContact O-N 3.22Å; K579-L582 CarbonylContact O-C 3.47Å; K579-L582 PolarHBondContact O-N 3.49Å; K579-E583 WeakPolarHBondContact CE-OE1 3.31Å; K579-E583 WeakPolarHBondContact CE-OE2 3.32Å; K579-E583 HydrophobicContact CG-CG 4.42Å; K579-E583 IonicContact NZ-OE1 3.34Å; K579-E583 PolarHBondContact NZ-OE1 3.11Å; K579-E583 WeakPolarHBondContact O-CG 3.22Å; K579-E583 PolarHBondContact O-N 3.37Å
580E87.4Confident87.9Confident127 Ų127104.8 Ų104.859%0.59349%0.485SS*.Hα-helixtrans-58.5-40.1176.5-69173.8169.800112.4E576 E583 S584E576-E580 WeakPolarHBondContact O-CG 3.23Å; E576-E580 PolarHBondContact O-N 2.78Å; E580-E583 PolarHBondContact O-N 2.86Å; E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 PolarHBondContact O-OG 3.11Å
581R85.7Confident87.7Confident132 Ų132108.5 Ų108.550%0.49849%0.493SS..Hα-helixtrans-65.5-35.1172.7-79.6177-79.9174.6-15.3113.5E577 K579 S584 L585E577-R581 WeakPolarHBondContact O-CB 3.1Å; E577-R581 WeakPolarHBondContact O-CG 3.37Å; E577-R581 PolarHBondContact O-N 2.84Å; E577-R581 VanDerWaalsContact O-N 3.1Å; E577-R581 PolarHBondContact O-NE 2.9Å; E577-R581 IonicContact OE2-NH2 3.51Å; E577-R581 PolarHBondContact OE2-NH2 3.23Å; K579-R581 VanDerWaalsContact C-N 3.31Å; K579-R581 PolarHBondContact O-N 3.22Å; R581-S584 WeakPolarHBondContact CA-OG 3.4Å; R581-S584 PolarHBondContact O-OG 3.18Å; R581-L585 WeakPolarHBondContact O-CB 3.27Å; R581-L585 WeakPolarHBondContact O-CD1 3.46Å; R581-L585 VanDerWaalsContact O-CG 3.22Å; R581-L585 WeakPolarHBondContact O-CG 3.24Å; R581-L585 PolarHBondContact O-N 3.23Å; R581-L585 VanDerWaalsContact O-N 3.11Å
582L84.1Confident87.1Confident84 Ų84105.4 Ų105.444%0.4449%0.487SS..Hα-helixtrans-76.1-35.5175.3-72.8169000112.1R578 K579 L585 N586R578-L582 HydrophobicContact CG-CD1 4.21Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.28Å; R578-L582 WeakPolarHBondContact O-CG 3.46Å; R578-L582 PolarHBondContact O-N 3.35Å; K579-L582 CarbonylContact O-C 3.47Å; K579-L582 PolarHBondContact O-N 3.49Å; L582-L585 PolarHBondContact O-N 3.07Å; L582-N586 WeakPolarHBondContact O-CB 3.45Å; L582-N586 PolarHBondContact O-N 2.91Å; L582-N586 PolarHBondContact O-OD1 3.42Å
583E85.8Confident86.6Confident89 Ų89103 Ų10342%0.41648%0.482SS..Hα-helixtrans-68-43.4175.3-73.5175.5154.700110.9K579 E580 N586 I587K579-E583 WeakPolarHBondContact CE-OE1 3.31Å; K579-E583 WeakPolarHBondContact CE-OE2 3.32Å; K579-E583 HydrophobicContact CG-CG 4.42Å; K579-E583 IonicContact NZ-OE1 3.34Å; K579-E583 PolarHBondContact NZ-OE1 3.11Å; K579-E583 WeakPolarHBondContact O-CG 3.22Å; K579-E583 PolarHBondContact O-N 3.37Å; E580-E583 PolarHBondContact O-N 2.86Å; E583-N586 PolarHBondContact O-N 3.43Å; E583-I587 WeakPolarHBondContact O-CD1 3.41Å; E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.41Å; E583-I587 PolarHBondContact O-N 2.64Å
584S87.1Confident86.1Confident55 Ų55100.1 Ų100.139%0.38547%0.469SS..Hα-helixtrans-64.9-38.9173.147.60000113.3E580 R581 N586 I587 Q588E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 PolarHBondContact O-OG 3.11Å; R581-S584 WeakPolarHBondContact CA-OG 3.4Å; R581-S584 PolarHBondContact O-OG 3.18Å; S584-N586 VanDerWaalsContact C-N 3.3Å; S584-N586 PolarHBondContact O-N 3.36Å; S584-I587 PolarHBondContact O-N 3.2Å; S584-Q588 WeakPolarHBondContact O-CB 3.42Å; S584-Q588 WeakPolarHBondContact O-CG 3.12Å; S584-Q588 PolarHBondContact O-N 3.41Å
585L85.6Confident85.7Confident88 Ų88102.8 Ų102.846%0.46148%0.477SS..Hα-helixtrans-69.8-21.6171.8-75.2169.5000113.9R581 L582 R589R581-L585 WeakPolarHBondContact O-CB 3.27Å; R581-L585 WeakPolarHBondContact O-CD1 3.46Å; R581-L585 VanDerWaalsContact O-CG 3.22Å; R581-L585 WeakPolarHBondContact O-CG 3.24Å; R581-L585 PolarHBondContact O-N 3.23Å; R581-L585 VanDerWaalsContact O-N 3.11Å; L582-L585 PolarHBondContact O-N 3.07Å; L585-R589 WeakPolarHBondContact O-CG 3.5Å; L585-R589 PolarHBondContact O-N 3.03Å; L585-R589 PolarHBondContact O-NE 3.47Å
586N82.6Confident85.2Confident72 Ų72103 Ų10339%0.38548%0.476SS..Hα-helixtrans-77.5-48.8169.9-75.83.7000110.5L582 E583 S584 Q588 R589 E590L582-N586 WeakPolarHBondContact O-CB 3.45Å; L582-N586 PolarHBondContact O-N 2.91Å; L582-N586 PolarHBondContact O-OD1 3.42Å; E583-N586 PolarHBondContact O-N 3.43Å; S584-N586 VanDerWaalsContact C-N 3.3Å; S584-N586 PolarHBondContact O-N 3.36Å; N586-Q588 PolarHBondContact O-N 2.94Å; N586-R589 CarbonylContact O-C 3.59Å; N586-R589 PolarHBondContact O-N 2.9Å; N586-R589 PolarHBondContact OD1-NH2 2.94Å; N586-E590 WeakPolarHBondContact O-CG 3.41Å; N586-E590 PolarHBondContact O-N 3.33Å
587I88.3Confident84.8Confident89 Ų89102.6 Ų102.646%0.45647%0.471SS..Hα-helixtrans-59.3-34177.5-67.7161.9000111.5E583 S584 K591E583-I587 WeakPolarHBondContact O-CD1 3.41Å; E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.41Å; E583-I587 PolarHBondContact O-N 2.64Å; S584-I587 PolarHBondContact O-N 3.2Å; I587-K591 VanDerWaalsContact O-CG 3.31Å; I587-K591 WeakPolarHBondContact O-CG 3.41Å; I587-K591 PolarHBondContact O-N 3.43Å
588Q82.6Confident84.2Confident109 Ų109103 Ų10351%0.50947%0.473SS..Hα-helixtrans-66.5-46.3171.9-77.3173.1-14.500112S584 N586 K591 E592S584-Q588 WeakPolarHBondContact O-CB 3.42Å; S584-Q588 WeakPolarHBondContact O-CG 3.12Å; S584-Q588 PolarHBondContact O-N 3.41Å; N586-Q588 PolarHBondContact O-N 2.94Å; Q588-K591 WeakPolarHBondContact O-CB 3.28Å; Q588-K591 PolarHBondContact O-N 3.2Å; Q588-E592 WeakPolarHBondContact O-CG 3.34Å; Q588-E592 PolarHBondContact O-N 2.95Å
589R83.7Confident83.8Confident129 Ų12996.8 Ų96.849%0.48746%0.457SS..Hα-helixtrans-68-37178.2-74.9-179.3-70.81740.3113.3L585 N586 K591 E592 E593L585-R589 WeakPolarHBondContact O-CG 3.5Å; L585-R589 PolarHBondContact O-N 3.03Å; L585-R589 PolarHBondContact O-NE 3.47Å; N586-R589 CarbonylContact O-C 3.59Å; N586-R589 PolarHBondContact O-N 2.9Å; N586-R589 PolarHBondContact OD1-NH2 2.94Å; R589-K591 VanDerWaalsContact C-N 3.3Å; R589-K591 PolarHBondContact O-N 3.41Å; R589-E592 PolarHBondContact O-N 3.42Å; R589-E593 PolarHBondContact O-N 2.87Å
590E82.9Confident83Confident116 Ų11691.8 Ų91.854%0.54244%0.435SS..Hα-helixtrans-60.3-40.9172.4-73.1168.1-17900110.7N586 E593 L594N586-E590 WeakPolarHBondContact O-CG 3.41Å; N586-E590 PolarHBondContact O-N 3.33Å; E590-E593 PolarHBondContact O-N 3.27Å; E590-L594 WeakPolarHBondContact O-CB 3.31Å; E590-L594 WeakPolarHBondContact O-CD1 3.42Å; E590-L594 VanDerWaalsContact O-CG 3.24Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 3.44Å
591K87.8Confident82.3Confident124 Ų12490 Ų9054%0.53943%0.428SS..Hα-helixtrans-67-42.7172.4-73.5176.2178.5-171.40113.5I587 Q588 R589 E593 L594 E595I587-K591 VanDerWaalsContact O-CG 3.31Å; I587-K591 WeakPolarHBondContact O-CG 3.41Å; I587-K591 PolarHBondContact O-N 3.43Å; Q588-K591 WeakPolarHBondContact O-CB 3.28Å; Q588-K591 PolarHBondContact O-N 3.2Å; R589-K591 VanDerWaalsContact C-N 3.3Å; R589-K591 PolarHBondContact O-N 3.41Å; K591-E593 VanDerWaalsContact C-N 3.27Å; K591-E593 PolarHBondContact O-N 2.95Å; K591-L594 PolarHBondContact O-N 3.1Å; K591-E595 WeakPolarHBondContact O-CG 3.46Å; K591-E595 PolarHBondContact O-N 3.4Å
592E80.2Confident81.9Confident113 Ų11388.4 Ų88.453%0.52843%0.426SS..Hα-helixtrans-64.2-31.4175.8-73175.5-179.500112.2Q588 R589 Q596Q588-E592 WeakPolarHBondContact O-CG 3.34Å; Q588-E592 PolarHBondContact O-N 2.95Å; R589-E592 PolarHBondContact O-N 3.42Å; E592-Q596 WeakPolarHBondContact O-CB 3.37Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3Å; E592-Q596 PolarHBondContact O-NE2 2.74Å
593E82.9Confident81.8Confident98 Ų9890 Ų9046%0.45843%0.429SS..Hα-helixtrans-69.5-49.3169.8-75.9-169.2-150.500111.5R589 E590 K591 E595 Q596 R597R589-E593 PolarHBondContact O-N 2.87Å; E590-E593 PolarHBondContact O-N 3.27Å; K591-E593 VanDerWaalsContact C-N 3.27Å; K591-E593 PolarHBondContact O-N 2.95Å; E593-E595 PolarHBondContact O-N 3.42Å; E593-Q596 WeakPolarHBondContact O-CB 3.48Å; E593-Q596 PolarHBondContact O-N 2.94Å; E593-R597 VanDerWaalsContact O-CB 3.31Å; E593-R597 WeakPolarHBondContact O-CB 3.43Å; E593-R597 VanDerWaalsContact O-CG 3.26Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.15Å; E593-R597 IonicContact OE2-CZ 2.82Å; E593-R597 IonicContact OE2-NE 3.61Å; E593-R597 IonicContact OE2-NH2 2.69Å; E593-R597 PolarHBondContact OE2-NH2 3.06Å
594L80.4Confident81.6Confident52 Ų5289.6 Ų89.627%0.27243%0.433SS..Hα-helixtrans-54.7-48.2176.7-73.6160.9000111.7E590 K591 Q596 R597 E598 D985E590-L594 WeakPolarHBondContact O-CB 3.31Å; E590-L594 WeakPolarHBondContact O-CD1 3.42Å; E590-L594 VanDerWaalsContact O-CG 3.24Å; E590-L594 WeakPolarHBondContact O-CG 3.49Å; E590-L594 PolarHBondContact O-N 3.44Å; K591-L594 PolarHBondContact O-N 3.1Å; L594-Q596 PolarHBondContact O-N 3.05Å; L594-R597 PolarHBondContact O-N 3.36Å; L594-E598 PolarHBondContact O-N 2.8Å; L594-D985 HydrophobicContact CD2-CB 3.98Å
595E81.8Confident81Confident132 Ų13295.1 Ų95.162%0.61745%0.446SS*.Hα-helixtrans-64.3-38.8177.7-74.5-177.6-16400112.9K591 E593 A599K591-E595 WeakPolarHBondContact O-CG 3.46Å; K591-E595 PolarHBondContact O-N 3.4Å; E593-E595 PolarHBondContact O-N 3.42Å; E595-A599 VanDerWaalsContact O-CB 3.23Å; E595-A599 WeakPolarHBondContact O-CB 3.26Å; E595-A599 PolarHBondContact O-N 3.34Å
596Q78.4Confident80.7Confident100 Ų10097 Ų9747%0.46745%0.45SS..Hα-helixtrans-61.4-47.7173.7-81.3172.59000110.8E592 E593 L594 A599 E600E592-Q596 WeakPolarHBondContact O-CB 3.37Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3Å; E592-Q596 PolarHBondContact O-NE2 2.74Å; E593-Q596 WeakPolarHBondContact O-CB 3.48Å; E593-Q596 PolarHBondContact O-N 2.94Å; L594-Q596 PolarHBondContact O-N 3.05Å; Q596-A599 CarbonylContact O-C 3.35Å; Q596-A599 WeakPolarHBondContact O-CA 3.39Å; Q596-A599 WeakPolarHBondContact O-CB 3.43Å; Q596-A599 PolarHBondContact O-N 2.9Å; Q596-A599 VanDerWaalsContact O-N 3.12Å; Q596-E600 WeakPolarHBondContact O-CG 3.45Å; Q596-E600 PolarHBondContact O-N 3.09Å; Q596-E600 VanDerWaalsContact O-OE1 3.1Å
597R80.5Confident80.5Confident69 Ų6996.2 Ų96.226%0.2645%0.453SS..Hα-helixtrans-70.1-35.2-175.9-72.2-158.2-125.3156.77.9112.7E593 L594 E600 M601 A983 G984 D985E593-R597 VanDerWaalsContact O-CB 3.31Å; E593-R597 WeakPolarHBondContact O-CB 3.43Å; E593-R597 VanDerWaalsContact O-CG 3.26Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.15Å; E593-R597 IonicContact OE2-CZ 2.82Å; E593-R597 IonicContact OE2-NE 3.61Å; E593-R597 IonicContact OE2-NH2 2.69Å; E593-R597 PolarHBondContact OE2-NH2 3.06Å; L594-R597 PolarHBondContact O-N 3.36Å; R597-E600 WeakPolarHBondContact O-CB 3.41Å; R597-E600 PolarHBondContact O-N 3.08Å; R597-M601 PolarHBondContact O-N 3.14Å; R597-M601 VanDerWaalsContact O-N 3.15Å; R597-A983 HydrophobicContact CG-CB 4.02Å; R597-G984 WeakPolarHBondContact CD-O 3.47Å; R597-D985 HydrophobicContact CB-CB 3.78Å; R597-D985 WeakPolarHBondContact CD-OD2 3.37Å; R597-D985 IonicContact CZ-OD1 3.63Å; R597-D985 IonicContact CZ-OD2 2.89Å; R597-D985 IonicContact NE-OD2 3.38Å; R597-D985 PolarHBondContact NE-OD2 3.43Å; R597-D985 VanDerWaalsContact NE-OD2 3.1Å; R597-D985 IonicContact NH1-OD1 2.93Å; R597-D985 PolarHBondContact NH1-OD1 3.32Å; R597-D985 IonicContact NH1-OD2 2.99Å; R597-D985 PolarHBondContact NH1-OD2 2.95Å; R597-D985 IonicContact NH2-OD2 3.45Å
598E77.3Confident79.8Confident102 Ų10297.6 Ų97.648%0.47746%0.458SS..Hα-helixtrans-59.4-48.8164-81.7-151.4119.500111.7L594 E600 M601 Q602L594-E598 PolarHBondContact O-N 2.8Å; E598-E600 PolarHBondContact O-N 3.2Å; E598-M601 PolarHBondContact O-N 3.47Å; E598-Q602 WeakPolarHBondContact O-CG 3.18Å; E598-Q602 PolarHBondContact O-N 3.49Å
599A82.4Confident79.3Confident35 Ų3596.9 Ų96.929%0.28946%0.455SS..Hα-helixtrans-68.87.9179.100000114E595 Q596 R982E595-A599 VanDerWaalsContact O-CB 3.23Å; E595-A599 WeakPolarHBondContact O-CB 3.26Å; E595-A599 PolarHBondContact O-N 3.34Å; Q596-A599 CarbonylContact O-C 3.35Å; Q596-A599 WeakPolarHBondContact O-CA 3.39Å; Q596-A599 WeakPolarHBondContact O-CB 3.43Å; Q596-A599 PolarHBondContact O-N 2.9Å; Q596-A599 VanDerWaalsContact O-N 3.12Å; A599-R982 PolarHBondContact O-NH1 3.24Å
600E76.6Confident78.8Confident13 Ų1396.4 Ų96.46%0.06146%0.458CS..Hα-helixtrans-114.4-45.3177.9-71.4153.9-166.800109.9Q596 R597 E598 Q602 K603 V604 R982 A983Q596-E600 WeakPolarHBondContact O-CG 3.45Å; Q596-E600 PolarHBondContact O-N 3.09Å; Q596-E600 VanDerWaalsContact O-OE1 3.1Å; R597-E600 WeakPolarHBondContact O-CB 3.41Å; R597-E600 PolarHBondContact O-N 3.08Å; E598-E600 PolarHBondContact O-N 3.2Å; E600-Q602 PolarHBondContact O-N 3.48Å; E600-K603 WeakPolarHBondContact O-CA 3.29Å; E600-K603 WeakPolarHBondContact O-CB 3.5Å; E600-K603 PolarHBondContact O-N 2.89Å; E600-V604 PolarHBondContact O-N 2.97Å; E600-R982 VanDerWaalsContact CD-CG 3.43Å; E600-R982 HydrophobicContact CG-CB 3.83Å; E600-R982 HydrophobicContact CG-CG 3.73Å; E600-R982 VanDerWaalsContact CG-CZ 3.43Å; E600-R982 WeakPolarHBondContact OE1-CD 3.49Å; E600-R982 WeakPolarHBondContact OE1-CG 3.42Å; E600-R982 IonicContact OE1-CZ 2.78Å; E600-R982 IonicContact OE1-NE 3.19Å; E600-R982 PolarHBondContact OE1-NE 3.27Å; E600-R982 IonicContact OE1-NH1 2.79Å; E600-R982 IonicContact OE1-NH2 2.65Å; E600-R982 PolarHBondContact OE1-NH2 3.23Å; E600-A983 WeakPolarHBondContact CB-O 3.38Å; E600-A983 WeakPolarHBondContact OE2-CA 3Å; E600-A983 WeakPolarHBondContact OE2-CB 3.4Å; E600-A983 PolarHBondContact OE2-N 3.26Å
601M71.7Confident78.6Confident88 Ų8898.6 Ų98.643%0.43346%0.461SS..Hα-helixtrans-54.4-39.8162.9-69.3-66.2-81.400112R597 E598 K603 V604 R605R597-M601 PolarHBondContact O-N 3.14Å; R597-M601 VanDerWaalsContact O-N 3.15Å; E598-M601 PolarHBondContact O-N 3.47Å; M601-K603 VanDerWaalsContact C-N 3.27Å; M601-K603 PolarHBondContact O-N 2.85Å; M601-V604 PolarHBondContact O-N 3.5Å; M601-R605 WeakPolarHBondContact O-CG 3.37Å; M601-R605 PolarHBondContact O-N 3.13Å; M601-R605 VanDerWaalsContact O-N 3.11Å
602Q77Confident77.9Confident99 Ų9998 Ų9846%0.46346%0.463SS..Hα-helixtrans-64.9-25172.7-71.5-174.629.600114.1E598 E600 K606E598-Q602 WeakPolarHBondContact O-CG 3.18Å; E598-Q602 PolarHBondContact O-N 3.49Å; E600-Q602 PolarHBondContact O-N 3.48Å; Q602-K606 WeakPolarHBondContact O-CG 3.36Å; Q602-K606 PolarHBondContact O-N 3.29Å
603K81.3Confident77.6Confident117 Ų11799.3 Ų99.351%0.50946%0.463SS..Hα-helixtrans-84.3-37.6176.2-75.9-178.5-179173.50112.1E600 M601 K606 A607E600-K603 WeakPolarHBondContact O-CA 3.29Å; E600-K603 WeakPolarHBondContact O-CB 3.5Å; E600-K603 PolarHBondContact O-N 2.89Å; M601-K603 VanDerWaalsContact C-N 3.27Å; M601-K603 PolarHBondContact O-N 2.85Å; K603-K606 PolarHBondContact O-N 3.03Å; K603-A607 PolarHBondContact O-N 3.46Å
604V81.6Confident77.1Confident82 Ų82100.3 Ų100.350%0.49747%0.468SS..Hα-helixtrans-57.8-50.4171.8176.20000109.9E600 M601 K606 A607 E608E600-V604 PolarHBondContact O-N 2.97Å; M601-V604 PolarHBondContact O-N 3.5Å; V604-K606 VanDerWaalsContact C-N 3.29Å; V604-K606 PolarHBondContact O-N 3.21Å; V604-A607 PolarHBondContact O-N 2.96Å; V604-E608 HydrophobicContact CG1-CG 4.46Å; V604-E608 PolarHBondContact O-N 3.4Å
605R76.1Confident76.7Confident171 Ų171101.3 Ų101.365%0.64547%0.472SS*.Hα-helixtrans-55.7-40176.8-71.4178.3-177.3172.84.1113.4M601 E609M601-R605 WeakPolarHBondContact O-CG 3.37Å; M601-R605 PolarHBondContact O-N 3.13Å; M601-R605 VanDerWaalsContact O-N 3.11Å; R605-E609 PolarHBondContact O-N 2.89Å
606K78.4Confident76.2Confident126 Ų12697.2 Ų97.255%0.54846%0.46SS..Hα-helixtrans-69.2-38.4176.8-74.2173-179.2174.50112.3Q602 K603 V604 E609 E610Q602-K606 WeakPolarHBondContact O-CG 3.36Å; Q602-K606 PolarHBondContact O-N 3.29Å; K603-K606 PolarHBondContact O-N 3.03Å; V604-K606 VanDerWaalsContact C-N 3.29Å; V604-K606 PolarHBondContact O-N 3.21Å; K606-E609 PolarHBondContact O-N 3.5Å; K606-E610 WeakPolarHBondContact O-CB 3.35Å; K606-E610 WeakPolarHBondContact O-CG 3.45Å; K606-E610 PolarHBondContact O-N 3.46Å
607A79.5Confident76Confident56 Ų5698.4 Ų98.446%0.46346%0.464SS..Hα-helixtrans-68-36.3175.200000112.6K603 V604 E610 R611K603-A607 PolarHBondContact O-N 3.46Å; V604-A607 PolarHBondContact O-N 2.96Å; A607-E610 PolarHBondContact O-N 2.91Å; A607-R611 PolarHBondContact O-N 3.48Å
608E72.4Confident75.4Confident119 Ų119100.7 Ų100.756%0.55648%0.477SS*.Hα-helixtrans-66-42.7172.1-70.1-177.6133.600111.7V604 E610 R611 L612V604-E608 HydrophobicContact CG1-CG 4.46Å; V604-E608 PolarHBondContact O-N 3.4Å; E608-E610 VanDerWaalsContact C-N 3.35Å; E608-E610 PolarHBondContact O-N 2.76Å; E608-R611 PolarHBondContact O-N 2.77Å; E608-L612 PolarHBondContact O-N 3.38Å
609E71.4Confident74.8Confident94 Ų94102.9 Ų102.944%0.43948%0.481SS..Hα-helixtrans-63.1-40.6174.7-158.3-166.1163.800111.7R605 K606 L612 R613R605-E609 PolarHBondContact O-N 2.89Å; K606-E609 PolarHBondContact O-N 3.5Å; E609-L612 PolarHBondContact O-N 3.02Å; E609-R613 WeakPolarHBondContact O-CB 3.16Å; E609-R613 WeakPolarHBondContact O-CD 3.24Å; E609-R613 WeakPolarHBondContact O-CG 3.29Å; E609-R613 PolarHBondContact O-N 3.49Å; E609-R613 IonicContact OE1-CZ 2.98Å; E609-R613 IonicContact OE1-NE 3.97Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.76Å; E609-R613 PolarHBondContact OE1-NH2 3.42Å; E609-R613 IonicContact OE2-NH2 2.85Å
610E73.4Confident73.8Confident119 Ų119107 Ų10756%0.55649%0.494SS*.Hα-helixtrans-65-38.9174.6-76.7179.9178.700112.4K606 A607 E608 R613 Q614K606-E610 WeakPolarHBondContact O-CB 3.35Å; K606-E610 WeakPolarHBondContact O-CG 3.45Å; K606-E610 PolarHBondContact O-N 3.46Å; A607-E610 PolarHBondContact O-N 2.91Å; E608-E610 VanDerWaalsContact C-N 3.35Å; E608-E610 PolarHBondContact O-N 2.76Å; E610-R613 PolarHBondContact O-N 3.08Å; E610-Q614 VanDerWaalsContact O-CG 3.32Å; E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.44Å
611R79.6Confident73.3Confident161 Ų161112.5 Ų112.561%0.60852%0.518SS*.Hα-helixtrans-61.4-47.5171.4-97.8-146.864-160.4-10.6112.4A607 E608 R613 Q614 E615A607-R611 PolarHBondContact O-N 3.48Å; E608-R611 PolarHBondContact O-N 2.77Å; R611-R613 VanDerWaalsContact C-N 3.31Å; R611-R613 PolarHBondContact O-N 3.28Å; R611-Q614 PolarHBondContact O-N 3.3Å; R611-Q614 VanDerWaalsContact O-N 3.14Å; R611-E615 IonicContact NH2-OE2 2.65Å; R611-E615 PolarHBondContact O-N 2.92Å
612L73Confident73Confident112 Ų112114.4 Ų114.459%0.58653%0.526SS*.Hα-helixtrans-62.4-38.3177.3-77.7163.3000111.8E608 E609 Q614 E615 A616E608-L612 PolarHBondContact O-N 3.38Å; E609-L612 PolarHBondContact O-N 3.02Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; L612-Q614 PolarHBondContact O-N 2.76Å; L612-E615 PolarHBondContact O-N 2.98Å; L612-A616 WeakPolarHBondContact O-CB 3.45Å; L612-A616 PolarHBondContact O-N 3.3Å
613R73.8Confident72.5Confident140 Ų140118.3 Ų118.353%0.52854%0.537SS..Hα-helixtrans-68.1-26.9174.2-72.8166.4174.7-141.42.2113.3E609 E610 R611 K617E609-R613 WeakPolarHBondContact O-CB 3.16Å; E609-R613 WeakPolarHBondContact O-CD 3.24Å; E609-R613 WeakPolarHBondContact O-CG 3.29Å; E609-R613 PolarHBondContact O-N 3.49Å; E609-R613 IonicContact OE1-CZ 2.98Å; E609-R613 IonicContact OE1-NE 3.97Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.76Å; E609-R613 PolarHBondContact OE1-NH2 3.42Å; E609-R613 IonicContact OE2-NH2 2.85Å; E610-R613 PolarHBondContact O-N 3.08Å; R611-R613 VanDerWaalsContact C-N 3.31Å; R611-R613 PolarHBondContact O-N 3.28Å; R613-K617 WeakPolarHBondContact O-CD 3.23Å; R613-K617 VanDerWaalsContact O-CG 3.23Å; R613-K617 WeakPolarHBondContact O-CG 3.46Å; R613-K617 PolarHBondContact O-N 3.24Å
614Q72.1Confident71.5Confident120 Ų120117.1 Ų117.156%0.56154%0.535SS*.Hα-helixtrans-74.8-49.4172.5-73.1169.613.600110.7E610 R611 L612 A616 K617 E618E610-Q614 VanDerWaalsContact O-CG 3.32Å; E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.44Å; R611-Q614 PolarHBondContact O-N 3.3Å; R611-Q614 VanDerWaalsContact O-N 3.14Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; L612-Q614 PolarHBondContact O-N 2.76Å; Q614-A616 VanDerWaalsContact C-N 3.29Å; Q614-A616 PolarHBondContact O-N 2.76Å; Q614-K617 WeakPolarHBondContact O-CB 3.46Å; Q614-K617 PolarHBondContact O-N 3.31Å; Q614-E618 PolarHBondContact O-N 3.05Å
615E73.4Confident70.3Confident73 Ų73119.7 Ų119.734%0.34154%0.543SS..Hα-helixtrans-62.8-33.5179.5-163.5-168.6114.600112.9R611 L612 R619R611-E615 IonicContact NH2-OE2 2.65Å; R611-E615 PolarHBondContact O-N 2.92Å; L612-E615 PolarHBondContact O-N 2.98Å; E615-R619 PolarHBondContact O-N 3.05Å; E615-R619 IonicContact OE1-CZ 3.86Å; E615-R619 IonicContact OE1-NH2 3.3Å; E615-R619 PolarHBondContact OE1-NH2 3.21Å
616A71.3Confident69.6Low45 Ų45117.9 Ų117.937%0.37254%0.542SS..Hα-helixtrans-64.9-45.817100000112.1L612 Q614 E618 R619 E620L612-A616 WeakPolarHBondContact O-CB 3.45Å; L612-A616 PolarHBondContact O-N 3.3Å; Q614-A616 VanDerWaalsContact C-N 3.29Å; Q614-A616 PolarHBondContact O-N 2.76Å; A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.21Å; A616-R619 PolarHBondContact O-N 3.4Å; A616-E620 PolarHBondContact O-N 3.47Å
617K72.5Confident68.5Low125 Ų125117.7 Ų117.754%0.54354%0.543SS..Hα-helixtrans-66.1-27179.3-76.1172.8-178.1-179.90113.2R613 Q614 K621R613-K617 WeakPolarHBondContact O-CD 3.23Å; R613-K617 VanDerWaalsContact O-CG 3.23Å; R613-K617 WeakPolarHBondContact O-CG 3.46Å; R613-K617 PolarHBondContact O-N 3.24Å; Q614-K617 WeakPolarHBondContact O-CB 3.46Å; Q614-K617 PolarHBondContact O-N 3.31Å; K617-K621 WeakPolarHBondContact O-CD 3.49Å; K617-K621 WeakPolarHBondContact O-CG 3.4Å; K617-K621 PolarHBondContact O-N 2.91Å; K617-K621 VanDerWaalsContact O-N 3.1Å
618E67.9Low67.5Low118 Ų118119.8 Ų119.855%0.55154%0.543SS*.Hα-helixtrans-71.7-45.7174.2-72.2173.9161.200110.8Q614 A616 E620 K621 E622Q614-E618 PolarHBondContact O-N 3.05Å; A616-E618 VanDerWaalsContact C-N 3.27Å; A616-E618 PolarHBondContact O-N 3.21Å; E618-E620 VanDerWaalsContact C-N 3.3Å; E618-E620 PolarHBondContact O-N 2.94Å; E618-K621 PolarHBondContact O-N 2.95Å; E618-K621 VanDerWaalsContact O-N 3.15Å; E618-E622 PolarHBondContact O-N 2.91Å
619R64.6Low66.8Low147 Ų147120.1 Ų120.156%0.55554%0.544SS*.Hα-helixtrans-65-27.7173.7-74.2-173.4-85.6151.1-17.1114.3E615 A616E615-R619 PolarHBondContact O-N 3.05Å; E615-R619 IonicContact OE1-CZ 3.86Å; E615-R619 IonicContact OE1-NH2 3.3Å; E615-R619 PolarHBondContact OE1-NH2 3.21Å; A616-R619 PolarHBondContact O-N 3.4Å
620E61.3Low66Low121 Ų121122.4 Ų122.457%0.56556%0.555SS**Hα-helixtrans-71.3-43.6169.6-73.2-176.4143.400112.2A616 E618 E622 R623 I624A616-E620 PolarHBondContact O-N 3.47Å; E618-E620 VanDerWaalsContact C-N 3.3Å; E618-E620 PolarHBondContact O-N 2.94Å; E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 3.34Å; E620-R623 PolarHBondContact O-N 3.07Å; E620-I624 WeakPolarHBondContact O-CG1 3.21Å; E620-I624 PolarHBondContact O-N 2.89Å
621K67.3Low65.2Low129 Ų129121.3 Ų121.356%0.56155%0.552SS**Hα-helixtrans-60.3-41.3177.5-75.6165.8-176.21760112.4K617 E618 R623 I624 M625K617-K621 WeakPolarHBondContact O-CD 3.49Å; K617-K621 WeakPolarHBondContact O-CG 3.4Å; K617-K621 PolarHBondContact O-N 2.91Å; K617-K621 VanDerWaalsContact O-N 3.1Å; E618-K621 PolarHBondContact O-N 2.95Å; E618-K621 VanDerWaalsContact O-N 3.15Å; K621-R623 VanDerWaalsContact C-N 3.33Å; K621-R623 PolarHBondContact O-N 3.36Å; K621-I624 PolarHBondContact O-N 3.09Å; K621-M625 WeakPolarHBondContact O-CB 3.27Å; K621-M625 WeakPolarHBondContact O-CG 3.5Å; K621-M625 PolarHBondContact O-N 2.67Å
622E64.3Low63.9Low128 Ų128119.5 Ų119.560%0.59855%0.549SS*.Hα-helixtrans-61.9-39.2178.6-71.3-177.4147.400112.5E618 E620 Q626E618-E622 PolarHBondContact O-N 2.91Å; E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 3.34Å; E622-Q626 WeakPolarHBondContact O-CG 3.16Å; E622-Q626 PolarHBondContact O-N 3.27Å
623R66.9Low63.1Low182 Ų182122.1 Ų122.169%0.68756%0.555SS**Hα-helixtrans-65.4-49.8173.8-71.9179.9168.6-163.9-5.2111.8E620 K621 M625 Q626 E627E620-R623 PolarHBondContact O-N 3.07Å; K621-R623 VanDerWaalsContact C-N 3.33Å; K621-R623 PolarHBondContact O-N 3.36Å; R623-M625 VanDerWaalsContact C-N 3.26Å; R623-M625 PolarHBondContact O-N 2.99Å; R623-Q626 PolarHBondContact O-N 2.81Å; R623-Q626 VanDerWaalsContact O-N 3.15Å; R623-E627 PolarHBondContact O-N 3.43Å; R623-E627 VanDerWaalsContact O-N 3.1Å
624I61.8Low62.3Low91 Ų91122.8 Ų122.847%0.46756%0.562SS.*Hα-helixtrans-62.5-34.3-178.7-67166.3000111.4E620 K621 H628E620-I624 WeakPolarHBondContact O-CG1 3.21Å; E620-I624 PolarHBondContact O-N 2.89Å; K621-I624 PolarHBondContact O-N 3.09Å; I624-H628 WeakPolarHBondContact O-CB 3.18Å; I624-H628 PolarHBondContact O-N 3.1Å
625M54.8Low61.4Low136 Ų136119.4 Ų119.467%0.6755%0.55SS*.Hα-helixtrans-60.3-48.2173.8-74.5-93-77.300111.9K621 R623 E627 H628 E629K621-M625 WeakPolarHBondContact O-CB 3.27Å; K621-M625 WeakPolarHBondContact O-CG 3.5Å; K621-M625 PolarHBondContact O-N 2.67Å; R623-M625 VanDerWaalsContact C-N 3.26Å; R623-M625 PolarHBondContact O-N 2.99Å; M625-E627 PolarHBondContact O-N 3.32Å; M625-H628 PolarHBondContact O-N 3.37Å; M625-E629 PolarHBondContact O-N 2.83Å; M625-E629 VanDerWaalsContact O-N 3.13Å
626Q61.3Low60.4Low133 Ų133120.6 Ų120.662%0.62156%0.562SS**Hα-helixtrans-66.9-36.1-179.2-67.2177.31000112.3E622 R623E622-Q626 WeakPolarHBondContact O-CG 3.16Å; E622-Q626 PolarHBondContact O-N 3.27Å; R623-Q626 PolarHBondContact O-N 2.81Å; R623-Q626 VanDerWaalsContact O-N 3.15Å
627E56.2Low59.6Low123 Ų123128.2 Ų128.258%0.57558%0.581SS**Hα-helixtrans-66.9-42.1172.8-69.1175.8173.600111.6R623 M625 E629 Q630 I631R623-E627 PolarHBondContact O-N 3.43Å; R623-E627 VanDerWaalsContact O-N 3.1Å; M625-E627 PolarHBondContact O-N 3.32Å; E627-E629 PolarHBondContact O-N 2.97Å; E627-Q630 PolarHBondContact O-N 2.92Å; E627-I631 PolarHBondContact O-N 3.09Å
628H58.2Low58.6Low99 Ų99127.4 Ų127.446%0.45858%0.579SS.*Hα-helixtrans-66-32.3179.7-111.4-58.5000113.9I624 M625 Q630 I631 K632I624-H628 WeakPolarHBondContact O-CB 3.18Å; I624-H628 PolarHBondContact O-N 3.1Å; M625-H628 PolarHBondContact O-N 3.37Å; H628-Q630 VanDerWaalsContact C-N 3.34Å; H628-I631 PolarHBondContact O-N 3.38Å; H628-K632 WeakPolarHBondContact O-CB 3.47Å; H628-K632 WeakPolarHBondContact O-CD 3.41Å; H628-K632 WeakPolarHBondContact O-CG 3.22Å; H628-K632 PolarHBondContact O-N 3.28Å
629E57.3Low57.8Low126 Ų126130 Ų13059%0.58958%0.584SS**Hα-helixtrans-65.2-36.9174.9-71.4-159.9133.600112.7M625 E627 K633M625-E629 PolarHBondContact O-N 2.83Å; M625-E629 VanDerWaalsContact O-N 3.13Å; E627-E629 PolarHBondContact O-N 2.97Å; E629-K633 PolarHBondContact O-N 2.99Å
630Q55.5Low57Low143 Ų143129.3 Ų129.367%0.66859%0.591SS**Hα-helixtrans-71.6-33.5178.2-62-172.728.300112E627 H628E627-Q630 PolarHBondContact O-N 2.92Å; H628-Q630 VanDerWaalsContact C-N 3.34Å
631I55.3Low56.6Low96 Ų96130.8 Ų130.849%0.49260%0.597SS.*Hα-helixtrans-73.2-37.9175.2-64.9168.9000111.6E627 H628 K633 K634 T635E627-I631 PolarHBondContact O-N 3.09Å; H628-I631 PolarHBondContact O-N 3.38Å; I631-K633 VanDerWaalsContact C-N 3.32Å; I631-K633 PolarHBondContact O-N 3.37Å; I631-K634 PolarHBondContact O-N 3.18Å; I631-T635 HydrophobicContact CG2-CG2 4.34Å; I631-T635 PolarHBondContact O-N 3.09Å; I631-T635 VanDerWaalsContact O-N 3.14Å; I631-T635 PolarHBondContact O-OG1 3.24Å
632K53.2Low56Low123 Ų123130.8 Ų130.854%0.53560%0.599SS.*Hα-helixtrans-59.8-39.2175.6-76.8166.8-175.9175.60112.3H628 K634 T635 V636H628-K632 WeakPolarHBondContact O-CB 3.47Å; H628-K632 WeakPolarHBondContact O-CD 3.41Å; H628-K632 WeakPolarHBondContact O-CG 3.22Å; H628-K632 PolarHBondContact O-N 3.28Å; K632-K634 PolarHBondContact O-N 3.33Å; K632-T635 WeakPolarHBondContact CA-OG1 3.42Å; K632-T635 PolarHBondContact O-OG1 2.9Å; K632-V636 WeakPolarHBondContact O-CG2 3.35Å; K632-V636 PolarHBondContact O-N 3.47Å
633K56.1Low55.5Low166 Ų166129.8 Ų129.872%0.72260%0.597SS**Hα-helixtrans-68-15.3178.9-73.3177.1-180172.30114.9E629 I631E629-K633 PolarHBondContact O-N 2.99Å; I631-K633 VanDerWaalsContact C-N 3.32Å; I631-K633 PolarHBondContact O-N 3.37Å
634K57.3Low54.7Low155 Ų155130.3 Ų130.367%0.67460%0.604SS**Hα-helixtrans-94-49.5172.7-66.4-178.7178.8178.60111.7I631 K632 V636 R637I631-K634 PolarHBondContact O-N 3.18Å; K632-K634 PolarHBondContact O-N 3.33Å; K634-V636 PolarHBondContact O-N 2.97Å; K634-V636 VanDerWaalsContact O-N 3.14Å; K634-R637 PolarHBondContact O-N 3.21Å
635T53Low54.5Low49 Ų49134.8 Ų134.830%0.30162%0.62SS.*Hα-helixtrans-64.3-19.4-176.847.70000115I631 K632 R637 R639I631-T635 HydrophobicContact CG2-CG2 4.34Å; I631-T635 PolarHBondContact O-N 3.09Å; I631-T635 VanDerWaalsContact O-N 3.14Å; I631-T635 PolarHBondContact O-OG1 3.24Å; K632-T635 WeakPolarHBondContact CA-OG1 3.42Å; K632-T635 PolarHBondContact O-OG1 2.9Å; T635-R637 VanDerWaalsContact C-N 3.33Å; T635-R639 WeakPolarHBondContact O-CB 3.35Å; T635-R639 WeakPolarHBondContact O-CG 3.48Å; T635-R639 PolarHBondContact O-N 3.06Å
636V51.8Low54.6Low98 Ų98132.5 Ų132.559%0.59461%0.614SS**Hα-helixtrans-65.5-32171.6165.80000112.8K632 K634K632-V636 WeakPolarHBondContact O-CG2 3.35Å; K632-V636 PolarHBondContact O-N 3.47Å; K634-V636 PolarHBondContact O-N 2.97Å; K634-V636 VanDerWaalsContact O-N 3.14Å
637R54.3Low54.2Low205 Ų205134.1 Ų134.177%0.77462%0.622SS**Hα-helixtrans-75.6-39.4176.6-68.6-179.2177.2164.1-0.6111.8K634 T635 L640K634-R637 PolarHBondContact O-N 3.21Å; T635-R637 VanDerWaalsContact C-N 3.33Å; R637-L640 PolarHBondContact O-N 2.94Å
638E53.1Low54Low108 Ų108134.8 Ų134.851%0.50563%0.628SS.*Hα-helixtrans-72.3-29.5-179.4-65.6159.2169.700112.4E641 Q642E638-E641 PolarHBondContact O-N 3.38Å; E638-Q642 PolarHBondContact O-N 2.86Å
639R51.2Low53.8Low171 Ų171131.6 Ų131.665%0.64562%0.622SS**Hα-helixtrans-71.4-25.1176.2-79.5179.2170.7-165.3-4.6114.3T635 E641 Q642 I643T635-R639 WeakPolarHBondContact O-CB 3.35Å; T635-R639 WeakPolarHBondContact O-CG 3.48Å; T635-R639 PolarHBondContact O-N 3.06Å; R639-E641 PolarHBondContact O-N 3.33Å; R639-Q642 PolarHBondContact O-N 3.43Å; R639-I643 WeakPolarHBondContact O-CG1 3.37Å; R639-I643 PolarHBondContact O-N 3.36Å
640L46.3Very low53.7Low134 Ų134128.9 Ų128.970%0.70262%0.622SS**Hα-helixtrans-63.2-30173.6-103161000112.5R637R637-L640 PolarHBondContact O-N 2.94Å
641E54.5Low53.8Low152 Ų152130.4 Ų130.471%0.7163%0.626SS**Hα-helixtrans-88.8-25.1179-60.3-168142.700113.5E638 R639E638-E641 PolarHBondContact O-N 3.38Å; R639-E641 PolarHBondContact O-N 3.33Å
642Q53.5Low53.7Low128 Ų128127.9 Ų127.960%0.59862%0.62SS**Hα-helixtrans-83.9-25.4-177-68.9-179.7-0.900113.8E638 R639 K644 K645E638-Q642 PolarHBondContact O-N 2.86Å; R639-Q642 PolarHBondContact O-N 3.43Å; Q642-K644 PolarHBondContact O-N 2.57Å; Q642-K645 PolarHBondContact O-N 2.95Å; Q642-K645 VanDerWaalsContact O-N 3.12Å
643I53.8Low53.6Low108 Ų108129 Ų12955%0.55463%0.625SS**G310 helixtrans-66.5-25.2175.8-69.1170.4000111.7R639 K645R639-I643 WeakPolarHBondContact O-CG1 3.37Å; R639-I643 PolarHBondContact O-N 3.36Å; I643-K645 PolarHBondContact O-N 3.32Å; I643-K645 VanDerWaalsContact O-N 3.14Å
644K51.2Low53.6Low192 Ų192128.9 Ų128.984%0.83562%0.624SS**G310 helixtrans-68.2-2.4171.6-83.1-173.2173.2179.80115Q642Q642-K644 PolarHBondContact O-N 2.57Å
645K56.6Low53.1Low186 Ų186128.9 Ų128.981%0.80963%0.631SS**G310 helixtrans-134.520.1-171.2-65.6-178.1179.6171.90115.2Q642 I643Q642-K645 PolarHBondContact O-N 2.95Å; Q642-K645 VanDerWaalsContact O-N 3.12Å; I643-K645 PolarHBondContact O-N 3.32Å; I643-K645 VanDerWaalsContact O-N 3.14Å
646T56.8Low53Low88 Ų88133 Ų13354%0.5465%0.651SS.*SBendtrans-127.4140.6176.947.70000112.5L648 G649T646-L648 PolarHBondContact O-N 3.32Å; T646-G649 PolarHBondContact O-N 2.95Å
647E53Low52.6Low167 Ų167134.8 Ų134.878%0.7866%0.656SS**THydrogen-bonded Turntrans-66.6-12.4-164.6-58.5-172.8140.500115.4G649 A650E647-G649 VanDerWaalsContact C-N 3.32Å; E647-A650 PolarHBondContact O-N 3.13Å
648L52.3Low52.6Low136 Ų136131.6 Ų131.671%0.71265%0.654SS**THydrogen-bonded Turntrans-70.4-27.4172.8-75.2164.1000112.4T646T646-L648 PolarHBondContact O-N 3.32Å
649G54.5Low52.7Low32 Ų32135.9 Ų135.933%0.3367%0.674SS.*G310 helixtrans-67.3-37.5172.600000112.8T646 E647 K651 A652T646-G649 PolarHBondContact O-N 2.95Å; E647-G649 VanDerWaalsContact C-N 3.32Å; G649-K651 PolarHBondContact O-N 3.17Å; G649-K651 VanDerWaalsContact O-N 3.13Å; G649-A652 PolarHBondContact O-N 3.12Å
650A55.4Low52.9Low70 Ų70134.3 Ų134.358%0.57968%0.678SS**G310 helixtrans-75.42.8-174.400000115.3E647E647-A650 PolarHBondContact O-N 3.13Å
651K55.8Low53.3Low175 Ų175133.3 Ų133.376%0.76167%0.673SS**G310 helixtrans-120.1-4.1177.7-70.5178.7179.61700114G649G649-K651 PolarHBondContact O-N 3.17Å; G649-K651 VanDerWaalsContact O-N 3.13Å
652A53.2Low53.3Low43 Ų43135.5 Ų135.536%0.35568%0.683SS.*THydrogen-bonded Turntrans-103.6-12.5-17600000114.6G649 K672G649-A652 PolarHBondContact O-N 3.12Å; A652-K672 PolarHBondContact O-NZ 3.38Å; A652-K672 VanDerWaalsContact O-NZ 3.16Å
653F52.2Low53.4Low147 Ų147138.3 Ų138.365%0.64570%0.696SS**  trans-138.596.3-178.8-59.4-85000108.6
654K56.1Low53.3Low162 Ų162141 Ų14170%0.70471%0.711SS**SBendtrans-129.8-15.2-179.6-96.8-162.2167.8-160.60115.6
655D47.5Very low53.5Low155 Ų155137.4 Ų137.483%0.82970%0.701SS**SBendtrans-136.127.4-162.6-47.2-79.5000112.7
656I49.1Very low53.6Low137 Ų137133 Ų13370%0.70369%0.691SS**SBendtrans-140.9135.8171.4-55.5-178.6000108.4
657D43.9Very low53.5Low134 Ų134134 Ų13472%0.71769%0.693SS**  trans-87.9175.7-171.7-75.1-58.4000114.7
658I55.4Low53.7Low139 Ų139133 Ų13371%0.71369%0.686SS**SBendtrans-90.1-11-154.8-71.5172.7000115.2L661I658-L661 VanDerWaalsContact O-CB 3.27Å; I658-L661 WeakPolarHBondContact O-CB 3.45Å
659E53.8Low53.8Low198 Ų198131.9 Ų131.993%0.92568%0.68SS**SBendtrans-100.2-9.9-178.7-66.9-173.814900114.5L661E659-L661 PolarHBondContact O-N 3.45Å
660D55.9Low53.9Low137 Ų137135.3 Ų135.373%0.73369%0.689SS**SBendtrans-86.614.1164.4-72.1-38.3000112.1
661L54.7Low54Low114 Ų114134.6 Ų134.660%0.59768%0.683SS**  trans-96.97.8-161.6-140.480.2000115.6I658 E659I658-L661 VanDerWaalsContact O-CB 3.27Å; I658-L661 WeakPolarHBondContact O-CB 3.45Å; E659-L661 PolarHBondContact O-N 3.45Å
662E55.5Low54.2Low198 Ų198130.3 Ų130.393%0.92566%0.664SS**SBendtrans-115.3-4.4179.4-66.2-160.3132.600115.4
663E55.4Low54.2Low187 Ų187133.5 Ų133.587%0.87467%0.672SS**SBendtrans-116.922.9-173.8-65.2-155.9143.900116.6
664L52Low54.6Low164 Ų164130.1 Ų130.186%0.85966%0.663SS**SBendtrans-131.8146.5175.1-79.5176.5000115.7
665D55.4Low55Low117 Ų117127.1 Ų127.163%0.62665%0.651SS**  trans-73.9148.7-154.4-84.8-56.6000117.5D667 F668D665-D667 PolarHBondContact O-N 3.46Å; D665-D667 VanDerWaalsContact O-N 3.13Å; D665-F668 PolarHBondContact O-N 3.03Å; D665-F668 VanDerWaalsContact O-N 3.15Å
666P56.8Low55.6Low93 Ų93124.9 Ų124.960%0.60464%0.636SS**Hα-helixtrans-54-29.8171.7-26.334.9000114.9F668 I669 M670P666-F668 VanDerWaalsContact C-N 3.29Å; P666-F668 PolarHBondContact O-N 2.84Å; P666-I669 WeakPolarHBondContact O-CB 3.47Å; P666-I669 PolarHBondContact O-N 3.22Å; P666-M670 PolarHBondContact O-N 3.09Å
667D56.2Low56.2Low108 Ų108122.7 Ų122.758%0.57863%0.625SS**Hα-helixtrans-69.5-24.2-177.7-77.7-14.5000112.9D665 I669 M670 A671D665-D667 PolarHBondContact O-N 3.46Å; D665-D667 VanDerWaalsContact O-N 3.13Å; D667-I669 VanDerWaalsContact C-N 3.31Å; D667-I669 PolarHBondContact O-N 3.02Å; D667-M670 PolarHBondContact O-N 2.99Å; D667-M670 WeakPolarHBondContact OD1-CE 3.49Å; D667-A671 WeakPolarHBondContact O-CB 3.49Å; D667-A671 PolarHBondContact O-N 3Å
668F56.3Low57.2Low148 Ų148120.8 Ų120.865%0.64961%0.612SS**Hα-helixtrans-70.7-30173.8-161.4-109.1000112.1D665 P666 A671 K672D665-F668 PolarHBondContact O-N 3.03Å; D665-F668 VanDerWaalsContact O-N 3.15Å; P666-F668 VanDerWaalsContact C-N 3.29Å; P666-F668 PolarHBondContact O-N 2.84Å; F668-A671 PolarHBondContact O-N 3.09Å; F668-K672 PolarHBondContact O-N 3.21Å
669I55.6Low58Low111 Ų111119.4 Ų119.457%0.56960%0.601SS**Hα-helixtrans-71.5-40.9173.2-59.7177.6000110.1P666 D667 Q673P666-I669 WeakPolarHBondContact O-CB 3.47Å; P666-I669 PolarHBondContact O-N 3.22Å; D667-I669 VanDerWaalsContact C-N 3.31Å; D667-I669 PolarHBondContact O-N 3.02Å; I669-Q673 PolarHBondContact O-N 2.75Å
670M56Low58.7Low105 Ų105116 Ų11652%0.51758%0.584SS.*Hα-helixtrans-64.9-38.5171.2-73.1-157.3-68.800112.3P666 D667 Q673 V674P666-M670 PolarHBondContact O-N 3.09Å; D667-M670 PolarHBondContact O-N 2.99Å; D667-M670 WeakPolarHBondContact OD1-CE 3.49Å; M670-Q673 CarbonylContact O-C 3.57Å; M670-Q673 PolarHBondContact O-N 3.43Å; M670-Q673 VanDerWaalsContact O-N 3.15Å; M670-V674 WeakPolarHBondContact O-CG2 3.43Å; M670-V674 PolarHBondContact O-N 3Å
671A57.2Low59.3Low55 Ų55116.2 Ų116.246%0.45558%0.579SS.*Hα-helixtrans-60.5-48.5179.500000112.6D667 F668 Q673 V674 E675D667-A671 WeakPolarHBondContact O-CB 3.49Å; D667-A671 PolarHBondContact O-N 3Å; F668-A671 PolarHBondContact O-N 3.09Å; A671-Q673 VanDerWaalsContact C-N 3.29Å; A671-Q673 PolarHBondContact O-N 3.45Å; A671-V674 PolarHBondContact O-N 2.9Å; A671-E675 PolarHBondContact O-N 3.27Å
672K59.8Low60.1Low85 Ų85116.7 Ų116.737%0.3758%0.576SS.*Hα-helixtrans-60.6-36.9173.5-94.2-176.7173.7176.20112.4A652 F668 E675 Q676A652-K672 PolarHBondContact O-NZ 3.38Å; A652-K672 VanDerWaalsContact O-NZ 3.16Å; F668-K672 PolarHBondContact O-N 3.21Å; K672-E675 PolarHBondContact O-N 3.22Å; K672-Q676 PolarHBondContact O-N 3.42Å
673Q53.3Low61Low110 Ų110112.1 Ų112.151%0.51456%0.555SS.*Hα-helixtrans-70.9-35.4178-165.9166.958.400112.3I669 M670 A671 Q676 L677I669-Q673 PolarHBondContact O-N 2.75Å; M670-Q673 CarbonylContact O-C 3.57Å; M670-Q673 PolarHBondContact O-N 3.43Å; M670-Q673 VanDerWaalsContact O-N 3.15Å; A671-Q673 VanDerWaalsContact C-N 3.29Å; A671-Q673 PolarHBondContact O-N 3.45Å; Q673-Q676 PolarHBondContact O-N 2.9Å; Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 2.89Å
674V60.8Low61.6Low76 Ų76108.1 Ų108.146%0.46154%0.539SS..Hα-helixtrans-66.1-42.11711690000111.2M670 A671 Q676 L677 E678M670-V674 WeakPolarHBondContact O-CG2 3.43Å; M670-V674 PolarHBondContact O-N 3Å; A671-V674 PolarHBondContact O-N 2.9Å; V674-Q676 VanDerWaalsContact C-N 3.25Å; V674-Q676 PolarHBondContact O-N 2.97Å; V674-L677 CarbonylContact O-C 3.5Å; V674-L677 PolarHBondContact O-N 2.76Å; V674-L677 VanDerWaalsContact O-N 3.08Å; V674-E678 HydrophobicContact CG1-CG 4.49Å; V674-E678 PolarHBondContact O-N 3.45Å
675E63.9Low62.4Low98 Ų98105.6 Ų105.646%0.45852%0.523SS..Hα-helixtrans-61.6-33.4177.7-154-149.1141.800112.4A671 K672 K679A671-E675 PolarHBondContact O-N 3.27Å; K672-E675 PolarHBondContact O-N 3.22Å; E675-K679 WeakPolarHBondContact O-CG 3.27Å; E675-K679 PolarHBondContact O-N 3.45Å; E675-K679 WeakPolarHBondContact OE1-CE 3.26Å; E675-K679 IonicContact OE1-NZ 3.9Å; E675-K679 PolarHBondContact OE1-NZ 2.92Å
676Q61Low63.2Low109 Ų109106 Ų10651%0.50952%0.521SS..Hα-helixtrans-73.7-40.4171.1-72-173.4-62.400112.5K672 Q673 V674 E678 K679 E680K672-Q676 PolarHBondContact O-N 3.42Å; Q673-Q676 PolarHBondContact O-N 2.9Å; V674-Q676 VanDerWaalsContact C-N 3.25Å; V674-Q676 PolarHBondContact O-N 2.97Å; Q676-E678 PolarHBondContact O-N 3.14Å; Q676-K679 WeakPolarHBondContact O-CB 3.28Å; Q676-K679 PolarHBondContact O-N 2.82Å; Q676-K679 VanDerWaalsContact O-N 3.07Å; Q676-E680 PolarHBondContact O-N 2.69Å
677L61.2Low64.1Low90 Ų90109.1 Ų109.147%0.47152%0.521SS..Hα-helixtrans-63.1-28.1173-73.5167.4000112.8Q673 V674 K681Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 2.89Å; V674-L677 CarbonylContact O-C 3.5Å; V674-L677 PolarHBondContact O-N 2.76Å; V674-L677 VanDerWaalsContact O-N 3.08Å; L677-K681 WeakPolarHBondContact O-CB 3.27Å; L677-K681 WeakPolarHBondContact O-CG 3.5Å; L677-K681 PolarHBondContact O-N 2.95Å
678E64.9Low64.7Low95 Ų95108 Ų10844%0.44451%0.514SS..Hα-helixtrans-73.6-33171.1-72.1-158.3163.400113.2V674 Q676 K681 K682V674-E678 HydrophobicContact CG1-CG 4.49Å; V674-E678 PolarHBondContact O-N 3.45Å; Q676-E678 PolarHBondContact O-N 3.14Å; E678-K681 PolarHBondContact O-N 3.01Å; E678-K682 WeakPolarHBondContact O-CG 3.24Å; E678-K682 PolarHBondContact O-N 3.35Å
679K73.1Confident65.6Low110 Ų110106.7 Ų106.748%0.47851%0.508SS..Hα-helixtrans-68.4-43.6171.1-73.8161.6179.9160.90110.8E675 Q676 K681 K682 E683E675-K679 WeakPolarHBondContact O-CG 3.27Å; E675-K679 PolarHBondContact O-N 3.45Å; E675-K679 WeakPolarHBondContact OE1-CE 3.26Å; E675-K679 IonicContact OE1-NZ 3.9Å; E675-K679 PolarHBondContact OE1-NZ 2.92Å; Q676-K679 WeakPolarHBondContact O-CB 3.28Å; Q676-K679 PolarHBondContact O-N 2.82Å; Q676-K679 VanDerWaalsContact O-N 3.07Å; K679-K681 PolarHBondContact O-N 2.59Å; K679-K682 PolarHBondContact O-N 3.5Å; K679-K682 VanDerWaalsContact O-N 3.14Å; K679-E683 PolarHBondContact O-N 2.86Å
680E67.1Low66.6Low125 Ų125105.3 Ų105.358%0.58450%0.502SS*.Hα-helixtrans-61.7-41171.7-70.1-171.4162.900112.2Q676 K682 E683 L684Q676-E680 PolarHBondContact O-N 2.69Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.2Å; E680-E683 PolarHBondContact O-N 3.41Å; E680-L684 WeakPolarHBondContact O-CB 3.49Å; E680-L684 PolarHBondContact O-N 3.24Å
681K69.1Low67.3Low143 Ų143105.8 Ų105.862%0.62250%0.503SS*.Hα-helixtrans-59.2-41.2171.5-85.6178.4176.5175.60112.4L677 E678 K679 L684 Q685L677-K681 WeakPolarHBondContact O-CB 3.27Å; L677-K681 WeakPolarHBondContact O-CG 3.5Å; L677-K681 PolarHBondContact O-N 2.95Å; E678-K681 PolarHBondContact O-N 3.01Å; K679-K681 PolarHBondContact O-N 2.59Å; K681-L684 PolarHBondContact O-N 3.39Å; K681-Q685 WeakPolarHBondContact O-CB 3.45Å; K681-Q685 WeakPolarHBondContact O-CG 3.3Å; K681-Q685 PolarHBondContact O-N 3.47Å
682K72.2Confident67.9Low123 Ų123107.1 Ų107.154%0.53550%0.5SS..Hα-helixtrans-66.1-44.7177.2-77.3165-179.7161.80111.3E678 K679 E680 L684 Q685 E686E678-K682 WeakPolarHBondContact O-CG 3.24Å; E678-K682 PolarHBondContact O-N 3.35Å; K679-K682 PolarHBondContact O-N 3.5Å; K679-K682 VanDerWaalsContact O-N 3.14Å; E680-K682 VanDerWaalsContact C-N 3.33Å; E680-K682 PolarHBondContact O-N 3.2Å; K682-L684 VanDerWaalsContact C-N 3.32Å; K682-L684 PolarHBondContact O-N 3.03Å; K682-Q685 CarbonylContact O-C 3.57Å; K682-Q685 PolarHBondContact O-N 3.29Å; K682-E686 PolarHBondContact O-N 3.28Å
683E73.4Confident68.8Low102 Ų102108.2 Ų108.248%0.47751%0.505SS..Hα-helixtrans-60.3-39.8171.8-77.1-167.2-150.400112.8K679 E680 E686 R687K679-E683 PolarHBondContact O-N 2.86Å; E680-E683 PolarHBondContact O-N 3.41Å; E683-E686 PolarHBondContact O-N 3Å; E683-R687 VanDerWaalsContact O-CG 3.29Å; E683-R687 WeakPolarHBondContact O-CG 3.27Å; E683-R687 PolarHBondContact O-N 3.09Å; E683-R687 IonicContact OE2-CZ 3.87Å; E683-R687 IonicContact OE2-NH2 3.07Å; E683-R687 PolarHBondContact OE2-NH2 3.48Å
684L69.3Low69.9Low104 Ų104110.4 Ų110.455%0.54551%0.513SS..Hα-helixtrans-70.3-36.4178.4-148.7162.1000110.8E680 K681 K682 R687 L688E680-L684 WeakPolarHBondContact O-CB 3.49Å; E680-L684 PolarHBondContact O-N 3.24Å; K681-L684 PolarHBondContact O-N 3.39Å; K682-L684 VanDerWaalsContact C-N 3.32Å; K682-L684 PolarHBondContact O-N 3.03Å; L684-R687 PolarHBondContact O-N 3.12Å; L684-L688 HydrophobicContact CD2-CD1 3.82Å; L684-L688 HydrophobicContact CD2-CG 4.15Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.41Å; L684-L688 PolarHBondContact O-N 3.49Å
685Q67.2Low70.6Confident111 Ų111111.7 Ų111.752%0.51952%0.516SS..Hα-helixtrans-64.5-35.6168.6-79.3-177.1-30.300112.8K681 K682 L688 K689K681-Q685 WeakPolarHBondContact O-CB 3.45Å; K681-Q685 WeakPolarHBondContact O-CG 3.3Å; K681-Q685 PolarHBondContact O-N 3.47Å; K682-Q685 CarbonylContact O-C 3.57Å; K682-Q685 PolarHBondContact O-N 3.29Å; Q685-L688 PolarHBondContact O-N 3.06Å; Q685-K689 WeakPolarHBondContact O-CB 3.5Å; Q685-K689 WeakPolarHBondContact O-CG 3.1Å; Q685-K689 PolarHBondContact O-N 2.96Å
686E72.9Confident71.2Confident126 Ų126111 Ų11159%0.58952%0.515SS*.Hα-helixtrans-71.5-36.9173.4-73.2-169.3162.700112.4K682 E683 L688 K689 N690K682-E686 PolarHBondContact O-N 3.28Å; E683-E686 PolarHBondContact O-N 3Å; E686-L688 VanDerWaalsContact C-N 3.34Å; E686-K689 PolarHBondContact O-N 3.01Å; E686-N690 WeakPolarHBondContact O-CB 3.4Å; E686-N690 VanDerWaalsContact O-CG 3.26Å; E686-N690 PolarHBondContact O-N 3.06Å; E686-N690 PolarHBondContact O-ND2 2.93Å
687R74.8Confident72.2Confident158 Ų158113 Ų11360%0.59652%0.519SS*.Hα-helixtrans-62.7-40.9170.1-69.4172.4-159.2-169.910.5111E683 L684 N690 Q691E683-R687 VanDerWaalsContact O-CG 3.29Å; E683-R687 WeakPolarHBondContact O-CG 3.27Å; E683-R687 PolarHBondContact O-N 3.09Å; E683-R687 IonicContact OE2-CZ 3.87Å; E683-R687 IonicContact OE2-NH2 3.07Å; E683-R687 PolarHBondContact OE2-NH2 3.48Å; L684-R687 PolarHBondContact O-N 3.12Å; R687-N690 PolarHBondContact O-N 2.83Å; R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.1Å
688L70.1Confident72.9Confident83 Ų83115.3 Ų115.344%0.43553%0.525SS..Hα-helixtrans-64.8-47.6173.1-77.3165.8000111.8L684 Q685 E686 N690 Q691 E692L684-L688 HydrophobicContact CD2-CD1 3.82Å; L684-L688 HydrophobicContact CD2-CG 4.15Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.41Å; L684-L688 PolarHBondContact O-N 3.49Å; Q685-L688 PolarHBondContact O-N 3.06Å; E686-L688 VanDerWaalsContact C-N 3.34Å; L688-N690 PolarHBondContact O-N 3.02Å; L688-Q691 CarbonylContact O-C 2.86Å; L688-Q691 WeakPolarHBondContact O-CA 3.26Å; L688-Q691 WeakPolarHBondContact O-CB 3.37Å; L688-Q691 PolarHBondContact O-N 3.45Å; L688-E692 PolarHBondContact O-N 2.8Å
689K75.2Confident73.5Confident121 Ų121114 Ų11453%0.52652%0.519SS..Hα-helixtrans-60.3-31.6174.6-76174.5177.5-179.80112.7Q685 E686 K693Q685-K689 WeakPolarHBondContact O-CB 3.5Å; Q685-K689 WeakPolarHBondContact O-CG 3.1Å; Q685-K689 PolarHBondContact O-N 2.96Å; E686-K689 PolarHBondContact O-N 3.01Å; K689-K693 VanDerWaalsContact O-CG 3.25Å; K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 2.98Å
690N76.3Confident73.9Confident82 Ų82115 Ų11544%0.43952%0.52SS..Hα-helixtrans-80.6-19.4173.5-69.9-25.5000113.1E686 R687 L688 K693 K694E686-N690 WeakPolarHBondContact O-CB 3.4Å; E686-N690 VanDerWaalsContact O-CG 3.26Å; E686-N690 PolarHBondContact O-N 3.06Å; E686-N690 PolarHBondContact O-ND2 2.93Å; R687-N690 PolarHBondContact O-N 2.83Å; L688-N690 PolarHBondContact O-N 3.02Å; N690-K693 PolarHBondContact OD1-NZ 2.89Å; N690-K694 WeakPolarHBondContact O-CG 3.29Å; N690-K694 PolarHBondContact O-N 3.28Å
691Q70.8Confident74.5Confident115 Ų115111.4 Ų111.454%0.53751%0.511SS..Hα-helixtrans-79-40.6165.3-74.2179.1-2.900111.9R687 L688 K693 K694 I695R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.1Å; L688-Q691 CarbonylContact O-C 2.86Å; L688-Q691 WeakPolarHBondContact O-CA 3.26Å; L688-Q691 WeakPolarHBondContact O-CB 3.37Å; L688-Q691 PolarHBondContact O-N 3.45Å; Q691-K693 PolarHBondContact O-N 3.49Å; Q691-K694 CarbonylContact O-C 3.25Å; Q691-K694 WeakPolarHBondContact O-CA 3.49Å; Q691-K694 WeakPolarHBondContact O-CB 3.37Å; Q691-K694 PolarHBondContact O-N 3.31Å; Q691-I695 WeakPolarHBondContact O-CG1 3.48Å; Q691-I695 PolarHBondContact O-N 3.05Å
692E69.7Low74.9Confident84 Ų84109.7 Ų109.739%0.39350%0.504SS..Hα-helixtrans-55.5-50.9169.9-73.7179.1133.600109.6L688 K694 I695 D696 R1103L688-E692 PolarHBondContact O-N 2.8Å; E692-K694 VanDerWaalsContact C-N 3.27Å; E692-K694 PolarHBondContact O-N 3.34Å; E692-I695 CarbonylContact O-C 2.98Å; E692-I695 WeakPolarHBondContact O-CA 3.47Å; E692-I695 WeakPolarHBondContact O-CB 3.22Å; E692-I695 PolarHBondContact O-N 3.22Å; E692-D696 WeakPolarHBondContact O-CB 3.44Å; E692-D696 PolarHBondContact O-N 3.35Å; E692-R1103 IonicContact OE1-CZ 3.72Å; E692-R1103 IonicContact OE1-NH2 2.79Å; E692-R1103 PolarHBondContact OE1-NH2 3.04Å
693K78.1Confident75.1Confident108 Ų108109 Ų10947%0.4750%0.498SS..Hα-helixtrans-54.6-37.8172.2-71.4168.4-162.2165.50113.4K689 N690 Q691 D696 Y697K689-K693 VanDerWaalsContact O-CG 3.25Å; K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 2.98Å; N690-K693 PolarHBondContact OD1-NZ 2.89Å; Q691-K693 PolarHBondContact O-N 3.49Å; K693-D696 WeakPolarHBondContact O-CB 3.46Å; K693-D696 PolarHBondContact O-N 2.92Å; K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.46Å; K693-Y697 VanDerWaalsContact O-CG 3.3Å; K693-Y697 PolarHBondContact O-N 2.95Å
694K76.7Confident75.4Confident156 Ų156109.7 Ų109.768%0.67851%0.505SS*.Hα-helixtrans-69.1-37.6175.3-83.1-176.8174.9-175.50112.5N690 Q691 E692 Y697 F698N690-K694 WeakPolarHBondContact O-CG 3.29Å; N690-K694 PolarHBondContact O-N 3.28Å; Q691-K694 CarbonylContact O-C 3.25Å; Q691-K694 WeakPolarHBondContact O-CA 3.49Å; Q691-K694 WeakPolarHBondContact O-CB 3.37Å; Q691-K694 PolarHBondContact O-N 3.31Å; E692-K694 VanDerWaalsContact C-N 3.27Å; E692-K694 PolarHBondContact O-N 3.34Å; K694-Y697 PolarHBondContact O-N 2.75Å; K694-F698 WeakPolarHBondContact O-CB 3.48Å; K694-F698 PolarHBondContact O-N 2.99Å
695I75.8Confident75.9Confident103 Ų103111.7 Ų111.753%0.52851%0.511SS..Hα-helixtrans-64.7-44172.6-66.8163.2000109.4Q691 E692 Y697 F698 E699Q691-I695 WeakPolarHBondContact O-CG1 3.48Å; Q691-I695 PolarHBondContact O-N 3.05Å; E692-I695 CarbonylContact O-C 2.98Å; E692-I695 WeakPolarHBondContact O-CA 3.47Å; E692-I695 WeakPolarHBondContact O-CB 3.22Å; E692-I695 PolarHBondContact O-N 3.22Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 3.48Å; I695-F698 CarbonylContact O-C 3.59Å; I695-F698 WeakPolarHBondContact O-CA 3.49Å; I695-F698 WeakPolarHBondContact O-CB 3.37Å; I695-F698 PolarHBondContact O-N 2.82Å; I695-E699 HydrophobicContact CG2-CG 4.49Å; I695-E699 PolarHBondContact O-N 3.5Å
696D76.9Confident76.3Confident83 Ų83111 Ų11144%0.44451%0.508SS..Hα-helixtrans-58.1-40.4175.1-124.561.3000113.2E692 K693 R700E692-D696 WeakPolarHBondContact O-CB 3.44Å; E692-D696 PolarHBondContact O-N 3.35Å; K693-D696 WeakPolarHBondContact O-CB 3.46Å; K693-D696 PolarHBondContact O-N 2.92Å; D696-R700 WeakPolarHBondContact O-CB 3.4Å; D696-R700 PolarHBondContact O-N 3.4Å; D696-R700 PolarHBondContact O-NE 3.22Å; D696-R700 IonicContact OD2-CZ 3.23Å; D696-R700 IonicContact OD2-NH2 3Å; D696-R700 PolarHBondContact OD2-NH2 3.42Å
697Y81.3Confident76.5Confident151 Ų151108.6 Ų108.659%0.59250%0.498SS*.Hα-helixtrans-71.5-34.8172.2-68-47.8000112.4K693 K694 I695 R700 A701K693-Y697 HydrophobicContact CB-CE2 4.35Å; K693-Y697 WeakPolarHBondContact O-CD2 3.46Å; K693-Y697 VanDerWaalsContact O-CG 3.3Å; K693-Y697 PolarHBondContact O-N 2.95Å; K694-Y697 PolarHBondContact O-N 2.75Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 3.48Å; Y697-R700 PolarHBondContact O-N 3.05Å; Y697-A701 WeakPolarHBondContact O-CB 3.33Å; Y697-A701 PolarHBondContact O-N 3.34Å
698F77.3Confident76.9Confident138 Ų138104.2 Ų104.261%0.60549%0.49SS*.Hα-helixtrans-72.1-35177.3-156.8-107000112.1K694 I695 A701 K702K694-F698 WeakPolarHBondContact O-CB 3.48Å; K694-F698 PolarHBondContact O-N 2.99Å; I695-F698 CarbonylContact O-C 3.59Å; I695-F698 WeakPolarHBondContact O-CA 3.49Å; I695-F698 WeakPolarHBondContact O-CB 3.37Å; I695-F698 PolarHBondContact O-N 2.82Å; F698-A701 PolarHBondContact O-N 2.72Å; F698-K702 WeakPolarHBondContact O-CG 3.49Å; F698-K702 PolarHBondContact O-N 3.29Å
699E76.4Confident77.4Confident67 Ų67105.8 Ų105.831%0.31350%0.498SS..Hα-helixtrans-72-38.3170.1-70.5-153.3-18000112.1I695 A701 K702 R703I695-E699 HydrophobicContact CG2-CG 4.49Å; I695-E699 PolarHBondContact O-N 3.5Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.82Å; E699-K702 PolarHBondContact O-N 3.35Å; E699-R703 WeakPolarHBondContact O-CB 3.43Å; E699-R703 VanDerWaalsContact O-CG 3.22Å; E699-R703 WeakPolarHBondContact O-CG 3.39Å; E699-R703 PolarHBondContact O-N 2.77Å; E699-R703 IonicContact OE2-CZ 2.57Å; E699-R703 IonicContact OE2-NE 2.85Å; E699-R703 IonicContact OE2-NH2 2.61Å; E699-R703 PolarHBondContact OE2-NH2 3.22Å
700R81.6Confident77.4Confident133 Ų133104.3 Ų104.350%0.50250%0.495SS..Hα-helixtrans-59.7-42.1168.6-98.3173.6-91.4-155.4-9.1112D696 Y697 R703 L704D696-R700 WeakPolarHBondContact O-CB 3.4Å; D696-R700 PolarHBondContact O-N 3.4Å; D696-R700 PolarHBondContact O-NE 3.22Å; D696-R700 IonicContact OD2-CZ 3.23Å; D696-R700 IonicContact OD2-NH2 3Å; D696-R700 PolarHBondContact OD2-NH2 3.42Å; Y697-R700 PolarHBondContact O-N 3.05Å; R700-R703 PolarHBondContact O-N 3.15Å; R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 WeakPolarHBondContact O-CG 3.46Å; R700-L704 PolarHBondContact O-N 2.72Å
701A79.7Confident77.6Confident48 Ų48106.5 Ų106.540%0.39750%0.501SS..Hα-helixtrans-61.7-46.5175.400000111.7Y697 F698 E699 L704 E705Y697-A701 WeakPolarHBondContact O-CB 3.33Å; Y697-A701 PolarHBondContact O-N 3.34Å; F698-A701 PolarHBondContact O-N 2.72Å; E699-A701 VanDerWaalsContact C-N 3.32Å; E699-A701 PolarHBondContact O-N 2.82Å; A701-L704 PolarHBondContact O-N 2.96Å; A701-E705 PolarHBondContact O-N 2.86Å
702K78.2Confident78.3Confident107 Ų107107.2 Ų107.247%0.46550%0.502SS..Hα-helixtrans-58.2-49.9173.3-74.1174.7-179.3177.50112.4F698 E699 L704 E705 E706F698-K702 WeakPolarHBondContact O-CG 3.49Å; F698-K702 PolarHBondContact O-N 3.29Å; E699-K702 PolarHBondContact O-N 3.35Å; K702-L704 PolarHBondContact O-N 3.41Å; K702-E705 PolarHBondContact O-N 2.82Å; K702-E705 VanDerWaalsContact O-N 3.12Å; K702-E706 WeakPolarHBondContact O-CB 3.41Å; K702-E706 VanDerWaalsContact O-CG 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.41Å; K702-E706 PolarHBondContact O-N 3.42Å
703R75.9Confident78.7Confident109 Ų109105.5 Ų105.541%0.41150%0.503SS..Hα-helixtrans-61-34.7178.5-66.9172-155.2-141.81.4111.2E699 R700 E706 I707 E1100E699-R703 WeakPolarHBondContact O-CB 3.43Å; E699-R703 VanDerWaalsContact O-CG 3.22Å; E699-R703 WeakPolarHBondContact O-CG 3.39Å; E699-R703 PolarHBondContact O-N 2.77Å; E699-R703 IonicContact OE2-CZ 2.57Å; E699-R703 IonicContact OE2-NE 2.85Å; E699-R703 IonicContact OE2-NH2 2.61Å; E699-R703 PolarHBondContact OE2-NH2 3.22Å; R700-R703 PolarHBondContact O-N 3.15Å; R703-E706 PolarHBondContact O-N 3.42Å; R703-I707 WeakPolarHBondContact O-CB 3.25Å; R703-I707 VanDerWaalsContact O-CD1 3.3Å; R703-I707 WeakPolarHBondContact O-CD1 3.39Å; R703-I707 WeakPolarHBondContact O-CG1 3.25Å; R703-I707 PolarHBondContact O-N 3.15Å; R703-E1100 IonicContact CZ-OE2 2.95Å; R703-E1100 IonicContact NH1-OE2 4Å; R703-E1100 IonicContact NH2-OE2 3.91Å; R703-E1100 PolarHBondContact NH2-OE2 3.05Å
704L80.4Confident78.4Confident117 Ų117107.9 Ų107.961%0.61351%0.51SS*.Hα-helixtrans-69.6-32.1175.1-74.9167.6000113.8R700 A701 K702 P708R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 WeakPolarHBondContact O-CG 3.46Å; R700-L704 PolarHBondContact O-N 2.72Å; A701-L704 PolarHBondContact O-N 2.96Å; K702-L704 PolarHBondContact O-N 3.41Å; L704-P708 WeakPolarHBondContact O-CD 3.47Å
705E78.3Confident78.6Confident145 Ų145106 Ų10668%0.67850%0.503SS*.Hα-helixtrans-78.5-33.3170.9-69.1-65.5159.300112.4A701 K702 P708A701-E705 PolarHBondContact O-N 2.86Å; K702-E705 PolarHBondContact O-N 2.82Å; K702-E705 VanDerWaalsContact O-N 3.12Å; E705-P708 WeakPolarHBondContact O-CD 3.37Å
706E75.6Confident78.9Confident96 Ų96106.3 Ų106.345%0.44950%0.502SS..Hα-helixtrans-73-36.4177.6-74172.4178.700112.4K702 R703 L709 I710K702-E706 WeakPolarHBondContact O-CB 3.41Å; K702-E706 VanDerWaalsContact O-CG 3.31Å; K702-E706 WeakPolarHBondContact O-CG 3.41Å; K702-E706 PolarHBondContact O-N 3.42Å; R703-E706 PolarHBondContact O-N 3.42Å; E706-L709 PolarHBondContact O-N 3.25Å; E706-I710 HydrophobicContact CB-CD1 4.13Å; E706-I710 WeakPolarHBondContact O-CB 3.41Å; E706-I710 VanDerWaalsContact O-CG1 3.31Å; E706-I710 WeakPolarHBondContact O-CG1 3.38Å; E706-I710 PolarHBondContact O-N 3.46Å
707I76.9Confident78.9Confident77 Ų77107.7 Ų107.740%0.39551%0.506SS..Hα-helixtrans-56-46.5-179.3-79.7161000112.9R703 L709 I710 K711R703-I707 WeakPolarHBondContact O-CB 3.25Å; R703-I707 VanDerWaalsContact O-CD1 3.3Å; R703-I707 WeakPolarHBondContact O-CD1 3.39Å; R703-I707 WeakPolarHBondContact O-CG1 3.25Å; R703-I707 PolarHBondContact O-N 3.15Å; I707-L709 VanDerWaalsContact C-N 3.34Å; I707-L709 PolarHBondContact O-N 3.36Å; I707-I710 PolarHBondContact O-N 2.89Å; I707-K711 HydrophobicContact CG2-CD 4.08Å; I707-K711 WeakPolarHBondContact O-CB 3.47Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.43Å; I707-K711 PolarHBondContact O-N 3.43Å
708P84.3Confident78.8Confident65 Ų65107.4 Ų107.442%0.42250%0.504SS..Hα-helixtrans-58.7-39.3172.2-27.834.8000114.1L704 E705 K712L704-P708 WeakPolarHBondContact O-CD 3.47Å; E705-P708 WeakPolarHBondContact O-CD 3.37Å; P708-K712 WeakPolarHBondContact O-CG 3.49Å; P708-K712 PolarHBondContact O-N 3.5Å
709L79.5Confident79.3Confident117 Ų117104.1 Ų104.161%0.61350%0.495SS*.Hα-helixtrans-72.5-40.6179.4-64.3175.2000111.7E706 I707 K712 A713E706-L709 PolarHBondContact O-N 3.25Å; I707-L709 VanDerWaalsContact C-N 3.34Å; I707-L709 PolarHBondContact O-N 3.36Å; L709-K712 PolarHBondContact O-N 3.18Å; L709-A713 WeakPolarHBondContact O-CB 3.38Å; L709-A713 PolarHBondContact O-N 3.11Å
710I76.6Confident79.6Confident90 Ų90106 Ų10646%0.46250%0.503SS..Hα-helixtrans-64.9-41174.2-67.8166.7000110.3E706 I707 A713 Y714E706-I710 HydrophobicContact CB-CD1 4.13Å; E706-I710 WeakPolarHBondContact O-CB 3.41Å; E706-I710 VanDerWaalsContact O-CG1 3.31Å; E706-I710 WeakPolarHBondContact O-CG1 3.38Å; E706-I710 PolarHBondContact O-N 3.46Å; I707-I710 PolarHBondContact O-N 2.89Å; I710-A713 PolarHBondContact O-N 3.18Å; I710-Y714 VanDerWaalsContact O-CB 3.3Å; I710-Y714 WeakPolarHBondContact O-CB 3.21Å; I710-Y714 PolarHBondContact O-N 2.73Å
711K79.8Confident79.6Confident127 Ų127104.6 Ų104.655%0.55251%0.505SS*.Hα-helixtrans-61.9-46.4174.1-78.7176.5176.6-179.40112.1I707 A713 Y714 E715I707-K711 HydrophobicContact CG2-CD 4.08Å; I707-K711 WeakPolarHBondContact O-CB 3.47Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.43Å; I707-K711 PolarHBondContact O-N 3.43Å; K711-A713 PolarHBondContact O-N 2.91Å; K711-Y714 CarbonylContact O-C 3.55Å; K711-Y714 PolarHBondContact O-N 2.9Å; K711-E715 WeakPolarHBondContact O-CB 3.43Å; K711-E715 VanDerWaalsContact O-CG 3.3Å; K711-E715 WeakPolarHBondContact O-CG 3.36Å; K711-E715 PolarHBondContact O-N 3.27Å
712K85.1Confident79.6Confident131 Ų131106.1 Ų106.157%0.5751%0.505SS*.Hα-helixtrans-60.7-44.5174.5-76178.9176.1-1770112.5P708 L709 Y714 E715 E716P708-K712 WeakPolarHBondContact O-CG 3.49Å; P708-K712 PolarHBondContact O-N 3.5Å; L709-K712 PolarHBondContact O-N 3.18Å; K712-Y714 VanDerWaalsContact C-N 3.3Å; K712-Y714 PolarHBondContact O-N 3.5Å; K712-E715 PolarHBondContact O-N 3.47Å; K712-E716 WeakPolarHBondContact O-CB 3.4Å; K712-E716 PolarHBondContact O-N 3.35Å
713A78.9Confident79.9Confident48 Ų48106 Ų10640%0.39751%0.506SS..Hα-helixtrans-62.3-38.117600000112.1L709 I710 K711 Q717L709-A713 WeakPolarHBondContact O-CB 3.38Å; L709-A713 PolarHBondContact O-N 3.11Å; I710-A713 PolarHBondContact O-N 3.18Å; K711-A713 PolarHBondContact O-N 2.91Å; A713-Q717 WeakPolarHBondContact O-CB 3.46Å; A713-Q717 WeakPolarHBondContact O-CG 3.3Å; A713-Q717 PolarHBondContact O-N 2.9Å
714Y72.2Confident80.2Confident157 Ų157105.3 Ų105.362%0.61651%0.51SS*.Hα-helixtrans-72.1-36.1176-165.2-98.1000112.5I710 K711 K712 Q717 R718I710-Y714 VanDerWaalsContact O-CB 3.3Å; I710-Y714 WeakPolarHBondContact O-CB 3.21Å; I710-Y714 PolarHBondContact O-N 2.73Å; K711-Y714 CarbonylContact O-C 3.55Å; K711-Y714 PolarHBondContact O-N 2.9Å; K712-Y714 VanDerWaalsContact C-N 3.3Å; K712-Y714 PolarHBondContact O-N 3.5Å; Y714-Q717 PolarHBondContact O-N 3.38Å; Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 3.43Å
715E79.8Confident80.3Confident117 Ų117106.9 Ų106.955%0.54751%0.507SS..Hα-helixtrans-64.9-44.5172-75.4164.4-177.800110.9K711 K712 R718 V719K711-E715 WeakPolarHBondContact O-CB 3.43Å; K711-E715 VanDerWaalsContact O-CG 3.3Å; K711-E715 WeakPolarHBondContact O-CG 3.36Å; K711-E715 PolarHBondContact O-N 3.27Å; K712-E715 PolarHBondContact O-N 3.47Å; E715-R718 PolarHBondContact O-N 3.29Å; E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 2.82Å
716E83.1Confident80.5Confident109 Ų109104.9 Ų104.951%0.50950%0.498SS..Hα-helixtrans-61.4-42.4172.3-82.6-170.2-13400112.9K712 V719 K720K712-E716 WeakPolarHBondContact O-CB 3.4Å; K712-E716 PolarHBondContact O-N 3.35Å; E716-V719 PolarHBondContact O-N 3.1Å; E716-K720 WeakPolarHBondContact O-CD 3.46Å; E716-K720 VanDerWaalsContact O-CG 3.26Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 3.44Å; E716-K720 IonicContact OE2-NZ 3.77Å; E716-K720 PolarHBondContact OE2-NZ 2.9Å
717Q75.5Confident81Confident112 Ų112105.6 Ų105.652%0.52351%0.505SS..Hα-helixtrans-63-46.5173.5-78.6-178.4-51.500110.6A713 Y714 V719 K720 D721A713-Q717 WeakPolarHBondContact O-CB 3.46Å; A713-Q717 WeakPolarHBondContact O-CG 3.3Å; A713-Q717 PolarHBondContact O-N 2.9Å; Y714-Q717 PolarHBondContact O-N 3.38Å; Q717-V719 PolarHBondContact O-N 2.76Å; Q717-K720 PolarHBondContact O-N 3.23Å; Q717-K720 VanDerWaalsContact O-N 3.1Å; Q717-D721 WeakPolarHBondContact O-CB 3.48Å; Q717-D721 VanDerWaalsContact O-CG 3.23Å; Q717-D721 PolarHBondContact O-N 2.92Å
718R79.6Confident80.9Confident145 Ų145107.2 Ų107.255%0.54751%0.51SS..Hα-helixtrans-69.1-17.3-179.8-149.9-154.275.8-163.61.8113.8Y714 E715 M722Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.33Å; Y714-R718 PolarHBondContact O-N 3.43Å; E715-R718 PolarHBondContact O-N 3.29Å; R718-M722 VanDerWaalsContact O-CB 3.27Å; R718-M722 WeakPolarHBondContact O-CB 3.15Å; R718-M722 PolarHBondContact O-N 2.99Å
719V88.6Confident80.6Confident69 Ų69105.7 Ų105.742%0.41850%0.498SS..Hα-helixtrans-79.7-49.7166.2169.10000110.2E715 E716 Q717 D721 M722 E723E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 2.82Å; E716-V719 PolarHBondContact O-N 3.1Å; Q717-V719 PolarHBondContact O-N 2.76Å; V719-D721 VanDerWaalsContact C-N 3.31Å; V719-D721 PolarHBondContact O-N 2.9Å; V719-M722 CarbonylContact O-C 3.56Å; V719-M722 WeakPolarHBondContact O-CA 3.18Å; V719-M722 WeakPolarHBondContact O-CB 3.18Å; V719-M722 PolarHBondContact O-N 3.13Å; V719-E723 HydrophobicContact CG1-CG 4.3Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.38Å; V719-E723 WeakPolarHBondContact O-CG 3.25Å; V719-E723 PolarHBondContact O-N 2.74Å
720K82.9Confident80.8Confident108 Ų108105.9 Ų105.947%0.4750%0.496SS..Hα-helixtrans-62-37.1179.2-68.5159.3-165164.50112.6E716 Q717 M722 L724E716-K720 WeakPolarHBondContact O-CD 3.46Å; E716-K720 VanDerWaalsContact O-CG 3.26Å; E716-K720 WeakPolarHBondContact O-CG 3.31Å; E716-K720 PolarHBondContact O-N 3.44Å; E716-K720 IonicContact OE2-NZ 3.77Å; E716-K720 PolarHBondContact OE2-NZ 2.9Å; Q717-K720 PolarHBondContact O-N 3.23Å; Q717-K720 VanDerWaalsContact O-N 3.1Å; K720-M722 VanDerWaalsContact C-N 3.33Å; K720-L724 WeakPolarHBondContact O-CB 3.36Å; K720-L724 PolarHBondContact O-N 2.99Å
721D81Confident81.1Confident102 Ų102107.9 Ų107.955%0.54550%0.503SS..Hα-helixtrans-70.5-29.3173.8-68.1-21.4000111.9Q717 V719 W725Q717-D721 WeakPolarHBondContact O-CB 3.48Å; Q717-D721 VanDerWaalsContact O-CG 3.23Å; Q717-D721 PolarHBondContact O-N 2.92Å; V719-D721 VanDerWaalsContact C-N 3.31Å; V719-D721 PolarHBondContact O-N 2.9Å; D721-W725 WeakPolarHBondContact O-CB 3.34Å; D721-W725 PolarHBondContact O-N 2.72Å
722M79.1Confident81.4Confident81 Ų81108.8 Ų108.840%0.39950%0.503SS..Hα-helixtrans-74.8-47.2174.1-176.1177-60.600110.9R718 V719 K720 L724 W725 E726R718-M722 VanDerWaalsContact O-CB 3.27Å; R718-M722 WeakPolarHBondContact O-CB 3.15Å; R718-M722 PolarHBondContact O-N 2.99Å; V719-M722 CarbonylContact O-C 3.56Å; V719-M722 WeakPolarHBondContact O-CA 3.18Å; V719-M722 WeakPolarHBondContact O-CB 3.18Å; V719-M722 PolarHBondContact O-N 3.13Å; K720-M722 VanDerWaalsContact C-N 3.33Å; M722-L724 VanDerWaalsContact C-N 3.31Å; M722-L724 PolarHBondContact O-N 2.84Å; M722-W725 PolarHBondContact O-N 2.85Å; M722-E726 WeakPolarHBondContact O-CB 3.39Å; M722-E726 VanDerWaalsContact O-CG 3.32Å; M722-E726 WeakPolarHBondContact O-CG 3.1Å; M722-E726 PolarHBondContact O-N 3.45Å
723E84.6Confident81.4Confident104 Ų104105.9 Ų105.949%0.48649%0.493SS..Hα-helixtrans-58.1-42.7172.7-68.7169.7169.800111.3V719 E726 L727V719-E723 HydrophobicContact CG1-CG 4.3Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.38Å; V719-E723 WeakPolarHBondContact O-CG 3.25Å; V719-E723 PolarHBondContact O-N 2.74Å; E723-E726 PolarHBondContact O-N 3Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 VanDerWaalsContact O-CG 3.28Å; E723-L727 WeakPolarHBondContact O-CG 3.32Å; E723-L727 PolarHBondContact O-N 2.9Å
724L82.4Confident81.9Confident94 Ų94106.8 Ų106.849%0.49249%0.491SS..Hα-helixtrans-71.1-34.5177.4-175.2131.3000112.4K720 M722 Q728K720-L724 WeakPolarHBondContact O-CB 3.36Å; K720-L724 PolarHBondContact O-N 2.99Å; M722-L724 VanDerWaalsContact C-N 3.31Å; M722-L724 PolarHBondContact O-N 2.84Å; L724-Q728 VanDerWaalsContact CD2-NE2 3.33Å; L724-Q728 WeakPolarHBondContact O-CB 3.5Å; L724-Q728 VanDerWaalsContact O-CG 3.25Å; L724-Q728 WeakPolarHBondContact O-CG 3.27Å; L724-Q728 PolarHBondContact O-N 2.81Å
725W82.8Confident82.5Confident150 Ų150103.7 Ų103.757%0.56849%0.485SS*.Hα-helixtrans-69.8-40.9171.4-179.478.9000112D721 M722 Q728 E729D721-W725 WeakPolarHBondContact O-CB 3.34Å; D721-W725 PolarHBondContact O-N 2.72Å; M722-W725 PolarHBondContact O-N 2.85Å; W725-Q728 PolarHBondContact O-N 3.26Å; W725-E729 HydrophobicContact CH2-CB 4.38Å; W725-E729 HydrophobicContact CH2-CG 4.1Å; W725-E729 HydrophobicContact CZ2-CB 4.25Å; W725-E729 HydrophobicContact CZ2-CG 4.09Å; W725-E729 VanDerWaalsContact O-CB 3.25Å; W725-E729 WeakPolarHBondContact O-CB 3.33Å; W725-E729 PolarHBondContact O-N 3.24Å
726E82.9Confident82.6Confident103 Ų103102.3 Ų102.348%0.48148%0.481SS..Hα-helixtrans-63.8-44.2175.7-75.7177.6172.900110.8M722 E723 Q728 E729 E730M722-E726 WeakPolarHBondContact O-CB 3.39Å; M722-E726 VanDerWaalsContact O-CG 3.32Å; M722-E726 WeakPolarHBondContact O-CG 3.1Å; M722-E726 PolarHBondContact O-N 3.45Å; E723-E726 PolarHBondContact O-N 3Å; E726-Q728 PolarHBondContact O-N 3.18Å; E726-E729 PolarHBondContact O-N 2.94Å; E726-E730 WeakPolarHBondContact O-CB 3.17Å; E726-E730 WeakPolarHBondContact O-CG 3.32Å; E726-E730 PolarHBondContact O-N 3.42Å
727L84.6Confident82.8Confident112 Ų112102.3 Ų102.359%0.58648%0.479SS*.Hα-helixtrans-60.6-43.8172.3-75.3167.2000112.3E723 E730 E731E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 VanDerWaalsContact O-CG 3.28Å; E723-L727 WeakPolarHBondContact O-CG 3.32Å; E723-L727 PolarHBondContact O-N 2.9Å; L727-E730 PolarHBondContact O-N 3.25Å; L727-E731 WeakPolarHBondContact O-CB 3.37Å; L727-E731 WeakPolarHBondContact O-CG 3.35Å; L727-E731 PolarHBondContact O-N 3.21Å
728Q75.1Confident83.4Confident110 Ų110100.5 Ų100.551%0.51447%0.472SS..Hα-helixtrans-67.2-35.1176.3-76.3177.815.800112.7L724 W725 E726 R732L724-Q728 VanDerWaalsContact CD2-NE2 3.33Å; L724-Q728 WeakPolarHBondContact O-CB 3.5Å; L724-Q728 VanDerWaalsContact O-CG 3.25Å; L724-Q728 WeakPolarHBondContact O-CG 3.27Å; L724-Q728 PolarHBondContact O-N 2.81Å; W725-Q728 PolarHBondContact O-N 3.26Å; E726-Q728 PolarHBondContact O-N 3.18Å; Q728-R732 WeakPolarHBondContact O-CB 3.4Å; Q728-R732 PolarHBondContact O-N 3.02Å
729E78.9Confident83.4Confident33 Ų3399.2 Ų99.215%0.15447%0.473CS..Hα-helixtrans-75.7-34.4176.9-170.759.7-126.500111W725 E726 R732 I733W725-E729 HydrophobicContact CH2-CB 4.38Å; W725-E729 HydrophobicContact CH2-CG 4.1Å; W725-E729 HydrophobicContact CZ2-CB 4.25Å; W725-E729 HydrophobicContact CZ2-CG 4.09Å; W725-E729 VanDerWaalsContact O-CB 3.25Å; W725-E729 WeakPolarHBondContact O-CB 3.33Å; W725-E729 PolarHBondContact O-N 3.24Å; E726-E729 PolarHBondContact O-N 2.94Å; E729-R732 VanDerWaalsContact CD-NE 3.31Å; E729-R732 PolarHBondContact O-N 3.49Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NE 3.67Å; E729-R732 PolarHBondContact OE1-NE 3.22Å; E729-R732 IonicContact OE1-NH2 2.62Å; E729-R732 PolarHBondContact OE1-NH2 3.29Å; E729-R732 IonicContact OE2-CZ 3.53Å; E729-R732 IonicContact OE2-NE 3.48Å; E729-R732 PolarHBondContact OE2-NE 2.85Å; E729-R732 VanDerWaalsContact OE2-NE 3.09Å; E729-R732 IonicContact OE2-NH1 2.98Å; E729-R732 IonicContact OE2-NH2 3.18Å; E729-R732 PolarHBondContact OE2-NH2 2.79Å; E729-I733 HydrophobicContact CG-CD1 3.91Å; E729-I733 HydrophobicContact CG-CG1 4.44Å; E729-I733 WeakPolarHBondContact O-CB 3.13Å; E729-I733 WeakPolarHBondContact O-CD1 3.49Å; E729-I733 WeakPolarHBondContact O-CG1 3.45Å; E729-I733 PolarHBondContact O-N 3.5Å
730E83.8Confident83.1Confident122 Ų122104.5 Ų104.557%0.5749%0.485SS*.Hα-helixtrans-64.6-46.2168.7-77.5-158.4153.100111.6E726 L727 R732 I733 N734E726-E730 WeakPolarHBondContact O-CB 3.17Å; E726-E730 WeakPolarHBondContact O-CG 3.32Å; E726-E730 PolarHBondContact O-N 3.42Å; L727-E730 PolarHBondContact O-N 3.25Å; E730-R732 VanDerWaalsContact C-N 3.33Å; E730-R732 PolarHBondContact O-N 3.38Å; E730-I733 PolarHBondContact O-N 2.7Å; E730-N734 WeakPolarHBondContact O-CB 3.08Å; E730-N734 PolarHBondContact O-N 2.71Å; E730-N734 PolarHBondContact O-ND2 2.85Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å
731E82.6Confident83.3Confident132 Ų132105.2 Ų105.262%0.61749%0.49SS*.Hα-helixtrans-60.1-43.1172.4-77.3-167161.600111.2L727 N734 N735L727-E731 WeakPolarHBondContact O-CB 3.37Å; L727-E731 WeakPolarHBondContact O-CG 3.35Å; L727-E731 PolarHBondContact O-N 3.21Å; E731-N734 PolarHBondContact O-N 3.15Å; E731-N735 VanDerWaalsContact O-CB 3.32Å; E731-N735 WeakPolarHBondContact O-CB 3.32Å; E731-N735 VanDerWaalsContact O-CG 3.3Å; E731-N735 PolarHBondContact O-N 3.1Å; E731-N735 PolarHBondContact O-ND2 3.26Å
732R86.2Confident83.4Confident145 Ų145105.7 Ų105.755%0.54749%0.487SS..Hα-helixtrans-63-46.2176.1-168.8179.979.7155.61.2111.6Q728 E729 E730 N734 N735 L736Q728-R732 WeakPolarHBondContact O-CB 3.4Å; Q728-R732 PolarHBondContact O-N 3.02Å; E729-R732 VanDerWaalsContact CD-NE 3.31Å; E729-R732 PolarHBondContact O-N 3.49Å; E729-R732 IonicContact OE1-CZ 3.24Å; E729-R732 IonicContact OE1-NE 3.67Å; E729-R732 PolarHBondContact OE1-NE 3.22Å; E729-R732 IonicContact OE1-NH2 2.62Å; E729-R732 PolarHBondContact OE1-NH2 3.29Å; E729-R732 IonicContact OE2-CZ 3.53Å; E729-R732 IonicContact OE2-NE 3.48Å; E729-R732 PolarHBondContact OE2-NE 2.85Å; E729-R732 VanDerWaalsContact OE2-NE 3.09Å; E729-R732 IonicContact OE2-NH1 2.98Å; E729-R732 IonicContact OE2-NH2 3.18Å; E729-R732 PolarHBondContact OE2-NH2 2.79Å; E730-R732 VanDerWaalsContact C-N 3.33Å; E730-R732 PolarHBondContact O-N 3.38Å; R732-N734 VanDerWaalsContact C-N 3.35Å; R732-N735 PolarHBondContact O-N 2.86Å; R732-L736 HydrophobicContact CG-CD1 4.06Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 VanDerWaalsContact O-CG 3.22Å; R732-L736 WeakPolarHBondContact O-CG 3.4Å; R732-L736 PolarHBondContact O-N 3.42Å
733I85.5Confident83.6Confident71 Ų71104.5 Ų104.536%0.36449%0.49SS..Hα-helixtrans-64.7-38.9177.6-76.4168.4000110.6E729 E730 L736 K737E729-I733 HydrophobicContact CG-CD1 3.91Å; E729-I733 HydrophobicContact CG-CG1 4.44Å; E729-I733 WeakPolarHBondContact O-CB 3.13Å; E729-I733 WeakPolarHBondContact O-CD1 3.49Å; E729-I733 WeakPolarHBondContact O-CG1 3.45Å; E729-I733 PolarHBondContact O-N 3.5Å; E730-I733 PolarHBondContact O-N 2.7Å; I733-L736 CarbonylContact O-C 3.57Å; I733-L736 PolarHBondContact O-N 2.9Å; I733-K737 HydrophobicContact CG2-CD 4.29Å; I733-K737 VanDerWaalsContact CG2-CE 3.43Å; I733-K737 WeakPolarHBondContact O-CB 3.28Å; I733-K737 VanDerWaalsContact O-CG 3.24Å; I733-K737 WeakPolarHBondContact O-CG 3.16Å; I733-K737 PolarHBondContact O-N 3.4Å
734N88.9Confident83.6Confident67 Ų67103.1 Ų103.136%0.35849%0.486SS..Hα-helixtrans-72.2-39.1178.1-69.4-27.9000111.8E730 E731 R732 K737 I738E730-N734 WeakPolarHBondContact O-CB 3.08Å; E730-N734 PolarHBondContact O-N 2.71Å; E730-N734 PolarHBondContact O-ND2 2.85Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å; E731-N734 PolarHBondContact O-N 3.15Å; R732-N734 VanDerWaalsContact C-N 3.35Å; N734-K737 WeakPolarHBondContact O-CB 3.27Å; N734-K737 PolarHBondContact O-N 2.87Å; N734-K737 PolarHBondContact OD1-NZ 2.96Å; N734-I738 WeakPolarHBondContact O-CD1 3.22Å; N734-I738 VanDerWaalsContact O-CG1 3.27Å; N734-I738 WeakPolarHBondContact O-CG1 3.34Å; N734-I738 PolarHBondContact O-N 3.18Å
735N85.6Confident83.7Confident92 Ų92105 Ų10549%0.49249%0.492SS..Hα-helixtrans-61.4-46168.8-75.2-46.7000111.2E731 R732 K737 I738 E739E731-N735 VanDerWaalsContact O-CB 3.32Å; E731-N735 WeakPolarHBondContact O-CB 3.32Å; E731-N735 VanDerWaalsContact O-CG 3.3Å; E731-N735 PolarHBondContact O-N 3.1Å; E731-N735 PolarHBondContact O-ND2 3.26Å; R732-N735 PolarHBondContact O-N 2.86Å; N735-K737 VanDerWaalsContact C-N 3.33Å; N735-K737 PolarHBondContact O-N 3.25Å; N735-I738 PolarHBondContact O-N 3.4Å; N735-E739 WeakPolarHBondContact O-CB 3.28Å; N735-E739 WeakPolarHBondContact O-CG 3.47Å; N735-E739 PolarHBondContact O-N 3.44Å
736L80.8Confident83.6Confident88 Ų88103.4 Ų103.446%0.46149%0.491SS..Hα-helixtrans-64.3-31.5175.3-73.5169.9000113.2R732 I733 R740R732-L736 HydrophobicContact CG-CD1 4.06Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.46Å; R732-L736 VanDerWaalsContact O-CG 3.22Å; R732-L736 WeakPolarHBondContact O-CG 3.4Å; R732-L736 PolarHBondContact O-N 3.42Å; I733-L736 CarbonylContact O-C 3.57Å; I733-L736 PolarHBondContact O-N 2.9Å; L736-R740 WeakPolarHBondContact O-CB 3.33Å; L736-R740 PolarHBondContact O-N 2.67Å
737K87.1Confident83.5Confident108 Ų108105.5 Ų105.547%0.4750%0.499SS..Hα-helixtrans-65.5-50.4170-75.5167.3-166.2157.10110.4I733 N734 N735 E739 R740 E741I733-K737 HydrophobicContact CG2-CD 4.29Å; I733-K737 VanDerWaalsContact CG2-CE 3.43Å; I733-K737 WeakPolarHBondContact O-CB 3.28Å; I733-K737 VanDerWaalsContact O-CG 3.24Å; I733-K737 WeakPolarHBondContact O-CG 3.16Å; I733-K737 PolarHBondContact O-N 3.4Å; N734-K737 WeakPolarHBondContact O-CB 3.27Å; N734-K737 PolarHBondContact O-N 2.87Å; N734-K737 PolarHBondContact OD1-NZ 2.96Å; N735-K737 VanDerWaalsContact C-N 3.33Å; N735-K737 PolarHBondContact O-N 3.25Å; K737-E739 PolarHBondContact O-N 3.17Å; K737-R740 CarbonylContact O-C 3.6Å; K737-R740 WeakPolarHBondContact O-CB 3.41Å; K737-R740 PolarHBondContact O-N 3.31Å; K737-R740 VanDerWaalsContact O-N 3.15Å; K737-E741 WeakPolarHBondContact O-CB 3.41Å; K737-E741 WeakPolarHBondContact O-CG 3.43Å; K737-E741 PolarHBondContact O-N 2.97Å
738I87.7Confident83.4Confident74 Ų74107.2 Ų107.238%0.37950%0.501SS..Hα-helixtrans-63.5-41.2180-68.7163.5000111.2N734 N735 E741 K742N734-I738 WeakPolarHBondContact O-CD1 3.22Å; N734-I738 VanDerWaalsContact O-CG1 3.27Å; N734-I738 WeakPolarHBondContact O-CG1 3.34Å; N734-I738 PolarHBondContact O-N 3.18Å; N735-I738 PolarHBondContact O-N 3.4Å; I738-E741 PolarHBondContact O-N 3.27Å; I738-K742 HydrophobicContact CG2-CD 4.12Å; I738-K742 WeakPolarHBondContact O-CB 3.45Å; I738-K742 VanDerWaalsContact O-CG 3.27Å; I738-K742 WeakPolarHBondContact O-CG 3.38Å; I738-K742 PolarHBondContact O-N 3.47Å
739E81.3Confident83.7Confident119 Ų119111 Ų11156%0.55651%0.511SS*.Hα-helixtrans-65.3-40.6172.8-74.7-177.6167.400111.5N735 K737 A743N735-E739 WeakPolarHBondContact O-CB 3.28Å; N735-E739 WeakPolarHBondContact O-CG 3.47Å; N735-E739 PolarHBondContact O-N 3.44Å; K737-E739 PolarHBondContact O-N 3.17Å; E739-A743 WeakPolarHBondContact O-CB 3.5Å; E739-A743 PolarHBondContact O-N 3.47Å
740R81.8Confident83.6Confident179 Ų179114.5 Ų114.568%0.67553%0.528SS*.Hα-helixtrans-66.9-36.7174.6177.4173.6174.1155.7-2.5112.3L736 K737 A743 L744L736-R740 WeakPolarHBondContact O-CB 3.33Å; L736-R740 PolarHBondContact O-N 2.67Å; K737-R740 CarbonylContact O-C 3.6Å; K737-R740 WeakPolarHBondContact O-CB 3.41Å; K737-R740 PolarHBondContact O-N 3.31Å; K737-R740 VanDerWaalsContact O-N 3.15Å; R740-A743 PolarHBondContact O-N 3Å; R740-L744 HydrophobicContact CG-CD1 4Å; R740-L744 HydrophobicContact CG-CG 4.42Å; R740-L744 VanDerWaalsContact O-CB 3.27Å; R740-L744 WeakPolarHBondContact O-CB 3.37Å; R740-L744 WeakPolarHBondContact O-CG 2.8Å; R740-L744 PolarHBondContact O-N 2.91Å
741E85.7Confident83.3Confident123 Ų123111.6 Ų111.658%0.57552%0.521SS*.Hα-helixtrans-65.8-52.3174.8-77175.6163.400110.3K737 I738 A743 L744 E745K737-E741 WeakPolarHBondContact O-CB 3.41Å; K737-E741 WeakPolarHBondContact O-CG 3.43Å; K737-E741 PolarHBondContact O-N 2.97Å; I738-E741 PolarHBondContact O-N 3.27Å; E741-A743 VanDerWaalsContact C-N 3.3Å; E741-A743 PolarHBondContact O-N 3.38Å; E741-L744 CarbonylContact O-C 3.53Å; E741-L744 WeakPolarHBondContact O-CA 3.48Å; E741-L744 WeakPolarHBondContact O-CB 3.37Å; E741-L744 PolarHBondContact O-N 2.8Å; E741-E745 WeakPolarHBondContact O-CG 3.33Å; E741-E745 PolarHBondContact O-N 3.02Å
742K85Confident83.1Confident112 Ų112115.3 Ų115.349%0.48753%0.53SS..Hα-helixtrans-55.8-43.9172-70.2167-176.8171.20111.6I738 L744 E745 H746I738-K742 HydrophobicContact CG2-CD 4.12Å; I738-K742 WeakPolarHBondContact O-CB 3.45Å; I738-K742 VanDerWaalsContact O-CG 3.27Å; I738-K742 WeakPolarHBondContact O-CG 3.38Å; I738-K742 PolarHBondContact O-N 3.47Å; K742-L744 VanDerWaalsContact C-N 3.31Å; K742-L744 PolarHBondContact O-N 3.4Å; K742-E745 PolarHBondContact O-N 2.87Å; K742-H746 WeakPolarHBondContact O-CB 3.27Å; K742-H746 PolarHBondContact O-CD2 3.21Å; K742-H746 PolarHBondContact O-N 2.77Å
743A82.3Confident82.6Confident56 Ų56113.2 Ų113.246%0.46353%0.527SS..Hα-helixtrans-67.2-29.317700000112.7E739 R740 E741 K747E739-A743 WeakPolarHBondContact O-CB 3.5Å; E739-A743 PolarHBondContact O-N 3.47Å; R740-A743 PolarHBondContact O-N 3Å; E741-A743 VanDerWaalsContact C-N 3.3Å; E741-A743 PolarHBondContact O-N 3.38Å; A743-K747 WeakPolarHBondContact O-CB 3.36Å; A743-K747 PolarHBondContact O-N 2.93Å
744L85.3Confident82.1Confident76 Ų76113 Ų11340%0.39853%0.526SS..Hα-helixtrans-76.7-33.5172.1-76.5169.1000112.1R740 E741 K742 K747 K748R740-L744 HydrophobicContact CG-CD1 4Å; R740-L744 HydrophobicContact CG-CG 4.42Å; R740-L744 VanDerWaalsContact O-CB 3.27Å; R740-L744 WeakPolarHBondContact O-CB 3.37Å; R740-L744 WeakPolarHBondContact O-CG 2.8Å; R740-L744 PolarHBondContact O-N 2.91Å; E741-L744 CarbonylContact O-C 3.53Å; E741-L744 WeakPolarHBondContact O-CA 3.48Å; E741-L744 WeakPolarHBondContact O-CB 3.37Å; E741-L744 PolarHBondContact O-N 2.8Å; K742-L744 VanDerWaalsContact C-N 3.31Å; K742-L744 PolarHBondContact O-N 3.4Å; L744-K747 PolarHBondContact O-N 3.29Å; L744-K748 WeakPolarHBondContact O-CB 3.48Å; L744-K748 WeakPolarHBondContact O-CG 3.43Å; L744-K748 PolarHBondContact O-N 3.27Å
745E83.2Confident81.7Confident133 Ų133117.6 Ų117.662%0.62155%0.545SS*.Hα-helixtrans-67.1-48.2170-69.7-178.5153.300111.2E741 K742 K747 K748 R749E741-E745 WeakPolarHBondContact O-CG 3.33Å; E741-E745 PolarHBondContact O-N 3.02Å; K742-E745 PolarHBondContact O-N 2.87Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 3.12Å; E745-K748 PolarHBondContact O-N 3.15Å; E745-R749 WeakPolarHBondContact O-CB 3.41Å; E745-R749 PolarHBondContact O-N 3.02Å
746H82.1Confident81.4Confident117 Ų117118.8 Ų118.854%0.54255%0.551SS.*Hα-helixtrans-58.2-43.1170.3-70.5-58.4000110.8K742 K748 R749 M750K742-H746 WeakPolarHBondContact O-CB 3.27Å; K742-H746 PolarHBondContact O-CD2 3.21Å; K742-H746 PolarHBondContact O-N 2.77Å; H746-K748 PolarHBondContact O-N 2.91Å; H746-R749 PolarHBondContact O-N 3.05Å; H746-M750 WeakPolarHBondContact O-CB 3.48Å; H746-M750 WeakPolarHBondContact O-CG 3.39Å; H746-M750 PolarHBondContact O-N 2.83Å
747K81.1Confident81.2Confident147 Ų147119.7 Ų119.764%0.63955%0.551SS**Hα-helixtrans-62.6-41.3174.5-174.4177.9179.3-179.10112.1A743 L744 E745 R749 M750 S751A743-K747 WeakPolarHBondContact O-CB 3.36Å; A743-K747 PolarHBondContact O-N 2.93Å; L744-K747 PolarHBondContact O-N 3.29Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 3.12Å; K747-R749 VanDerWaalsContact C-N 3.34Å; K747-M750 PolarHBondContact O-N 3.49Å; K747-S751 WeakPolarHBondContact O-CA 3.18Å; K747-S751 WeakPolarHBondContact O-CB 3.42Å; K747-S751 PolarHBondContact O-N 3.34Å; K747-S751 PolarHBondContact O-OG 2.68Å
748K82Confident80.9Confident147 Ų147119.8 Ų119.864%0.63955%0.554SS**Hα-helixtrans-67.6-30.4175-75.8167.9179.8176.80113L744 E745 H746 S751L744-K748 WeakPolarHBondContact O-CB 3.48Å; L744-K748 WeakPolarHBondContact O-CG 3.43Å; L744-K748 PolarHBondContact O-N 3.27Å; E745-K748 PolarHBondContact O-N 3.15Å; H746-K748 PolarHBondContact O-N 2.91Å; K748-S751 WeakPolarHBondContact CA-OG 3.08Å; K748-S751 PolarHBondContact O-OG 3.34Å; K748-S751 VanDerWaalsContact O-OG 3.11Å
749R81.2Confident80.8Confident190 Ų190117.9 Ų117.972%0.71755%0.552SS**Hα-helixtrans-74.3-46.4174.2-175172.9178.1161.4-1111E745 H746 K747E745-R749 WeakPolarHBondContact O-CB 3.41Å; E745-R749 PolarHBondContact O-N 3.02Å; H746-R749 PolarHBondContact O-N 3.05Å; K747-R749 VanDerWaalsContact C-N 3.34Å
750M76.2Confident80.6Confident107 Ų107118.5 Ų118.553%0.52755%0.553SS.*Hα-helixtrans-77.4-22.2-180-62.7-57.7-67.700113.3H746 K747 R752 M753 M754H746-M750 WeakPolarHBondContact O-CB 3.48Å; H746-M750 WeakPolarHBondContact O-CG 3.39Å; H746-M750 PolarHBondContact O-N 2.83Å; K747-M750 PolarHBondContact O-N 3.49Å; M750-R752 PolarHBondContact O-N 3.41Å; M750-M753 HydrophobicContact CE-SD 4.13Å; M750-M753 CarbonylContact O-C 3.16Å; M750-M753 WeakPolarHBondContact O-CA 3.47Å; M750-M753 WeakPolarHBondContact O-CB 3.3Å; M750-M753 PolarHBondContact O-N 3.34Å; M750-M753 HydrophobicContact SD-SD 4.19Å; M750-M754 PolarHBondContact O-N 3.43Å
751S77.1Confident80.3Confident60 Ų60113.4 Ų113.442%0.4254%0.539SS..G310 helixtrans-65.5-26.1175.463.30000112.4K747 K748 M753 M754K747-S751 WeakPolarHBondContact O-CA 3.18Å; K747-S751 WeakPolarHBondContact O-CB 3.42Å; K747-S751 PolarHBondContact O-N 3.34Å; K747-S751 PolarHBondContact O-OG 2.68Å; K748-S751 WeakPolarHBondContact CA-OG 3.08Å; K748-S751 PolarHBondContact O-OG 3.34Å; K748-S751 VanDerWaalsContact O-OG 3.11Å; S751-M753 PolarHBondContact O-N 3.3Å; S751-M754 WeakPolarHBondContact O-CB 3.46Å; S751-M754 PolarHBondContact O-N 3.16Å; S751-M754 VanDerWaalsContact O-N 3.09Å
752R78.8Confident80.1Confident210 Ų210110.1 Ų110.179%0.79253%0.533SS*.G310 helixtrans-64.3-21.8170-60.2179.7-179.3-174.7-2.2113M750M750-R752 PolarHBondContact O-N 3.41Å
753M76.2Confident79.9Confident101 Ų101112.1 Ų112.150%0.49854%0.541SS..G310 helixtrans-101.64.6175.4-56.9176.968.900112M750 S751 K757M750-M753 HydrophobicContact CE-SD 4.13Å; M750-M753 CarbonylContact O-C 3.16Å; M750-M753 WeakPolarHBondContact O-CA 3.47Å; M750-M753 WeakPolarHBondContact O-CB 3.3Å; M750-M753 PolarHBondContact O-N 3.34Å; M750-M753 HydrophobicContact SD-SD 4.19Å; S751-M753 PolarHBondContact O-N 3.3Å; M753-K757 WeakPolarHBondContact O-CB 3.4Å; M753-K757 PolarHBondContact O-N 3.18Å
754M74.9Confident79.8Confident67 Ų67112.6 Ų112.633%0.3354%0.536SS..Hα-helixtrans-69.9-37.3179.1-81.1-69.5-66.500111.4M750 S751 K757 E758M750-M754 PolarHBondContact O-N 3.43Å; S751-M754 WeakPolarHBondContact O-CB 3.46Å; S751-M754 PolarHBondContact O-N 3.16Å; S751-M754 VanDerWaalsContact O-N 3.09Å; M754-K757 PolarHBondContact O-N 3.24Å; M754-K757 HydrophobicContact SD-CD 3.72Å; M754-E758 HydrophobicContact CE-CG 4.37Å; M754-E758 WeakPolarHBondContact CE-OE1 3.33Å; M754-E758 WeakPolarHBondContact O-CB 3.41Å; M754-E758 VanDerWaalsContact O-CG 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.22Å; M754-E758 PolarHBondContact O-N 2.81Å
755E79.5Confident79.2Confident164 Ų164112.4 Ų112.477%0.76654%0.537SS*.Hα-helixtrans-64.3-44.9175.6-66.5173.2-164.900111.4E758 G759E755-E758 PolarHBondContact O-N 2.72Å; E755-G759 PolarHBondContact O-N 3.45Å
756D79.4Confident78.9Confident117 Ų117109.1 Ų109.163%0.62653%0.533SS*.Hα-helixtrans-62.1-45.4173-68.9-47.3000112.2G759 F760D756-G759 PolarHBondContact O-N 2.9Å; D756-F760 VanDerWaalsContact O-CB 3.23Å; D756-F760 WeakPolarHBondContact O-CB 3.31Å; D756-F760 PolarHBondContact O-N 3.06Å
757K77.5Confident78.6Confident106 Ų106106.2 Ų106.246%0.46153%0.53SS..Hα-helixtrans-65.2-39.1178.9179.9-156.2169-158.50111.2M753 M754 F760 L761M753-K757 WeakPolarHBondContact O-CB 3.4Å; M753-K757 PolarHBondContact O-N 3.18Å; M754-K757 PolarHBondContact O-N 3.24Å; M754-K757 HydrophobicContact SD-CD 3.72Å; K757-F760 PolarHBondContact O-N 2.82Å; K757-L761 HydrophobicContact CD-CD1 4.39Å; K757-L761 HydrophobicContact CG-CD1 4.01Å; K757-L761 HydrophobicContact CG-CG 4.35Å; K757-L761 WeakPolarHBondContact O-CA 3.43Å; K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 VanDerWaalsContact O-CG 3.27Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.11Å
758E80.8Confident78.2Confident111 Ų111104.2 Ų104.252%0.51952%0.518SS..Hα-helixtrans-74-36.2176.8-74.7174.6-177.800110.8M754 E755 A762M754-E758 HydrophobicContact CE-CG 4.37Å; M754-E758 WeakPolarHBondContact CE-OE1 3.33Å; M754-E758 WeakPolarHBondContact O-CB 3.41Å; M754-E758 VanDerWaalsContact O-CG 3.26Å; M754-E758 WeakPolarHBondContact O-CG 3.22Å; M754-E758 PolarHBondContact O-N 2.81Å; E755-E758 PolarHBondContact O-N 2.72Å; E758-A762 WeakPolarHBondContact O-CA 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.45Å; E758-A762 PolarHBondContact O-N 3.06Å
759G84.6Confident77.8Confident33 Ų3399.7 Ų99.734%0.3451%0.505SS..Hα-helixtrans-66.8-32.4170.200000113.9E755 D756 K763E755-G759 PolarHBondContact O-N 3.45Å; D756-G759 PolarHBondContact O-N 2.9Å; G759-K763 VanDerWaalsContact O-CD 3.32Å; G759-K763 WeakPolarHBondContact O-CD 3.41Å; G759-K763 VanDerWaalsContact O-CG 3.28Å; G759-K763 WeakPolarHBondContact O-CG 3.27Å; G759-K763 PolarHBondContact O-N 3.24Å
760F78.1Confident77.5Confident133 Ų13396.4 Ų96.458%0.58350%0.496SS*.Hα-helixtrans-78.9-45.7175-178.6-110.3000111.9D756 K757 K763 I764D756-F760 VanDerWaalsContact O-CB 3.23Å; D756-F760 WeakPolarHBondContact O-CB 3.31Å; D756-F760 PolarHBondContact O-N 3.06Å; K757-F760 PolarHBondContact O-N 2.82Å; F760-K763 PolarHBondContact O-N 2.91Å; F760-I764 HydrophobicContact CD1-CD1 4.03Å; F760-I764 HydrophobicContact CD2-CD1 4.45Å; F760-I764 HydrophobicContact CE1-CD1 3.46Å; F760-I764 VanDerWaalsContact CE1-CD1 3.46Å; F760-I764 HydrophobicContact CE2-CD1 3.93Å; F760-I764 HydrophobicContact CZ-CD1 3.4Å; F760-I764 VanDerWaalsContact CZ-CD1 3.4Å; F760-I764 PolarHBondContact O-N 3.27Å
761L75.9Confident77.5Confident72 Ų7293.8 Ų93.838%0.37748%0.484SS..Hα-helixtrans-64.3-44.1174-76.6178.7000110.7K757 K763 I764 T765K757-L761 HydrophobicContact CD-CD1 4.39Å; K757-L761 HydrophobicContact CG-CD1 4.01Å; K757-L761 HydrophobicContact CG-CG 4.35Å; K757-L761 WeakPolarHBondContact O-CA 3.43Å; K757-L761 WeakPolarHBondContact O-CB 3.28Å; K757-L761 VanDerWaalsContact O-CG 3.27Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.11Å; L761-K763 PolarHBondContact O-N 2.95Å; L761-I764 CarbonylContact O-C 3.05Å; L761-I764 VanDerWaalsContact O-C 3.28Å; L761-I764 WeakPolarHBondContact O-CA 3.34Å; L761-I764 PolarHBondContact O-N 3.32Å; L761-T765 WeakPolarHBondContact O-CA 3.26Å; L761-T765 WeakPolarHBondContact O-CB 3.35Å; L761-T765 WeakPolarHBondContact O-CG2 3.49Å; L761-T765 PolarHBondContact O-N 2.89Å; L761-T765 PolarHBondContact O-OG1 3.35Å
762A80.7Confident77.3Confident53 Ų5395.9 Ų95.944%0.43848%0.483SS..Hα-helixtrans-59-31.5175.900000112.6E758 T765 A766E758-A762 WeakPolarHBondContact O-CA 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.45Å; E758-A762 PolarHBondContact O-N 3.06Å; A762-T765 WeakPolarHBondContact CA-OG1 3.44Å; A762-T765 CarbonylContact O-C 3.6Å; A762-A766 WeakPolarHBondContact O-CB 3.48Å; A762-A766 PolarHBondContact O-N 3.48Å
763K81.7Confident77.3Confident154 Ų15489 Ų8967%0.6746%0.46SS*.Hα-helixtrans-71.2-44.4170.1-71165.7-171.7170.70111.4G759 F760 L761 T765 A766 A767G759-K763 VanDerWaalsContact O-CD 3.32Å; G759-K763 WeakPolarHBondContact O-CD 3.41Å; G759-K763 VanDerWaalsContact O-CG 3.28Å; G759-K763 WeakPolarHBondContact O-CG 3.27Å; G759-K763 PolarHBondContact O-N 3.24Å; F760-K763 PolarHBondContact O-N 2.91Å; L761-K763 PolarHBondContact O-N 2.95Å; K763-T765 PolarHBondContact O-N 3.43Å; K763-A766 PolarHBondContact O-N 2.97Å; K763-A767 WeakPolarHBondContact O-CB 3.42Å; K763-A767 PolarHBondContact O-N 3.33Å
764I79.1Confident77.4Confident67 Ų6788.2 Ų88.234%0.34446%0.455SS..Hα-helixtrans-71.3-14.9175.3-71179.3000113F760 L761 A767 R768F760-I764 HydrophobicContact CD1-CD1 4.03Å; F760-I764 HydrophobicContact CD2-CD1 4.45Å; F760-I764 HydrophobicContact CE1-CD1 3.46Å; F760-I764 VanDerWaalsContact CE1-CD1 3.46Å; F760-I764 HydrophobicContact CE2-CD1 3.93Å; F760-I764 HydrophobicContact CZ-CD1 3.4Å; F760-I764 VanDerWaalsContact CZ-CD1 3.4Å; F760-I764 PolarHBondContact O-N 3.27Å; L761-I764 CarbonylContact O-C 3.05Å; L761-I764 VanDerWaalsContact O-C 3.28Å; L761-I764 WeakPolarHBondContact O-CA 3.34Å; L761-I764 PolarHBondContact O-N 3.32Å; I764-A767 CarbonylContact O-C 3.58Å; I764-R768 WeakPolarHBondContact O-CB 3.42Å; I764-R768 PolarHBondContact O-N 2.65Å
765T73.5Confident77.7Confident71 Ų7189.3 Ų89.344%0.43646%0.458SS..THydrogen-bonded Turntrans-115.411.6176.974.50000114.7L761 A762 K763 R768 S769L761-T765 WeakPolarHBondContact O-CA 3.26Å; L761-T765 WeakPolarHBondContact O-CB 3.35Å; L761-T765 WeakPolarHBondContact O-CG2 3.49Å; L761-T765 PolarHBondContact O-N 2.89Å; L761-T765 PolarHBondContact O-OG1 3.35Å; A762-T765 WeakPolarHBondContact CA-OG1 3.44Å; A762-T765 CarbonylContact O-C 3.6Å; K763-T765 PolarHBondContact O-N 3.43Å; T765-R768 VanDerWaalsContact C-C 3.41Å; T765-R768 VanDerWaalsContact CA-CA 3.48Å; T765-R768 HydrophobicContact CG2-CB 4.11Å; T765-R768 CarbonylContact O-C 3.52Å; T765-S769 WeakPolarHBondContact O-CA 3.24Å; T765-S769 WeakPolarHBondContact O-CB 3.5Å; T765-S769 PolarHBondContact O-N 3.12Å
766A77.6Confident77.6Confident65 Ų6585 Ų8554%0.53744%0.44SS..THydrogen-bonded Turntrans-114.3-14.9155.600000111.2A762 K763 R768 S769 E1150A762-A766 WeakPolarHBondContact O-CB 3.48Å; A762-A766 PolarHBondContact O-N 3.48Å; K763-A766 PolarHBondContact O-N 2.97Å; A766-R768 VanDerWaalsContact C-N 3.32Å; A766-S769 WeakPolarHBondContact CA-OG 3.33Å; A766-S769 PolarHBondContact O-OG 2.92Å; A766-E1150 VanDerWaalsContact C-OE1 3.31Å; A766-E1150 VanDerWaalsContact O-OE1 3.1Å
767A75.8Confident77.7Confident56 Ų5683.9 Ų83.946%0.46343%0.429SS..SBendtrans-94.721.8140.400000111.8K763 I764 E1150K763-A767 WeakPolarHBondContact O-CB 3.42Å; K763-A767 PolarHBondContact O-N 3.33Å; I764-A767 CarbonylContact O-C 3.58Å; A767-E1150 WeakPolarHBondContact CA-OE1 3.44Å; A767-E1150 PolarHBondContact N-OE1 3.14Å
768R72.4Confident77.8Confident104 Ų10480.6 Ų80.639%0.39242%0.422SS..SBendtrans-14033.2153-85.4144.6-165.972.87.2113.2I764 T765 A766 E1149 E1150 G1151I764-R768 WeakPolarHBondContact O-CB 3.42Å; I764-R768 PolarHBondContact O-N 2.65Å; T765-R768 VanDerWaalsContact C-C 3.41Å; T765-R768 VanDerWaalsContact CA-CA 3.48Å; T765-R768 HydrophobicContact CG2-CB 4.11Å; T765-R768 CarbonylContact O-C 3.52Å; A766-R768 VanDerWaalsContact C-N 3.32Å; R768-E1149 HydrophobicContact CG-CB 4.3Å; R768-E1149 WeakPolarHBondContact CG-O 3.47Å; R768-E1149 IonicContact CZ-OE2 2.65Å; R768-E1149 IonicContact NH2-OE2 2.7Å; R768-E1149 PolarHBondContact NH2-OE2 3.44Å; R768-E1150 VanDerWaalsContact C-CA 3.43Å; R768-E1150 VanDerWaalsContact C-OE1 3.28Å; R768-E1150 VanDerWaalsContact CA-CB 3.48Å; R768-E1150 WeakPolarHBondContact CA-OE1 3.44Å; R768-E1150 HydrophobicContact CB-CB 4.4Å; R768-E1150 PolarHBondContact N-OE1 3.12Å; R768-E1150 CarbonylContact O-C 3.37Å; R768-E1150 WeakPolarHBondContact O-CA 3.34Å; R768-G1151 PolarHBondContact O-N 3.25Å
769S72.9Confident77.4Confident53 Ų5381.5 Ų81.537%0.37142%0.424SS..SBendtrans-95-47.2169.359.80000118.7T765 A766 E1150 G1151T765-S769 WeakPolarHBondContact O-CA 3.24Å; T765-S769 WeakPolarHBondContact O-CB 3.5Å; T765-S769 PolarHBondContact O-N 3.12Å; A766-S769 WeakPolarHBondContact CA-OG 3.33Å; A766-S769 PolarHBondContact O-OG 2.92Å; S769-E1150 VanDerWaalsContact C-CB 3.43Å; S769-E1150 VanDerWaalsContact N-CB 3.35Å; S769-E1150 VanDerWaalsContact N-CD 3.29Å; S769-E1150 PolarHBondContact N-OE1 3.33Å; S769-G1151 WeakPolarHBondContact O-CA 3.31Å
770F74.7Confident77Confident121 Ų12185.1 Ų85.153%0.53143%0.432SS..SBendtrans-115.7-40-167.4166.5-106.6000118.1E773 E1150F770-E773 WeakPolarHBondContact CD2-OE2 3.17Å; F770-E773 WeakPolarHBondContact O-CA 3.4Å; F770-E773 WeakPolarHBondContact O-CB 3.42Å; F770-E773 WeakPolarHBondContact O-CG 3.4Å; F770-E773 PolarHBondContact O-N 2.84Å; F770-E1150 WeakPolarHBondContact CA-OE2 3.46Å; F770-E1150 WeakPolarHBondContact CB-OE2 3.49Å; F770-E1150 PolarHBondContact N-OE1 3.46Å; F770-E1150 PolarHBondContact N-OE2 2.74Å
771I77.1Confident77.2Confident52 Ų5284.9 Ų84.927%0.26743%0.433SS..THydrogen-bonded Turntrans-96.310.4-164.9-143.9161.4000117.8E774 N1148 E1150I771-E774 HydrophobicContact CG1-CG 3.68Å; I771-E774 WeakPolarHBondContact CG1-OE1 3.41Å; I771-E774 WeakPolarHBondContact CG1-OE2 3.03Å; I771-E774 VanDerWaalsContact O-CB 3.32Å; I771-E774 WeakPolarHBondContact O-CB 3.22Å; I771-N1148 HydrophobicContact CB-CB 4.21Å; I771-N1148 HydrophobicContact CG1-CB 4.19Å; I771-N1148 HydrophobicContact CG2-CB 3.35Å; I771-N1148 WeakPolarHBondContact O-CB 3.3Å; I771-E1150 HydrophobicContact CB-CG 4.03Å; I771-E1150 WeakPolarHBondContact CB-OE2 3.3Å; I771-E1150 HydrophobicContact CG2-CG 3.51Å; I771-E1150 VanDerWaalsContact CG2-OE2 3.3Å; I771-E1150 WeakPolarHBondContact CG2-OE2 3.33Å; I771-E1150 PolarHBondContact N-OE2 3.44Å
772Y73.1Confident77.3Confident103 Ų10389.9 Ų89.940%0.40445%0.447SS..THydrogen-bonded Turntrans-109.717.213792.131.2000115.3E774 K775 L776 E1149 E1150Y772-E774 VanDerWaalsContact CA-N 3.32Å; Y772-E774 PolarHBondContact O-N 2.87Å; Y772-K775 HydrophobicContact CD2-CB 4.29Å; Y772-K775 HydrophobicContact CD2-CD 4.02Å; Y772-K775 HydrophobicContact CD2-CG 4.46Å; Y772-K775 HydrophobicContact CG-CB 4.15Å; Y772-K775 PolarHBondContact O-N 3.04Å; Y772-L776 WeakPolarHBondContact O-CA 3.47Å; Y772-L776 WeakPolarHBondContact O-CB 3.42Å; Y772-L776 PolarHBondContact O-N 2.95Å; Y772-E1149 HydrophobicContact CD2-CB 3.49Å; Y772-E1149 VanDerWaalsContact CD2-CB 3.49Å; Y772-E1149 HydrophobicContact CD2-CG 3.68Å; Y772-E1149 HydrophobicContact CE2-CB 3.85Å; Y772-E1149 HydrophobicContact CE2-CG 3.94Å; Y772-E1149 HydrophobicContact CG-CB 4.24Å; Y772-E1150 CarbonylContact C-O 3.57Å; Y772-E1150 WeakPolarHBondContact CA-O 3.35Å; Y772-E1150 VanDerWaalsContact CB-N 3.34Å; Y772-E1150 WeakPolarHBondContact CD1-O 3.49Å; Y772-E1150 VanDerWaalsContact N-CB 3.25Å; Y772-E1150 PolarHBondContact N-O 3.47Å
773E77.5Confident77Confident65 Ų6590 Ų9030%0.30444%0.44SS..Hα-helixtrans-55.9-27.1137.9-49.4169.9-168.800108.6F770 K777 E1150F770-E773 WeakPolarHBondContact CD2-OE2 3.17Å; F770-E773 WeakPolarHBondContact O-CA 3.4Å; F770-E773 WeakPolarHBondContact O-CB 3.42Å; F770-E773 WeakPolarHBondContact O-CG 3.4Å; F770-E773 PolarHBondContact O-N 2.84Å; E773-K777 HydrophobicContact CB-CD 4.29Å; E773-K777 WeakPolarHBondContact O-CA 3.46Å; E773-K777 WeakPolarHBondContact O-CB 3.35Å; E773-K777 WeakPolarHBondContact O-CD 3.35Å; E773-K777 WeakPolarHBondContact O-CG 3.3Å; E773-K777 PolarHBondContact O-N 3.24Å; E773-K777 IonicContact OE2-NZ 3.24Å; E773-K777 PolarHBondContact OE2-NZ 2.93Å; E773-E1150 PolarHBondContact N-O 3.33Å
774E79.3Confident76.9Confident86 Ų8685.9 Ų85.940%0.40243%0.428SS..Hα-helixtrans-57.8-58164.6-62.6-175.215100114.2I771 Y772 L776 K777 A778 N1148I771-E774 HydrophobicContact CG1-CG 3.68Å; I771-E774 WeakPolarHBondContact CG1-OE1 3.41Å; I771-E774 WeakPolarHBondContact CG1-OE2 3.03Å; I771-E774 VanDerWaalsContact O-CB 3.32Å; I771-E774 WeakPolarHBondContact O-CB 3.22Å; Y772-E774 VanDerWaalsContact CA-N 3.32Å; Y772-E774 PolarHBondContact O-N 2.87Å; E774-L776 VanDerWaalsContact C-N 3.31Å; E774-L776 PolarHBondContact O-N 3.31Å; E774-K777 PolarHBondContact O-N 3.39Å; E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.49Å; E774-A778 PolarHBondContact O-N 2.97Å; E774-N1148 PolarHBondContact OE2-ND2 3.46Å
775K79.9Confident76.7Confident90 Ų9087.9 Ų87.939%0.39144%0.435SS..Hα-helixtrans-71-24.5179.9-53.7-179.8173.5146.40113.2Y772 F779 N1148 E1149Y772-K775 HydrophobicContact CD2-CB 4.29Å; Y772-K775 HydrophobicContact CD2-CD 4.02Å; Y772-K775 HydrophobicContact CD2-CG 4.46Å; Y772-K775 HydrophobicContact CG-CB 4.15Å; Y772-K775 PolarHBondContact O-N 3.04Å; K775-F779 WeakPolarHBondContact O-CB 3.12Å; K775-F779 PolarHBondContact O-N 2.91Å; K775-N1148 WeakPolarHBondContact CD-O 3.26Å; K775-N1148 WeakPolarHBondContact CE-O 3.31Å; K775-N1148 PolarHBondContact NZ-O 3.12Å; K775-E1149 IonicContact NZ-OE1 3.72Å; K775-E1149 PolarHBondContact NZ-OE1 3.13Å
776L77.1Confident76.7Confident73 Ų7389.1 Ų89.138%0.38244%0.436SS..Hα-helixtrans-74.3-45.1173.6-169.5148.2000110Y772 E774 A778 F779 E780Y772-L776 WeakPolarHBondContact O-CA 3.47Å; Y772-L776 WeakPolarHBondContact O-CB 3.42Å; Y772-L776 PolarHBondContact O-N 2.95Å; E774-L776 VanDerWaalsContact C-N 3.31Å; E774-L776 PolarHBondContact O-N 3.31Å; L776-A778 PolarHBondContact O-N 3.49Å; L776-F779 CarbonylContact O-C 3.58Å; L776-F779 PolarHBondContact O-N 3.33Å; L776-F779 VanDerWaalsContact O-N 3.13Å; L776-E780 HydrophobicContact CD2-CG 4.07Å; L776-E780 WeakPolarHBondContact O-CB 3.46Å; L776-E780 WeakPolarHBondContact O-CG 3.41Å; L776-E780 PolarHBondContact O-N 3.46Å
777K81.8Confident76.6Confident94 Ų9493.4 Ų93.441%0.40944%0.439SS..Hα-helixtrans-57.1-48.4168.5-71.5158.4-165155.70110.4E773 E774 F779 E780 E781E773-K777 HydrophobicContact CB-CD 4.29Å; E773-K777 WeakPolarHBondContact O-CA 3.46Å; E773-K777 WeakPolarHBondContact O-CB 3.35Å; E773-K777 WeakPolarHBondContact O-CD 3.35Å; E773-K777 WeakPolarHBondContact O-CG 3.3Å; E773-K777 PolarHBondContact O-N 3.24Å; E773-K777 IonicContact OE2-NZ 3.24Å; E773-K777 PolarHBondContact OE2-NZ 2.93Å; E774-K777 PolarHBondContact O-N 3.39Å; K777-F779 VanDerWaalsContact C-N 3.27Å; K777-F779 PolarHBondContact O-N 3.4Å; K777-E780 PolarHBondContact O-N 3Å; K777-E781 WeakPolarHBondContact O-CB 3.34Å; K777-E781 VanDerWaalsContact O-CG 3.27Å; K777-E781 WeakPolarHBondContact O-CG 3.16Å; K777-E781 PolarHBondContact O-N 3.3Å
778A81Confident76.7Confident37 Ų3796.6 Ų96.631%0.30644%0.442SS..Hα-helixtrans-66.3-24.817700000113.9E774 L776 R782E774-A778 VanDerWaalsContact O-CB 3.28Å; E774-A778 WeakPolarHBondContact O-CB 3.49Å; E774-A778 PolarHBondContact O-N 2.97Å; L776-A778 PolarHBondContact O-N 3.49Å; A778-R782 WeakPolarHBondContact O-CD 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.1Å; A778-R782 PolarHBondContact O-N 3.46Å
779F71.8Confident77Confident129 Ų12997.3 Ų97.357%0.56645%0.448SS*.Hα-helixtrans-79.2-42.2171.9-179.9-105.4000111.2K775 L776 K777 R782 L783K775-F779 WeakPolarHBondContact O-CB 3.12Å; K775-F779 PolarHBondContact O-N 2.91Å; L776-F779 CarbonylContact O-C 3.58Å; L776-F779 PolarHBondContact O-N 3.33Å; L776-F779 VanDerWaalsContact O-N 3.13Å; K777-F779 VanDerWaalsContact C-N 3.27Å; K777-F779 PolarHBondContact O-N 3.4Å; F779-R782 PolarHBondContact O-N 3.47Å; F779-L783 HydrophobicContact CD1-CD1 4.36Å; F779-L783 HydrophobicContact CE1-CD1 3.71Å; F779-L783 HydrophobicContact CZ-CD1 4.08Å; F779-L783 VanDerWaalsContact O-CB 3.26Å; F779-L783 WeakPolarHBondContact O-CB 3.48Å; F779-L783 PolarHBondContact O-N 3.3Å
780E75.9Confident76.9Confident109 Ų109100.8 Ų100.851%0.50945%0.453SS..Hα-helixtrans-63.7-40.1173.9-73.5-175146.400111.9L776 K777 L783 V784L776-E780 HydrophobicContact CD2-CG 4.07Å; L776-E780 WeakPolarHBondContact O-CB 3.46Å; L776-E780 WeakPolarHBondContact O-CG 3.41Å; L776-E780 PolarHBondContact O-N 3.46Å; K777-E780 PolarHBondContact O-N 3Å; E780-L783 CarbonylContact O-C 3.59Å; E780-L783 PolarHBondContact O-N 3.44Å; E780-V784 WeakPolarHBondContact O-CB 3.44Å; E780-V784 VanDerWaalsContact O-CG2 3.28Å; E780-V784 WeakPolarHBondContact O-CG2 3.46Å; E780-V784 PolarHBondContact O-N 3.17Å
781E81.8Confident76.5Confident128 Ų12899.8 Ų99.860%0.59845%0.451SS*.Hα-helixtrans-57.5-51.6171.1-76.4171.8165.900110.8K777 L783 V784 E785K777-E781 WeakPolarHBondContact O-CB 3.34Å; K777-E781 VanDerWaalsContact O-CG 3.27Å; K777-E781 WeakPolarHBondContact O-CG 3.16Å; K777-E781 PolarHBondContact O-N 3.3Å; E781-L783 VanDerWaalsContact C-N 3.31Å; E781-L783 PolarHBondContact O-N 3.47Å; E781-V784 CarbonylContact O-C 3.5Å; E781-V784 PolarHBondContact O-N 3.33Å; E781-E785 WeakPolarHBondContact O-CG 3.47Å; E781-E785 PolarHBondContact O-N 2.65Å
782R79.1Confident76.2Confident178 Ų178102.9 Ų102.967%0.67246%0.464SS*.Hα-helixtrans-60.5-37.7174.6-72.8171-173.2-165.12.2112.8A778 F779 E785 E786A778-R782 WeakPolarHBondContact O-CD 3.31Å; A778-R782 WeakPolarHBondContact O-CG 3.1Å; A778-R782 PolarHBondContact O-N 3.46Å; F779-R782 PolarHBondContact O-N 3.47Å; R782-E785 PolarHBondContact O-N 2.85Å; R782-E786 WeakPolarHBondContact O-CB 3.17Å; R782-E786 PolarHBondContact O-N 2.81Å
783L73.1Confident76.1Confident55 Ų55102.8 Ų102.829%0.28847%0.468SS..Hα-helixtrans-71.7-33.5178.8-152.1164.7000110.7F779 E780 E781 R787F779-L783 HydrophobicContact CD1-CD1 4.36Å; F779-L783 HydrophobicContact CE1-CD1 3.71Å; F779-L783 HydrophobicContact CZ-CD1 4.08Å; F779-L783 VanDerWaalsContact O-CB 3.26Å; F779-L783 WeakPolarHBondContact O-CB 3.48Å; F779-L783 PolarHBondContact O-N 3.3Å; E780-L783 CarbonylContact O-C 3.59Å; E780-L783 PolarHBondContact O-N 3.44Å; E781-L783 VanDerWaalsContact C-N 3.31Å; E781-L783 PolarHBondContact O-N 3.47Å; L783-R787 HydrophobicContact CD2-CG 4.05Å; L783-R787 VanDerWaalsContact O-CB 3.24Å; L783-R787 WeakPolarHBondContact O-CB 3.22Å; L783-R787 WeakPolarHBondContact O-CG 3.3Å; L783-R787 PolarHBondContact O-N 3.39Å
784V79.5Confident75.8Confident68 Ų68106.4 Ų106.441%0.41248%0.479SS..Hα-helixtrans-69.5-41170.1166.30000111.2E780 E781 R787 K788E780-V784 WeakPolarHBondContact O-CB 3.44Å; E780-V784 VanDerWaalsContact O-CG2 3.28Å; E780-V784 WeakPolarHBondContact O-CG2 3.46Å; E780-V784 PolarHBondContact O-N 3.17Å; E781-V784 CarbonylContact O-C 3.5Å; E781-V784 PolarHBondContact O-N 3.33Å; V784-R787 PolarHBondContact O-N 3.47Å; V784-K788 HydrophobicContact CG1-CD 4.29Å; V784-K788 WeakPolarHBondContact O-CB 3.12Å; V784-K788 VanDerWaalsContact O-CG 3.27Å; V784-K788 WeakPolarHBondContact O-CG 2.95Å; V784-K788 PolarHBondContact O-N 3.14Å
785E76.9Confident75.6Confident108 Ų108108.6 Ų108.651%0.50549%0.487SS..Hα-helixtrans-62.7-44.7172.6-73.7-174.9165.600112.3E781 R782 K788 K789E781-E785 WeakPolarHBondContact O-CG 3.47Å; E781-E785 PolarHBondContact O-N 2.65Å; R782-E785 PolarHBondContact O-N 2.85Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 3.22Å; E785-K789 WeakPolarHBondContact O-CG 3.23Å; E785-K789 PolarHBondContact O-N 3.01Å
786E73.1Confident75.3Confident97 Ų97107.8 Ų107.845%0.45349%0.49SS..Hα-helixtrans-70.6-34.1178.3-156.4-150.4-109.800111.7R782 K789 R790R782-E786 WeakPolarHBondContact O-CB 3.17Å; R782-E786 PolarHBondContact O-N 2.81Å; E786-K789 PolarHBondContact O-N 2.76Å; E786-R790 WeakPolarHBondContact O-CB 3.45Å; E786-R790 PolarHBondContact O-N 2.85Å; E786-R790 IonicContact OE2-CZ 3.77Å; E786-R790 IonicContact OE2-NE 2.98Å; E786-R790 PolarHBondContact OE2-NE 2.93Å; E786-R790 IonicContact OE2-NH2 2.69Å; E786-R790 PolarHBondContact OE2-NH2 3.45Å
787R74.3Confident74.7Confident156 Ų156109.5 Ų109.559%0.58950%0.496SS*.Hα-helixtrans-63.6-38.4167.9-79.9173.2179.4-176.95.9112.2L783 V784 M791L783-R787 HydrophobicContact CD2-CG 4.05Å; L783-R787 VanDerWaalsContact O-CB 3.24Å; L783-R787 WeakPolarHBondContact O-CB 3.22Å; L783-R787 WeakPolarHBondContact O-CG 3.3Å; L783-R787 PolarHBondContact O-N 3.39Å; V784-R787 PolarHBondContact O-N 3.47Å; R787-M791 VanDerWaalsContact O-CB 3.26Å; R787-M791 WeakPolarHBondContact O-CB 3.31Å; R787-M791 WeakPolarHBondContact O-CG 3.44Å; R787-M791 PolarHBondContact O-N 3Å
788K79.3Confident74.4Confident123 Ų123113 Ų11354%0.53551%0.506SS..Hα-helixtrans-62.7-50.7173.4-75.8166.2-178172.90110.4V784 E785 R790 M791 E792V784-K788 HydrophobicContact CG1-CD 4.29Å; V784-K788 WeakPolarHBondContact O-CB 3.12Å; V784-K788 VanDerWaalsContact O-CG 3.27Å; V784-K788 WeakPolarHBondContact O-CG 2.95Å; V784-K788 PolarHBondContact O-N 3.14Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 3.22Å; K788-R790 PolarHBondContact O-N 2.95Å; K788-M791 CarbonylContact O-C 3.6Å; K788-M791 WeakPolarHBondContact O-CA 3.4Å; K788-M791 WeakPolarHBondContact O-CB 3.4Å; K788-M791 PolarHBondContact O-N 3.49Å; K788-E792 WeakPolarHBondContact O-CG 3.44Å; K788-E792 PolarHBondContact O-N 3.44Å
789K77.7Confident74Confident119 Ų119118.8 Ų118.852%0.51753%0.525SS..Hα-helixtrans-55.7-52.3175.5-71.5173-179.5171.70112E785 E786 M791 E792 E793E785-K789 WeakPolarHBondContact O-CG 3.23Å; E785-K789 PolarHBondContact O-N 3.01Å; E786-K789 PolarHBondContact O-N 2.76Å; K789-M791 PolarHBondContact O-N 3.46Å; K789-E792 CarbonylContact O-C 3.07Å; K789-E792 WeakPolarHBondContact O-CA 3.46Å; K789-E792 PolarHBondContact O-N 3.01Å; K789-E793 WeakPolarHBondContact O-CG 3.44Å; K789-E793 PolarHBondContact O-N 2.93Å
790R71Confident73.8Confident125 Ų125118.2 Ų118.247%0.47252%0.524SS..Hα-helixtrans-62.4-26175.8-72.8-164.5-87.3159.5-10.5113.8E786 K788 E793 R794E786-R790 WeakPolarHBondContact O-CB 3.45Å; E786-R790 PolarHBondContact O-N 2.85Å; E786-R790 IonicContact OE2-CZ 3.77Å; E786-R790 IonicContact OE2-NE 2.98Å; E786-R790 PolarHBondContact OE2-NE 2.93Å; E786-R790 IonicContact OE2-NH2 2.69Å; E786-R790 PolarHBondContact OE2-NH2 3.45Å; K788-R790 PolarHBondContact O-N 2.95Å; R790-E793 WeakPolarHBondContact CA-OE2 3.39Å; R790-R794 WeakPolarHBondContact O-CB 3.2Å; R790-R794 WeakPolarHBondContact O-CD 3.17Å; R790-R794 WeakPolarHBondContact O-CG 3.34Å; R790-R794 PolarHBondContact O-N 2.97Å; R790-R794 VanDerWaalsContact O-N 3.11Å
791M65.4Low73.2Confident101 Ų101117.5 Ų117.550%0.49852%0.523SS..Hα-helixtrans-80.8-24.8172.3-77.5-70.6-75.600113.4R787 K788 K789 K795R787-M791 VanDerWaalsContact O-CB 3.26Å; R787-M791 WeakPolarHBondContact O-CB 3.31Å; R787-M791 WeakPolarHBondContact O-CG 3.44Å; R787-M791 PolarHBondContact O-N 3Å; K788-M791 CarbonylContact O-C 3.6Å; K788-M791 WeakPolarHBondContact O-CA 3.4Å; K788-M791 WeakPolarHBondContact O-CB 3.4Å; K788-M791 PolarHBondContact O-N 3.49Å; K789-M791 PolarHBondContact O-N 3.46Å; M791-K795 WeakPolarHBondContact O-CD 3.44Å; M791-K795 WeakPolarHBondContact O-CG 3.36Å; M791-K795 PolarHBondContact O-N 3.48Å
792E72.4Confident72.8Confident116 Ų116120.3 Ų120.354%0.54253%0.528SS..Hα-helixtrans-79.6-42172.9-73.9170.3172.100111.1K788 K789 R794 K795 T796K788-E792 WeakPolarHBondContact O-CG 3.44Å; K788-E792 PolarHBondContact O-N 3.44Å; K789-E792 CarbonylContact O-C 3.07Å; K789-E792 WeakPolarHBondContact O-CA 3.46Å; K789-E792 PolarHBondContact O-N 3.01Å; E792-R794 PolarHBondContact O-N 3.14Å; E792-K795 CarbonylContact O-C 3.52Å; E792-K795 WeakPolarHBondContact O-CA 3.42Å; E792-K795 WeakPolarHBondContact O-CB 3.37Å; E792-K795 PolarHBondContact O-N 3.29Å; E792-T796 PolarHBondContact O-N 2.95Å; E792-T796 PolarHBondContact O-OG1 3.38Å
793E70.6Confident72.4Confident101 Ų101120 Ų12047%0.47253%0.527SS..Hα-helixtrans-57.8-44.8168.6-69.3162.3-179.500111.4K789 R790 K795 T796 Q797K789-E793 WeakPolarHBondContact O-CG 3.44Å; K789-E793 PolarHBondContact O-N 2.93Å; R790-E793 WeakPolarHBondContact CA-OE2 3.39Å; E793-K795 PolarHBondContact O-N 3.39Å; E793-T796 WeakPolarHBondContact CA-OG1 3.47Å; E793-T796 PolarHBondContact O-N 2.88Å; E793-T796 PolarHBondContact O-OG1 2.64Å; E793-Q797 WeakPolarHBondContact O-CB 3.38Å; E793-Q797 VanDerWaalsContact O-CG 3.29Å; E793-Q797 WeakPolarHBondContact O-CG 3.43Å; E793-Q797 PolarHBondContact O-N 2.93Å
794R71.3Confident72.1Confident142 Ų142121.4 Ų121.454%0.53654%0.535SS..Hα-helixtrans-64.6-23.6171.9-75.9170.4178.8-167.5-2113.3R790 E792 R798R790-R794 WeakPolarHBondContact O-CB 3.2Å; R790-R794 WeakPolarHBondContact O-CD 3.17Å; R790-R794 WeakPolarHBondContact O-CG 3.34Å; R790-R794 PolarHBondContact O-N 2.97Å; R790-R794 VanDerWaalsContact O-N 3.11Å; E792-R794 PolarHBondContact O-N 3.14Å; R794-R798 WeakPolarHBondContact O-CB 3.46Å; R794-R798 VanDerWaalsContact O-CD 3.31Å; R794-R798 WeakPolarHBondContact O-CD 3.4Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-N 3.45Å; R794-R798 VanDerWaalsContact O-N 3.17Å
795K75.8Confident71.4Confident131 Ų131121.4 Ų121.457%0.5754%0.535SS*.Hα-helixtrans-82.4-32.6174.2-77.9166.3-177.3174.60112.1M791 E792 E793 K799M791-K795 WeakPolarHBondContact O-CD 3.44Å; M791-K795 WeakPolarHBondContact O-CG 3.36Å; M791-K795 PolarHBondContact O-N 3.48Å; E792-K795 CarbonylContact O-C 3.52Å; E792-K795 WeakPolarHBondContact O-CA 3.42Å; E792-K795 WeakPolarHBondContact O-CB 3.37Å; E792-K795 PolarHBondContact O-N 3.29Å; E793-K795 PolarHBondContact O-N 3.39Å; K795-K799 WeakPolarHBondContact O-CG 3.49Å; K795-K799 PolarHBondContact O-N 3.21Å
796T72.1Confident71.2Confident74 Ų74122.3 Ų122.345%0.45454%0.538SS..Hα-helixtrans-73-49172.852.70000110.5E792 E793 R798 K799 E800E792-T796 PolarHBondContact O-N 2.95Å; E792-T796 PolarHBondContact O-OG1 3.38Å; E793-T796 WeakPolarHBondContact CA-OG1 3.47Å; E793-T796 PolarHBondContact O-N 2.88Å; E793-T796 PolarHBondContact O-OG1 2.64Å; T796-R798 PolarHBondContact O-N 3.33Å; T796-K799 WeakPolarHBondContact O-CA 3.32Å; T796-K799 WeakPolarHBondContact O-CB 3.41Å; T796-K799 PolarHBondContact O-N 3.39Å; T796-E800 PolarHBondContact O-N 2.95Å
797Q65.9Low70.9Confident108 Ų108123.8 Ų123.851%0.50554%0.54SS..Hα-helixtrans-53-51.4173.1-72.2171.4-11.400111.1E793 K799 E800 D801E793-Q797 WeakPolarHBondContact O-CB 3.38Å; E793-Q797 VanDerWaalsContact O-CG 3.29Å; E793-Q797 WeakPolarHBondContact O-CG 3.43Å; E793-Q797 PolarHBondContact O-N 2.93Å; Q797-K799 PolarHBondContact O-N 3.05Å; Q797-K799 VanDerWaalsContact O-N 3.09Å; Q797-E800 CarbonylContact O-C 3.46Å; Q797-E800 PolarHBondContact O-N 3.41Å; Q797-D801 WeakPolarHBondContact O-CB 3.39Å; Q797-D801 VanDerWaalsContact O-CG 3.25Å; Q797-D801 PolarHBondContact O-N 3.35Å
798R73.9Confident70.4Confident169 Ų169124 Ų12464%0.63854%0.541SS*.Hα-helixtrans-62.6-18.7175.7-75.2173.4177.6-170.8-1.8115R794 T796 R802R794-R798 WeakPolarHBondContact O-CB 3.46Å; R794-R798 VanDerWaalsContact O-CD 3.31Å; R794-R798 WeakPolarHBondContact O-CD 3.4Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-N 3.45Å; R794-R798 VanDerWaalsContact O-N 3.17Å; T796-R798 PolarHBondContact O-N 3.33Å; R798-R802 WeakPolarHBondContact O-CB 3.44Å; R798-R802 WeakPolarHBondContact O-CD 3.36Å; R798-R802 WeakPolarHBondContact O-CG 3.09Å; R798-R802 PolarHBondContact O-N 3.16Å
799K72.8Confident69.7Low158 Ų158123.3 Ų123.369%0.68754%0.539SS*.Hα-helixtrans-82.4-40.7171-79.7176.1175.8-1760111.2K795 T796 Q797 R803K795-K799 WeakPolarHBondContact O-CG 3.49Å; K795-K799 PolarHBondContact O-N 3.21Å; T796-K799 WeakPolarHBondContact O-CA 3.32Å; T796-K799 WeakPolarHBondContact O-CB 3.41Å; T796-K799 PolarHBondContact O-N 3.39Å; Q797-K799 PolarHBondContact O-N 3.05Å; Q797-K799 VanDerWaalsContact O-N 3.09Å; K799-R803 PolarHBondContact O-N 3.07Å; K799-R803 VanDerWaalsContact O-N 3.11Å
800E67.3Low69.1Low117 Ų117124.3 Ų124.355%0.54754%0.544SS..Hα-helixtrans-69.7-45.1177.8-68.4173.9155.800111.2T796 Q797 R802 R803 N804T796-E800 PolarHBondContact O-N 2.95Å; Q797-E800 CarbonylContact O-C 3.46Å; Q797-E800 PolarHBondContact O-N 3.41Å; E800-R802 PolarHBondContact O-N 2.81Å; E800-R803 CarbonylContact O-C 3.45Å; E800-R803 WeakPolarHBondContact O-CA 3.39Å; E800-R803 VanDerWaalsContact O-CB 3.29Å; E800-R803 WeakPolarHBondContact O-CB 3.33Å; E800-R803 PolarHBondContact O-N 2.75Å; E800-N804 WeakPolarHBondContact O-CB 3.42Å; E800-N804 VanDerWaalsContact O-CG 3.25Å; E800-N804 PolarHBondContact O-N 2.92Å; E800-N804 PolarHBondContact O-ND2 2.93Å
801D64.1Low68.6Low93 Ų93123.9 Ų123.950%0.49755%0.547SS..Hα-helixtrans-53.5-50.1170.8-70.3-33.6000111.1Q797 R803 N804 T805Q797-D801 WeakPolarHBondContact O-CB 3.39Å; Q797-D801 VanDerWaalsContact O-CG 3.25Å; Q797-D801 PolarHBondContact O-N 3.35Å; D801-R803 PolarHBondContact O-N 3.03Å; D801-N804 CarbonylContact O-C 2.8Å; D801-N804 PolarHBondContact O-N 3.37Å; D801-N804 VanDerWaalsContact O-N 3.13Å; D801-T805 WeakPolarHBondContact O-CG2 3.17Å; D801-T805 PolarHBondContact O-N 3.25Å; D801-T805 PolarHBondContact O-OG1 2.89Å
802R73.3Confident68.5Low188 Ų188123.6 Ų123.671%0.70955%0.545SS*.Hα-helixtrans-60.7-33.4177.1-77.8173.4-173.8-158.1-1.9113R798 E800 T805 F806R798-R802 WeakPolarHBondContact O-CB 3.44Å; R798-R802 WeakPolarHBondContact O-CD 3.36Å; R798-R802 WeakPolarHBondContact O-CG 3.09Å; R798-R802 PolarHBondContact O-N 3.16Å; E800-R802 PolarHBondContact O-N 2.81Å; R802-T805 WeakPolarHBondContact CA-OG1 3.25Å; R802-T805 PolarHBondContact O-OG1 3.29Å; R802-F806 WeakPolarHBondContact O-CB 3.4Å; R802-F806 PolarHBondContact O-N 3.43Å; R802-F806 VanDerWaalsContact O-N 3.13Å
803R70.1Confident68Low171 Ų171123.6 Ų123.665%0.64555%0.545SS*.Hα-helixtrans-69.8-44.5175.7-145.3178.5-174.5-172.80.3110.2K799 E800 D801 F806 Y807K799-R803 PolarHBondContact O-N 3.07Å; K799-R803 VanDerWaalsContact O-N 3.11Å; E800-R803 CarbonylContact O-C 3.45Å; E800-R803 WeakPolarHBondContact O-CA 3.39Å; E800-R803 VanDerWaalsContact O-CB 3.29Å; E800-R803 WeakPolarHBondContact O-CB 3.33Å; E800-R803 PolarHBondContact O-N 2.75Å; D801-R803 PolarHBondContact O-N 3.03Å; R803-F806 PolarHBondContact O-N 3Å; R803-Y807 HydrophobicContact CG-CE2 4.08Å; R803-Y807 WeakPolarHBondContact O-CD2 3.37Å; R803-Y807 PolarHBondContact O-N 3.5Å; R803-Y807 VanDerWaalsContact O-N 3.11Å
804N66.8Low67.7Low85 Ų85121.9 Ų121.946%0.45555%0.548SS..Hα-helixtrans-70-38179.4-66.4-19.6000112.5E800 D801 Y807 R808E800-N804 WeakPolarHBondContact O-CB 3.42Å; E800-N804 VanDerWaalsContact O-CG 3.25Å; E800-N804 PolarHBondContact O-N 2.92Å; E800-N804 PolarHBondContact O-ND2 2.93Å; D801-N804 CarbonylContact O-C 2.8Å; D801-N804 PolarHBondContact O-N 3.37Å; D801-N804 VanDerWaalsContact O-N 3.13Å; N804-Y807 PolarHBondContact O-N 2.86Å; N804-R808 WeakPolarHBondContact O-CB 3.48Å; N804-R808 WeakPolarHBondContact O-CG 3.41Å; N804-R808 PolarHBondContact O-N 3.03Å
805T64.9Low66.9Low67 Ų67121 Ų12141%0.41155%0.55SS..Hα-helixtrans-67.9-35.7172.957.10000111.7D801 R802 R808 Q809D801-T805 WeakPolarHBondContact O-CG2 3.17Å; D801-T805 PolarHBondContact O-N 3.25Å; D801-T805 PolarHBondContact O-OG1 2.89Å; R802-T805 WeakPolarHBondContact CA-OG1 3.25Å; R802-T805 PolarHBondContact O-OG1 3.29Å; T805-R808 PolarHBondContact O-N 3.35Å; T805-Q809 VanDerWaalsContact O-CB 3.27Å; T805-Q809 WeakPolarHBondContact O-CB 3.45Å; T805-Q809 VanDerWaalsContact O-CG 3.23Å; T805-Q809 WeakPolarHBondContact O-CG 3.49Å; T805-Q809 PolarHBondContact O-N 3.05Å
806F73.4Confident66.3Low127 Ų127121 Ų12156%0.55755%0.546SS*.Hα-helixtrans-64.2-42.4174.3177.7-99.9000112R802 R803 K810R802-F806 WeakPolarHBondContact O-CB 3.4Å; R802-F806 PolarHBondContact O-N 3.43Å; R802-F806 VanDerWaalsContact O-N 3.13Å; R803-F806 PolarHBondContact O-N 3Å; F806-K810 WeakPolarHBondContact O-CB 3.37Å; F806-K810 PolarHBondContact O-N 3.42Å
807Y67.1Low65.8Low128 Ų128122.6 Ų122.650%0.50255%0.551SS.*Hα-helixtrans-64.9-47.1173.6-72.7-62000112R803 N804 Q809 K810 E811R803-Y807 HydrophobicContact CG-CE2 4.08Å; R803-Y807 WeakPolarHBondContact O-CD2 3.37Å; R803-Y807 PolarHBondContact O-N 3.5Å; R803-Y807 VanDerWaalsContact O-N 3.11Å; N804-Y807 PolarHBondContact O-N 2.86Å; Y807-Q809 PolarHBondContact O-N 3.27Å; Y807-K810 WeakPolarHBondContact O-CB 3.23Å; Y807-K810 PolarHBondContact O-N 3.33Å; Y807-E811 PolarHBondContact O-N 3.32Å
808R62.9Low65.3Low160 Ų160123.1 Ų123.160%0.60455%0.553SS**Hα-helixtrans-61.8-43.5177.6-74179.9-175.8171.32.5113.3N804 T805 K810 E811 E812N804-R808 WeakPolarHBondContact O-CB 3.48Å; N804-R808 WeakPolarHBondContact O-CG 3.41Å; N804-R808 PolarHBondContact O-N 3.03Å; T805-R808 PolarHBondContact O-N 3.35Å; R808-K810 PolarHBondContact O-N 2.96Å; R808-E811 CarbonylContact O-C 3.58Å; R808-E811 WeakPolarHBondContact O-CB 3.34Å; R808-E811 PolarHBondContact O-N 2.85Å; R808-E811 VanDerWaalsContact O-N 3.08Å; R808-E812 WeakPolarHBondContact O-CB 2.99Å; R808-E812 WeakPolarHBondContact O-CG 3.41Å; R808-E812 PolarHBondContact O-N 3.43Å
809Q65.6Low64.5Low109 Ų109121 Ų12151%0.50955%0.551SS.*Hα-helixtrans-61.1-35.6176.7-77173.4-22.900111.8T805 Y807 E812 E813T805-Q809 VanDerWaalsContact O-CB 3.27Å; T805-Q809 WeakPolarHBondContact O-CB 3.45Å; T805-Q809 VanDerWaalsContact O-CG 3.23Å; T805-Q809 WeakPolarHBondContact O-CG 3.49Å; T805-Q809 PolarHBondContact O-N 3.05Å; Y807-Q809 PolarHBondContact O-N 3.27Å; Q809-E812 PolarHBondContact O-N 3.44Å; Q809-E813 WeakPolarHBondContact O-CG 3.33Å; Q809-E813 PolarHBondContact O-N 3.31Å
810K65.2Low63.7Low141 Ų141119.8 Ų119.861%0.61355%0.547SS*.Hα-helixtrans-70.6-31.2175.5-161.7177.5-176.2-175.20112.9F806 Y807 R808 A814F806-K810 WeakPolarHBondContact O-CB 3.37Å; F806-K810 PolarHBondContact O-N 3.42Å; Y807-K810 WeakPolarHBondContact O-CB 3.23Å; Y807-K810 PolarHBondContact O-N 3.33Å; R808-K810 PolarHBondContact O-N 2.96Å; K810-A814 PolarHBondContact O-N 2.61Å
811E59.8Low63.1Low116 Ų116120.6 Ų120.654%0.54255%0.551SS.*Hα-helixtrans-73.9-41171.2-68172155.600111.5Y807 R808 E813 A814 Q815Y807-E811 PolarHBondContact O-N 3.32Å; R808-E811 CarbonylContact O-C 3.58Å; R808-E811 WeakPolarHBondContact O-CB 3.34Å; R808-E811 PolarHBondContact O-N 2.85Å; R808-E811 VanDerWaalsContact O-N 3.08Å; E811-E813 PolarHBondContact O-N 3.27Å; E811-A814 PolarHBondContact O-N 3.5Å; E811-Q815 WeakPolarHBondContact O-CB 3.49Å; E811-Q815 WeakPolarHBondContact O-CG 3.49Å; E811-Q815 PolarHBondContact O-N 3.34Å
812E62.5Low62.5Low95 Ų95119.7 Ų119.744%0.44455%0.546SS..Hα-helixtrans-68.2-29.1176.3-72.9169.3-177.300113.2R808 Q809 R816R808-E812 WeakPolarHBondContact O-CB 2.99Å; R808-E812 WeakPolarHBondContact O-CG 3.41Å; R808-E812 PolarHBondContact O-N 3.43Å; Q809-E812 PolarHBondContact O-N 3.44Å; E812-R816 WeakPolarHBondContact O-CB 3.36Å; E812-R816 VanDerWaalsContact O-CG 3.27Å; E812-R816 WeakPolarHBondContact O-CG 3.34Å; E812-R816 PolarHBondContact O-N 2.85Å; E812-R816 PolarHBondContact O-NE 3.37Å
813E63Low61.6Low116 Ų116117.8 Ų117.854%0.54254%0.543SS..Hα-helixtrans-70.9-42.6169.6-77.3-177.8164.400111.6Q809 E811 Q815 R816 I817Q809-E813 WeakPolarHBondContact O-CG 3.33Å; Q809-E813 PolarHBondContact O-N 3.31Å; E811-E813 PolarHBondContact O-N 3.27Å; E813-Q815 VanDerWaalsContact C-N 3.32Å; E813-Q815 PolarHBondContact O-N 3.01Å; E813-R816 PolarHBondContact O-N 2.98Å; E813-I817 WeakPolarHBondContact O-CG1 3.41Å; E813-I817 PolarHBondContact O-N 3.45Å
814A63Low61Low65 Ų65116.4 Ų116.454%0.53754%0.541SS..Hα-helixtrans-63-38.3174.200000112.2K810 E811K810-A814 PolarHBondContact O-N 2.61Å; E811-A814 PolarHBondContact O-N 3.5Å
815Q55.3Low60.4Low124 Ų124117.1 Ų117.158%0.57954%0.542SS*.Hα-helixtrans-71.2-41.6176.7-71.8172.812.400112.5E811 E813 I817 H818 E819E811-Q815 WeakPolarHBondContact O-CB 3.49Å; E811-Q815 WeakPolarHBondContact O-CG 3.49Å; E811-Q815 PolarHBondContact O-N 3.34Å; E813-Q815 VanDerWaalsContact C-N 3.32Å; E813-Q815 PolarHBondContact O-N 3.01Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 3.1Å; Q815-H818 WeakPolarHBondContact O-CA 3.39Å; Q815-H818 WeakPolarHBondContact O-CB 3.35Å; Q815-H818 PolarHBondContact O-N 3.06Å; Q815-E819 PolarHBondContact O-N 2.86Å
816R62.7Low59.7Low130 Ų130121.7 Ų121.749%0.49155%0.552SS.*Hα-helixtrans-63.4-35.6178.1-79.5177.2-70.8161.1-1.7113.4E812 E813 H818 E819 E820E812-R816 WeakPolarHBondContact O-CB 3.36Å; E812-R816 VanDerWaalsContact O-CG 3.27Å; E812-R816 WeakPolarHBondContact O-CG 3.34Å; E812-R816 PolarHBondContact O-N 2.85Å; E812-R816 PolarHBondContact O-NE 3.37Å; E813-R816 PolarHBondContact O-N 2.98Å; R816-H818 VanDerWaalsContact C-N 3.26Å; R816-H818 PolarHBondContact O-N 3.41Å; R816-E819 PolarHBondContact O-N 3.26Å; R816-E820 PolarHBondContact O-N 3.27Å
817I61.8Low58.7Low108 Ų108120.7 Ų120.755%0.55455%0.549SS*.Hα-helixtrans-62.8-34.7173.3-67.7166.8000111.3E813 Q815E813-I817 WeakPolarHBondContact O-CG1 3.41Å; E813-I817 PolarHBondContact O-N 3.45Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 3.1Å
818H56.9Low58.1Low119 Ų119121.4 Ų121.455%0.55156%0.556SS**Hα-helixtrans-75.4-36.9175.7-173-87.9000112.2Q815 R816 L822Q815-H818 WeakPolarHBondContact O-CA 3.39Å; Q815-H818 WeakPolarHBondContact O-CB 3.35Å; Q815-H818 PolarHBondContact O-N 3.06Å; R816-H818 VanDerWaalsContact C-N 3.26Å; R816-H818 PolarHBondContact O-N 3.41Å; H818-L822 PolarHBondContact O-N 3.25Å
819E55.6Low57.7Low125 Ų125121.4 Ų121.458%0.58456%0.556SS**Hα-helixtrans-71.5-35.2176.9-70.5-168.4145.700113.7Q815 R816 Q821 L822 K823Q815-E819 PolarHBondContact O-N 2.86Å; R816-E819 PolarHBondContact O-N 3.26Å; E819-Q821 VanDerWaalsContact C-N 3.27Å; E819-Q821 PolarHBondContact O-N 2.84Å; E819-L822 PolarHBondContact O-N 3.42Å; E819-K823 PolarHBondContact O-N 2.86Å
820E57Low57.1Low131 Ų131121.8 Ų121.861%0.61256%0.558SS**Hα-helixtrans-63.5-32.1174.6-80.4-158.4128.600112.9R816 K824R816-E820 PolarHBondContact O-N 3.27Å; E820-K824 PolarHBondContact O-N 2.82Å
821Q53.6Low56.7Low134 Ų134122.7 Ų122.763%0.62656%0.558SS**Hα-helixtrans-68.3-47.2173.8-67.2179.53.500110.6E819 K823 K824E819-Q821 VanDerWaalsContact C-N 3.27Å; E819-Q821 PolarHBondContact O-N 2.84Å; Q821-K823 VanDerWaalsContact C-N 3.29Å; Q821-K823 PolarHBondContact O-N 3.37Å; Q821-K824 PolarHBondContact O-N 3.35Å
822L52.6Low56.5Low75 Ų75122.7 Ų122.739%0.39356%0.561SS.*Hα-helixtrans-66.6-23.5177.1-82.3163.4000114.4H818 E819 R826H818-L822 PolarHBondContact O-N 3.25Å; E819-L822 PolarHBondContact O-N 3.42Å; L822-R826 WeakPolarHBondContact O-CG 3.43Å
823K54.8Low56Low148 Ų148123.3 Ų123.364%0.64356%0.564SS**Hα-helixtrans-74.8-41.8177.2-115.8178.7177.6178.60112.8E819 Q821 E825 R826 E827E819-K823 PolarHBondContact O-N 2.86Å; Q821-K823 VanDerWaalsContact C-N 3.29Å; Q821-K823 PolarHBondContact O-N 3.37Å; K823-E825 VanDerWaalsContact C-N 3.28Å; K823-E825 PolarHBondContact O-N 3.34Å; K823-R826 PolarHBondContact O-N 3.44Å; K823-E827 PolarHBondContact O-N 3.34Å; K823-E827 VanDerWaalsContact O-N 3.15Å
824K57.3Low55.4Low142 Ų142124 Ų12462%0.61757%0.567SS**Hα-helixtrans-61.8-37.8177.6-70.8173.6-179.3170.80111.7E820 Q821 R826 E827 E828E820-K824 PolarHBondContact O-N 2.82Å; Q821-K824 PolarHBondContact O-N 3.35Å; K824-R826 PolarHBondContact O-N 3.06Å; K824-E827 PolarHBondContact O-N 3.42Å; K824-E828 PolarHBondContact O-N 2.9Å
825E53.7Low54.9Low99 Ų99127.3 Ų127.346%0.46357%0.571SS.*Hα-helixtrans-69-10.7175.5-146.8-155.5141.800114.3K823 R829K823-E825 VanDerWaalsContact C-N 3.28Å; K823-E825 PolarHBondContact O-N 3.34Å; E825-R829 WeakPolarHBondContact O-CD 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.41Å; E825-R829 PolarHBondContact O-NE 3.3Å; E825-R829 IonicContact OE1-CZ 2.97Å; E825-R829 IonicContact OE1-NE 2.8Å; E825-R829 IonicContact OE1-NH2 3.89Å; E825-R829 PolarHBondContact OE1-NH2 3.26Å
826R50Low54.7Low164 Ų164128.8 Ų128.862%0.61957%0.572SS**Hα-helixtrans-96.8-39.5173.7-69.1-179.2-175.2-160.11.6112.5L822 K823 K824 E828 R829 E830L822-R826 WeakPolarHBondContact O-CG 3.43Å; K823-R826 PolarHBondContact O-N 3.44Å; K824-R826 PolarHBondContact O-N 3.06Å; R826-E828 PolarHBondContact O-N 3.15Å; R826-R829 PolarHBondContact O-N 3.1Å; R826-E830 PolarHBondContact O-N 3.27Å
827E52.2Low54.2Low106 Ų106129.7 Ų129.750%0.49558%0.575SS.*Hα-helixtrans-60.6-31.1177.5-71.3-171.8172.500113.1K823 K824 R831K823-E827 PolarHBondContact O-N 3.34Å; K823-E827 VanDerWaalsContact O-N 3.15Å; K824-E827 PolarHBondContact O-N 3.42Å; E827-R831 WeakPolarHBondContact O-CG 3.43Å
828E54.3Low53.6Low142 Ų142129.6 Ų129.666%0.66457%0.572SS**Hα-helixtrans-71.2-29.7173-68-170145.400113K824 R826K824-E828 PolarHBondContact O-N 2.9Å; R826-E828 PolarHBondContact O-N 3.15Å
829R55Low53.6Low160 Ų160130 Ų13060%0.60457%0.574SS**Hα-helixtrans-79.7-38.5179-61.2-179.7-171.1-141.55.3112.2E825 R826 R831 L832 E833E825-R829 WeakPolarHBondContact O-CD 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.41Å; E825-R829 PolarHBondContact O-NE 3.3Å; E825-R829 IonicContact OE1-CZ 2.97Å; E825-R829 IonicContact OE1-NE 2.8Å; E825-R829 IonicContact OE1-NH2 3.89Å; E825-R829 PolarHBondContact OE1-NH2 3.26Å; R826-R829 PolarHBondContact O-N 3.1Å; R829-R831 VanDerWaalsContact C-N 3.32Å; R829-R831 PolarHBondContact O-N 2.99Å; R829-L832 PolarHBondContact O-N 2.97Å; R829-E833 PolarHBondContact O-N 3.2Å
830E52.8Low53.6Low117 Ų117129.8 Ų129.855%0.54757%0.573SS.*Hα-helixtrans-67.4-30.4179.7-71.6-178.7168.700112.7R826 E833 Q834R826-E830 PolarHBondContact O-N 3.27Å; E830-E833 PolarHBondContact O-N 2.97Å; E830-Q834 WeakPolarHBondContact O-CG 3.42Å; E830-Q834 PolarHBondContact O-N 2.64Å
831R57Low53.3Low161 Ų161129.7 Ų129.761%0.60857%0.573SS**Hα-helixtrans-63.3-42.4173.4-69.6173.8-164.3-1645.8112.3E827 R829 E833 Q834 E835E827-R831 WeakPolarHBondContact O-CG 3.43Å; R829-R831 VanDerWaalsContact C-N 3.32Å; R829-R831 PolarHBondContact O-N 2.99Å; R831-E833 VanDerWaalsContact C-N 3.3Å; R831-E833 PolarHBondContact O-N 3.22Å; R831-Q834 PolarHBondContact O-N 2.95Å; R831-Q834 VanDerWaalsContact O-N 3.16Å; R831-E835 PolarHBondContact O-N 3.35Å
832L54.9Low53.2Low115 Ų115130.1 Ų130.160%0.60257%0.569SS**Hα-helixtrans-67.5-25.7177.3-82.6161.2000113.5R829R829-L832 PolarHBondContact O-N 2.97Å
833E53.2Low53.4Low108 Ų108132.1 Ų132.151%0.50558%0.576SS.*Hα-helixtrans-78.9-27.1170.6-86.9-15293.400113.6R829 E830 R831 R837R829-E833 PolarHBondContact O-N 3.2Å; E830-E833 PolarHBondContact O-N 2.97Å; R831-E833 VanDerWaalsContact C-N 3.3Å; R831-E833 PolarHBondContact O-N 3.22Å; E833-R837 WeakPolarHBondContact O-CG 3.2Å; E833-R837 IonicContact OE1-CZ 3.84Å; E833-R837 IonicContact OE1-NH2 2.85Å; E833-R837 PolarHBondContact OE1-NH2 3.35Å; E833-R837 IonicContact OE2-NH2 2.65Å
834Q48.8Very low53.2Low130 Ų130133 Ų13361%0.60758%0.577SS**Hα-helixtrans-73.8-44.6178.7-73.6177.9200111.9E830 R831 R836 R837 E838E830-Q834 WeakPolarHBondContact O-CG 3.42Å; E830-Q834 PolarHBondContact O-N 2.64Å; R831-Q834 PolarHBondContact O-N 2.95Å; R831-Q834 VanDerWaalsContact O-N 3.16Å; Q834-R836 VanDerWaalsContact C-N 3.31Å; Q834-R836 PolarHBondContact O-N 3.26Å; Q834-R837 PolarHBondContact O-N 3.08Å; Q834-R837 VanDerWaalsContact O-N 3.12Å; Q834-E838 PolarHBondContact O-N 3.29Å
835E53.5Low52.7Low135 Ų135130.4 Ų130.463%0.63157%0.566SS**Hα-helixtrans-57.4-43.1177.6-69.5-174.9132.500112R831 R837 E838 E839R831-E835 PolarHBondContact O-N 3.35Å; E835-R837 VanDerWaalsContact C-N 3.31Å; E835-R837 PolarHBondContact O-N 2.84Å; E835-E838 PolarHBondContact O-N 2.89Å; E835-E839 PolarHBondContact O-N 3.07Å
836R51.5Low52.6Low156 Ų156130.5 Ų130.559%0.58957%0.567SS**Hα-helixtrans-62.8-31.4177.8-79.8-166.259.2-143-17.3114.4Q834 E840Q834-R836 VanDerWaalsContact C-N 3.31Å; Q834-R836 PolarHBondContact O-N 3.26Å; R836-E840 IonicContact NH2-OE1 3.53Å; R836-E840 PolarHBondContact NH2-OE1 3.5Å; R836-E840 PolarHBondContact O-N 3.37Å
837R51.2Low52.8Low148 Ų148130.6 Ų130.656%0.55857%0.567SS**Hα-helixtrans-77.7-32.5179.4-68.2177.9-166.2-179.79.5111.8E833 Q834 E835 E839 E840 E841E833-R837 WeakPolarHBondContact O-CG 3.2Å; E833-R837 IonicContact OE1-CZ 3.84Å; E833-R837 IonicContact OE1-NH2 2.85Å; E833-R837 PolarHBondContact OE1-NH2 3.35Å; E833-R837 IonicContact OE2-NH2 2.65Å; Q834-R837 PolarHBondContact O-N 3.08Å; Q834-R837 VanDerWaalsContact O-N 3.12Å; E835-R837 VanDerWaalsContact C-N 3.31Å; E835-R837 PolarHBondContact O-N 2.84Å; R837-E839 VanDerWaalsContact C-N 3.32Å; R837-E839 PolarHBondContact O-N 2.92Å; R837-E840 PolarHBondContact O-N 3.14Å; R837-E841 PolarHBondContact O-N 3.44Å
838E50.6Low52.6Low107 Ų107130.2 Ų130.250%0.557%0.568SS.*Hα-helixtrans-65.1-33.7172.2-73.7-160-154.800112.7Q834 E835 R842Q834-E838 PolarHBondContact O-N 3.29Å; E835-E838 PolarHBondContact O-N 2.89Å; E838-R842 WeakPolarHBondContact O-CD 3.4Å; E838-R842 WeakPolarHBondContact O-CG 3.38Å; E838-R842 PolarHBondContact O-N 2.97Å; E838-R842 VanDerWaalsContact O-N 3.14Å; E838-R842 PolarHBondContact O-NE 3.27Å; E838-R842 IonicContact OE2-CZ 3.14Å; E838-R842 IonicContact OE2-NE 2.93Å; E838-R842 IonicContact OE2-NH2 2.64Å; E838-R842 PolarHBondContact OE2-NH2 3.32Å
839E56.7Low52.2Low127 Ų127130.5 Ų130.559%0.59356%0.563SS**Hα-helixtrans-67.9-43.4176.2-66.1-169.1135.600112.6E835 R837 E841 R842 E843E835-E839 PolarHBondContact O-N 3.07Å; R837-E839 VanDerWaalsContact C-N 3.32Å; R837-E839 PolarHBondContact O-N 2.92Å; E839-E841 PolarHBondContact O-N 3.48Å; E839-R842 PolarHBondContact O-N 2.89Å; E839-E843 PolarHBondContact O-N 3.49Å; E839-E843 VanDerWaalsContact O-N 3.16Å
840E54.3Low52.2Low121 Ų121128.6 Ų128.657%0.56556%0.559SS**Hα-helixtrans-64.5-37.1177.9-69.2175.4-167.200111.9R836 R837 Y844R836-E840 IonicContact NH2-OE1 3.53Å; R836-E840 PolarHBondContact NH2-OE1 3.5Å; R836-E840 PolarHBondContact O-N 3.37Å; R837-E840 PolarHBondContact O-N 3.14Å; E840-Y844 PolarHBondContact O-N 3.15Å
841E51.1Low52Low128 Ų128128.8 Ų128.860%0.59856%0.564SS**Hα-helixtrans-68.8-34.7172.9-73-166.5177.400113.4R837 E839 Y844 Q845R837-E841 PolarHBondContact O-N 3.44Å; E839-E841 PolarHBondContact O-N 3.48Å; E841-Y844 PolarHBondContact O-N 3.37Å; E841-Q845 WeakPolarHBondContact O-CG 3.12Å; E841-Q845 PolarHBondContact O-N 2.95Å
842R52.5Low51.4Low144 Ų144125.5 Ų125.554%0.54356%0.555SS.*Hα-helixtrans-66.5-41.7178.4-71.5160.7-168.2-1704111.7E838 E839 Y844 Q845 E846E838-R842 WeakPolarHBondContact O-CD 3.4Å; E838-R842 WeakPolarHBondContact O-CG 3.38Å; E838-R842 PolarHBondContact O-N 2.97Å; E838-R842 VanDerWaalsContact O-N 3.14Å; E838-R842 PolarHBondContact O-NE 3.27Å; E838-R842 IonicContact OE2-CZ 3.14Å; E838-R842 IonicContact OE2-NE 2.93Å; E838-R842 IonicContact OE2-NH2 2.64Å; E838-R842 PolarHBondContact OE2-NH2 3.32Å; E839-R842 PolarHBondContact O-N 2.89Å; R842-Y844 VanDerWaalsContact C-N 3.33Å; R842-Y844 PolarHBondContact O-N 3.31Å; R842-Q845 PolarHBondContact O-N 3.06Å; R842-E846 PolarHBondContact O-N 2.86Å; R842-E846 VanDerWaalsContact O-N 3.07Å
843E56.3Low51.2Low117 Ų117125 Ų12555%0.54755%0.549SS..Hα-helixtrans-60.3-39.8172.8-85.7-130.1162.800112.8E839 R847E839-E843 PolarHBondContact O-N 3.49Å; E839-E843 VanDerWaalsContact O-N 3.16Å; E843-R847 WeakPolarHBondContact O-CG 3.32Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE2-CZ 2.64Å; E843-R847 IonicContact OE2-NH2 2.71Å; E843-R847 PolarHBondContact OE2-NH2 3.34Å
844Y51.1Low50.7Low167 Ų167126.6 Ų126.666%0.65556%0.557SS**Hα-helixtrans-67.3-42.6179-167.8-101.3000111.6E840 E841 R842 E846 R847 L848E840-Y844 PolarHBondContact O-N 3.15Å; E841-Y844 PolarHBondContact O-N 3.37Å; R842-Y844 VanDerWaalsContact C-N 3.33Å; R842-Y844 PolarHBondContact O-N 3.31Å; Y844-E846 PolarHBondContact O-N 2.61Å; Y844-R847 PolarHBondContact O-N 3.44Å; Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CE1-CD1 3.86Å; Y844-L848 PolarHBondContact O-N 3.41Å
845Q45.8Very low50.7Low86 Ų86125.1 Ų125.140%0.40255%0.55SS.*Hα-helixtrans-66.4-34.9177-69.8-177.83500113.2E841 R842 R847 L848 R849E841-Q845 WeakPolarHBondContact O-CG 3.12Å; E841-Q845 PolarHBondContact O-N 2.95Å; R842-Q845 PolarHBondContact O-N 3.06Å; Q845-R847 VanDerWaalsContact C-N 3.32Å; Q845-R847 PolarHBondContact O-N 3.34Å; Q845-L848 PolarHBondContact O-N 3.1Å; Q845-R849 WeakPolarHBondContact O-CG 3.29Å; Q845-R849 PolarHBondContact O-N 3.28Å
846E52.5Low50.4Low102 Ų102126.5 Ų126.548%0.47755%0.549SS..Hα-helixtrans-59.2-39.9173.5-87.8-109.3146.200112.8R842 Y844 R849 K850R842-E846 PolarHBondContact O-N 2.86Å; R842-E846 VanDerWaalsContact O-N 3.07Å; Y844-E846 PolarHBondContact O-N 2.61Å; E846-R849 PolarHBondContact O-N 3.22Å; E846-K850 WeakPolarHBondContact O-CG 3.48Å; E846-K850 PolarHBondContact O-N 3.1Å; E846-K850 IonicContact OE2-NZ 3.17Å; E846-K850 PolarHBondContact OE2-NZ 3.41Å
847R53.5Low50.4Low165 Ų165125.1 Ų125.162%0.62355%0.548SS*.Hα-helixtrans-70.3-33.6-179.7-64.2177.4-163.9-163.27.4111.8E843 Y844 Q845E843-R847 WeakPolarHBondContact O-CG 3.32Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE2-CZ 2.64Å; E843-R847 IonicContact OE2-NH2 2.71Å; E843-R847 PolarHBondContact OE2-NH2 3.34Å; Y844-R847 PolarHBondContact O-N 3.44Å; Q845-R847 VanDerWaalsContact C-N 3.32Å; Q845-R847 PolarHBondContact O-N 3.34Å
848L47.3Very low49.8Very low99 Ų99124.6 Ų124.652%0.51855%0.552SS.*Hα-helixtrans-68.1-46.2171.4-84.5158.2000112.5Y844 Q845 K850 L851 E852Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CE1-CD1 3.86Å; Y844-L848 PolarHBondContact O-N 3.41Å; Q845-L848 PolarHBondContact O-N 3.1Å; L848-K850 VanDerWaalsContact C-N 3.27Å; L848-K850 PolarHBondContact O-N 3.07Å; L848-L851 PolarHBondContact O-N 3.31Å; L848-E852 PolarHBondContact O-N 3.48Å; L848-E852 VanDerWaalsContact O-N 3.1Å
849R47.7Very low49.3Very low147 Ų147126.9 Ų126.956%0.55556%0.556SS**Hα-helixtrans-58.7-36.4-180-72.4173.6-171179.17.1112.8Q845 E846 L851 E852 E853Q845-R849 WeakPolarHBondContact O-CG 3.29Å; Q845-R849 PolarHBondContact O-N 3.28Å; E846-R849 PolarHBondContact O-N 3.22Å; R849-L851 VanDerWaalsContact C-N 3.26Å; R849-L851 PolarHBondContact O-N 3.04Å; R849-E852 PolarHBondContact O-N 3.17Å; R849-E853 PolarHBondContact O-N 3Å
850K54.8Low48.7Very low121 Ų121123.7 Ų123.753%0.52655%0.551SS.*Hα-helixtrans-68-20.8178.1-74.1163-174.6156.10113.9E846 L848E846-K850 WeakPolarHBondContact O-CG 3.48Å; E846-K850 PolarHBondContact O-N 3.1Å; E846-K850 IonicContact OE2-NZ 3.17Å; E846-K850 PolarHBondContact OE2-NZ 3.41Å; L848-K850 VanDerWaalsContact C-N 3.27Å; L848-K850 PolarHBondContact O-N 3.07Å
851L47.6Very low48.3Very low121 Ų121127.3 Ų127.363%0.63456%0.56SS**Hα-helixtrans-84.6-44.2169.2-73.9160.4000111.2L848 R849 E853 Q854L848-L851 PolarHBondContact O-N 3.31Å; R849-L851 VanDerWaalsContact C-N 3.26Å; R849-L851 PolarHBondContact O-N 3.04Å; L851-E853 VanDerWaalsContact C-N 3.27Å; L851-E853 PolarHBondContact O-N 3.16Å; L851-Q854 PolarHBondContact O-N 3.22Å
852E45.6Very low48Very low92 Ų92128.4 Ų128.443%0.4357%0.565SS.*Hα-helixtrans-61.6-32.6179.6-158.3-167.2162.600112.8L848 R849 Q854 E855 R856L848-E852 PolarHBondContact O-N 3.48Å; L848-E852 VanDerWaalsContact O-N 3.1Å; R849-E852 PolarHBondContact O-N 3.17Å; E852-Q854 VanDerWaalsContact C-N 3.28Å; E852-Q854 PolarHBondContact O-N 3.37Å; E852-E855 PolarHBondContact O-N 3.21Å; E852-R856 PolarHBondContact O-N 3.22Å; E852-R856 IonicContact OE1-CZ 2.76Å; E852-R856 VanDerWaalsContact OE1-CZ 3.3Å; E852-R856 IonicContact OE1-NE 2.91Å; E852-R856 PolarHBondContact OE1-NE 3.34Å; E852-R856 IonicContact OE1-NH2 3.31Å; E852-R856 PolarHBondContact OE1-NH2 2.82Å
853E48.8Very low47.4Very low103 Ų103128.7 Ų128.748%0.48157%0.572SS.*Hα-helixtrans-66.9-25.4179-151.4-158.514000113.6R849 L851 K857R849-E853 PolarHBondContact O-N 3Å; L851-E853 VanDerWaalsContact C-N 3.27Å; L851-E853 PolarHBondContact O-N 3.16Å; E853-K857 WeakPolarHBondContact O-CD 3.46Å; E853-K857 WeakPolarHBondContact O-CG 3.37Å; E853-K857 WeakPolarHBondContact OE1-CE 3.37Å; E853-K857 IonicContact OE1-NZ 3.91Å; E853-K857 PolarHBondContact OE1-NZ 3.01Å
854Q44.4Very low46.6Very low143 Ų143131.2 Ų131.267%0.66858%0.584SS**Hα-helixtrans-74.5-37.5173.9-64-169.1-2.900111.3L851 E852L851-Q854 PolarHBondContact O-N 3.22Å; E852-Q854 VanDerWaalsContact C-N 3.28Å; E852-Q854 PolarHBondContact O-N 3.37Å
855E47.9Very low46Very low98 Ų98129.2 Ų129.246%0.45858%0.583SS.*Hα-helixtrans-79.2-38.1-178.2-144.5-165145.800112.8E852 K857 Q858 R859E852-E855 PolarHBondContact O-N 3.21Å; E855-K857 PolarHBondContact O-N 3.38Å; E855-Q858 PolarHBondContact O-N 2.93Å; E855-R859 PolarHBondContact O-N 3.25Å; E855-R859 IonicContact OE1-CZ 2.61Å; E855-R859 IonicContact OE1-NE 2.89Å; E855-R859 PolarHBondContact OE1-NE 3.28Å; E855-R859 IonicContact OE1-NH2 2.57Å; E855-R859 PolarHBondContact OE1-NH2 2.95Å; E855-R859 IonicContact OE2-NH2 2.95Å
856R48.4Very low45.4Very low164 Ų164128.9 Ų128.962%0.61958%0.582SS**Hα-helixtrans-56.2-35.6174.6-80.7-177.1177.4-156.82.2112.8E852 Q858 R859 A860E852-R856 PolarHBondContact O-N 3.22Å; E852-R856 IonicContact OE1-CZ 2.76Å; E852-R856 VanDerWaalsContact OE1-CZ 3.3Å; E852-R856 IonicContact OE1-NE 2.91Å; E852-R856 PolarHBondContact OE1-NE 3.34Å; E852-R856 IonicContact OE1-NH2 3.31Å; E852-R856 PolarHBondContact OE1-NH2 2.82Å; R856-Q858 VanDerWaalsContact C-N 3.25Å; R856-Q858 PolarHBondContact O-N 2.57Å; R856-R859 PolarHBondContact O-N 3.49Å; R856-A860 WeakPolarHBondContact O-CB 3.46Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.1Å
857K49.8Very low44.8Very low127 Ų127130.9 Ų130.955%0.55259%0.591SS**Hα-helixtrans-68.3-19.8177.8-74.9170.7-173.71620113.8E853 E855E853-K857 WeakPolarHBondContact O-CD 3.46Å; E853-K857 WeakPolarHBondContact O-CG 3.37Å; E853-K857 WeakPolarHBondContact OE1-CE 3.37Å; E853-K857 IonicContact OE1-NZ 3.91Å; E853-K857 PolarHBondContact OE1-NZ 3.01Å; E855-K857 PolarHBondContact O-N 3.38Å
858Q38.4Very low44.1Very low138 Ų138132.2 Ų132.265%0.64560%0.596SS**Hα-helixtrans-85.1-48.8171.7-61.3-169.35.200111.5E855 R856 A860 R861E855-Q858 PolarHBondContact O-N 2.93Å; R856-Q858 VanDerWaalsContact C-N 3.25Å; R856-Q858 PolarHBondContact O-N 2.57Å; Q858-A860 PolarHBondContact O-N 2.82Å; Q858-R861 PolarHBondContact O-N 3.19Å
859R41.3Very low43.5Very low155 Ų155133.2 Ų133.259%0.58560%0.601SS**Hα-helixtrans-65.7-35.5-175.3-61.9-173.9-175.6-159.93.8113.2E855 R856 R861 Q862E855-R859 PolarHBondContact O-N 3.25Å; E855-R859 IonicContact OE1-CZ 2.61Å; E855-R859 IonicContact OE1-NE 2.89Å; E855-R859 PolarHBondContact OE1-NE 3.28Å; E855-R859 IonicContact OE1-NH2 2.57Å; E855-R859 PolarHBondContact OE1-NH2 2.95Å; E855-R859 IonicContact OE2-NH2 2.95Å; R856-R859 PolarHBondContact O-N 3.49Å; R859-R861 VanDerWaalsContact C-N 3.33Å; R859-R861 PolarHBondContact O-N 3.42Å; R859-Q862 PolarHBondContact O-N 2.89Å; R859-Q862 VanDerWaalsContact O-N 3.16Å
860A44.8Very low42.7Very low60 Ų60136.4 Ų136.450%0.49661%0.613SS.*THydrogen-bonded Turntrans-59.4-39179.300000113.5R856 Q858 Q862 Q863R856-A860 WeakPolarHBondContact O-CB 3.46Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.1Å; Q858-A860 PolarHBondContact O-N 2.82Å; A860-Q862 PolarHBondContact O-N 3.02Å; A860-Q863 PolarHBondContact O-N 3.47Å
861R45.5Very low41.3Very low197 Ų197139.1 Ų139.174%0.74363%0.627SS**Hα-helixtrans-73-13.8-179.7-67.6-178.5174.7-177.2-1.2113.9Q858 R859Q858-R861 PolarHBondContact O-N 3.19Å; R859-R861 VanDerWaalsContact C-N 3.33Å; R859-R861 PolarHBondContact O-N 3.42Å
862Q44.2Very low40.5Very low150 Ų150141.6 Ų141.670%0.70163%0.633SS**Hα-helixtrans-10410-178.2-65.7-176.9-16.500113.3R859 A860 I865R859-Q862 PolarHBondContact O-N 2.89Å; R859-Q862 VanDerWaalsContact O-N 3.16Å; A860-Q862 PolarHBondContact O-N 3.02Å; Q862-I865 CarbonylContact C-O 3.57Å; Q862-I865 VanDerWaalsContact O-O 3.08Å
863Q39.5Very low39.6Very low150 Ų150143 Ų14370%0.70165%0.648SS**Hα-helixtrans-114.4-30.3171.8-67-177-31.100111.6A860 I865A860-Q863 PolarHBondContact O-N 3.47Å; Q863-I865 VanDerWaalsContact C-N 3.31Å
864E40.4Very low38.4Very low171 Ų171145.6 Ų145.680%0.79966%0.663SS**Hα-helixtrans-67.2-32.4169.7-165.2170.6-154.300112.1
865I38.8Very low37.4Very low125 Ų125143.3 Ų143.364%0.64166%0.664SS**THydrogen-bonded Turntrans-99.4110.4161.6-57.9176.8000107.1Q862 Q863Q862-I865 CarbonylContact C-O 3.57Å; Q862-I865 VanDerWaalsContact O-O 3.08Å; Q863-I865 VanDerWaalsContact C-N 3.31Å
866E33.1Very low37.2Very low78 Ų78144.2 Ų144.236%0.36468%0.678SS.*THydrogen-bonded Turncis-153.795.5-0.1-174161.3-137.800112.2R868 I869E866-R868 HydrophobicContact CG-CB 3.52Å; E866-R868 HydrophobicContact CG-CG 3.95Å; E866-R868 PolarHBondContact O-N 2.98Å; E866-R868 WeakPolarHBondContact OE1-CD 3.15Å; E866-R868 IonicContact OE1-CZ 2.76Å; E866-R868 IonicContact OE1-NE 3.5Å; E866-R868 IonicContact OE1-NH1 3.31Å; E866-R868 PolarHBondContact OE1-NH1 3.15Å; E866-I869 HydrophobicContact CB-CD1 4.33Å; E866-I869 HydrophobicContact CB-CG1 4.21Å; E866-I869 HydrophobicContact CG-CG1 4.15Å; E866-I869 PolarHBondContact O-N 3.25Å
867E39.6Very low36Very low144 Ų144143 Ų14367%0.67368%0.679SS**G310 helixtrans-60.7-11167.7-71.9-159.9100.400113.1I869 R870E867-I869 PolarHBondContact O-N 3.31Å; E867-R870 WeakPolarHBondContact O-CB 3.44Å; E867-R870 PolarHBondContact O-N 3.4Å; E867-R870 IonicContact OE1-NH1 3.51Å
868R38.3Very low34.9Very low193 Ų193143.4 Ų143.473%0.72868%0.683SS**G310 helixtrans-68.1-18.2169.9-52.1154.7147.8-173.1-2.2113.4E866 R870 Q871E866-R868 HydrophobicContact CG-CB 3.52Å; E866-R868 HydrophobicContact CG-CG 3.95Å; E866-R868 PolarHBondContact O-N 2.98Å; E866-R868 WeakPolarHBondContact OE1-CD 3.15Å; E866-R868 IonicContact OE1-CZ 2.76Å; E866-R868 IonicContact OE1-NE 3.5Å; E866-R868 IonicContact OE1-NH1 3.31Å; E866-R868 PolarHBondContact OE1-NH1 3.15Å; R868-R870 PolarHBondContact O-N 3.45Å; R868-R870 VanDerWaalsContact O-N 3.17Å; R868-Q871 PolarHBondContact O-N 3.07Å; R868-Q871 VanDerWaalsContact O-N 3.07Å
869I34.9Very low34.3Very low120 Ų120145 Ų14562%0.61569%0.688SS**G310 helixtrans-65.7-16.3173.8-66.6179.3000111.1E866 E867 Q871 K872E866-I869 HydrophobicContact CB-CD1 4.33Å; E866-I869 HydrophobicContact CB-CG1 4.21Å; E866-I869 HydrophobicContact CG-CG1 4.15Å; E866-I869 PolarHBondContact O-N 3.25Å; E867-I869 PolarHBondContact O-N 3.31Å; I869-Q871 PolarHBondContact O-N 3.38Å; I869-K872 PolarHBondContact O-N 3.13Å
870R30.9Very low33.4Very low215 Ų215147 Ų14781%0.81170%0.701SS**G310 helixtrans-64.55167.9-136.1171.7-168.7171.21.1114.3E867 R868E867-R870 WeakPolarHBondContact O-CB 3.44Å; E867-R870 PolarHBondContact O-N 3.4Å; E867-R870 IonicContact OE1-NH1 3.51Å; R868-R870 PolarHBondContact O-N 3.45Å; R868-R870 VanDerWaalsContact O-N 3.17Å
871Q25.8Very low33.3Very low177 Ų177149.1 Ų149.183%0.82771%0.71SS**G310 helixtrans-120.321.6173.9-69.9-165.5-19.500115.5R868 I869R868-Q871 PolarHBondContact O-N 3.07Å; R868-Q871 VanDerWaalsContact O-N 3.07Å; I869-Q871 PolarHBondContact O-N 3.38Å
872K30.1Very low32.5Very low173 Ų173146.9 Ų146.975%0.75271%0.705SS**SBendtrans-129.7104.4168.2-77.2-175.2178.1174.80113.9I869I869-K872 PolarHBondContact O-N 3.13Å
873T27.1Very low31.8Very low121 Ų121146.4 Ų146.474%0.74270%0.703SS**  trans46.9135.9133.359.30000120.8
874I23.8Very low31.4Very low158 Ų158146.3 Ų146.381%0.8170%0.703SS**  cis-168171.7-11.3-125.2164.3000107.8
875S22.6Very low31.1Very low96 Ų96145.3 Ų145.367%0.67170%0.696SS**  trans-81.3-164.8173.358.80000112.2
876P44.2Very low31.1Very low116 Ų116146.2 Ų146.275%0.75370%0.701SS**  cis-107.6-146.3-16.123.13000109.4
877Q23.8Very low31.1Very low140 Ų140151.8 Ų151.865%0.65473%0.728SS**  cis-138.3158.110.6-83.3-168.9-89.300109.4
878E25.6Very low30.5Very low134 Ų134149 Ų14963%0.62674%0.737SS**  cis81.194.834.2-167.5-144.1-118.500114.9
879K25.2Very low29.9Very low171 Ų171143.5 Ų143.574%0.74374%0.741SS**  175.2147.9125.2-96.3173.4-176.375.20114.7
880K24.4Very low29.4Very low198 Ų198148.1 Ų148.186%0.86175%0.75SS**  trans-81.3177.7159.2-64.2-177.6177.6-1800108.6
881P41.1Very low29.3Very low105 Ų105148.1 Ų148.168%0.68275%0.75SS**  cis-150.7-179.618.445.5-25.1000119.2
882K29Very low29.3Very low150 Ų150152 Ų15265%0.65276%0.757SS**  trans62.4127.2140.7-79.1173.9160.8-77.50120.1
883E29.3Very low29.2Very low140 Ų140152.3 Ų152.365%0.65476%0.759SS**  73.4147103.1-65.4166.8179.800113.9
884E32.4Very low29.1Very low148 Ų148152 Ų15269%0.69276%0.757SS**  cis-157165-9.1-111.2-171.215900104.9
885K33.3Very low29.3Very low150 Ų150151.5 Ų151.565%0.65276%0.756SS**  cis-155176.418.8-136.7170.1-177.875.20109.8
886D39.2Very low29.5Very low143 Ų143150.4 Ų150.477%0.76576%0.76SS**  trans-52.7156.4-175-49.1-80000115.4
887E32.3Very low28.8Very low196 Ų196152.6 Ų152.692%0.91677%0.765SS**  cis-148.6156.848.5-60.6-174.5136.700117
888G26.5Very low29Very low85 Ų85151 Ų15188%0.87677%0.769SS**  trans96124.3143.200000120.2
889G26.4Very low29.2Very low77 Ų77152.9 Ų152.979%0.79478%0.778SS**  trans167.581.5168.900000121.6
890W24.5Very low29.2Very low217 Ų217155.9 Ų155.982%0.82279%0.785SS**  trans15.7121.5147.9-65.785.6000125.5
891R28.5Very low29.3Very low215 Ų215158 Ų15881%0.81179%0.788SS**  trans35.1121.8135-61.3-172.4-176.7-170.3-0122.9
892R26.9Very low28.5Very low259 Ų259164.3 Ų164.398%0.97780%0.798SS**  -154.9-164114.2-137.4177.9177.6-176.3-2.6112.2
893K27.1Very low29Very low179 Ų179162.1 Ų162.178%0.77880%0.799SS**  trans-143.9-177.1-160.4-152.9-161.5176.1-162.30111.4
894T25.6Very low29.3Very low115 Ų115161.2 Ų161.271%0.70680%0.803SS**  trans86.4137.1177.871.10000116.2
895D26.9Very low29.5Very low147 Ų147160 Ų16079%0.78681%0.807SS**  cis-158.7162.9-17.9-95.4-29.9000109
896G27.3Very low29.2Very low73 Ų73159.6 Ų159.675%0.75381%0.813SS**  trans176.1106.7177.900000116.3
897D29.8Very low28.6Very low163 Ų163163.1 Ų163.187%0.87282%0.815SS**  trans28.2157.1149.9-86.5-43.7000126.4
898S28.6Very low28.3Very low105 Ų105158.4 Ų158.473%0.73480%0.796SS**  trans79.597155.3-60.10000120.9
899E29.2Very low28.1Very low175 Ų175165.7 Ų165.782%0.81880%0.798SS**  trans53.5146.6138.6-57-158.6132.900123.8
900W24.7Very low27.9Very low233 Ų233170.9 Ų170.988%0.88379%0.793SS**  trans76.7129.4170.7-71.790.4000120.2
901R26.4Very low27.9Very low243 Ų243167.1 Ų167.192%0.91779%0.785SS**  trans92.3143.6167-58-173174.4-128.5-3.2118.9
902R25.3Very low27.7Very low237 Ų237164.2 Ų164.289%0.89478%0.78SS**  trans-51.6172.6167.9-76.8-177.9-177.3-168.61.4114.4
903P39.3Very low27.6Very low104 Ų104155 Ų15568%0.67577%0.766SS**  cis-142.9172.9-23.736-16.8000116.2
904V35.6Very low27.6Very low122 Ų122156.5 Ų156.574%0.73977%0.767SS**  trans58.2150.3165.1-128.60000117.5
905P34.9Very low27.5Very low121 Ų121157.4 Ų157.479%0.78676%0.763SS**  -150.1169.991.540.5-23.5000116
906D28.6Very low27.5Very low143 Ų143157.2 Ų157.277%0.76576%0.762SS**  trans-76.9151.9160.6-59.9-73000111.8
907R26.4Very low27.5Very low217 Ų217160.6 Ų160.682%0.81976%0.763SS**  173.5136.7107-95.9-167.8106.8136.311.6116.4
908D25.9Very low27.5Very low97 Ų97162.6 Ų162.652%0.51976%0.758SS.*  trans48.2116.7132.6-75-28.3000122.8
909W23Very low27.3Very low238 Ų238165.5 Ų165.590%0.90276%0.76SS**  trans51.5140.7146-54.674.4000118.5
910R21.1Very low27Very low186 Ų186165.2 Ų165.270%0.70276%0.759SS**  -179.5173.560.6-153177.1-174.1-91.8-5.6110.9
911Q25.3Very low27Very low137 Ų137163.1 Ų163.164%0.6475%0.751SS**  trans73.2119.6165.3-64.4-164.9-93.100115.1
912E23.5Very low27Very low154 Ų154157.8 Ų157.872%0.7274%0.74SS**  71.6126.969-66.1160.6-162.700111.4
913G25.5Very low27.1Very low66 Ų66149.8 Ų149.868%0.6873%0.732SS**  cis158.9-154.70.100000111.3
914R25.7Very low26.9Very low211 Ų211151.1 Ų151.180%0.79674%0.74SS**  trans75.8123.9174.1-51.4-151.183.9169.42.4113.3
915E24Very low26.3Very low134 Ų134155.4 Ų155.463%0.62675%0.75SS**  67.3126.867-64.6163.1-167.100110.2
916D26.7Very low26Very low142 Ų142161 Ų16176%0.75976%0.755SS**  cis-147.6159.412-84.3-46.7000111.5
917N28.4Very low25.9Very low145 Ų145166.4 Ų166.478%0.77577%0.765SS**  168.1162.697.3-153.61.8000113.6
918R28.6Very low25.8Very low204 Ų204159 Ų15977%0.7776%0.755SS**  trans-39.7134.9-178.3-77.7168.5162.8148.8-5.5119.5
919E24.2Very low25.8Very low166 Ų166162.7 Ų162.778%0.77678%0.775SS**  37144.9103.2-57.1176.6125.600121.5
920E24.8Very low25.8Very low170 Ų170154.7 Ų154.779%0.79477%0.767SS**  trans70.7139.9157.4-75.5-158.7145.500119.3
921R24.2Very low26.5Very low189 Ų189151 Ų15171%0.71377%0.767SS**  cis-163.1151-13.7-148.5-176.3-176.1-11312.1110.2
922D25.8Very low26.5Very low130 Ų130155.7 Ų155.770%0.69578%0.779SS**  trans59.2162.9163.8-59-42.1000119.9
923G28.8Very low26.5Very low70 Ų70157.6 Ų157.672%0.72278%0.78SS**  trans-89-163.7-175.900000114.6
924P33.5Very low26.5Very low131 Ų131160.9 Ų160.985%0.85178%0.782SS**  -145.4-171.55340.8-21.5000115.8
925F23.8Very low26.4Very low213 Ų213154.5 Ų154.593%0.93478%0.781SS**  trans-87.2153.1170.9-106.5-92000113.4
926R28.9Very low26.4Very low239 Ų239156 Ų15690%0.90279%0.794SS**  trans-80.5145.1-164.4-58.6170170.6-173.3-4.7116.3
927R25.1Very low26.3Very low256 Ų256155.7 Ų155.797%0.96679%0.792SS**  -170.1148.7120.9-95.9178.9-166.5-141.65.5107.6
928G24.8Very low26.1Very low60 Ų60159.5 Ų159.562%0.61980%0.795SS**  cis-176160.7-6.200000110.7
929D25.3Very low25.8Very low175 Ų175153 Ų15394%0.93679%0.792SS**  trans62.4149.5170.7-64.7-76.2000119.7
930G24.7Very low26.6Very low71 Ų71150.6 Ų150.673%0.73279%0.791SS**  trans-121.3-127.6-175.900000111.5
931P35.6Very low26.5Very low109 Ų109153.2 Ų153.271%0.70879%0.793SS**  cis-140.8179.40.545.3-29.1000115.5
932R24Very low26.5Very low235 Ų235155.8 Ų155.889%0.88780%0.803SS**  trans67.9160156-72.1169.1-174.1-172.71.7117.1
933R24.3Very low26.3Very low194 Ų194153.4 Ų153.473%0.73281%0.809SS**  cis-176.3142-22.1167.8-179.1177.5-174.81.9109.2
934D24.6Very low26.1Very low135 Ų135159 Ų15972%0.72281%0.814SS**  trans56.7163.1167.9-55.3-16.6000117.3
935G23.6Very low26.1Very low76 Ų76158.7 Ų158.778%0.78481%0.805SS**  trans135112.2168.900000114.9
936D25.1Very low26.9Very low167 Ų167157.6 Ų157.689%0.89380%0.803SS**  trans-85.7169.3178.7-80.5-72.6000114.6
937D24.6Very low27.5Very low134 Ų134152.2 Ų152.272%0.71779%0.792SS**  trans84.7167.2146.9-125.8-36000120.5
938R24Very low28.1Very low225 Ų225150.4 Ų150.485%0.84979%0.785SS**  trans-70.1146.9-161-61.1143-178.1169.1-1.2113.3
939G22.6Very low28.7Very low68 Ų68151.1 Ų151.170%0.70179%0.793SS**  trans-67.8-170.6161.600000112.9
940P40.9Very low29.9Very low116 Ų116148.7 Ų148.775%0.75379%0.787SS**  cis-154.6176.748.942.7-22.6000118.7
941R23.5Very low30.6Very low224 Ų224157.4 Ų157.485%0.84580%0.798SS**  trans70.6141.7141.1-89.8176.8174.1-171.3-1.5122.4
942R22.5Very low30.8Very low243 Ų243163.4 Ų163.492%0.91781%0.806SS**  trans75.7131.6153.7-71.7174.4168.7-178.5-4.3119.2
943G22.6Very low31.3Very low80 Ų80155.7 Ų155.783%0.82580%0.8SS**  trans152.890.4148.800000117.2
944F23.9Very low31.7Very low187 Ų187149.5 Ų149.582%0.8280%0.797SS**  trans-13.4140158.7-98.6-130.3000121.7
945D33.3Very low32.1Very low125 Ų125150.6 Ų150.667%0.66880%0.802SS**  trans71.1131.8130.7-63.35.4000126.7
946E41.4Very low32.9Very low190 Ų190154.6 Ų154.689%0.88881%0.806SS**  trans77.9125145.4-68.3-169.4144.900127.2
947D40.5Very low33.4Very low126 Ų126152.5 Ų152.567%0.67479%0.791SS**  trans104.3107.4138.4-127.913.5000125.9
948R38.9Very low33.9Very low218 Ų218155.5 Ų155.582%0.82379%0.792SS**  trans75.399137.1-93.9169.5-177.7135.9-5.8129.7
949G37.6Very low34.7Very low76 Ų76150.2 Ų150.278%0.78479%0.787SS**  73.3172.9123.400000124.9
950P50.4Low35.9Very low123 Ų123152.9 Ų152.980%0.79979%0.792SS**  cis-149.4150.4-3339.3-18.6000121.8
951R39.7Very low35.3Very low255 Ų255159.8 Ų159.896%0.96280%0.803SS**  trans67.1178.1156.4-67178.1173.8-175.7-2.7121.7
952R39.1Very low35.5Very low234 Ų234161 Ų16188%0.88381%0.807SS**  cis-167.8167.3-49.3-165.1-157.8169.3-155.9-6.9107.5
953G35.1Very low35.5Very low74 Ų74153 Ų15376%0.76380%0.8SS**  cis-170.1-167.32.700000108.6
954G31.8Very low35.7Very low64 Ų64156 Ų15666%0.6680%0.802SS**  cis172.3178.81.800000108.6
955D32.8Very low35.7Very low158 Ų158153.6 Ų153.685%0.84580%0.798SS**  cis-166.4-179.6-13.2-62.7-47.2000110.5
956D41.5Very low35.3Very low159 Ų159156.4 Ų156.485%0.8581%0.808SS**  trans-155.4171.3-167-171.529.3000119.3
957E34.9Very low34.5Very low124 Ų124153.6 Ų153.658%0.57980%0.799SS**  trans156.5158.5161.9-86.3-76.388.700115.8
958R34Very low33.8Very low196 Ų196158.4 Ų158.474%0.7481%0.807SS**  cis-158.1-73-26.2-158.7176.1-118.7137.97.3123.5
959P42.4Very low33.2Very low115 Ų115151.3 Ų151.375%0.74780%0.802SS**  -112.6-133.4-12738.7-24.6000124.9
960P46.8Very low33Very low124 Ų124153.4 Ų153.481%0.80580%0.802SS**  -136.9177.4-121.743.7-22.9000123.1
961R29.4Very low31.7Very low261 Ų261158.9 Ų158.999%0.98581%0.806SS**  trans-157.7-174.1164.7-132.2-172.9-165.9-148.45.7116.1
962R25.9Very low30.9Very low248 Ų248158.9 Ų158.994%0.93681%0.806SS**  trans-91.2139.4-166.3-80.1-177.1171.8178.7-3.3119.1
963G23.9Very low30.2Very low75 Ų75150.9 Ų150.977%0.77380%0.796SS**  76.2143.9117.700000124.1
964V25.8Very low29.7Very low143 Ų143156.4 Ų156.487%0.86780%0.8SS**  trans176.9171148.7143.80000111.3
965D25.2Very low29.5Very low137 Ų137158.3 Ų158.373%0.73380%0.795SS**  trans-98.2171.1-149.5-45.5-88.4000120.4
966E24.4Very low29.2Very low185 Ų185155.1 Ų155.186%0.86478%0.775SS**  trans69.6119141.9-83.8-178.6175.300126.7
967D25.2Very low28.7Very low131 Ų131152.4 Ų152.470%0.70176%0.76SS**  96.8144.1129-149.222.9000123.6
968R25.5Very low28.3Very low227 Ų227153.6 Ų153.686%0.85776%0.759SS**  trans65.9117.8167.7-73.8169.1-175.6174.9-1.5122.7
969G26.7Very low28.3Very low69 Ų69147.2 Ų147.271%0.71176%0.755SS**  trans-92.4-169.9154.400000113.2
970P32.7Very low28Very low119 Ų119147.1 Ų147.177%0.77375%0.754SS**  -159.3146.974.639.6-18000121
971R22.9Very low27.1Very low238 Ų238151.4 Ų151.490%0.89876%0.755SS**  trans68.4146.9138.4-72.1-175.6168.4-161.8-3.7124.8
972R23.9Very low27Very low256 Ų256144.1 Ų144.197%0.96673%0.727SS**  trans77.5142.3166.9-64.7173.1169.6172.4-5.4116.2
973G23.4Very low27Very low65 Ų65135.4 Ų135.467%0.6771%0.708SS**  cis-165.4152.6-600000110.4
974F23.8Very low27.1Very low191 Ų191133.5 Ų133.584%0.83869%0.688SS**  51.614594.3-95.9-113.3000115.8
975D28.2Very low27.2Very low104 Ų104129.3 Ų129.356%0.55666%0.661SS**  cis-159.6-167.5-13.5-124.525.4000106R1092D975-R1092 IonicContact OD2-CZ 3.33Å; D975-R1092 IonicContact OD2-NH2 2.68Å; D975-R1092 PolarHBondContact OD2-NH2 3.46Å
976E27.4Very low27.3Very low91 Ų91128.2 Ų128.243%0.42565%0.651SS.*  cis-150146.18-153.4-158137.500110.1G1095E976-G1095 VanDerWaalsContact OE2-CA 3.25Å; E976-G1095 WeakPolarHBondContact OE2-CA 3.37Å
977D30.9Very low27.5Very low101 Ų101123.8 Ų123.854%0.5463%0.634SS.*  trans0.3158.3145.7-61.1-104.2000125R1092D977-R1092 VanDerWaalsContact CG-NH1 3.3Å; D977-R1092 IonicContact OD1-NH1 2.72Å; D977-R1092 PolarHBondContact OD1-NH1 3.16Å; D977-R1092 IonicContact OD2-CZ 3.86Å; D977-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D977-R1092 IonicContact OD2-NH1 2.81Å; D977-R1092 PolarHBondContact OD2-NH1 3.19Å; D977-R1092 IonicContact OD2-NH2 3.84Å; D977-R1092 PolarHBondContact OD2-NH2 3.22Å
978R26.7Very low27.5Very low149 Ų149126.2 Ų126.256%0.56263%0.633SS**  -178.7148108.1-102.3-178.7-178.4-169.91.2117.4G1095 W1096R978-G1095 PolarHBondContact NH2-O 3.38Å; R978-W1096 VanDerWaalsContact NH1-CE3 3.3Å
979G33Very low27.4Very low63 Ų63118.5 Ų118.565%0.64962%0.624SS**  trans-85.7-150.9158.400000112.2
980P37Very low27.8Very low113 Ų113120.9 Ų120.973%0.73463%0.627SS**  cis-158.3-163.540.443.2-19.8000117.9
981R27Very low27.4Very low214 Ų214126.1 Ų126.181%0.80863%0.632SS**  trans78.1146.3155.6-70.8176.2176177.7-2.7117.6
982R28.5Very low27.5Very low108 Ų108126.5 Ų126.541%0.40863%0.633SS.*  cis-159.2-1785.7-110.7170.7148.8-130.8-11.5112.5A599 E600A599-R982 PolarHBondContact O-NH1 3.24Å; E600-R982 VanDerWaalsContact CD-CG 3.43Å; E600-R982 HydrophobicContact CG-CB 3.83Å; E600-R982 HydrophobicContact CG-CG 3.73Å; E600-R982 VanDerWaalsContact CG-CZ 3.43Å; E600-R982 WeakPolarHBondContact OE1-CD 3.49Å; E600-R982 WeakPolarHBondContact OE1-CG 3.42Å; E600-R982 IonicContact OE1-CZ 2.78Å; E600-R982 IonicContact OE1-NE 3.19Å; E600-R982 PolarHBondContact OE1-NE 3.27Å; E600-R982 IonicContact OE1-NH1 2.79Å; E600-R982 IonicContact OE1-NH2 2.65Å; E600-R982 PolarHBondContact OE1-NH2 3.23Å
983A26Very low27.6Very low65 Ų65118 Ų11854%0.53763%0.626SS.*  trans-128.4-153.8-164.900000117.6R597 E600R597-A983 HydrophobicContact CG-CB 4.02Å; E600-A983 WeakPolarHBondContact CB-O 3.38Å; E600-A983 WeakPolarHBondContact OE2-CA 3Å; E600-A983 WeakPolarHBondContact OE2-CB 3.4Å; E600-A983 PolarHBondContact OE2-N 3.26Å
984G25.8Very low27.6Very low34 Ų34124.3 Ų124.335%0.35164%0.635SS.*  trans-178.6154.6-177.700000118.8R597R597-G984 WeakPolarHBondContact CD-O 3.47Å
985D27.9Very low27.7Very low55 Ų55121.8 Ų121.829%0.29463%0.63SS.*  trans-153.7-173.8-174.2-93.2-33.1000111L594 R597L594-D985 HydrophobicContact CD2-CB 3.98Å; R597-D985 HydrophobicContact CB-CB 3.78Å; R597-D985 WeakPolarHBondContact CD-OD2 3.37Å; R597-D985 IonicContact CZ-OD1 3.63Å; R597-D985 IonicContact CZ-OD2 2.89Å; R597-D985 IonicContact NE-OD2 3.38Å; R597-D985 PolarHBondContact NE-OD2 3.43Å; R597-D985 VanDerWaalsContact NE-OD2 3.1Å; R597-D985 IonicContact NH1-OD1 2.93Å; R597-D985 PolarHBondContact NH1-OD1 3.32Å; R597-D985 IonicContact NH1-OD2 2.99Å; R597-D985 PolarHBondContact NH1-OD2 2.95Å; R597-D985 IonicContact NH2-OD2 3.45Å
986E27.5Very low27.7Very low115 Ų115124.2 Ų124.254%0.53764%0.643SS.*  cis-103.2-166.49.1-101.7-154.9158.700113R988E986-R988 IonicContact OE1-CZ 3.3Å; E986-R988 IonicContact OE1-NH1 3.69Å; E986-R988 PolarHBondContact OE1-NH1 3.39Å; E986-R988 IonicContact OE1-NH2 3.73Å; E986-R988 PolarHBondContact OE1-NH2 2.95Å; E986-R988 IonicContact OE2-CZ 2.74Å; E986-R988 IonicContact OE2-NH1 3.9Å; E986-R988 IonicContact OE2-NH2 3.91Å
987D27.7Very low27.7Very low92 Ų92125.6 Ų125.649%0.49265%0.654SS.*  cis175.8172.4-40.2-174.822.9000109
988R25.8Very low27.5Very low181 Ų181131.1 Ų131.168%0.68367%0.667SS**  trans71.6131.7159.2-82.4157.5-142.3144.323.7122.4E986E986-R988 IonicContact OE1-CZ 3.3Å; E986-R988 IonicContact OE1-NH1 3.69Å; E986-R988 PolarHBondContact OE1-NH1 3.39Å; E986-R988 IonicContact OE1-NH2 3.73Å; E986-R988 PolarHBondContact OE1-NH2 2.95Å; E986-R988 IonicContact OE2-CZ 2.74Å; E986-R988 IonicContact OE2-NH1 3.9Å; E986-R988 IonicContact OE2-NH2 3.91Å
989G22.3Very low27.4Very low66 Ų66127.4 Ų127.468%0.6868%0.675SS**  trans-92.8-147.3151.800000111.7
990P35.6Very low27.4Very low119 Ų119130.3 Ų130.377%0.77368%0.682SS**  cis-145.1-17113.644.4-24.9000117.1
991R23.9Very low26.8Very low228 Ų228136 Ų13686%0.8669%0.689SS**  trans79.3114.9156.1-72-176.2176.5-163.10.6121.8
992R25.7Very low26.8Very low246 Ų246137.6 Ų137.693%0.92870%0.695SS**  trans52.4110.8132.2-68.5-173174.6-176.2-2.5120.4
993G26.4Very low26.6Very low79 Ų79135.7 Ų135.781%0.81471%0.709SS**  trans-155.2141.414500000108.5
994F23Very low26.4Very low197 Ų197141.5 Ų141.586%0.86472%0.722SS**  trans-116.6134.1175.1-125-98.9000107.4
995D26.1Very low26.6Very low138 Ų138147.5 Ų147.574%0.73875%0.747SS**  162162.8122.3-82-36.8000112.7
996D28.5Very low26.7Very low154 Ų154152.3 Ų152.382%0.82477%0.772SS**  trans55.896.5165.8-66.9-20.9000122.4
997D27.1Very low26.9Very low121 Ų121154.4 Ų154.465%0.64779%0.787SS**  37.9136.5115.9-144.418.8000122.3
998R26.6Very low27Very low217 Ų217162 Ų16282%0.81981%0.809SS**  trans60.5117.1162.3-63.6164.1-156.8-1571.2120.5
999G24.4Very low27.1Very low71 Ų71156.5 Ų156.573%0.73281%0.809SS**  trans-77.8176.6155.500000113.4
1000P33.5Very low28.1Very low124 Ų124159.2 Ų159.281%0.80581%0.814SS**  -152.1156.2100.739.5-23.1000118.3
1001R24.4Very low27.6Very low231 Ų231163.9 Ų163.987%0.87282%0.816SS**  trans19.2139.5146-65.4178.2163.4-174.6-5.4122.5
1002R25.3Very low27.7Very low248 Ų248164.3 Ų164.394%0.93682%0.818SS**  trans81156.1165.8-56.4167.6171.6171.7-5.3114.4
1003G24.6Very low27.6Very low68 Ų68156.1 Ų156.170%0.70181%0.81SS**  cis-94.6-164.8-14.800000112.3
1004F23.2Very low27.4Very low187 Ų187161.6 Ų161.682%0.8281%0.811SS**  cis57.7115.628.5-103.4-81000114.4
1005D28.4Very low27.7Very low161 Ų161157.9 Ų157.986%0.86180%0.8SS**  -164.5153.2115.2-90-28.2000111.3
1006D31.4Very low27.8Very low156 Ų156158 Ų15883%0.83480%0.801SS**  trans-97.8138.9172.4-93.1-58.8000109.9
1007D31.4Very low27.7Very low159 Ų159157.5 Ų157.585%0.8580%0.798SS**  trans-87.3117.1-176-136.2-29.5000112.1
1008R29.7Very low27.8Very low252 Ų252163.3 Ų163.395%0.95181%0.811SS**  trans-161.777.5164.6-119.5171.4-159.6-151.24.7118.6
1009G26.9Very low27.7Very low65 Ų65156 Ų15667%0.6780%0.804SS**  97167.9129.200000120.3
1010P44.5Very low28.7Very low122 Ų122158.6 Ų158.679%0.79281%0.807SS**  trans-138.9168.9-144.937-16.7000118.4
1011R23.7Very low28.3Very low218 Ų218164.7 Ų164.782%0.82382%0.815SS**  trans127.3145.4141.8-72178.1165.6-167.4-4.5118.6
1012R25.9Very low28.4Very low237 Ų237165.4 Ų165.489%0.89482%0.817SS**  trans85.1147.6150.4-78.8169.1172.3-176.5-4.6121.2
1013G25.1Very low28.4Very low73 Ų73156.7 Ų156.775%0.75380%0.804SS**  trans89.1108.1179.500000112
1014F22.5Very low28.3Very low194 Ų194162.9 Ų162.985%0.85181%0.812SS**  cis79.3128.827.9-105.1-109.4000115.9
1015D27.5Very low28.5Very low119 Ų119161.3 Ų161.364%0.63681%0.812SS**  trans73105.3162.3-50.7-21.4000123.1
1016D28.4Very low28.7Very low141 Ų141161 Ų16175%0.75481%0.811SS**  90.2134.3115.3-66.2-13.3000126.6
1017D27.7Very low28.6Very low143 Ų143160.4 Ų160.477%0.76581%0.808SS**  trans54.7109.2145.2-85-25000122.7
1018R27.7Very low28.3Very low243 Ų243164.6 Ų164.692%0.91781%0.811SS**  -173.4126.295.9-98167.7-170.9-174.83.8114.4
1019G25.4Very low28.2Very low64 Ų64155.7 Ų155.766%0.6680%0.798SS**  trans-104.6-159.9141.800000110
1020P44.9Very low29.4Very low125 Ų125158.2 Ų158.281%0.81280%0.803SS**  cis-129.3-178.6-19.441.3-27.5000112.3
1021R26.1Very low28.5Very low253 Ų253163 Ų16396%0.95581%0.805SS**  trans-156.4157.5149.6-111.4168.7-163-138.21.2111.1
1022R26.9Very low28.6Very low246 Ų246163.8 Ų163.893%0.92881%0.808SS**  trans-131.7147.6-171-75.2178.2168.4176.4-4.5112.1
1023G24.2Very low28.6Very low64 Ų64155.8 Ų155.866%0.6680%0.799SS**  trans97.1150.3133.600000118.6
1024F23Very low28.6Very low199 Ų199161.7 Ų161.787%0.87381%0.805SS**  trans67.8149.3171.8-65.4-88.5000115.6
1025D27.8Very low29Very low153 Ų153158.5 Ų158.582%0.81880%0.796SS**  cis-124.9170.610.4-89.9-59.1000114.2
1026D31.2Very low29.3Very low156 Ų156160.3 Ų160.383%0.83481%0.806SS**  trans-116.7-172.3-178.2-120.4-49.8000112
1027D29.9Very low29.5Very low143 Ų143159 Ų15977%0.76580%0.799SS**  trans66.4104.5159.8-88.3-41.7000120.8
1028R26.2Very low29.5Very low246 Ų246162.9 Ų162.993%0.92880%0.803SS**  -177.5125105.9-100.4175.9-175.5-175.13.4115
1029G27.3Very low29.4Very low65 Ų65154.7 Ų154.767%0.6779%0.794SS**  trans-112.1-154.514100000109.5
1030P52.1Low30.1Very low119 Ų119158.2 Ų158.277%0.77381%0.805SS**  cis-133.1176.1-20.241.1-27.6000112.8
1031R24.5Very low29.3Very low223 Ų223163.3 Ų163.384%0.84281%0.808SS**  trans175.9142.7134.9-99161.9-172.1-144.32.3115
1032R26.7Very low29.4Very low234 Ų234163.5 Ų163.588%0.88381%0.809SS**  trans11.1141.6141.9-51.6173.4-179.6-178.8-3.3117.8
1033G25.9Very low29.4Very low69 Ų69155.1 Ų155.171%0.71180%0.799SS**  cis127.5167.317.900000111
1034F24.6Very low29.4Very low197 Ų197160.6 Ų160.686%0.86481%0.805SS**  trans90.2134.1174.6-89.9-120.2000121.1
1035D30.8Very low29.7Very low126 Ų126156.9 Ų156.967%0.67479%0.794SS**  trans54.2108.1143.3-59.29.7000125.6
1036D34.5Very low29.6Very low158 Ų158156.4 Ų156.485%0.84579%0.792SS**  64.9149.7103.7-113.9-20.3000126.7
1037D32.4Very low29.5Very low114 Ų114155 Ų15561%0.6178%0.784SS**  trans68.9107.7146.2-154.727.6000123.4
1038R27.8Very low29.4Very low224 Ų224158.6 Ų158.685%0.84579%0.787SS**  173.6153111.2-91.2163.3-169.2-1671.8116
1039G25.5Very low29.4Very low70 Ų70150 Ų15072%0.72278%0.776SS**  trans-85.5-155.9-179.100000116
1040P39.3Very low29.9Very low138 Ų138153.2 Ų153.290%0.89679%0.785SS**  -143.9-176.858.440.8-22.5000117
1041R28.1Very low28.7Very low232 Ų232158.3 Ų158.388%0.87579%0.788SS**  trans-102.4149.2177.5-68.2179.1171.5-167.6-1.5114.3
1042R29.1Very low28.7Very low258 Ų258159.3 Ų159.397%0.97479%0.792SS**  -149.1142129.2-69.8-171.4175.1168.7-3.2105.6
1043G25.7Very low28.7Very low70 Ų70151.2 Ų151.272%0.72278%0.782SS**  cis111.2137.421.400000108.9
1044F25.6Very low28.5Very low178 Ų178155.5 Ų155.578%0.78179%0.788SS**  cis-168.1-176.7-2.3-141.6-76.3000107.8
1045D28.4Very low28.5Very low121 Ų121152 Ų15265%0.64778%0.778SS**  trans75.9105.7151.2-62.9-46.7000122.1
1046D27.1Very low28.3Very low144 Ų144152.1 Ų152.177%0.7778%0.779SS**  62.1119.7106.6-75.320000125.3
1047D27.2Very low27.8Very low126 Ų126149.3 Ų149.367%0.67477%0.771SS**  85.8154.9120.5-160.329.4000121.2
1048R27.8Very low27.7Very low218 Ų218156.2 Ų156.282%0.82379%0.789SS**  trans75.8116.6164-50.6-168.3-176.4175.11.9121
1049G27.1Very low27.6Very low67 Ų67148.8 Ų148.869%0.69178%0.782SS**  trans-79.6-161.2140.400000111.7
1050P38.4Very low27.8Very low132 Ų132150.9 Ų150.986%0.85779%0.785SS**  cis-147.8-172.344.742.2-22.1000116.3
1051R25.6Very low27.1Very low225 Ų225155.7 Ų155.785%0.84979%0.786SS**  trans-55.7150.4162-49.3160.3172.5173.4-6.6112.4
1052R26Very low27.1Very low244 Ų244156.9 Ų156.992%0.92179%0.79SS**  163.6162.2111.9-95.9178.6165.7164.5-4.7113.4
1053G25Very low26.9Very low65 Ų65148 Ų14867%0.6778%0.779SS**  trans106.2117.2171.900000112.4
1054L22.9Very low27.1Very low159 Ų159148.9 Ų148.983%0.83278%0.78SS**  cis63.213111.3-124.569.5000112.7
1055D24.8Very low27.1Very low124 Ų124147.2 Ų147.266%0.66378%0.779SS**  cis-151.4167.118.9-146.9-10000115.1
1056D25.9Very low27.1Very low128 Ų128149.2 Ų149.268%0.68479%0.79SS**  trans51.7112.8144.6-109.1-8.6000124.2
1057S24.3Very low27.3Very low98 Ų98148 Ų14869%0.68578%0.783SS**  53.2111.5113.8-62.60000122.3
1058R30Very low27.2Very low259 Ų259151.7 Ų151.798%0.97779%0.788SS**  -154138.8121.5-94.2159.7-162.3-161.24.3107.6
1059G25.1Very low27.4Very low68 Ų68142 Ų14270%0.70176%0.756SS**  cis163.9144.6-6.200000110.8
1060S29.6Very low27.8Very low114 Ų114139 Ų13980%0.79772%0.724SS**  trans68.9125.9-175.1-59.70000114.9
1061R24.6Very low27.3Very low239 Ų239137.5 Ų137.590%0.90270%0.701SS**  65.9128.654.3-62.4177.4171.6-176.5-3.2111.8
1062R28.7Very low27.5Very low257 Ų257134.7 Ų134.797%0.9769%0.69SS**  cis-122.2166.58.4-60.8171.3176.7164.8-3.7109.4
1063G25.4Very low27.7Very low73 Ų73127.1 Ų127.175%0.75367%0.669SS**  cis152.8148.32.800000108.4
1064A29.2Very low27.8Very low88 Ų88130.5 Ų130.573%0.72767%0.668SS**  trans-82.2-175174.400000110
1065D26.6Very low28Very low143 Ų143129.7 Ų129.777%0.76567%0.665SS**  -157.7158.965.1-69.7-41.2000114.1
1066D27.7Very low28.2Very low163 Ų163129.9 Ų129.987%0.87267%0.666SS**  trans71.1146.6146.4-67.8-20.3000125.6
1067D31.9Very low28.1Very low119 Ų119127.2 Ų127.264%0.63667%0.669SS**  trans-95.6118.7173.9167.524.6000110.1G1069D1067-G1069 PolarHBondContact OD1-N 3.39Å; D1067-G1069 VanDerWaalsContact OD1-N 3.12Å
1068W24.1Very low28.3Very low203 Ų203128 Ų12877%0.76967%0.672SS**  -122.2148.3123.4-60.796.3000106.5Q551Q551-W1068 HydrophobicContact CG-CB 3.88Å; Q551-W1068 HydrophobicContact CG-CD2 4.36Å; Q551-W1068 HydrophobicContact CG-CE3 3.65Å; Q551-W1068 HydrophobicContact CG-CZ3 4.48Å
1069G32.3Very low28.1Very low15 Ų15127.7 Ų127.716%0.15567%0.67CS.*  trans-66.6-127.3146.700000108.4D547 D1067D547-G1069 WeakPolarHBondContact CA-O 3.36Å; D547-G1069 VanDerWaalsContact CB-O 3.26Å; D547-G1069 WeakPolarHBondContact CB-O 3.48Å; D1067-G1069 PolarHBondContact OD1-N 3.39Å; D1067-G1069 VanDerWaalsContact OD1-N 3.12Å
1070P34.9Very low28.2Very low2 Ų2136.3 Ų136.31%0.01368%0.682CS.*  cis-96.9140-19.7-23.439.8000127.5R546 D547 E548 H549 N550 Q551 Q552R546-P1070 CarbonylContact C-O 3.52Å; R546-P1070 CarbonylContact O-C 2.78Å; R546-P1070 VanDerWaalsContact O-O 3.05Å; D547-P1070 CarbonylContact C-O 3.59Å; D547-P1070 VanDerWaalsContact C-O 3.25Å; D547-P1070 VanDerWaalsContact CA-O 3.25Å; D547-P1070 WeakPolarHBondContact CA-O 3.38Å; D547-P1070 PolarHBondContact N-O 3.33Å; D547-P1070 WeakPolarHBondContact O-CD 3.45Å; E548-P1070 VanDerWaalsContact N-CD 3.35Å; E548-P1070 PolarHBondContact N-O 3.27Å; E548-P1070 WeakPolarHBondContact O-CG 3.48Å; H549-P1070 WeakPolarHBondContact CA-O 3.44Å; H549-P1070 HydrophobicContact CB-CB 4.13Å; H549-P1070 WeakPolarHBondContact CB-O 3.49Å; N550-P1070 VanDerWaalsContact C-CB 3.49Å; N550-P1070 HydrophobicContact CB-CB 4.24Å; N550-P1070 PolarHBondContact N-O 3.03Å; Q551-P1070 HydrophobicContact CB-CB 4.45Å; Q551-P1070 HydrophobicContact CB-CG 3.88Å; Q551-P1070 HydrophobicContact CG-CB 4.35Å; Q551-P1070 HydrophobicContact CG-CG 3.37Å; Q552-P1070 HydrophobicContact CG-CG 4.36Å
1071R29.2Very low28Very low101 Ų101134.4 Ų134.438%0.38168%0.68SS.*  trans-95.2145.7156.872.876.2-122.8173.210.8124R546 H549 N550 D1073R546-R1071 HydrophobicContact CB-CB 4.38Å; R546-R1071 HydrophobicContact CG-CB 3.65Å; R546-R1071 HydrophobicContact CG-CG 4.46Å; R546-R1071 PolarHBondContact O-N 3.11Å; H549-R1071 CarbonylContact C-O 3.08Å; N550-R1071 VanDerWaalsContact CA-N 3.3Å; N550-R1071 WeakPolarHBondContact CA-O 3.21Å; N550-R1071 HydrophobicContact CB-CB 4.17Å; N550-R1071 HydrophobicContact CB-CG 3.82Å; N550-R1071 WeakPolarHBondContact CB-O 3.4Å; N550-R1071 VanDerWaalsContact N-CA 3.31Å; N550-R1071 PolarHBondContact N-O 3.23Å; N550-R1071 VanDerWaalsContact OD1-CZ 3.3Å; N550-R1071 PolarHBondContact OD1-NE 3.21Å; N550-R1071 PolarHBondContact OD1-NH2 3.39Å; R1071-D1073 IonicContact CZ-OD1 3.42Å; R1071-D1073 IonicContact CZ-OD2 3.83Å; R1071-D1073 IonicContact NH1-OD1 2.64Å; R1071-D1073 PolarHBondContact NH1-OD1 3.04Å; R1071-D1073 IonicContact NH1-OD2 3.48Å; R1071-D1073 PolarHBondContact NH1-OD2 3.45Å; R1071-D1073 IonicContact NH2-OD2 3.2Å
1072R29Very low28Very low166 Ų166132.6 Ų132.663%0.62668%0.682SS**  trans-147.3120.6166.7-116.3-171.4166.1177.1-4.7107.1H549H549-R1072 HydrophobicContact CB-CB 4Å; H549-R1072 WeakPolarHBondContact CD2-CB 2.9Å; H549-R1072 PolarHBondContact CD2-O 3.04Å
1073D30.2Very low27.8Very low86 Ų86128.3 Ų128.346%0.4668%0.679SS.*  76.1134.370.7-57.5-15.3000113R1071R1071-D1073 IonicContact CZ-OD1 3.42Å; R1071-D1073 IonicContact CZ-OD2 3.83Å; R1071-D1073 IonicContact NH1-OD1 2.64Å; R1071-D1073 PolarHBondContact NH1-OD1 3.04Å; R1071-D1073 IonicContact NH1-OD2 3.48Å; R1071-D1073 PolarHBondContact NH1-OD2 3.45Å; R1071-D1073 IonicContact NH2-OD2 3.2Å
1074M28.2Very low27.9Very low135 Ų135129.2 Ų129.267%0.66568%0.679SS**  cis-165.6179.5-12.5-121167.5165.300105.7
1075D25.6Very low27.8Very low142 Ų142134.4 Ų134.476%0.75969%0.685SS**  cis-129.1155.39.6-63.1-81.5000108.4
1076D30.6Very low27.9Very low128 Ų128133.6 Ų133.668%0.68469%0.688SS**  cis86.8143.428.5-149.5-2.8000115.4
1077G22.5Very low27.6Very low73 Ų73137.5 Ų137.575%0.75369%0.69SS**  trans146.883.8179.300000116.9
1078P29.8Very low27.2Very low114 Ų114141 Ų14174%0.7470%0.7SS**  trans-96.7151.5164.735.8-31.7000112.9
1079R24.8Very low27.3Very low252 Ų252137 Ų13795%0.95170%0.7SS**  trans-72.5140.4172-69.8175.8170.3179.3-5.3111.8
1080R26.6Very low26.9Very low249 Ų249144.9 Ų144.994%0.9474%0.738SS**  trans-144145143.6-149.8170.3-167.6-91.4-0.6110.7
1081G27.2Very low26.4Very low74 Ų74148.2 Ų148.276%0.76377%0.772SS**  trans-71.9165.7-161.100000116.6
1082E24.3Very low26.6Very low201 Ų201150.2 Ų150.294%0.93978%0.78SS**  trans-79.6138.1178.8-59165.512500111.2
1083D24.2Very low26.5Very low168 Ų168148.2 Ų148.290%0.89879%0.788SS**  trans-150.988.4166.3-153.3-11.3000108.6
1084A27.4Very low26.3Very low92 Ų92147 Ų14776%0.7680%0.795SS**  trans-151.1106.2-174.300000112.7
1085K26.1Very low26.3Very low196 Ų196141.9 Ų141.985%0.85278%0.778SS**PPolyproline II helixtrans-83.7123.6159.4-67.8177.8-178.7175.20109W1087K1085-W1087 PolarHBondContact O-N 3.4Å
1086P28.6Very low26.2Very low127 Ų127144.6 Ų144.683%0.82578%0.778SS**PPolyproline II helixtrans-69.7128.5168.7-16.531.1000110.6
1087W21.7Very low26Very low245 Ų245147.4 Ų147.493%0.92878%0.779SS**PPolyproline II helixtrans-91.7159164.2-109.157.8000110.7K1085K1085-W1087 PolarHBondContact O-N 3.4Å
1088K24.7Very low26.3Very low193 Ų193149.7 Ų149.784%0.83977%0.769SS**PPolyproline II helixtrans-76.3148.4-175.4-55.6176.1-178.3179.60112.4
1089P25.4Very low26.1Very low119 Ų119153.3 Ų153.377%0.77377%0.769SS**PPolyproline II helixtrans-85.5159.4153.835.5-32.3000112.1
1090L24.3Very low26Very low180 Ų180146.2 Ų146.294%0.94275%0.746SS**PPolyproline II helixtrans-83.9173.2160.8-47.896.8000108.6
1091G24.6Very low26Very low71 Ų71143.8 Ų143.873%0.73274%0.742SS**  cis174.4155.91.300000109.8
1092R33.3Very low26.1Very low144 Ų144144.2 Ų144.254%0.54374%0.739SS.*  trans-60157.6-173.9-104.8-178.9170.7-177.5-0115.3D975 D977D975-R1092 IonicContact OD2-CZ 3.33Å; D975-R1092 IonicContact OD2-NH2 2.68Å; D975-R1092 PolarHBondContact OD2-NH2 3.46Å; D977-R1092 VanDerWaalsContact CG-NH1 3.3Å; D977-R1092 IonicContact OD1-NH1 2.72Å; D977-R1092 PolarHBondContact OD1-NH1 3.16Å; D977-R1092 IonicContact OD2-CZ 3.86Å; D977-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D977-R1092 IonicContact OD2-NH1 2.81Å; D977-R1092 PolarHBondContact OD2-NH1 3.19Å; D977-R1092 IonicContact OD2-NH2 3.84Å; D977-R1092 PolarHBondContact OD2-NH2 3.22Å
1093P27.2Very low26.2Very low124 Ų124143.3 Ų143.381%0.80573%0.727SS**  -114.7168.291.6-5.426.1000112.5
1094G25.8Very low26.3Very low59 Ų59141.6 Ų141.661%0.60871%0.713SS**  cis98.9118.912.400000112.1
1095G26.7Very low26.3Very low29 Ų29145 Ų14530%0.29971%0.713SS.*  cis120.8120.85.700000112.2E976 R978E976-G1095 VanDerWaalsContact OE2-CA 3.25Å; E976-G1095 WeakPolarHBondContact OE2-CA 3.37Å; R978-G1095 PolarHBondContact NH2-O 3.38Å
1096W24.8Very low26.3Very low199 Ų199140.2 Ų140.275%0.75471%0.705SS**  trans-166.5143.4179.8-97.5109.8000118.9R978R978-W1096 VanDerWaalsContact NH1-CE3 3.3Å
1097R26.4Very low26.1Very low187 Ų187146.1 Ų146.171%0.70671%0.711SS**  trans74.6156.8160.8-69.1-174.7-179.9-100.817.7120.1
1098E27.9Very low26.2Very low120 Ų120137.7 Ų137.756%0.56170%0.7SS**  cis-174.1145.2-42.4-144-174.3141.200111.3
1099R25.6Very low26.8Very low191 Ų191134.7 Ų134.772%0.72170%0.7SS**  trans62.5160.3164.9-77.7167.4178.9-104.72.2117
1100E23.6Very low27.5Very low102 Ų102134.6 Ų134.648%0.47770%0.7SS.*  cis-146.4163.98.7-151.1137.9-121.800114.7R703R703-E1100 IonicContact CZ-OE2 2.95Å; R703-E1100 IonicContact NH1-OE2 4Å; R703-E1100 IonicContact NH2-OE2 3.91Å; R703-E1100 PolarHBondContact NH2-OE2 3.05Å
1101K27.1Very low27.6Very low198 Ų198137.5 Ų137.586%0.86170%0.698SS**  trans-88.7-179170.7-80.9-179.2175.2-176.30111
1102A28.5Very low27.6Very low83 Ų83137.9 Ų137.969%0.68670%0.703SS**  cis175.3162.8-31.800000108.4
1103R26.8Very low27.2Very low183 Ų183134.5 Ų134.569%0.69171%0.712SS**  trans161.1157.2164.2-95.2176.4-161.1-130.230.6107.6E692E692-R1103 IonicContact OE1-CZ 3.72Å; E692-R1103 IonicContact OE1-NH2 2.79Å; E692-R1103 PolarHBondContact OE1-NH2 3.04Å
1104E26Very low27Very low131 Ų131134.3 Ų134.361%0.61271%0.714SS**  cis-156143.6-0.1-134.2150.1-154.100113.9
1105E26.9Very low26.9Very low164 Ų164139.2 Ų139.277%0.76672%0.721SS**  trans14.8137.3145.6-55.5-178.7170.200126.8
1106S26.3Very low26.9Very low96 Ų96143.5 Ų143.567%0.67174%0.737SS**  trans75.5153.4135.271.20000120.3
1107W24.4Very low26.9Very low250 Ų250140 Ų14095%0.94773%0.733SS**  cis-134.1168.115.7-74.463.8000113.3
1108G24.1Very low26.9Very low69 Ų69139.2 Ų139.271%0.71174%0.737SS**  trans-102-148.217500000114.3
1109P37.8Very low26.9Very low129 Ų129141.5 Ų141.584%0.83875%0.748SS**  cis-121.8-125.76.940.1-17.8000110.7
1110P39.2Very low27.1Very low118 Ų118141.2 Ų141.277%0.76676%0.755SS**  cis-124.5-110.2-3.938.5-15.5000116.1
1111R27Very low27.4Very low240 Ų240139.2 Ų139.291%0.90676%0.761SS**  trans-156168-164.6-64.8164.3-179.5-133-2.5109.7
1112G24.2Very low27.6Very low80 Ų80137.8 Ų137.883%0.82576%0.763SS**  cis101.7131.7800000113.1
1113G24.4Very low27.8Very low73 Ų73137 Ų13775%0.75376%0.764SS**  cis179.5-149.91.800000111.1
1114S24.6Very low28Very low119 Ų119135.9 Ų135.983%0.83277%0.771SS**  trans112.3140.9163-58.90000120.7
1115H23.4Very low28.1Very low162 Ų162137 Ų13775%0.7578%0.776SS**  trans65107.8149.4-75.5-46.5000123.9
1116D25.1Very low28.1Very low120 Ų120136.1 Ų136.164%0.64277%0.772SS**  111.2134.7109.3-67.8-3.7000124.6
1117D25.2Very low28.1Very low126 Ų126136.1 Ų136.167%0.67477%0.772SS**  trans69.4122.4150.7-53.3-17.9000124.8
1118E26.4Very low28.3Very low170 Ų170129.6 Ų129.679%0.79477%0.765SS**  trans61.3143134.3-66.2173.7-17700121.1
1119E28.2Very low28.5Very low167 Ų167132.2 Ų132.278%0.7876%0.763SS**  cis-159.5-162-17.9-158.2161-13600109.7
1120E29.8Very low28Very low185 Ų185135.1 Ų135.186%0.86476%0.757SS**  trans-55.7173.1-172.1-66.7171.616800118.1
1121G31.1Very low27.3Very low60 Ų60136.8 Ų136.862%0.61975%0.752SS**  cis163.9156-300000113
1122D31.1Very low27.4Very low169 Ų169134 Ų13490%0.90474%0.742SS**  trans52.1161.2166.9-57.9-21.8000120.9
1123G31.9Very low27.6Very low67 Ų67134.4 Ų134.469%0.69173%0.725SS**  cis-178.7161.9-700000114.3
1124D30.1Very low27.7Very low158 Ų158141 Ų14185%0.84573%0.727SS**  trans54.3134.9154.5-68.9-11.3000127.2
1125E29.3Very low27.6Very low155 Ų155146.3 Ų146.372%0.72473%0.729SS**  trans52.3154.9135.8-59.7-146.1125.500123.3
1126Q27.3Very low28.3Very low145 Ų145143.2 Ų143.268%0.67872%0.723SS**  cis-161.5150.7-6.3-123.9-173.248.600112.9
1127S26Very low28.3Very low96 Ų96146.2 Ų146.267%0.67173%0.733SS**  trans64.2143.1135.9-149.40000126.2
1128S27.8Very low28.2Very low113 Ų113149.7 Ų149.779%0.7974%0.737SS**  trans84.4153.2143.797.30000119
1129D28.9Very low28.1Very low125 Ų125149.1 Ų149.167%0.66873%0.734SS**  cis-166.5177.5-3.3-170.121.9000113
1130R27.1Very low27.9Very low190 Ų190148.5 Ų148.572%0.71773%0.731SS**  trans85.1147.1156.8-55.4-163.6179.8174.93.2118.7
1131F24.6Very low27.5Very low152 Ų152147 Ų14767%0.66773%0.729SS**  cis-169.5172.30.6-118.6-168.2000109.2
1132R29.3Very low27.8Very low182 Ų182148.1 Ų148.169%0.68773%0.726SS**  cis-167.2179.2-9.7-146.5-176.3-174.5-98.56.5109.8
1133D27.7Very low27.3Very low88 Ų88149.6 Ų149.647%0.47172%0.719SS.*  trans67.8173.6156.9-88.4-130.4000117.9
1134R27.1Very low26.9Very low212 Ų212155.2 Ų155.280%0.872%0.719SS**  cis-132.1-131.34.9-166135.7-80.7-171-3.8113.6
1135R21.3Very low26.5Very low231 Ų231159.2 Ų159.287%0.87272%0.722SS**  trans-170.2171.6-161.3-100.2-170-179-156.20.9111.9
1136P38.5Very low26.2Very low96 Ų96155.3 Ų155.362%0.62372%0.723SS**  cis-142.7-179.6-21.939.2-19.8000116.9
1137Q24.8Very low26Very low183 Ų183150.4 Ų150.486%0.85571%0.712SS**  trans53.6129.9145.1-81174.6-61.200123.9
1138R24.2Very low25.9Very low199 Ų199148.8 Ų148.875%0.75170%0.696SS**  -168.9164.290.8-170.5164.2-178.2-84-12.5111.1E1140R1138-E1140 IonicContact CZ-OE1 3.26Å; R1138-E1140 IonicContact NH1-OE1 2.96Å; R1138-E1140 PolarHBondContact NH1-OE1 3.14Å; R1138-E1140 IonicContact NH2-OE1 3.77Å; R1138-E1140 PolarHBondContact NH2-OE1 3.14Å
1139E23.3Very low25.7Very low158 Ų158147 Ų14774%0.73868%0.675SS**  trans-94.2157.2-179.8-56.3153.212400112.8
1140E23.8Very low25.5Very low155 Ų155141.8 Ų141.872%0.72465%0.646SS**  178.7161.7124.7-95.3164-128.100111.9R1138R1138-E1140 IonicContact CZ-OE1 3.26Å; R1138-E1140 IonicContact NH1-OE1 2.96Å; R1138-E1140 PolarHBondContact NH1-OE1 3.14Å; R1138-E1140 IonicContact NH2-OE1 3.77Å; R1138-E1140 PolarHBondContact NH2-OE1 3.14Å
1141N22.5Very low25.5Very low153 Ų153133.5 Ų133.582%0.81862%0.62SS**  trans-127.5-168.1-179-141.5-2.5000106.1
1142P37.5Very low25.5Very low84 Ų84131 Ų13155%0.54562%0.621SS.*  cis-138.4-164.4-1621.96.5000114
1143W21.2Very low25.2Very low199 Ų199132.5 Ų132.575%0.75463%0.627SS**  trans91.4123.5147-66.7127.8000124.3
1144R22.7Very low25.1Very low186 Ų186137.7 Ų137.770%0.70264%0.64SS**  80135.6127.2-74.3178.1-172.7-96.6-3.6123.9
1145R22.1Very low25Very low242 Ų242132.6 Ų132.691%0.91363%0.629SS**  trans66.8147.6155.1-74.2-178.2168.7-173.1-3.5117.2
1146G22.4Very low25.2Very low72 Ų72126.2 Ų126.274%0.74262%0.62SS**  cis145.8127.1-15.900000114.7
1147G23.5Very low24.4Very low43 Ų43132.4 Ų132.444%0.44363%0.631SS.*  trans98.4158.6171.900000115.5
1148N22.9Very low24.4Very low62 Ų62132.9 Ų132.933%0.33263%0.625SS.*  cis-146.8-160.8-17.5-60.6-75.6000109.1I771 E774 K775I771-N1148 HydrophobicContact CB-CB 4.21Å; I771-N1148 HydrophobicContact CG1-CB 4.19Å; I771-N1148 HydrophobicContact CG2-CB 3.35Å; I771-N1148 WeakPolarHBondContact O-CB 3.3Å; E774-N1148 PolarHBondContact OE2-ND2 3.46Å; K775-N1148 WeakPolarHBondContact CD-O 3.26Å; K775-N1148 WeakPolarHBondContact CE-O 3.31Å; K775-N1148 PolarHBondContact NZ-O 3.12Å
1149E23.9Very low24.4Very low76 Ų76131.6 Ų131.636%0.35563%0.627SS.*  trans-139.5122.1171.6-5986.5-123.200115.1R768 Y772 K775R768-E1149 HydrophobicContact CG-CB 4.3Å; R768-E1149 WeakPolarHBondContact CG-O 3.47Å; R768-E1149 IonicContact CZ-OE2 2.65Å; R768-E1149 IonicContact NH2-OE2 2.7Å; R768-E1149 PolarHBondContact NH2-OE2 3.44Å; Y772-E1149 HydrophobicContact CD2-CB 3.49Å; Y772-E1149 VanDerWaalsContact CD2-CB 3.49Å; Y772-E1149 HydrophobicContact CD2-CG 3.68Å; Y772-E1149 HydrophobicContact CE2-CB 3.85Å; Y772-E1149 HydrophobicContact CE2-CG 3.94Å; Y772-E1149 HydrophobicContact CG-CB 4.24Å; K775-E1149 IonicContact NZ-OE1 3.72Å; K775-E1149 PolarHBondContact NZ-OE1 3.13Å
1150E25.9Very low24.8Very low14 Ų14132.6 Ų132.67%0.06563%0.632CS.*  trans-174.1155.8177.5-47.6-147.884.700114.1A766 A767 R768 S769 F770 I771 Y772 E773A766-E1150 VanDerWaalsContact C-OE1 3.31Å; A766-E1150 VanDerWaalsContact O-OE1 3.1Å; A767-E1150 WeakPolarHBondContact CA-OE1 3.44Å; A767-E1150 PolarHBondContact N-OE1 3.14Å; R768-E1150 VanDerWaalsContact C-CA 3.43Å; R768-E1150 VanDerWaalsContact C-OE1 3.28Å; R768-E1150 VanDerWaalsContact CA-CB 3.48Å; R768-E1150 WeakPolarHBondContact CA-OE1 3.44Å; R768-E1150 HydrophobicContact CB-CB 4.4Å; R768-E1150 PolarHBondContact N-OE1 3.12Å; R768-E1150 CarbonylContact O-C 3.37Å; R768-E1150 WeakPolarHBondContact O-CA 3.34Å; S769-E1150 VanDerWaalsContact C-CB 3.43Å; S769-E1150 VanDerWaalsContact N-CB 3.35Å; S769-E1150 VanDerWaalsContact N-CD 3.29Å; S769-E1150 PolarHBondContact N-OE1 3.33Å; F770-E1150 WeakPolarHBondContact CA-OE2 3.46Å; F770-E1150 WeakPolarHBondContact CB-OE2 3.49Å; F770-E1150 PolarHBondContact N-OE1 3.46Å; F770-E1150 PolarHBondContact N-OE2 2.74Å; I771-E1150 HydrophobicContact CB-CG 4.03Å; I771-E1150 WeakPolarHBondContact CB-OE2 3.3Å; I771-E1150 HydrophobicContact CG2-CG 3.51Å; I771-E1150 VanDerWaalsContact CG2-OE2 3.3Å; I771-E1150 WeakPolarHBondContact CG2-OE2 3.33Å; I771-E1150 PolarHBondContact N-OE2 3.44Å; Y772-E1150 CarbonylContact C-O 3.57Å; Y772-E1150 WeakPolarHBondContact CA-O 3.35Å; Y772-E1150 VanDerWaalsContact CB-N 3.34Å; Y772-E1150 WeakPolarHBondContact CD1-O 3.49Å; Y772-E1150 VanDerWaalsContact N-CB 3.25Å; Y772-E1150 PolarHBondContact N-O 3.47Å; E773-E1150 PolarHBondContact N-O 3.33Å
1151G25.3Very low24.9Very low16 Ų16131.9 Ų131.917%0.16564%0.638CS.*  trans12349.6149.800000126.3R768 S769R768-G1151 PolarHBondContact O-N 3.25Å; S769-G1151 WeakPolarHBondContact O-CA 3.31Å
1152S25.5Very low25.5Very low99 Ų99132.1 Ų132.169%0.69264%0.639SS**  trans35.9108.5136.8-170.50000126.3
1153W23.8Very low24.9Very low215 Ų215138.9 Ų138.981%0.81465%0.654SS**  53.3127.8129.2-6492.7000125.6
1154R24.2Very low25.1Very low196 Ų196136 Ų13674%0.7465%0.653SS**  trans44.4147.1134-82.5-173.4-174.7-109.16.2121.8
1155D26Very low25.3Very low105 Ų105132.6 Ų132.656%0.56165%0.649SS**  cis-151.6163.47.2-141-40.1000114.1
1156S24.8Very low25.5Very low97 Ų97130 Ų13068%0.67864%0.639SS**  trans-25.5141.9168.8-47.70000119.5
1157R23Very low25.6Very low227 Ų227137.2 Ų137.286%0.85764%0.644SS**  168.7155.6119.7-94.8-177.2-179.9-155.50.5110.7
1158R23.5Very low25.7Very low193 Ų193139.6 Ų139.673%0.72865%0.654SS**  cis-165.8172.7-16.3-166.1-174.9-177.5-151.50.9106.8
1159E23.9Very low25.9Very low171 Ų171142.9 Ų142.980%0.79967%0.672SS**  trans140.1128.8131.4-84152.7-154.600115.2
1160E31.4Very low26Very low180 Ų180149.3 Ų149.384%0.84169%0.693SS**  trans-128.2124.7163-76.1-172.812500107.9
1161T27.3Very low26Very low140 Ų140155.7 Ų155.786%0.85973%0.727SS**  trans65.6142.9164.160.10000119.5
1162D34.8Very low26.1Very low157 Ų157159.4 Ų159.484%0.8474%0.743SS**  trans-81.2140.2-170.3-42.1-100.1000113.8
1163R24.3Very low26.3Very low227 Ų227165.7 Ų165.786%0.85775%0.752SS**  trans178.5133.1130.7-102170.5176164.81.6115.2
1164D26.2Very low26.5Very low137 Ų137164.8 Ų164.873%0.73375%0.748SS**  trans32.5107.3135.4-55.5-38.7000121.6
1165D26.3Very low26.6Very low116 Ų116159.6 Ų159.662%0.6274%0.742SS**  62.1113.3120.5-110.4-11.2000122.8
1166R25.8Very low26.7Very low186 Ų186160.8 Ų160.870%0.70275%0.749SS**  trans81.6117136.9-71.4163.4-152-171.821122.7
1167R24.7Very low26.7Very low224 Ų224166.4 Ų166.485%0.84576%0.755SS**  trans73.7145.8133.5-66.5176.5-176.6-167.4-0.5116.8
1168S26.6Very low27Very low93 Ų93162.1 Ų162.165%0.6575%0.749SS**  cis-167.7156.7-6.242.10000112
1169D26.7Very low27.2Very low132 Ų132158.3 Ų158.371%0.70674%0.743SS**  trans71.5143.4145.9-69.914.1000123.4
1170R26.5Very low27.4Very low211 Ų211159.7 Ų159.780%0.79674%0.741SS**  trans73.2117.4153.8-70.3162.6-176-176.40.7119.2
1171D25.6Very low27.2Very low148 Ų148162.6 Ų162.679%0.79174%0.744SS**  73.3139.658.8-64.9-45.9000116.2
1172D27.3Very low27.1Very low94 Ų94159.1 Ų159.150%0.50374%0.737SS.*  trans67.1110.2148.8-118.4-21.6000119.9R1174D1172-R1174 WeakPolarHBondContact OD1-CD 3.41Å; D1172-R1174 WeakPolarHBondContact OD1-CG 3.27Å; D1172-R1174 IonicContact OD1-CZ 3.72Å; D1172-R1174 IonicContact OD1-NE 2.99Å; D1172-R1174 PolarHBondContact OD1-NE 3.33Å; D1172-R1174 IonicContact OD1-NH2 2.67Å; D1172-R1174 IonicContact OD2-CZ 3Å; D1172-R1174 IonicContact OD2-NE 3.58Å; D1172-R1174 PolarHBondContact OD2-NE 3.45Å; D1172-R1174 IonicContact OD2-NH2 2.74Å; D1172-R1174 PolarHBondContact OD2-NH2 3.38Å
1173R29.9Very low26.8Very low230 Ų230158 Ų15887%0.86873%0.731SS**  -172.4137.4108.4-88.8141.7-154.9-127.10.6109.7
1174R27.5Very low26.9Very low196 Ų196156.5 Ų156.574%0.7473%0.725SS**  cis71.1138.144.3-63.5-173.2-160.2-138.311112.9D1172D1172-R1174 WeakPolarHBondContact OD1-CD 3.41Å; D1172-R1174 WeakPolarHBondContact OD1-CG 3.27Å; D1172-R1174 IonicContact OD1-CZ 3.72Å; D1172-R1174 IonicContact OD1-NE 2.99Å; D1172-R1174 PolarHBondContact OD1-NE 3.33Å; D1172-R1174 IonicContact OD1-NH2 2.67Å; D1172-R1174 IonicContact OD2-CZ 3Å; D1172-R1174 IonicContact OD2-NE 3.58Å; D1172-R1174 PolarHBondContact OD2-NE 3.45Å; D1172-R1174 IonicContact OD2-NH2 2.74Å; D1172-R1174 PolarHBondContact OD2-NH2 3.38Å
1175S26.9Very low27Very low88 Ų88155.7 Ų155.762%0.61572%0.721SS**  cis-159.6-174.8040.50000110.5
1176D27.1Very low26.9Very low130 Ų130155.9 Ų155.970%0.69572%0.722SS**  trans78.8143.1159.5-54.5-60.5000116.9
1177R26.1Very low26.8Very low215 Ų215156.1 Ų156.181%0.81172%0.722SS**  cis-155.2173.68.4-134.2170.3-164.4174.95.7114.2
1178D28.4Very low26.7Very low137 Ų137156.8 Ų156.873%0.73373%0.725SS**  trans-42.5170175.4-37.6-49.4000116.8
1179D28.7Very low26.5Very low113 Ų113155.7 Ų155.760%0.60473%0.729SS**  cis-165.3174.623.8-157-9.6000113.4
1180R26.5Very low26.4Very low199 Ų199155.4 Ų155.475%0.75173%0.727SS**  trans79.498152.2-77.3155-141.3-141.9-1.5124.2
1181R27.7Very low26.3Very low241 Ų241154.1 Ų154.191%0.90972%0.722SS**  49.1121111.1-63.8179.7-177.8-148.30122
1182G25.2Very low26.3Very low68 Ų68156.1 Ų156.170%0.70172%0.719SS**  113.5126.297.500000120.6
1183D27.9Very low26.3Very low133 Ų133156.5 Ų156.571%0.71172%0.721SS**  trans61.1151.6151.6-69.914.5000119.3
1184R27.2Very low26.1Very low195 Ų195155 Ų15574%0.73672%0.715SS**  cis-165.4166.6-6.4-117.8177.8-148.8-1327.3113.6
1185D28.2Very low26.1Very low121 Ų121150.7 Ų150.765%0.64771%0.707SS**  trans29.2117.6140.2-52.2-20.1000122.9
1186D25.2Very low26Very low120 Ų120155.7 Ų155.764%0.64271%0.712SS**  41.6134.6104.7-141.215.1000122.2
1187R23.6Very low25.9Very low190 Ų190158.8 Ų158.872%0.71771%0.714SS**  trans66.8133.8154.5-71.2167.9-147.7-157.87.4123
1188R22.6Very low25.8Very low238 Ų238154.1 Ų154.190%0.89871%0.705SS**  trans60140.8144-60.6171-178.4-155.9-0.7116.7
1189G21.6Very low25.7Very low71 Ų71152.9 Ų152.973%0.73270%0.699SS**  cis122.9150.810.200000111.6
1190D24.8Very low25.6Very low125 Ų125156.5 Ų156.567%0.66870%0.704SS**  trans83.6149.1171.6-162.820.2000118.2
1191R25Very low25.6Very low185 Ų185154.4 Ų154.470%0.69870%0.702SS**  trans79.6146.7162.9-46.7-166.6-179.2162.612.4120.3
1192R25.6Very low25.5Very low189 Ų189149.8 Ų149.871%0.71369%0.691SS**  cis-173.9164.1-16.8-106.3175-167.2-165.32108.3
1193D26.7Very low25.5Very low102 Ų102157.5 Ų157.555%0.54570%0.699SS.*  cis-108.2-101.7-14.7-51.4-81.1000109.4
1194R25.6Very low26Very low200 Ų200156.6 Ų156.676%0.75570%0.701SS**  cis-157.7175.6-18.6-149.4161.7-83.7-161.3-3.1110.5
1195D26.8Very low27.3Very low105 Ų105152.5 Ų152.556%0.56170%0.699SS**  trans14.2133155.1-71.6-23.1000120.5
1196R25.4Very low28Very low192 Ų192151.9 Ų151.973%0.72570%0.702SS**  cis-164.9141.94.2-128.1169.9-121.3178.411.2113.1
1197R25Very low28.4Very low196 Ų196156.2 Ų156.274%0.7471%0.709SS**  trans51.2131.3134.7-79.7-179.2174.7-93.65.1123.4
1198D25.2Very low28.7Very low116 Ų116151.9 Ų151.962%0.6270%0.7SS**  63.7152.3128.7-40.5-18.6000118.6
1199D25.7Very low29Very low112 Ų112146.4 Ų146.460%0.59969%0.693SS**  cis-156.8165.91.6-146.9-20.9000111.2
1200R26.3Very low29.3Very low188 Ų188149.7 Ų149.771%0.70969%0.694SS**  trans56.7134.8153.2-78.6152.4-142.1-1190.5121
1201E26.4Very low29.3Very low155 Ų155152.8 Ų152.872%0.72470%0.704SS**  65.5147.376.4-65.2-178.6-152.300114.8
1202H26.2Very low29.5Very low145 Ų145147.8 Ų147.867%0.67171%0.71SS**  cis-157.113711.5-139.899.1000112.5
1203R24.5Very low29.6Very low229 Ų229144.3 Ų144.386%0.86472%0.715SS**  trans43.5168.1156.2-78.7-161157.9-161.9-4.2124.9
1204P38.5Very low29.7Very low115 Ų115144.2 Ų144.275%0.74772%0.723SS**  trans-124.7-122-161.427.8-0.3000117
1205P55Low29.7Very low109 Ų109145.1 Ų145.171%0.70873%0.726SS**  -120.4-170.6-116.146.3-29.1000113.7
1206P43.3Very low29.7Very low107 Ų107149.5 Ų149.570%0.69574%0.735SS**  -157.7171.875.443.2-22.8000118.7
1207R32.4Very low29.7Very low212 Ų212150.7 Ų150.780%0.874%0.739SS**  trans62.3168142.4-82.5174.8161.6-118.93.4119.8
1208D30.9Very low29.8Very low99 Ų99144.4 Ų144.453%0.52974%0.735SS.*  cis-159.7165.5-3-116.8-24.2000110.7
1209T28.7Very low30Very low122 Ų122141.8 Ų141.875%0.74874%0.736SS**  trans59165.9151.651.50000121.6
1210D26.8Very low30Very low141 Ų141143.8 Ų143.875%0.75475%0.747SS**  cis-164174.8-47-135.1-43.9000110.6
1211E26.6Very low30Very low189 Ų189140 Ų14088%0.88374%0.741SS**  trans42.1145.1160.1-61.5-162145.400123.8
1212G28.8Very low30.1Very low80 Ų80140.2 Ų140.283%0.82574%0.739SS**  trans169.1113165.200000114.7
1213S27.3Very low30.2Very low117 Ų117142.2 Ų142.282%0.81874%0.741SS**  trans-113.5166.6-170.4-80.70000115.7
1214S28.3Very low30.4Very low100 Ų100137.6 Ų137.670%0.69973%0.729SS**  trans77.6154.6158.580.40000117.6
1215W25.3Very low29.8Very low219 Ų219138.1 Ų138.183%0.8372%0.721SS**  cis-125.6157.8-0.8-79.280.1000109.2
1216R26.5Very low28.4Very low196 Ų196143.4 Ų143.474%0.7473%0.727SS**  31142.286.6-71.7178179.9-125.30.2114.3
1217R26.1Very low27.5Very low218 Ų218143.8 Ų143.882%0.82372%0.72SS**  cis-154.2170.16.8-123.5-179.1168175-8.9106
1218G28Very low27.2Very low63 Ų63141.9 Ų141.965%0.64971%0.713SS**  cis99.575.71200000112.5
1219G28.1Very low27Very low62 Ų62142.3 Ų142.364%0.63971%0.711SS**  trans-158.7133.4160.200000106.3
1220D26.5Very low27Very low154 Ų154146.6 Ų146.682%0.82471%0.714SS**  cis62.6123.647.1-55.2-37.5000110.1
1221D26.6Very low27.2Very low109 Ų109145.4 Ų145.458%0.58371%0.714SS**  cis-161.4-174.98.9-150.5-15.3000112.1
1222K28.3Very low27.2Very low159 Ų159144.4 Ų144.469%0.69170%0.702SS**  trans18.4141.2136.4-80.9167.4-155.373.60118.3
1223R28.6Very low27Very low186 Ų186146.8 Ų146.870%0.70269%0.691SS**  cis163.5-164.523.7170-162.6174.5-135.8-0.2105.5
1224E27.1Very low26.8Very low133 Ų133150.7 Ų150.762%0.62169%0.688SS**  trans80.9142.5154.5-55.2176.6-170.500115.2
1225E27.2Very low26.6Very low125 Ų125151.9 Ų151.958%0.58468%0.683SS**  cis-158.5151.3-10.7-126176-159.700112.2
1226R25.1Very low26.5Very low220 Ų220150.8 Ų150.883%0.8368%0.679SS**  163.2126.6119.3-83.3-171.5177.4-171-2.8109.6
1227E24.6Very low26.4Very low116 Ų116147.3 Ų147.354%0.54267%0.671SS.*  64.8119.563.8-71.3-137.6129.900110.8
1228R27Very low26.3Very low172 Ų172144.2 Ų144.265%0.64966%0.659SS**  cis-162.1-178.721.8-86.2143.9-177.6-81.1-7.5108.9
1229E26.2Very low26.1Very low108 Ų108147.3 Ų147.351%0.50566%0.656SS.*  cis-156.5138.3-24.1-106.1168.7124.300103.4R1232E1229-R1232 IonicContact OE1-NH2 3.29Å
1230R28.6Very low25.9Very low212 Ų212153 Ų15380%0.866%0.659SS**  44.212980.3-75.6-170.7177.6-122.2-0.8115.4
1231P31.1Very low25.9Very low116 Ų116152 Ų15275%0.75365%0.653SS**  -93.8164.5101.4-25.538.6000112.6
1232R25.2Very low26Very low168 Ų168150.9 Ų150.963%0.63466%0.659SS**  cis74.6141.218.8-55.6-149-163.1-174.27.5113.5E1229E1229-R1232 IonicContact OE1-NH2 3.29Å
1233E25.3Very low25.9Very low129 Ų129152.6 Ų152.660%0.60367%0.67SS**  cis-144.6161.48.7-121.5152.4-156.300109.8
1234R24Very low25.8Very low200 Ų200147.2 Ų147.276%0.75567%0.673SS**  45.8145.5100.3-64.1-176.5-179.2-143.716.9115.7
1235E24Very low25.9Very low125 Ų125147.8 Ų147.858%0.58468%0.675SS**  cis-153.9-165.76.1-129.8170.1-129.300112.8
1236R23.5Very low25.9Very low196 Ų196149.2 Ų149.274%0.7468%0.68SS**  trans-32165.6166.7-69.8168.5-170.7168.94.7118.2
1237E22.4Very low25.9Very low123 Ų123142.9 Ų142.958%0.57567%0.674SS**  cis-164.516011.7-126.2171.9115.300112.1
1238R23.9Very low26.1Very low152 Ų152147.1 Ų147.157%0.57469%0.685SS**  trans55.9134.5148.5-71-174.5-146.5-166.210.4124.4E69E69-R1238 IonicContact OE1-NH2 2.73Å
1239E24.3Very low26.1Very low128 Ų128147.7 Ų147.760%0.59869%0.687SS**  trans65.6149140-63.3179.4100.400117
1240R25.4Very low26Very low182 Ų182148.1 Ų148.169%0.68770%0.697SS**  cis-160.3-179.4-7.9-123.1-165.7-119.5-166.30.6111
1241D25.8Very low25.9Very low133 Ų133143.8 Ų143.871%0.71169%0.69SS**  trans11.6145.1151.3-34.5-25.9000118.9
1242A27.6Very low25.6Very low86 Ų86145.3 Ų145.371%0.71169%0.685SS**  cis161.3140.6-9.600000106.9
1243E26.4Very low25.7Very low194 Ų194145 Ų14591%0.90769%0.69SS**  trans43.7122.3155.5-61.4171.6-172.200120.7
1244G28.1Very low25.5Very low74 Ų74145.8 Ų145.876%0.76370%0.699SS**  trans-132.1-38.6-169.200000121.8
1245E28Very low26.3Very low144 Ų144140.9 Ų140.967%0.67369%0.693SS**  trans49.8137.5166.9-78.7-154.9121.600124.7
1246K26.3Very low26.4Very low156 Ų156145.9 Ų145.968%0.67871%0.707SS**  trans89.9121.9130.9-83.6169.2177.3139.10124.4
1247A26.1Very low26.4Very low86 Ų86146.9 Ų146.971%0.71171%0.71SS**  trans70.7171135.200000116.3
1248W27.8Very low26.5Very low205 Ų205146.3 Ų146.378%0.77772%0.716SS**  cis-141.4-179.420.1-63.368.1000109.6
1249R27Very low26.6Very low185 Ų185147.4 Ų147.470%0.69872%0.724SS**  cis-152.8-171.212.6-136.3152.8-136.7-157.92.2107.1
1250T25.4Very low26.6Very low117 Ų117146.2 Ų146.272%0.71872%0.722SS**  cis-166.5156.815.11.20000104.5
1251D25.3Very low26.6Very low121 Ų121144.6 Ų144.665%0.64772%0.722SS**  cis-166.3175.5-4.8-164.38.8000108.4
1252K26.7Very low26.6Very low147 Ų147143.7 Ų143.764%0.63972%0.722SS**  trans67.4143.4152.2-77.6156.6178.6-74.50120.4
1253E25.9Very low26.7Very low161 Ų161145.9 Ų145.975%0.75272%0.722SS**  cis-150.4167.2-6.9-141.4153.8-137.600112
1254N22.3Very low26.6Very low146 Ų146143.6 Ų143.678%0.78172%0.716SS**  trans-74.1175.3-179.5-116.9-43.4000111.9
1255P39.8Very low26.6Very low98 Ų98147.9 Ų147.964%0.63672%0.721SS**  cis-153.8154.632.940.1-17000121.4
1256R25.8Very low26.7Very low230 Ų230143.7 Ų143.787%0.86872%0.717SS**  trans65.8163.3145.7-64.1164.8179.8171.8-1.4117
1257R24.8Very low26.7Very low216 Ų216148.2 Ų148.282%0.81573%0.73SS**  cis-161.913413.7-143.7-171179.8175-2.2112.3
1258T24.7Very low26.9Very low112 Ų112149.1 Ų149.169%0.68773%0.727SS**  trans45.1133140.657.10000125.3
1259K25.1Very low27Very low174 Ų174145.5 Ų145.576%0.75773%0.727SS**  99.8122.5123.7-93.5-159.1166-1520123
1260N24Very low27.1Very low104 Ų104143 Ų14356%0.55673%0.732SS**  76.6155.6126.3-80.333.1000124.4
1261E24.9Very low27.1Very low147 Ų147148.5 Ų148.569%0.68774%0.74SS**  trans72.5112154.1-75.6135-126.700116.2
1262T26.4Very low27.4Very low114 Ų114157.2 Ų157.270%0.69976%0.763SS**  73.6145.868.861.80000113.6
1263D29Very low27.4Very low132 Ų132157.7 Ų157.771%0.70677%0.77SS**  cis-146.6179.20.4-98.8-29.5000110.5
1264D25.6Very low27.5Very low147 Ų147157.5 Ų157.579%0.78677%0.771SS**  trans16.5131.1148.9-60.8-29.7000121
1265D28.4Very low27.8Very low163 Ų163158.2 Ų158.287%0.87277%0.77SS**  -167.8154.795-132.8-31.1000112.6
1266G28.7Very low27.1Very low56 Ų56161.7 Ų161.758%0.57778%0.778SS**  trans-95.2167.9-179.200000114.7
1267W27Very low27.1Very low252 Ų252157.4 Ų157.496%0.95577%0.772SS**  168.8161.3121.5-98.581.1000112.3
1268T31.2Very low27.3Very low105 Ų105153.5 Ų153.564%0.64477%0.769SS**  trans-78.6148.9-169.757.70000115.1
1269T28.7Very low27.5Very low129 Ų129156.5 Ų156.579%0.79178%0.775SS**  179.3118.5115.426.70000116.8
1270V30.3Very low27.7Very low132 Ų132155.2 Ų155.280%0.878%0.777SS**  trans21.797.6133.3-169.60000119.9
1271R24.5Very low28Very low233 Ų233159.4 Ų159.488%0.87980%0.795SS**  trans171.7150.6130.7-98.2160.1-177.5174.52.3110.6
1272R31Very low28.3Very low303 Ų303160.5 Ų160.5100%1.14381%0.805SS**  cis-143.509.7-165.6-179-163.7169.65111.4

Retrieved 1,272 of 1,272 residues in 1245.9 ms (Link to these results)