A0A3Q0KH17_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)-interacting protein

AlphaFold DB , UniProt , Accession A0A3Q0KH17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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
1M55.1Low77.8Confident188 Ų18882.4 Ų82.493%0.92641%0.411SS*.  0-43.50-84.6-71-139.200111.7D3 K4 K5M1-D3 PolarHBondContact O-N 3.08Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-K5 PolarHBondContact O-N 3.29Å
2A61.8Low78.6Confident71 Ų7175.8 Ų75.859%0.58738%0.38SS*.Hα-helixtrans-52.2-4817900000113.5K4 K5 E6A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.28Å; A2-K5 PolarHBondContact O-N 3.2Å; A2-K5 VanDerWaalsContact O-N 3.13Å; A2-E6 PolarHBondContact O-N 2.85Å; A2-E6 VanDerWaalsContact O-N 3.15Å
3D69.6Low79.1Confident131 Ų13177.9 Ų77.970%0.70138%0.38SS*.Hα-helixtrans-60.9-36.4-178.4-51.6-16.6000113.7M1 E6 I7M1-D3 PolarHBondContact O-N 3.08Å; D3-E6 PolarHBondContact O-N 3.39Å; D3-I7 PolarHBondContact O-N 2.86Å
4K80.2Confident79.7Confident127 Ų12775.9 Ų75.955%0.55237%0.369SS*.Hα-helixtrans-70.2-40.3178.2-68.3-171.1177.9-175.30111.3M1 A2 E6 I7 Y8M1-K4 PolarHBondContact O-N 3.01Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.28Å; K4-E6 PolarHBondContact O-N 3.09Å; K4-I7 PolarHBondContact O-N 3.28Å; K4-Y8 HydrophobicContact CB-CE2 3.87Å; K4-Y8 WeakPolarHBondContact O-CD2 3.38Å; K4-Y8 WeakPolarHBondContact O-CE2 3.42Å; K4-Y8 VanDerWaalsContact O-CG 3.23Å; K4-Y8 PolarHBondContact O-N 2.9Å; K4-Y8 VanDerWaalsContact O-N 3.08Å
5K82.1Confident80.3Confident82 Ų8273.3 Ų73.336%0.35736%0.355SS..Hα-helixtrans-60-36.4175.7-71.4-167.8172.4-162.40111.5M1 A2 Y8 R9M1-K5 PolarHBondContact O-N 3.29Å; A2-K5 PolarHBondContact O-N 3.2Å; A2-K5 VanDerWaalsContact O-N 3.13Å; K5-Y8 PolarHBondContact O-N 3.09Å; K5-R9 WeakPolarHBondContact O-CG 3.35Å; K5-R9 PolarHBondContact O-N 3.43Å
6E81.2Confident80.7Confident64 Ų6472.4 Ų72.430%0.29935%0.352SS..Hα-helixtrans-64.8-43.7176.9-158.759.4-159.700112.3A2 D3 K4 Y8 R9 S10 V53A2-E6 PolarHBondContact O-N 2.85Å; A2-E6 VanDerWaalsContact O-N 3.15Å; D3-E6 PolarHBondContact O-N 3.39Å; K4-E6 PolarHBondContact O-N 3.09Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 2.93Å; E6-R9 WeakPolarHBondContact O-CB 3.47Å; E6-R9 PolarHBondContact O-N 3.02Å; E6-R9 IonicContact OE2-CZ 3.28Å; E6-R9 IonicContact OE2-NH1 3.9Å; E6-R9 PolarHBondContact OE2-NH1 3.33Å; E6-S10 PolarHBondContact O-N 3.08Å; E6-S10 PolarHBondContact O-OG 3Å; E6-V53 WeakPolarHBondContact OE1-CA 3.37Å
7I83.4Confident81Confident87 Ų8772.6 Ų72.645%0.44636%0.356SS..Hα-helixtrans-59.1-44.4174.1-65.3169.2000110.8D3 K4 R9 S10 I11D3-I7 PolarHBondContact O-N 2.86Å; K4-I7 PolarHBondContact O-N 3.28Å; I7-R9 VanDerWaalsContact C-N 3.35Å; I7-R9 PolarHBondContact O-N 2.91Å; I7-S10 WeakPolarHBondContact O-CB 3.49Å; I7-S10 PolarHBondContact O-N 2.85Å; I7-I11 HydrophobicContact CG2-CD1 3.96Å; I7-I11 HydrophobicContact CG2-CG1 4.5Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 2.9Å
8Y86Confident81.4Confident57 Ų5770.1 Ų70.122%0.22434%0.343CS..Hα-helixtrans-65.7-37.7179.5-56.2-39.3000112.3K4 K5 E6 I11 A12 F43 I45K4-Y8 HydrophobicContact CB-CE2 3.87Å; K4-Y8 WeakPolarHBondContact O-CD2 3.38Å; K4-Y8 WeakPolarHBondContact O-CE2 3.42Å; K4-Y8 VanDerWaalsContact O-CG 3.23Å; K4-Y8 PolarHBondContact O-N 2.9Å; K4-Y8 VanDerWaalsContact O-N 3.08Å; K5-Y8 PolarHBondContact O-N 3.09Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 2.93Å; Y8-I11 HydrophobicContact CD1-CD1 4.47Å; Y8-I11 PolarHBondContact O-N 3.18Å; Y8-A12 PolarHBondContact O-N 3.03Å; Y8-F43 HydrophobicContact CD1-CD2 4.09Å; Y8-F43 AromaticContact CD1-CE2 3.98Å; Y8-F43 HydrophobicContact CD1-CE2 3.98Å; Y8-F43 HydrophobicContact CD1-CZ 4.31Å; Y8-F43 HydrophobicContact CD2-CB 3.8Å; Y8-F43 AromaticContact CD2-CD1 3.69Å; Y8-F43 HydrophobicContact CD2-CD1 3.69Å; Y8-F43 AromaticContact CD2-CD2 3.83Å; Y8-F43 HydrophobicContact CD2-CD2 3.83Å; Y8-F43 HydrophobicContact CD2-CE1 4.21Å; Y8-F43 HydrophobicContact CD2-CE2 4.35Å; Y8-F43 AromaticContact CD2-CG 3.48Å; Y8-F43 HydrophobicContact CD2-CG 3.48Å; Y8-F43 VanDerWaalsContact CD2-CG 3.48Å; Y8-F43 HydrophobicContact CE1-CD2 4.39Å; Y8-F43 HydrophobicContact CE1-CE1 4.14Å; Y8-F43 AromaticContact CE1-CE2 3.97Å; Y8-F43 HydrophobicContact CE1-CE2 3.97Å; Y8-F43 AromaticContact CE1-CZ 3.83Å; Y8-F43 HydrophobicContact CE1-CZ 3.83Å; Y8-F43 HydrophobicContact CE2-CB 4.33Å; Y8-F43 AromaticContact CE2-CD1 3.35Å; Y8-F43 HydrophobicContact CE2-CD1 3.35Å; Y8-F43 HydrophobicContact CE2-CD2 4.17Å; Y8-F43 AromaticContact CE2-CE1 3.57Å; Y8-F43 HydrophobicContact CE2-CE1 3.57Å; Y8-F43 HydrophobicContact CE2-CE2 4.36Å; Y8-F43 AromaticContact CE2-CG 3.69Å; Y8-F43 HydrophobicContact CE2-CG 3.69Å; Y8-F43 HydrophobicContact CE2-CZ 4.08Å; Y8-F43 HydrophobicContact CG-CB 4.42Å; Y8-F43 HydrophobicContact CG-CD1 4.45Å; Y8-F43 AromaticContact CG-CD2 3.82Å; Y8-F43 HydrophobicContact CG-CD2 3.82Å; Y8-F43 HydrophobicContact CG-CE2 4.19Å; Y8-F43 AromaticContact CG-CG 3.97Å; Y8-F43 HydrophobicContact CG-CG 3.97Å; Y8-F43 AromaticContact CZ-CD1 3.84Å; Y8-F43 AromaticContact CZ-CE1 3.53Å; Y8-F43 AromaticContact CZ-CZ 3.72Å; Y8-I45 HydrophobicContact CD2-CD1 4.37Å; Y8-I45 HydrophobicContact CG-CD1 4.23Å
9R84.6Confident81.7Confident56 Ų5667.8 Ų67.821%0.21133%0.332CS..Hα-helixtrans-61.8-43.2170-72.7-177.8-167.8124.4-4.5111.5K5 E6 I7 I11 A12 R13 I45 E49 V53K5-R9 WeakPolarHBondContact O-CG 3.35Å; K5-R9 PolarHBondContact O-N 3.43Å; E6-R9 WeakPolarHBondContact O-CB 3.47Å; E6-R9 PolarHBondContact O-N 3.02Å; E6-R9 IonicContact OE2-CZ 3.28Å; E6-R9 IonicContact OE2-NH1 3.9Å; E6-R9 PolarHBondContact OE2-NH1 3.33Å; I7-R9 VanDerWaalsContact C-N 3.35Å; I7-R9 PolarHBondContact O-N 2.91Å; R9-I11 VanDerWaalsContact C-N 3.29Å; R9-I11 PolarHBondContact O-N 3.28Å; R9-A12 PolarHBondContact O-N 3.45Å; R9-R13 WeakPolarHBondContact O-CB 3.37Å; R9-R13 PolarHBondContact O-N 3.48Å; R9-I45 HydrophobicContact CG-CG2 3.58Å; R9-E49 IonicContact CZ-OE2 3.72Å; R9-E49 VanDerWaalsContact CZ-OE2 3.28Å; R9-E49 IonicContact NE-OE2 3.31Å; R9-E49 IonicContact NH2-OE2 2.67Å; R9-E49 PolarHBondContact NH2-OE2 3.35Å; R9-V53 HydrophobicContact CB-CG1 3.81Å; R9-V53 HydrophobicContact CB-CG2 3.9Å
10S85.3Confident81.9Confident1 Ų169.4 Ų69.41%0.00735%0.35CS..Hα-helixtrans-61.1-37.5176.2-65.30000112.1E6 I7 F14 V53 L54E6-S10 PolarHBondContact O-N 3.08Å; E6-S10 PolarHBondContact O-OG 3Å; I7-S10 WeakPolarHBondContact O-CB 3.49Å; I7-S10 PolarHBondContact O-N 2.85Å; S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 3.18Å; S10-V53 WeakPolarHBondContact OG-CG1 3.25Å; S10-L54 WeakPolarHBondContact CB-O 3.37Å; S10-L54 PolarHBondContact OG-O 3.41Å
11I86.9Confident82Confident42 Ų4268.5 Ų68.522%0.21535%0.351CS..Hα-helixtrans-68.5-46.2175.4-64.2163.4000111.1I7 Y8 R9 R13 F14 F15 I39 L56I7-I11 HydrophobicContact CG2-CD1 3.96Å; I7-I11 HydrophobicContact CG2-CG1 4.5Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 2.9Å; Y8-I11 HydrophobicContact CD1-CD1 4.47Å; Y8-I11 PolarHBondContact O-N 3.18Å; R9-I11 VanDerWaalsContact C-N 3.29Å; R9-I11 PolarHBondContact O-N 3.28Å; I11-R13 VanDerWaalsContact C-N 3.33Å; I11-R13 PolarHBondContact O-N 2.86Å; I11-F14 WeakPolarHBondContact O-CB 3.47Å; I11-F14 PolarHBondContact O-N 2.75Å; I11-F15 HydrophobicContact CG2-CD2 4.36Å; I11-F15 HydrophobicContact CG2-CE2 3.81Å; I11-F15 HydrophobicContact CG2-CZ 3.9Å; I11-F15 PolarHBondContact O-N 2.81Å; I11-I39 HydrophobicContact CB-CD1 4.45Å; I11-I39 HydrophobicContact CG2-CD1 3.51Å; I11-L56 HydrophobicContact CG1-CD1 4.44Å; I11-L56 HydrophobicContact CG1-CD2 3.94Å
12A86.7Confident83.1Confident4 Ų466.2 Ų66.23%0.03334%0.342CS..Hα-helixtrans-60.6-43177.300000111.8Y8 R9 F14 F15 D16 K36 E40Y8-A12 PolarHBondContact O-N 3.03Å; R9-A12 PolarHBondContact O-N 3.45Å; A12-F14 VanDerWaalsContact C-N 3.34Å; A12-F14 PolarHBondContact O-N 3.39Å; A12-F15 PolarHBondContact O-N 3.1Å; A12-D16 PolarHBondContact O-N 3.2Å; A12-K36 HydrophobicContact CB-CG 4.17Å; A12-E40 HydrophobicContact CB-CG 4.39Å
13R84.9Confident84.3Confident103 Ų10368 Ų6839%0.38935%0.345SS..Hα-helixtrans-64.7-36.8175.2-168.2-178.7-168.8156.112.2112.5R9 I11 F15 D16 N17 V53R9-R13 WeakPolarHBondContact O-CB 3.37Å; R9-R13 PolarHBondContact O-N 3.48Å; I11-R13 VanDerWaalsContact C-N 3.33Å; I11-R13 PolarHBondContact O-N 2.86Å; R13-F15 VanDerWaalsContact C-N 3.35Å; R13-D16 PolarHBondContact O-N 3.03Å; R13-N17 VanDerWaalsContact O-CG 3.29Å; R13-N17 PolarHBondContact O-N 3.21Å; R13-V53 PolarHBondContact NH1-O 3.36Å
14F88.2Confident85Confident49 Ų4966 Ų6622%0.21533%0.329CS..Hα-helixtrans-59.8-47173.6172.6-98.8000110.4S10 I11 A12 D16 N17 E18 L56 Q57S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 3.18Å; I11-F14 WeakPolarHBondContact O-CB 3.47Å; I11-F14 PolarHBondContact O-N 2.75Å; A12-F14 VanDerWaalsContact C-N 3.34Å; A12-F14 PolarHBondContact O-N 3.39Å; F14-D16 PolarHBondContact O-N 3.26Å; F14-N17 PolarHBondContact O-N 3.5Å; F14-E18 HydrophobicContact CD1-CG 4.23Å; F14-E18 HydrophobicContact CD2-CG 4.31Å; F14-E18 HydrophobicContact CE1-CG 3.78Å; F14-E18 HydrophobicContact CE2-CG 3.88Å; F14-E18 WeakPolarHBondContact CE2-OE1 3.19Å; F14-E18 HydrophobicContact CG-CG 4.47Å; F14-E18 HydrophobicContact CZ-CG 3.58Å; F14-E18 WeakPolarHBondContact CZ-OE1 3.49Å; F14-E18 WeakPolarHBondContact O-CG 3.21Å; F14-E18 PolarHBondContact O-N 3.19Å; F14-L56 HydrophobicContact CB-CB 4.19Å; F14-L56 HydrophobicContact CB-CD2 4.35Å; F14-L56 HydrophobicContact CG-CD2 4.37Å; F14-Q57 HydrophobicContact CD2-CG 4.19Å; F14-Q57 HydrophobicContact CE2-CG 3.97Å
15F88.4Confident85.3Confident37 Ų3762.7 Ų62.716%0.16232%0.322CS..Hα-helixtrans-61.6-41.2174.9-62.8-27.4000112.9I11 A12 R13 N17 E18 I19 L32 A35 K36 I39I11-F15 HydrophobicContact CG2-CD2 4.36Å; I11-F15 HydrophobicContact CG2-CE2 3.81Å; I11-F15 HydrophobicContact CG2-CZ 3.9Å; I11-F15 PolarHBondContact O-N 2.81Å; A12-F15 PolarHBondContact O-N 3.1Å; R13-F15 VanDerWaalsContact C-N 3.35Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 2.88Å; F15-E18 PolarHBondContact O-N 3.06Å; F15-I19 WeakPolarHBondContact O-CB 3.24Å; F15-I19 WeakPolarHBondContact O-CD1 3.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 2.92Å; F15-L32 HydrophobicContact CD1-CD2 3.94Å; F15-L32 HydrophobicContact CE1-CD2 4.22Å; F15-A35 HydrophobicContact CD2-CB 4.3Å; F15-A35 HydrophobicContact CE2-CB 3.86Å; F15-A35 HydrophobicContact CZ-CB 4.43Å; F15-K36 HydrophobicContact CB-CB 4.28Å; F15-K36 HydrophobicContact CD2-CB 4.1Å; F15-I39 HydrophobicContact CD2-CD1 4.45Å; F15-I39 HydrophobicContact CE2-CD1 3.67Å; F15-I39 HydrophobicContact CZ-CD1 4.49Å
16D86.5Confident85.6Confident59 Ų5962.7 Ų62.732%0.31633%0.332SS..Hα-helixtrans-59-41.9174.3-84.5-22.5000112.8A12 R13 F14 S20 K36A12-D16 PolarHBondContact O-N 3.2Å; R13-D16 PolarHBondContact O-N 3.03Å; F14-D16 PolarHBondContact O-N 3.26Å; D16-S20 VanDerWaalsContact O-CB 3.24Å; D16-S20 WeakPolarHBondContact O-CB 3.35Å; D16-S20 PolarHBondContact O-N 3.42Å; D16-S20 PolarHBondContact O-OG 3.5Å; D16-K36 VanDerWaalsContact OD1-CD 3.28Å; D16-K36 WeakPolarHBondContact OD1-CD 3.39Å; D16-K36 WeakPolarHBondContact OD1-CE 3.46Å; D16-K36 IonicContact OD1-NZ 3.6Å; D16-K36 PolarHBondContact OD1-NZ 3.34Å; D16-K36 WeakPolarHBondContact OD2-CE 3.33Å; D16-K36 IonicContact OD2-NZ 2.62Å; D16-K36 PolarHBondContact OD2-NZ 3.01Å
17N86.3Confident86Confident76 Ų7667.4 Ų67.441%0.40635%0.354SS..Hα-helixtrans-66.3-42.1177.1-70.4-17.7000111.4R13 F14 F15 S20 S21R13-N17 VanDerWaalsContact O-CG 3.29Å; R13-N17 PolarHBondContact O-N 3.21Å; F14-N17 PolarHBondContact O-N 3.5Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 2.88Å; N17-S20 PolarHBondContact O-N 3.22Å; N17-S21 WeakPolarHBondContact O-CB 3.2Å; N17-S21 PolarHBondContact O-N 3.42Å
18E87.6Confident86.3Confident28 Ų2867 Ų6713%0.13135%0.352CS..Hα-helixtrans-66.8-40.7177.9-67.9-53.7147.700111.6F14 F15 S21 Y24 L32F14-E18 HydrophobicContact CD1-CG 4.23Å; F14-E18 HydrophobicContact CD2-CG 4.31Å; F14-E18 HydrophobicContact CE1-CG 3.78Å; F14-E18 HydrophobicContact CE2-CG 3.88Å; F14-E18 WeakPolarHBondContact CE2-OE1 3.19Å; F14-E18 HydrophobicContact CG-CG 4.47Å; F14-E18 HydrophobicContact CZ-CG 3.58Å; F14-E18 WeakPolarHBondContact CZ-OE1 3.49Å; F14-E18 WeakPolarHBondContact O-CG 3.21Å; F14-E18 PolarHBondContact O-N 3.19Å; F15-E18 PolarHBondContact O-N 3.06Å; E18-S21 WeakPolarHBondContact O-CB 3.36Å; E18-S21 PolarHBondContact O-N 3.11Å; E18-S21 PolarHBondContact O-OG 3.14Å; E18-Y24 HydrophobicContact CB-CE2 3.88Å; E18-Y24 HydrophobicContact CG-CE2 4.42Å; E18-Y24 VanDerWaalsContact OE2-CE2 3.31Å; E18-Y24 WeakPolarHBondContact OE2-CE2 3.14Å; E18-Y24 PolarHBondContact OE2-OH 3.27Å; E18-L32 HydrophobicContact CB-CD1 4.18Å
19I86.8Confident86.5Confident27 Ų2765.3 Ų65.314%0.13835%0.347CS..Hα-helixtrans-63.1-44.9173.4-66.1157.5000110.3F15 S21 N22 L32 E33F15-I19 WeakPolarHBondContact O-CB 3.24Å; F15-I19 WeakPolarHBondContact O-CD1 3.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 2.92Å; I19-S21 PolarHBondContact O-N 3.49Å; I19-N22 PolarHBondContact O-N 2.89Å; I19-L32 HydrophobicContact CD1-CB 3.88Å; I19-L32 HydrophobicContact CG1-CB 3.68Å; I19-L32 HydrophobicContact CG1-CD1 4.08Å; I19-E33 HydrophobicContact CD1-CB 4.47Å; I19-E33 HydrophobicContact CD1-CG 3.62Å; I19-E33 HydrophobicContact CG1-CG 4.45Å
20S86.2Confident86.7Confident98 Ų9868.1 Ų68.169%0.68536%0.362SS*.Hα-helixtrans-70-20.3179.7-58.20000113.4D16 N17 N22D16-S20 VanDerWaalsContact O-CB 3.24Å; D16-S20 WeakPolarHBondContact O-CB 3.35Å; D16-S20 PolarHBondContact O-N 3.42Å; D16-S20 PolarHBondContact O-OG 3.5Å; N17-S20 PolarHBondContact O-N 3.22Å; S20-N22 PolarHBondContact O-N 2.95Å
21S84.3Confident87.1Confident52 Ų5270.1 Ų70.136%0.36438%0.383SS..THydrogen-bonded Turntrans-67-18.1179.978.30000113.2N17 E18 I19 V23N17-S21 WeakPolarHBondContact O-CB 3.2Å; N17-S21 PolarHBondContact O-N 3.42Å; E18-S21 WeakPolarHBondContact O-CB 3.36Å; E18-S21 PolarHBondContact O-N 3.11Å; E18-S21 PolarHBondContact O-OG 3.14Å; I19-S21 PolarHBondContact O-N 3.49Å; S21-V23 PolarHBondContact O-N 3.24Å; S21-V23 VanDerWaalsContact O-N 3.13Å; S21-V23 WeakPolarHBondContact OG-CG2 3.35Å; S21-V23 PolarHBondContact OG-N 2.83Å
22N78.5Confident87.3Confident139 Ų13969.5 Ų69.574%0.74338%0.38SS*.THydrogen-bonded Turntrans54.326.2-177.8-149.827.5000113.7I19 S20I19-N22 PolarHBondContact O-N 2.89Å; S20-N22 PolarHBondContact O-N 2.95Å
23V86.1Confident87.4Confident108 Ų10874.5 Ų74.566%0.65540%0.402SS*.  trans-84.1-28.6178.6175.70000111.7S21S21-V23 PolarHBondContact O-N 3.24Å; S21-V23 VanDerWaalsContact O-N 3.13Å; S21-V23 WeakPolarHBondContact OG-CG2 3.35Å; S21-V23 PolarHBondContact OG-N 2.83Å
24Y85.5Confident87.8Confident90 Ų9074 Ų7435%0.35341%0.411SS..SBendtrans-97.1158.6-173.6-57.4-74.5000112.9E18 I28 N29 L32E18-Y24 HydrophobicContact CB-CE2 3.88Å; E18-Y24 HydrophobicContact CG-CE2 4.42Å; E18-Y24 VanDerWaalsContact OE2-CE2 3.31Å; E18-Y24 WeakPolarHBondContact OE2-CE2 3.14Å; E18-Y24 PolarHBondContact OE2-OH 3.27Å; Y24-I28 HydrophobicContact CD1-CD1 4.25Å; Y24-I28 HydrophobicContact CD1-CG2 3.87Å; Y24-I28 HydrophobicContact CG-CG2 3.79Å; Y24-N29 PolarHBondContact O-ND2 3.05Å; Y24-L32 HydrophobicContact CD2-CD1 4.14Å; Y24-L32 HydrophobicContact CE2-CD1 4.45Å
25S86.8Confident88Confident58 Ų5873.3 Ų73.341%0.40641%0.414SS..  trans-66.2159.7172.9640000111.2E27 I28 N29S25-E27 PolarHBondContact O-N 2.88Å; S25-I28 PolarHBondContact O-N 3.31Å; S25-I28 WeakPolarHBondContact OG-CG1 3.39Å; S25-N29 PolarHBondContact O-N 3.17Å
26S88.4Confident88Confident82 Ų8273.6 Ų73.657%0.57342%0.415SS*.Hα-helixtrans-52.3-43.1176.5-165.60000112.2I28 N29 E30S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.81Å; S26-N29 PolarHBondContact O-N 3.07Å; S26-E30 WeakPolarHBondContact O-CG 3.28Å; S26-E30 PolarHBondContact O-N 3.42Å; S26-E30 PolarHBondContact OG-OE1 2.94Å
27E88.6Confident88.1Confident162 Ų16275.8 Ų75.876%0.75742%0.423SS*.Hα-helixtrans-60.1-39.1178.5-63.6173.8178.100112.6S25 G31S25-E27 PolarHBondContact O-N 2.88Å; E27-G31 PolarHBondContact O-N 3.46Å; E27-G31 VanDerWaalsContact O-N 3.1Å
28I89.3Confident88.4Confident80 Ų8075.8 Ų75.841%0.4143%0.429SS..Hα-helixtrans-73-41.9177.6-65.9170.2000110.1Y24 S25 S26 E30 G31 L32Y24-I28 HydrophobicContact CD1-CD1 4.25Å; Y24-I28 HydrophobicContact CD1-CG2 3.87Å; Y24-I28 HydrophobicContact CG-CG2 3.79Å; S25-I28 PolarHBondContact O-N 3.31Å; S25-I28 WeakPolarHBondContact OG-CG1 3.39Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.81Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 2.9Å; I28-G31 CarbonylContact O-C 3.48Å; I28-G31 WeakPolarHBondContact O-CA 3.22Å; I28-G31 PolarHBondContact O-N 3.36Å; I28-G31 VanDerWaalsContact O-N 3.11Å; I28-L32 HydrophobicContact CG2-CD1 4.09Å; I28-L32 HydrophobicContact CG2-CG 4.22Å; I28-L32 WeakPolarHBondContact O-CG 3.15Å; I28-L32 PolarHBondContact O-N 2.81Å
29N90Very high88.4Confident21 Ų2176 Ų7611%0.11243%0.43CS..Hα-helixtrans-59.8-43.7176.9-72.5-25.7000111.3Y24 S25 S26 G31 L32 E33Y24-N29 PolarHBondContact O-ND2 3.05Å; S25-N29 PolarHBondContact O-N 3.17Å; S26-N29 PolarHBondContact O-N 3.07Å; N29-G31 VanDerWaalsContact C-N 3.33Å; N29-G31 PolarHBondContact O-N 3.46Å; N29-L32 PolarHBondContact O-N 2.82Å; N29-E33 WeakPolarHBondContact O-CG 3.16Å; N29-E33 PolarHBondContact O-N 2.8Å
30E90.6Very high88.4Confident115 Ų11576 Ų7654%0.53743%0.429SS..Hα-helixtrans-59.3-43.4172.6-72.7171.6-152.400111.6S26 I28 L32 E33 V34S26-E30 WeakPolarHBondContact O-CG 3.28Å; S26-E30 PolarHBondContact O-N 3.42Å; S26-E30 PolarHBondContact OG-OE1 2.94Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 2.9Å; E30-L32 PolarHBondContact O-N 3.11Å; E30-E33 PolarHBondContact O-N 3.23Å; E30-V34 WeakPolarHBondContact O-CG2 3.35Å; E30-V34 PolarHBondContact O-N 3.27Å
31G91.9Very high88.6Confident42 Ų4275.3 Ų75.343%0.43342%0.422SS..Hα-helixtrans-61.8-40174.900000113.5E27 I28 N29 V34 A35E27-G31 PolarHBondContact O-N 3.46Å; E27-G31 VanDerWaalsContact O-N 3.1Å; I28-G31 CarbonylContact O-C 3.48Å; I28-G31 WeakPolarHBondContact O-CA 3.22Å; I28-G31 PolarHBondContact O-N 3.36Å; I28-G31 VanDerWaalsContact O-N 3.11Å; N29-G31 VanDerWaalsContact C-N 3.33Å; N29-G31 PolarHBondContact O-N 3.46Å; G31-V34 PolarHBondContact O-N 2.88Å; G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 3.49Å
32L91.1Very high88.8Confident30 Ų3076 Ų7616%0.15743%0.43CS..Hα-helixtrans-67.7-39.9176.2-70.1175.3000111.6F15 E18 I19 Y24 I28 N29 E30 A35 K36F15-L32 HydrophobicContact CD1-CD2 3.94Å; F15-L32 HydrophobicContact CE1-CD2 4.22Å; E18-L32 HydrophobicContact CB-CD1 4.18Å; I19-L32 HydrophobicContact CD1-CB 3.88Å; I19-L32 HydrophobicContact CG1-CB 3.68Å; I19-L32 HydrophobicContact CG1-CD1 4.08Å; Y24-L32 HydrophobicContact CD2-CD1 4.14Å; Y24-L32 HydrophobicContact CE2-CD1 4.45Å; I28-L32 HydrophobicContact CG2-CD1 4.09Å; I28-L32 HydrophobicContact CG2-CG 4.22Å; I28-L32 WeakPolarHBondContact O-CG 3.15Å; I28-L32 PolarHBondContact O-N 2.81Å; N29-L32 PolarHBondContact O-N 2.82Å; E30-L32 PolarHBondContact O-N 3.11Å; L32-A35 PolarHBondContact O-N 3.32Å; L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 PolarHBondContact O-N 2.8Å
33E90.4Very high89.2Confident109 Ų10973 Ų7351%0.50941%0.41SS..Hα-helixtrans-62-44.6174.4-75.6-179.2-17600111.4I19 N29 E30 A35 K36 Q37I19-E33 HydrophobicContact CD1-CB 4.47Å; I19-E33 HydrophobicContact CD1-CG 3.62Å; I19-E33 HydrophobicContact CG1-CG 4.45Å; N29-E33 WeakPolarHBondContact O-CG 3.16Å; N29-E33 PolarHBondContact O-N 2.8Å; E30-E33 PolarHBondContact O-N 3.23Å; E33-A35 PolarHBondContact O-N 3.14Å; E33-K36 PolarHBondContact O-N 2.84Å; E33-Q37 WeakPolarHBondContact O-CB 3.31Å; E33-Q37 PolarHBondContact O-N 3.48Å
34V93Very high89.1Confident93 Ų9375.4 Ų75.456%0.56441%0.414SS*.Hα-helixtrans-61.3-44.7174.8172.70000110.8E30 G31 K36 Q37 C38E30-V34 WeakPolarHBondContact O-CG2 3.35Å; E30-V34 PolarHBondContact O-N 3.27Å; G31-V34 PolarHBondContact O-N 2.88Å; V34-K36 PolarHBondContact O-N 3.18Å; V34-Q37 PolarHBondContact O-N 3.34Å; V34-C38 WeakPolarHBondContact O-CB 3.45Å; V34-C38 PolarHBondContact O-N 3.34Å; V34-C38 PolarHBondContact O-SG 2.94Å
35A92.2Very high88.7Confident34 Ų3471.8 Ų71.828%0.28140%0.401SS..Hα-helixtrans-61.3-44.2177.800000112.2F15 G31 L32 E33 C38 I39F15-A35 HydrophobicContact CD2-CB 4.3Å; F15-A35 HydrophobicContact CE2-CB 3.86Å; F15-A35 HydrophobicContact CZ-CB 4.43Å; G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 3.49Å; L32-A35 PolarHBondContact O-N 3.32Å; E33-A35 PolarHBondContact O-N 3.14Å; A35-C38 WeakPolarHBondContact O-CB 3.42Å; A35-C38 PolarHBondContact O-N 3.48Å; A35-I39 WeakPolarHBondContact O-CG1 3.37Å; A35-I39 PolarHBondContact O-N 3.46Å; A35-I39 VanDerWaalsContact O-N 3.11Å
36K88.8Confident87.8Confident42 Ų4272.2 Ų72.218%0.18340%0.404CS..Hα-helixtrans-57.4-51.7173.8178.3-172.2165.2-172.40110.8A12 F15 D16 L32 E33 V34 C38 I39 E40A12-K36 HydrophobicContact CB-CG 4.17Å; F15-K36 HydrophobicContact CB-CB 4.28Å; F15-K36 HydrophobicContact CD2-CB 4.1Å; D16-K36 VanDerWaalsContact OD1-CD 3.28Å; D16-K36 WeakPolarHBondContact OD1-CD 3.39Å; D16-K36 WeakPolarHBondContact OD1-CE 3.46Å; D16-K36 IonicContact OD1-NZ 3.6Å; D16-K36 PolarHBondContact OD1-NZ 3.34Å; D16-K36 WeakPolarHBondContact OD2-CE 3.33Å; D16-K36 IonicContact OD2-NZ 2.62Å; D16-K36 PolarHBondContact OD2-NZ 3.01Å; L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 PolarHBondContact O-N 2.8Å; E33-K36 PolarHBondContact O-N 2.84Å; V34-K36 PolarHBondContact O-N 3.18Å; K36-C38 VanDerWaalsContact C-N 3.28Å; K36-C38 PolarHBondContact O-N 3.01Å; K36-I39 PolarHBondContact O-N 2.94Å; K36-I39 VanDerWaalsContact O-N 3.12Å; K36-E40 WeakPolarHBondContact CE-OE1 3.38Å; K36-E40 HydrophobicContact CG-CG 4.41Å; K36-E40 IonicContact NZ-OE1 3.36Å; K36-E40 WeakPolarHBondContact O-CG 3.33Å; K36-E40 PolarHBondContact O-N 3.39Å
37Q89.1Confident86.5Confident106 Ų10671.4 Ų71.450%0.49541%0.408SS..Hα-helixtrans-61.9-36.7-179-168.264.838.300112E33 V34 E40 T41E33-Q37 WeakPolarHBondContact O-CB 3.31Å; E33-Q37 PolarHBondContact O-N 3.48Å; V34-Q37 PolarHBondContact O-N 3.34Å; Q37-E40 PolarHBondContact O-N 2.96Å; Q37-T41 VanDerWaalsContact O-CB 3.25Å; Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.85Å; Q37-T41 PolarHBondContact O-OG1 2.88Å
38C91.4Very high85Confident76 Ų7669.4 Ų69.451%0.51441%0.407SS..Hα-helixtrans-61.6-44.9175.2-71.20000111.4V34 A35 K36 A42V34-C38 WeakPolarHBondContact O-CB 3.45Å; V34-C38 PolarHBondContact O-N 3.34Å; V34-C38 PolarHBondContact O-SG 2.94Å; A35-C38 WeakPolarHBondContact O-CB 3.42Å; A35-C38 PolarHBondContact O-N 3.48Å; K36-C38 VanDerWaalsContact C-N 3.28Å; K36-C38 PolarHBondContact O-N 3.01Å; C38-A42 WeakPolarHBondContact O-CB 3.45Å; C38-A42 PolarHBondContact O-N 3.25Å
39I87.6Confident83.3Confident32 Ų3271 Ų7116%0.16441%0.413CS..Hα-helixtrans-66.4-47.5177.7-67.1175.4000110.6I11 F15 A35 K36 T41 A42 F43 I45I11-I39 HydrophobicContact CB-CD1 4.45Å; I11-I39 HydrophobicContact CG2-CD1 3.51Å; F15-I39 HydrophobicContact CD2-CD1 4.45Å; F15-I39 HydrophobicContact CE2-CD1 3.67Å; F15-I39 HydrophobicContact CZ-CD1 4.49Å; A35-I39 WeakPolarHBondContact O-CG1 3.37Å; A35-I39 PolarHBondContact O-N 3.46Å; A35-I39 VanDerWaalsContact O-N 3.11Å; K36-I39 PolarHBondContact O-N 2.94Å; K36-I39 VanDerWaalsContact O-N 3.12Å; I39-T41 VanDerWaalsContact C-N 3.31Å; I39-T41 PolarHBondContact O-N 3.44Å; I39-A42 PolarHBondContact O-N 2.99Å; I39-F43 HydrophobicContact CG2-CD2 3.85Å; I39-F43 HydrophobicContact CG2-CE2 4.26Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 3.22Å; I39-I45 HydrophobicContact CG2-CD1 4.48Å
40E87.3Confident81.5Confident26 Ų2676.7 Ų76.712%0.12145%0.448CS..Hα-helixtrans-59.5-43.4-180-73.2-177.6163.400112A12 K36 Q37 H44 I45A12-E40 HydrophobicContact CB-CG 4.39Å; K36-E40 WeakPolarHBondContact CE-OE1 3.38Å; K36-E40 HydrophobicContact CG-CG 4.41Å; K36-E40 IonicContact NZ-OE1 3.36Å; K36-E40 WeakPolarHBondContact O-CG 3.33Å; K36-E40 PolarHBondContact O-N 3.39Å; Q37-E40 PolarHBondContact O-N 2.96Å; E40-H44 WeakPolarHBondContact O-CA 3.45Å; E40-H44 PolarHBondContact O-N 3.33Å; E40-H44 VanDerWaalsContact O-N 3.08Å; E40-I45 PolarHBondContact O-N 2.99Å
41T89.8Confident79.8Confident85 Ų8573.3 Ų73.352%0.52144%0.444SS..Hα-helixtrans-70.1-45.6178.8-52.70000111.5Q37 I39 F43Q37-T41 VanDerWaalsContact O-CB 3.25Å; Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.85Å; Q37-T41 PolarHBondContact O-OG1 2.88Å; I39-T41 VanDerWaalsContact C-N 3.31Å; I39-T41 PolarHBondContact O-N 3.44Å; T41-F43 VanDerWaalsContact C-N 3.29Å; T41-F43 PolarHBondContact O-N 2.99Å
42A88.6Confident78.4Confident66 Ų6679 Ų7955%0.54547%0.465SS..Hα-helixtrans-64.9-31.9-177.200000113.1C38 I39C38-A42 WeakPolarHBondContact O-CB 3.45Å; C38-A42 PolarHBondContact O-N 3.25Å; I39-A42 PolarHBondContact O-N 2.99Å
43F86.8Confident77.2Confident75 Ų7578.2 Ų78.233%0.32946%0.461SS..Hα-helixtrans-1107.3-175.3-60.7-66.4000114.3Y8 I39 T41 I45Y8-F43 HydrophobicContact CD1-CD2 4.09Å; Y8-F43 AromaticContact CD1-CE2 3.98Å; Y8-F43 HydrophobicContact CD1-CE2 3.98Å; Y8-F43 HydrophobicContact CD1-CZ 4.31Å; Y8-F43 HydrophobicContact CD2-CB 3.8Å; Y8-F43 AromaticContact CD2-CD1 3.69Å; Y8-F43 HydrophobicContact CD2-CD1 3.69Å; Y8-F43 AromaticContact CD2-CD2 3.83Å; Y8-F43 HydrophobicContact CD2-CD2 3.83Å; Y8-F43 HydrophobicContact CD2-CE1 4.21Å; Y8-F43 HydrophobicContact CD2-CE2 4.35Å; Y8-F43 AromaticContact CD2-CG 3.48Å; Y8-F43 HydrophobicContact CD2-CG 3.48Å; Y8-F43 VanDerWaalsContact CD2-CG 3.48Å; Y8-F43 HydrophobicContact CE1-CD2 4.39Å; Y8-F43 HydrophobicContact CE1-CE1 4.14Å; Y8-F43 AromaticContact CE1-CE2 3.97Å; Y8-F43 HydrophobicContact CE1-CE2 3.97Å; Y8-F43 AromaticContact CE1-CZ 3.83Å; Y8-F43 HydrophobicContact CE1-CZ 3.83Å; Y8-F43 HydrophobicContact CE2-CB 4.33Å; Y8-F43 AromaticContact CE2-CD1 3.35Å; Y8-F43 HydrophobicContact CE2-CD1 3.35Å; Y8-F43 HydrophobicContact CE2-CD2 4.17Å; Y8-F43 AromaticContact CE2-CE1 3.57Å; Y8-F43 HydrophobicContact CE2-CE1 3.57Å; Y8-F43 HydrophobicContact CE2-CE2 4.36Å; Y8-F43 AromaticContact CE2-CG 3.69Å; Y8-F43 HydrophobicContact CE2-CG 3.69Å; Y8-F43 HydrophobicContact CE2-CZ 4.08Å; Y8-F43 HydrophobicContact CG-CB 4.42Å; Y8-F43 HydrophobicContact CG-CD1 4.45Å; Y8-F43 AromaticContact CG-CD2 3.82Å; Y8-F43 HydrophobicContact CG-CD2 3.82Å; Y8-F43 HydrophobicContact CG-CE2 4.19Å; Y8-F43 AromaticContact CG-CG 3.97Å; Y8-F43 HydrophobicContact CG-CG 3.97Å; Y8-F43 AromaticContact CZ-CD1 3.84Å; Y8-F43 AromaticContact CZ-CE1 3.53Å; Y8-F43 AromaticContact CZ-CZ 3.72Å; I39-F43 HydrophobicContact CG2-CD2 3.85Å; I39-F43 HydrophobicContact CG2-CE2 4.26Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 3.22Å; T41-F43 VanDerWaalsContact C-N 3.29Å; T41-F43 PolarHBondContact O-N 2.99Å; F43-I45 HydrophobicContact CB-CD1 3.72Å; F43-I45 HydrophobicContact CB-CG1 3.9Å; F43-I45 PolarHBondContact O-N 3.43Å
44H83.7Confident76.2Confident159 Ų15977.5 Ų77.574%0.73646%0.46SS*.THydrogen-bonded Turntrans50.953.4-177-57-64.6000112.1E40E40-H44 WeakPolarHBondContact O-CA 3.45Å; E40-H44 PolarHBondContact O-N 3.33Å; E40-H44 VanDerWaalsContact O-N 3.08Å
45I77.9Confident75.4Confident15 Ų1575.2 Ų75.28%0.07745%0.445CS..  trans-102111177.9-56.8167.5000106.9Y8 R9 I39 E40 F43Y8-I45 HydrophobicContact CD2-CD1 4.37Å; Y8-I45 HydrophobicContact CG-CD1 4.23Å; R9-I45 HydrophobicContact CG-CG2 3.58Å; I39-I45 HydrophobicContact CG2-CD1 4.48Å; E40-I45 PolarHBondContact O-N 2.99Å; F43-I45 HydrophobicContact CB-CD1 3.72Å; F43-I45 HydrophobicContact CB-CG1 3.9Å; F43-I45 PolarHBondContact O-N 3.43Å
46S67.5Low74.8Confident67 Ų6776 Ų7647%0.46945%0.445SS..  trans-80.6122.1173.437.60000109.5T48S46-T48 PolarHBondContact O-N 3.38Å
47G61.6Low74.2Confident64 Ų6478 Ų7866%0.6645%0.454SS*.THydrogen-bonded Turntrans-63.516.2179.900000116.2
48T56.3Low73.5Confident120 Ų12076.6 Ų76.674%0.73645%0.453SS*.THydrogen-bonded Turntrans-108.5-2.6-17617.40000114.1S46 V50S46-T48 PolarHBondContact O-N 3.38Å; T48-V50 PolarHBondContact O-N 2.88Å; T48-V50 VanDerWaalsContact O-N 3.15Å
49E54.8Low72.8Confident113 Ų11375.3 Ų75.353%0.52844%0.441SS..  trans-88.180171.9-69.1-176177.700110.1R9 G51R9-E49 IonicContact CZ-OE2 3.72Å; R9-E49 VanDerWaalsContact CZ-OE2 3.28Å; R9-E49 IonicContact NE-OE2 3.31Å; R9-E49 IonicContact NH2-OE2 2.67Å; R9-E49 PolarHBondContact NH2-OE2 3.35Å; E49-G51 PolarHBondContact O-N 3.44Å
50V50.9Low72.2Confident141 Ų14180.5 Ų80.586%0.85546%0.463SS*.  trans-71.454.8169.6-167.10000109.7T48T48-V50 PolarHBondContact O-N 2.88Å; T48-V50 VanDerWaalsContact O-N 3.15Å
51G55.8Low71.8Confident44 Ų4485 Ų8545%0.45448%0.482SS..SBendtrans-88.7164.9166.800000110.2E49 V53E49-G51 PolarHBondContact O-N 3.44Å; G51-V53 PolarHBondContact O-N 2.94Å
52D62.4Low70.8Confident161 Ų16183.1 Ų83.186%0.86147%0.472SS*.  trans-61.763.8179.1-79.7-39.1000113.7L54D52-L54 PolarHBondContact O-N 3.39Å; D52-L54 VanDerWaalsContact O-N 3.13Å
53V65.8Low69.9Low14 Ų1485.4 Ų85.49%0.08547%0.471CS..  trans-67.6113.9175.7177.20000107.6E6 R9 S10 R13 G51 D55E6-V53 WeakPolarHBondContact OE1-CA 3.37Å; R9-V53 HydrophobicContact CB-CG1 3.81Å; R9-V53 HydrophobicContact CB-CG2 3.9Å; S10-V53 WeakPolarHBondContact OG-CG1 3.25Å; R13-V53 PolarHBondContact NH1-O 3.36Å; G51-V53 PolarHBondContact O-N 2.94Å; V53-D55 PolarHBondContact O-N 2.92Å
54L69.3Low68.9Low94 Ų9485.3 Ų85.349%0.49248%0.48SS..  trans-58.6131.4179.9-12674.5000109.7S10 D52 L56 L59S10-L54 WeakPolarHBondContact CB-O 3.37Å; S10-L54 PolarHBondContact OG-O 3.41Å; D52-L54 PolarHBondContact O-N 3.39Å; D52-L54 VanDerWaalsContact O-N 3.13Å; L54-L56 PolarHBondContact O-N 3.47Å; L54-L59 HydrophobicContact CB-CD1 3.94Å; L54-L59 HydrophobicContact CB-CD2 4.36Å; L54-L59 HydrophobicContact CB-CG 3.95Å; L54-L59 HydrophobicContact CD2-CD2 3.47Å; L54-L59 VanDerWaalsContact CD2-CD2 3.47Å; L54-L59 HydrophobicContact CD2-CG 3.74Å; L54-L59 HydrophobicContact CG-CD2 4.49Å; L54-L59 HydrophobicContact CG-CG 4.33Å
55D76Confident67.6Low45 Ų4585.4 Ų85.424%0.24148%0.481CS..  trans-61.1131.6176.716354.6000110.5V53 Q57 T58 L59V53-D55 PolarHBondContact O-N 2.92Å; D55-Q57 VanDerWaalsContact C-N 3.26Å; D55-Q57 PolarHBondContact O-N 3Å; D55-Q57 PolarHBondContact OD1-N 3.35Å; D55-Q57 WeakPolarHBondContact OD2-CB 3.47Å; D55-Q57 PolarHBondContact OD2-N 2.71Å; D55-T58 WeakPolarHBondContact O-CA 3.34Å; D55-T58 WeakPolarHBondContact O-CB 3.1Å; D55-T58 PolarHBondContact O-N 3.36Å; D55-T58 WeakPolarHBondContact OD2-CB 3.24Å; D55-T58 PolarHBondContact OD2-N 3.49Å; D55-T58 PolarHBondContact OD2-OG1 3.43Å; D55-L59 PolarHBondContact O-N 2.91Å
56L78.9Confident66.5Low52 Ų5291.1 Ų91.127%0.27251%0.505SS..Hα-helixtrans-62.3-36-176.2-170.768000111.2I11 F14 L54 T58 L59 F60I11-L56 HydrophobicContact CG1-CD1 4.44Å; I11-L56 HydrophobicContact CG1-CD2 3.94Å; F14-L56 HydrophobicContact CB-CB 4.19Å; F14-L56 HydrophobicContact CB-CD2 4.35Å; F14-L56 HydrophobicContact CG-CD2 4.37Å; L54-L56 PolarHBondContact O-N 3.47Å; L56-T58 VanDerWaalsContact C-N 3.33Å; L56-L59 PolarHBondContact O-N 2.93Å; L56-F60 VanDerWaalsContact O-CB 3.31Å; L56-F60 WeakPolarHBondContact O-CB 3.31Å; L56-F60 PolarHBondContact O-N 3.43Å
57Q76.1Confident65.6Low83 Ų8396.3 Ų96.339%0.38852%0.519SS..Hα-helixtrans-66.1-39.4175.6-60.4-174.38.800110.9F14 D55 F60 K61F14-Q57 HydrophobicContact CD2-CG 4.19Å; F14-Q57 HydrophobicContact CE2-CG 3.97Å; D55-Q57 VanDerWaalsContact C-N 3.26Å; D55-Q57 PolarHBondContact O-N 3Å; D55-Q57 PolarHBondContact OD1-N 3.35Å; D55-Q57 WeakPolarHBondContact OD2-CB 3.47Å; D55-Q57 PolarHBondContact OD2-N 2.71Å; Q57-F60 PolarHBondContact O-N 3.34Å; Q57-K61 WeakPolarHBondContact O-CB 3.44Å; Q57-K61 VanDerWaalsContact O-CG 3.26Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 3.48Å
58T76.1Confident64.9Low76 Ų7697 Ų9747%0.46651%0.512SS..Hα-helixtrans-65.5-44.1176.3-58.30000111.6D55 L56 K61 S62D55-T58 WeakPolarHBondContact O-CA 3.34Å; D55-T58 WeakPolarHBondContact O-CB 3.1Å; D55-T58 PolarHBondContact O-N 3.36Å; D55-T58 WeakPolarHBondContact OD2-CB 3.24Å; D55-T58 PolarHBondContact OD2-N 3.49Å; D55-T58 PolarHBondContact OD2-OG1 3.43Å; L56-T58 VanDerWaalsContact C-N 3.33Å; T58-K61 PolarHBondContact O-N 3.08Å; T58-S62 WeakPolarHBondContact O-CB 3.35Å; T58-S62 PolarHBondContact O-N 3.37Å; T58-S62 PolarHBondContact O-OG 3.4Å
59L75.1Confident64.4Low49 Ų4998.6 Ų98.626%0.25752%0.516SS..Hα-helixtrans-57.2-50.5171.7-81.6166.2000110.9L54 D55 L56 S62 Q63L54-L59 HydrophobicContact CB-CD1 3.94Å; L54-L59 HydrophobicContact CB-CD2 4.36Å; L54-L59 HydrophobicContact CB-CG 3.95Å; L54-L59 HydrophobicContact CD2-CD2 3.47Å; L54-L59 VanDerWaalsContact CD2-CD2 3.47Å; L54-L59 HydrophobicContact CD2-CG 3.74Å; L54-L59 HydrophobicContact CG-CD2 4.49Å; L54-L59 HydrophobicContact CG-CG 4.33Å; D55-L59 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-N 2.91Å; L59-S62 PolarHBondContact O-OG 2.74Å; L59-Q63 WeakPolarHBondContact O-CG 3.47Å; L59-Q63 PolarHBondContact O-N 3.3Å
60F75.7Confident64.1Low142 Ų14298.2 Ų98.262%0.62352%0.517SS*.Hα-helixtrans-60.6-49.9-179.7-174.2-98.9000111.4L56 Q57 S62 Q63 S64L56-F60 VanDerWaalsContact O-CB 3.31Å; L56-F60 WeakPolarHBondContact O-CB 3.31Å; L56-F60 PolarHBondContact O-N 3.43Å; Q57-F60 PolarHBondContact O-N 3.34Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.46Å; F60-Q63 PolarHBondContact O-N 3.02Å; F60-S64 WeakPolarHBondContact CE1-OG 3.45Å; F60-S64 WeakPolarHBondContact O-CB 3.38Å; F60-S64 PolarHBondContact O-N 3.05Å; F60-S64 PolarHBondContact O-OG 2.65Å
61K78.4Confident63.5Low120 Ų12096.2 Ų96.252%0.52251%0.506SS..Hα-helixtrans-56.8-43175.5-74.8172.1-176.5169.80111.6Q57 T58 Q63 S64 Q65Q57-K61 WeakPolarHBondContact O-CB 3.44Å; Q57-K61 VanDerWaalsContact O-CG 3.26Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 3.48Å; T58-K61 PolarHBondContact O-N 3.08Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.31Å; K61-S64 PolarHBondContact O-N 2.85Å; K61-Q65 VanDerWaalsContact O-CB 3.26Å; K61-Q65 WeakPolarHBondContact O-CB 3.43Å; K61-Q65 VanDerWaalsContact O-CG 3.29Å; K61-Q65 WeakPolarHBondContact O-CG 3.4Å; K61-Q65 PolarHBondContact O-N 2.89Å
62S70Confident63.3Low45 Ų45105.6 Ų105.632%0.31553%0.528SS..Hα-helixtrans-63.9-34.417880.10000112.7T58 L59 F60 K66T58-S62 WeakPolarHBondContact O-CB 3.35Å; T58-S62 PolarHBondContact O-N 3.37Å; T58-S62 PolarHBondContact O-OG 3.4Å; L59-S62 PolarHBondContact O-N 2.91Å; L59-S62 PolarHBondContact O-OG 2.74Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.46Å; S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.23Å; S62-K66 PolarHBondContact O-N 3.48Å
63Q68.7Low62.9Low114 Ų114102.4 Ų102.453%0.53352%0.519SS..Hα-helixtrans-80.1-39.2178-65.7-64.7-18.200111.9L59 F60 K61 Q65 K66L59-Q63 WeakPolarHBondContact O-CG 3.47Å; L59-Q63 PolarHBondContact O-N 3.3Å; F60-Q63 PolarHBondContact O-N 3.02Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.31Å; Q63-Q65 VanDerWaalsContact C-N 3.28Å; Q63-Q65 PolarHBondContact O-N 2.94Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 3.46Å
64S65.1Low62.6Low73 Ų73110 Ų11051%0.5155%0.553SS.*Hα-helixtrans-65.5-32.5173.6-54.80000112.1F60 K61F60-S64 WeakPolarHBondContact CE1-OG 3.45Å; F60-S64 WeakPolarHBondContact O-CB 3.38Å; F60-S64 PolarHBondContact O-N 3.05Å; F60-S64 PolarHBondContact O-OG 2.65Å; K61-S64 PolarHBondContact O-N 2.85Å
65Q57.4Low62.4Low162 Ų162108.5 Ų108.576%0.75755%0.549SS*.Hα-helixtrans-84.3-16.4174.8-70.3-172.8-1.300113.7K61 Q63 K67K61-Q65 VanDerWaalsContact O-CB 3.26Å; K61-Q65 WeakPolarHBondContact O-CB 3.43Å; K61-Q65 VanDerWaalsContact O-CG 3.29Å; K61-Q65 WeakPolarHBondContact O-CG 3.4Å; K61-Q65 PolarHBondContact O-N 2.89Å; Q63-Q65 VanDerWaalsContact C-N 3.28Å; Q63-Q65 PolarHBondContact O-N 2.94Å; Q65-K67 PolarHBondContact O-N 3.29Å
66K55.3Low62.7Low135 Ų135109.1 Ų109.159%0.58756%0.557SS**  trans-71.160.6160.5-78.1171.4-176.5176.50109.8S62 Q63S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.23Å; S62-K66 PolarHBondContact O-N 3.48Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 3.46Å
67K48.7Very low63Low175 Ų175112.9 Ų112.976%0.76157%0.573SS**  trans-48.3128.9140.9-149172.7-168.81770104.3Q65 N69Q65-K67 PolarHBondContact O-N 3.29Å; K67-N69 PolarHBondContact O-N 3.47Å
68P47.1Very low63.6Low80 Ų80116.4 Ų116.452%0.51959%0.589SS.*  trans-60.892.4-179.615.7-21000107.5I70 Y115P68-I70 HydrophobicContact CB-CD1 4.19Å; P68-I70 HydrophobicContact CB-CG1 4.08Å; P68-I70 PolarHBondContact O-N 2.93Å; P68-Y115 WeakPolarHBondContact CG-OH 3.47Å; P68-Y115 PolarHBondContact O-OH 3.08Å
69N43.8Very low64.3Low153 Ų153114.7 Ų114.782%0.81858%0.579SS**  trans-80.657.3165-156.315000105K67K67-N69 PolarHBondContact O-N 3.47Å
70I48.8Very low65.1Low104 Ų104117.1 Ų117.153%0.53359%0.588SS.*  trans-58.2126.5153-58168.5000102.4P68 R72P68-I70 HydrophobicContact CB-CD1 4.19Å; P68-I70 HydrophobicContact CB-CG1 4.08Å; P68-I70 PolarHBondContact O-N 2.93Å; I70-R72 PolarHBondContact O-N 3.38Å
71P39.4Very low65.9Low99 Ų99114.2 Ų114.264%0.64359%0.585SS**  trans-45.8122174.7-22.430.3000106.6S73P71-S73 PolarHBondContact O-N 3.06Å
72R50.8Low66.7Low242 Ų242113.7 Ų113.791%0.91359%0.585SS**  trans-69.955.9175.5-154.8-176.1-162.2-175.63.9107.5I70 E74I70-R72 PolarHBondContact O-N 3.38Å; R72-E74 PolarHBondContact O-N 2.91Å
73S54.6Low68Low94 Ų94111.7 Ų111.766%0.65757%0.571SS**  trans-60.5110.815954.60000103.5P71P71-S73 PolarHBondContact O-N 3.06Å
74E58.6Low69.3Low173 Ų173109 Ų10981%0.80856%0.559SS**PPolyproline II helixtrans-46.2129.2170.3-68.1-170.5155.200107.1R72 S76R72-E74 PolarHBondContact O-N 2.91Å; E74-S76 PolarHBondContact O-N 3.35Å
75P66.1Low70.8Confident62 Ų62108.2 Ų108.240%0.40356%0.557SS.*PPolyproline II helixtrans-48.6135176.3-22.129.6000107.7E77 T79P75-E77 PolarHBondContact O-N 3.32Å; P75-T79 HydrophobicContact CB-CG2 4.04Å
76S81.6Confident72.8Confident58 Ų58101.9 Ų101.941%0.40653%0.528SS..PPolyproline II helixtrans-50.8147175.466.20000108.9E74 E78 T79 K80E74-S76 PolarHBondContact O-N 3.35Å; S76-E78 CarbonylContact O-C 3.56Å; S76-E78 PolarHBondContact O-N 2.9Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 PolarHBondContact O-N 3.35Å; S76-T79 PolarHBondContact OG-N 3.32Å; S76-T79 VanDerWaalsContact OG-N 3.17Å; S76-T79 PolarHBondContact OG-OG1 2.93Å; S76-K80 PolarHBondContact O-N 2.96Å
77E85.8Confident74.8Confident132 Ų13296.9 Ų96.962%0.61751%0.506SS*.Hα-helixtrans-57.1-27.9-178-150.762.8-161.800111P75 K80 S81P75-E77 PolarHBondContact O-N 3.32Å; E77-K80 IonicContact OE1-NZ 3.41Å; E77-K80 PolarHBondContact OE1-NZ 3.1Å; E77-K80 IonicContact OE2-NZ 2.96Å; E77-S81 WeakPolarHBondContact O-CB 3.41Å; E77-S81 PolarHBondContact O-N 3.12Å
78E89.3Confident77.1Confident156 Ų15692.7 Ų92.773%0.72949%0.492SS*.Hα-helixtrans-61.6-48.6168.3-62.7179.6174.800113.4S76 S81 M82S76-E78 CarbonylContact O-C 3.56Å; S76-E78 PolarHBondContact O-N 2.9Å; E78-S81 PolarHBondContact O-N 3.11Å; E78-M82 VanDerWaalsContact O-CB 3.31Å; E78-M82 WeakPolarHBondContact O-CB 3.5Å; E78-M82 PolarHBondContact O-N 3.5Å
79T90.6Very high79.6Confident40 Ų4094 Ų9425%0.24549%0.491CS..Hα-helixtrans-62.3-44.4178-570000110.9P75 S76 M82 S83 L112P75-T79 HydrophobicContact CB-CG2 4.04Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 PolarHBondContact O-N 3.35Å; S76-T79 PolarHBondContact OG-N 3.32Å; S76-T79 VanDerWaalsContact OG-N 3.17Å; S76-T79 PolarHBondContact OG-OG1 2.93Å; T79-M82 PolarHBondContact O-N 2.87Å; T79-S83 WeakPolarHBondContact O-CB 3.47Å; T79-S83 PolarHBondContact O-N 3.48Å; T79-S83 PolarHBondContact O-OG 3.29Å; T79-L112 HydrophobicContact CG2-CB 3.98Å; T79-L112 VanDerWaalsContact CG2-O 3.22Å; T79-L112 WeakPolarHBondContact CG2-O 3.44Å
80K90.3Very high82.2Confident101 Ų10186.7 Ų86.744%0.43945%0.452SS..Hα-helixtrans-62-48.6176.8-176.6-179.3167.5-159.60110.9S76 E77 M82 S83 E84S76-K80 PolarHBondContact O-N 2.96Å; E77-K80 IonicContact OE1-NZ 3.41Å; E77-K80 PolarHBondContact OE1-NZ 3.1Å; E77-K80 IonicContact OE2-NZ 2.96Å; K80-M82 VanDerWaalsContact C-N 3.34Å; K80-M82 PolarHBondContact O-N 3.33Å; K80-S83 PolarHBondContact O-N 3.1Å; K80-S83 PolarHBondContact O-OG 3.45Å; K80-E84 WeakPolarHBondContact O-CB 3.4Å; K80-E84 WeakPolarHBondContact O-CG 3.2Å; K80-E84 PolarHBondContact O-N 3.25Å
81S94Very high84.5Confident80 Ų8084.2 Ų84.256%0.55944%0.44SS*.Hα-helixtrans-58-44.2175.6-176.90000112.2E77 E78 E84 A85E77-S81 WeakPolarHBondContact O-CB 3.41Å; E77-S81 PolarHBondContact O-N 3.12Å; E78-S81 PolarHBondContact O-N 3.11Å; S81-E84 PolarHBondContact O-N 3.47Å; S81-A85 WeakPolarHBondContact O-CB 3.44Å; S81-A85 PolarHBondContact O-N 2.98Å
82M95.6Very high87.3Confident109 Ų10983.9 Ų83.954%0.53743%0.43SS..Hα-helixtrans-65.9-43.3178.4-171.2-179.8-65.300112.3E78 T79 K80 E84 A85 L86 L112E78-M82 VanDerWaalsContact O-CB 3.31Å; E78-M82 WeakPolarHBondContact O-CB 3.5Å; E78-M82 PolarHBondContact O-N 3.5Å; T79-M82 PolarHBondContact O-N 2.87Å; K80-M82 VanDerWaalsContact C-N 3.34Å; K80-M82 PolarHBondContact O-N 3.33Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-E84 PolarHBondContact O-N 2.89Å; M82-A85 PolarHBondContact O-N 3.44Å; M82-L86 HydrophobicContact CG-CD1 4.42Å; M82-L86 WeakPolarHBondContact O-CG 3.34Å; M82-L86 PolarHBondContact O-N 3.11Å; M82-L112 HydrophobicContact CB-CD1 3.94Å; M82-L112 HydrophobicContact CG-CD1 3.58Å; M82-L112 HydrophobicContact SD-CD1 3.69Å
83S96Very high89.6Confident3 Ų372.7 Ų72.72%0.02139%0.389CS..Hα-helixtrans-63.3-38.3176.374.30000112.1T79 K80 L86 K87 A109T79-S83 WeakPolarHBondContact O-CB 3.47Å; T79-S83 PolarHBondContact O-N 3.48Å; T79-S83 PolarHBondContact O-OG 3.29Å; K80-S83 PolarHBondContact O-N 3.1Å; K80-S83 PolarHBondContact O-OG 3.45Å; S83-L86 PolarHBondContact O-N 3.47Å; S83-K87 PolarHBondContact O-N 2.92Å; S83-A109 WeakPolarHBondContact O-CB 3.44Å
84E95.5Very high91.7Very high59 Ų5970.3 Ų70.328%0.27637%0.368SS..Hα-helixtrans-67.5-40.8175.3-79.9-71.1128.800112.1K80 S81 M82 K87 N88K80-E84 WeakPolarHBondContact O-CB 3.4Å; K80-E84 WeakPolarHBondContact O-CG 3.2Å; K80-E84 PolarHBondContact O-N 3.25Å; S81-E84 PolarHBondContact O-N 3.47Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-E84 PolarHBondContact O-N 2.89Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.57Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; E84-K87 VanDerWaalsContact OE2-CE 3.32Å; E84-K87 WeakPolarHBondContact OE2-CE 3.45Å; E84-K87 IonicContact OE2-NZ 3.88Å; E84-K87 PolarHBondContact OE2-NZ 3.19Å; E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 3.41Å; E84-N88 PolarHBondContact O-ND2 3.22Å
85A97.5Very high93.6Very high56 Ų5670 Ų7046%0.46336%0.364SS..Hα-helixtrans-61.2-43.9173.500000111.7S81 M82 N88 Q89S81-A85 WeakPolarHBondContact O-CB 3.44Å; S81-A85 PolarHBondContact O-N 2.98Å; M82-A85 PolarHBondContact O-N 3.44Å; A85-N88 PolarHBondContact O-N 3.16Å; A85-Q89 PolarHBondContact O-N 2.94Å
86L98.2Very high95.1Very high28 Ų2871.4 Ų71.415%0.14737%0.365CS..Hα-helixtrans-63.2-42.4175.1-75.8163.7000112.2M82 S83 N88 Q89 G90 C105 K108 A109 L112M82-L86 HydrophobicContact CG-CD1 4.42Å; M82-L86 WeakPolarHBondContact O-CG 3.34Å; M82-L86 PolarHBondContact O-N 3.11Å; S83-L86 PolarHBondContact O-N 3.47Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 3.22Å; L86-Q89 PolarHBondContact O-N 3.18Å; L86-G90 PolarHBondContact O-N 3.01Å; L86-C105 WeakPolarHBondContact O-CB 3.38Å; L86-K108 HydrophobicContact CD1-CB 3.78Å; L86-K108 HydrophobicContact CD2-CB 4.09Å; L86-K108 HydrophobicContact CD2-CD 4.24Å; L86-K108 HydrophobicContact CG-CB 4.5Å; L86-A109 HydrophobicContact CB-CB 3.92Å; L86-L112 HydrophobicContact CD1-CD1 3.6Å
87K98Very high95.9Very high30 Ų3074.6 Ų74.613%0.1337%0.373CS..Hα-helixtrans-57.8-45.5171.9178.2-16060.6-1660110.9S83 E84 Q89 G90 N91 Y106 V118 F119S83-K87 PolarHBondContact O-N 2.92Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.57Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; E84-K87 VanDerWaalsContact OE2-CE 3.32Å; E84-K87 WeakPolarHBondContact OE2-CE 3.45Å; E84-K87 IonicContact OE2-NZ 3.88Å; E84-K87 PolarHBondContact OE2-NZ 3.19Å; K87-Q89 VanDerWaalsContact C-N 3.35Å; K87-G90 PolarHBondContact O-N 2.98Å; K87-N91 VanDerWaalsContact O-CG 3.27Å; K87-N91 PolarHBondContact O-N 3.42Å; K87-N91 PolarHBondContact O-ND2 2.85Å; K87-Y106 HydrophobicContact CG-CD1 4.5Å; K87-Y106 HydrophobicContact CG-CE1 4.19Å; K87-Y106 WeakPolarHBondContact O-CE1 3.34Å; K87-V118 HydrophobicContact CD-CG1 4.07Å; K87-F119 HydrophobicContact CB-CD1 3.94Å; K87-F119 HydrophobicContact CB-CE1 3.66Å; K87-F119 HydrophobicContact CD-CD1 3.99Å; K87-F119 HydrophobicContact CD-CE1 3.79Å; K87-F119 HydrophobicContact CG-CD1 3.99Å; K87-F119 HydrophobicContact CG-CE1 4Å
88N98.3Very high96.5Very high88 Ų8872.6 Ų72.647%0.47136%0.363SS..Hα-helixtrans-66.3-37.8-179.3-69.9-25.4000112.2E84 A85 L86 N91 Q92E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 3.41Å; E84-N88 PolarHBondContact O-ND2 3.22Å; A85-N88 PolarHBondContact O-N 3.16Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 3.22Å; N88-N91 WeakPolarHBondContact O-CB 3.06Å; N88-N91 PolarHBondContact O-N 3.15Å; N88-Q92 PolarHBondContact O-N 2.85Å
89Q98.2Very high96.9Very high107 Ų10766.6 Ų66.650%0.533%0.334SS..Hα-helixtrans-61.8-45.4170.7-174.2179.1-14.900111.2A85 L86 K87 N91 Q92 C93A85-Q89 PolarHBondContact O-N 2.94Å; L86-Q89 PolarHBondContact O-N 3.18Å; K87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 2.8Å; Q89-Q92 WeakPolarHBondContact O-CB 3.04Å; Q89-Q92 PolarHBondContact O-N 2.69Å; Q89-C93 PolarHBondContact O-N 2.92Å; Q89-C93 PolarHBondContact O-SG 3.24Å
90G98.4Very high97.3Very high0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-58.6-42174.300000112.6L86 K87 Q92 C93 M94 A102 Y106L86-G90 PolarHBondContact O-N 3.01Å; K87-G90 PolarHBondContact O-N 2.98Å; G90-Q92 VanDerWaalsContact C-N 3.28Å; G90-Q92 PolarHBondContact O-N 3.47Å; G90-C93 WeakPolarHBondContact O-CB 3.08Å; G90-C93 PolarHBondContact O-N 3.22Å; G90-M94 WeakPolarHBondContact O-CG 3.09Å; G90-M94 PolarHBondContact O-N 3.3Å; G90-A102 WeakPolarHBondContact O-CB 3.33Å; G90-Y106 PolarHBondContact O-OH 3.25Å
91N98.4Very high97.6Very high51 Ų5166.8 Ų66.827%0.27335%0.346SS..Hα-helixtrans-62.3-36.2175-70-26.2000111.7K87 N88 Q89 M94 K95 Y106 N122K87-N91 VanDerWaalsContact O-CG 3.27Å; K87-N91 PolarHBondContact O-N 3.42Å; K87-N91 PolarHBondContact O-ND2 2.85Å; N88-N91 WeakPolarHBondContact O-CB 3.06Å; N88-N91 PolarHBondContact O-N 3.15Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 2.8Å; N91-M94 WeakPolarHBondContact O-CB 3.04Å; N91-M94 PolarHBondContact O-N 3.2Å; N91-K95 WeakPolarHBondContact O-CG 3.1Å; N91-K95 PolarHBondContact O-N 2.62Å; N91-K95 VanDerWaalsContact O-N 3.14Å; N91-Y106 WeakPolarHBondContact CA-OH 3.19Å; N91-Y106 PolarHBondContact N-OH 2.67Å; N91-Y106 VanDerWaalsContact N-OH 3.14Å; N91-Y106 PolarHBondContact OD1-OH 2.97Å; N91-N122 PolarHBondContact OD1-ND2 3.44Å
92Q98.5Very high97.9Very high93 Ų9363 Ų6344%0.43532%0.319SS..Hα-helixtrans-69.8-41.9175.5-174.462.99.200111.5N88 Q89 G90 M94 K95 Q96N88-Q92 PolarHBondContact O-N 2.85Å; Q89-Q92 WeakPolarHBondContact O-CB 3.04Å; Q89-Q92 PolarHBondContact O-N 2.69Å; G90-Q92 VanDerWaalsContact C-N 3.28Å; G90-Q92 PolarHBondContact O-N 3.47Å; Q92-M94 VanDerWaalsContact C-N 3.29Å; Q92-M94 PolarHBondContact O-N 2.82Å; Q92-K95 PolarHBondContact O-N 3.31Å; Q92-Q96 WeakPolarHBondContact O-CG 3.34Å; Q92-Q96 PolarHBondContact O-N 3.04Å
93C98.2Very high98Very high7 Ų758.9 Ų58.95%0.04730%0.3CS..Hα-helixtrans-59.5-39.8172-66.90000111.4Q89 G90 K95 Q96 E97 K98 E101 A102Q89-C93 PolarHBondContact O-N 2.92Å; Q89-C93 PolarHBondContact O-SG 3.24Å; G90-C93 WeakPolarHBondContact O-CB 3.08Å; G90-C93 PolarHBondContact O-N 3.22Å; C93-K95 PolarHBondContact O-N 3.49Å; C93-Q96 CarbonylContact O-C 3.6Å; C93-Q96 PolarHBondContact O-N 3.32Å; C93-E97 PolarHBondContact O-N 2.97Å; C93-E97 VanDerWaalsContact O-N 3.15Å; C93-K98 HydrophobicContact CB-CB 4.21Å; C93-K98 PolarHBondContact O-N 3.48Å; C93-E101 HydrophobicContact CB-CB 4.14Å; C93-A102 HydrophobicContact CB-CB 3.83Å
94M98.4Very high98.1Very high44 Ų4461 Ų6122%0.21732%0.318CS..Hα-helixtrans-59.3-44.3173.9-72.3-65.8-70.200112.5G90 N91 Q92 Q96 E97 F99 A102 Y106 A125 A126 R129G90-M94 WeakPolarHBondContact O-CG 3.09Å; G90-M94 PolarHBondContact O-N 3.3Å; N91-M94 WeakPolarHBondContact O-CB 3.04Å; N91-M94 PolarHBondContact O-N 3.2Å; Q92-M94 VanDerWaalsContact C-N 3.29Å; Q92-M94 PolarHBondContact O-N 2.82Å; M94-Q96 VanDerWaalsContact C-N 3.26Å; M94-Q96 PolarHBondContact O-N 2.97Å; M94-E97 PolarHBondContact O-N 3.37Å; M94-E97 VanDerWaalsContact O-N 3.12Å; M94-F99 HydrophobicContact CE-CD1 4.26Å; M94-F99 HydrophobicContact CE-CE1 4.44Å; M94-F99 HydrophobicContact SD-CD1 3.81Å; M94-F99 HydrophobicContact SD-CE1 4.42Å; M94-A102 HydrophobicContact CG-CB 3.76Å; M94-A102 HydrophobicContact SD-CB 3.73Å; M94-Y106 HydrophobicContact CG-CE2 4.16Å; M94-Y106 WeakPolarHBondContact CG-OH 3.46Å; M94-A125 HydrophobicContact CE-CB 3.97Å; M94-A126 HydrophobicContact CE-CB 4.48Å; M94-A126 HydrophobicContact SD-CB 3.6Å; M94-A126 VanDerWaalsContact SD-CB 3.6Å; M94-R129 HydrophobicContact CE-CG 4.33Å
95K98.2Very high98.3Very high166 Ų16658.6 Ų58.672%0.72231%0.308SS*.Hα-helixtrans-65.9-29.1177.3-70.6176.3-177.4179.60112.9N91 Q92 C93 E97N91-K95 WeakPolarHBondContact O-CG 3.1Å; N91-K95 PolarHBondContact O-N 2.62Å; N91-K95 VanDerWaalsContact O-N 3.14Å; Q92-K95 PolarHBondContact O-N 3.31Å; C93-K95 PolarHBondContact O-N 3.49Å; K95-E97 VanDerWaalsContact C-N 3.27Å
96Q98.1Very high98.3Very high91 Ų9156.1 Ų56.143%0.42529%0.286SS..THydrogen-bonded Turntrans-86.85.5175.4-66.2176.511.800113Q92 C93 M94 K98Q92-Q96 WeakPolarHBondContact O-CG 3.34Å; Q92-Q96 PolarHBondContact O-N 3.04Å; C93-Q96 CarbonylContact O-C 3.6Å; C93-Q96 PolarHBondContact O-N 3.32Å; M94-Q96 VanDerWaalsContact C-N 3.26Å; M94-Q96 PolarHBondContact O-N 2.97Å; Q96-K98 HydrophobicContact CB-CD 4.05Å; Q96-K98 HydrophobicContact CB-CG 4.17Å; Q96-K98 PolarHBondContact O-N 3.27Å; Q96-K98 VanDerWaalsContact O-N 3.13Å
97E97.7Very high98.3Very high126 Ų12656 Ų5659%0.58929%0.288SS*.THydrogen-bonded Turntrans58.820-175.6-52.9-163.4130.900114.9C93 M94 K95 F99 R129C93-E97 PolarHBondContact O-N 2.97Å; C93-E97 VanDerWaalsContact O-N 3.15Å; M94-E97 PolarHBondContact O-N 3.37Å; M94-E97 VanDerWaalsContact O-N 3.12Å; K95-E97 VanDerWaalsContact C-N 3.27Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 HydrophobicContact CB-CE1 4.26Å; E97-F99 HydrophobicContact CB-CE2 4.05Å; E97-F99 HydrophobicContact CB-CZ 3.63Å; E97-F99 HydrophobicContact CG-CZ 3.98Å; E97-F99 WeakPolarHBondContact O-CD2 3.17Å; E97-F99 WeakPolarHBondContact O-CE2 3.17Å; E97-F99 PolarHBondContact O-N 3.23Å; E97-F99 VanDerWaalsContact O-N 3.12Å; E97-R129 IonicContact OE1-NH2 2.93Å; E97-R129 PolarHBondContact OE1-NH2 3.25Å; E97-R129 VanDerWaalsContact OE1-NH2 3.15Å
98K98.4Very high98.3Very high90 Ų9060.1 Ų60.139%0.39131%0.306SS..  trans-87.868174.8-65.7170.8174.2179.10110.1C93 Q96 G100 E101 A102C93-K98 HydrophobicContact CB-CB 4.21Å; C93-K98 PolarHBondContact O-N 3.48Å; Q96-K98 HydrophobicContact CB-CD 4.05Å; Q96-K98 HydrophobicContact CB-CG 4.17Å; Q96-K98 PolarHBondContact O-N 3.27Å; Q96-K98 VanDerWaalsContact O-N 3.13Å; K98-G100 PolarHBondContact O-N 3.08Å; K98-E101 HydrophobicContact CB-CB 4.19Å; K98-E101 HydrophobicContact CB-CG 4.38Å; K98-E101 WeakPolarHBondContact CD-OE1 3.3Å; K98-E101 PolarHBondContact O-N 3.2Å; K98-A102 PolarHBondContact O-N 2.93Å
99F98.4Very high98.3Very high29 Ų2956 Ų5613%0.12728%0.284CS..Hα-helixtrans-64.3-36.9-170.2-51.1-56.8000113.5M94 E97 E101 A102 V103 R129 L130M94-F99 HydrophobicContact CE-CD1 4.26Å; M94-F99 HydrophobicContact CE-CE1 4.44Å; M94-F99 HydrophobicContact SD-CD1 3.81Å; M94-F99 HydrophobicContact SD-CE1 4.42Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 HydrophobicContact CB-CE1 4.26Å; E97-F99 HydrophobicContact CB-CE2 4.05Å; E97-F99 HydrophobicContact CB-CZ 3.63Å; E97-F99 HydrophobicContact CG-CZ 3.98Å; E97-F99 WeakPolarHBondContact O-CD2 3.17Å; E97-F99 WeakPolarHBondContact O-CE2 3.17Å; E97-F99 PolarHBondContact O-N 3.23Å; E97-F99 VanDerWaalsContact O-N 3.12Å; F99-E101 PolarHBondContact O-N 2.57Å; F99-A102 WeakPolarHBondContact O-CB 3.43Å; F99-A102 PolarHBondContact O-N 3.2Å; F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 3.23Å; F99-R129 HydrophobicContact CB-CB 4.29Å; F99-R129 HydrophobicContact CD1-CB 3.59Å; F99-R129 HydrophobicContact CD1-CG 3.96Å; F99-R129 HydrophobicContact CD2-CB 3.69Å; F99-R129 HydrophobicContact CE1-CB 3.79Å; F99-R129 HydrophobicContact CE1-CG 3.81Å; F99-R129 HydrophobicContact CE2-CB 3.88Å; F99-R129 HydrophobicContact CG-CB 3.56Å; F99-R129 HydrophobicContact CG-CG 4.43Å; F99-R129 HydrophobicContact CZ-CB 3.95Å; F99-R129 HydrophobicContact CZ-CG 4.15Å; F99-L130 HydrophobicContact CB-CD1 4.1Å; F99-L130 HydrophobicContact CB-CD2 3.8Å; F99-L130 HydrophobicContact CB-CG 3.69Å
100G98.3Very high98.2Very high45 Ų4551.6 Ų51.646%0.46426%0.264SS..Hα-helixtrans-62.7-42.3175.800000113.1K98 A102 V103 A104K98-G100 PolarHBondContact O-N 3.08Å; G100-A102 VanDerWaalsContact C-N 3.32Å; G100-A102 PolarHBondContact O-N 2.92Å; G100-V103 PolarHBondContact O-N 3.45Å; G100-A104 PolarHBondContact O-N 3.22Å; G100-A104 VanDerWaalsContact O-N 3.09Å
101E98.3Very high98Very high100 Ų10058.9 Ų58.947%0.46730%0.298SS..Hα-helixtrans-66-36.3174.2-66.7177.4-141.600111.5C93 K98 F99 A104 C105C93-E101 HydrophobicContact CB-CB 4.14Å; K98-E101 HydrophobicContact CB-CB 4.19Å; K98-E101 HydrophobicContact CB-CG 4.38Å; K98-E101 WeakPolarHBondContact CD-OE1 3.3Å; K98-E101 PolarHBondContact O-N 3.2Å; F99-E101 PolarHBondContact O-N 2.57Å; E101-A104 PolarHBondContact O-N 2.93Å; E101-C105 PolarHBondContact O-N 3.14Å; E101-C105 PolarHBondContact O-SG 2.9Å
102A98.6Very high97.8Very high0 Ų059.3 Ų59.30%030%0.299CS..Hα-helixtrans-62-46174.500000111.6G90 C93 M94 K98 F99 G100 A104 C105 Y106 A126G90-A102 WeakPolarHBondContact O-CB 3.33Å; C93-A102 HydrophobicContact CB-CB 3.83Å; M94-A102 HydrophobicContact CG-CB 3.76Å; M94-A102 HydrophobicContact SD-CB 3.73Å; K98-A102 PolarHBondContact O-N 2.93Å; F99-A102 WeakPolarHBondContact O-CB 3.43Å; F99-A102 PolarHBondContact O-N 3.2Å; G100-A102 VanDerWaalsContact C-N 3.32Å; G100-A102 PolarHBondContact O-N 2.92Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.32Å; A102-C105 PolarHBondContact O-N 2.83Å; A102-Y106 HydrophobicContact CB-CD2 4.45Å; A102-Y106 HydrophobicContact CB-CE2 3.92Å; A102-Y106 WeakPolarHBondContact O-CD2 2.95Å; A102-Y106 PolarHBondContact O-N 2.74Å; A102-A126 HydrophobicContact CB-CB 4.18Å
103V98.7Very high97.4Very high23 Ų2355.6 Ų55.614%0.13928%0.284CS..Hα-helixtrans-56.2-44.8174.1172.10000111F99 G100 Y106 S107 R123 A126 L130F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 3.23Å; G100-V103 PolarHBondContact O-N 3.45Å; V103-Y106 PolarHBondContact O-N 3.2Å; V103-S107 VanDerWaalsContact O-CB 3.32Å; V103-S107 WeakPolarHBondContact O-CB 3.43Å; V103-S107 PolarHBondContact O-N 3.32Å; V103-S107 PolarHBondContact O-OG 2.91Å; V103-R123 HydrophobicContact CG1-CG 4.25Å; V103-A126 HydrophobicContact CG2-CB 3.55Å; V103-L130 HydrophobicContact CG2-CD1 3.96Å
104A98.5Very high97.2Very high48 Ų4857.7 Ų57.740%0.39730%0.297SS..Hα-helixtrans-63-42.5178.400000112.2G100 E101 A102 S107 K108G100-A104 PolarHBondContact O-N 3.22Å; G100-A104 VanDerWaalsContact O-N 3.09Å; E101-A104 PolarHBondContact O-N 2.93Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.32Å; A104-S107 PolarHBondContact O-N 3.4Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å; A104-K108 PolarHBondContact O-N 3.26Å; A104-K108 VanDerWaalsContact O-N 3.11Å
105C98.4Very high96.9Very high9 Ų962 Ų626%0.06131%0.312CS..Hα-helixtrans-64.4-46.7177.8-66.30000112L86 E101 A102 S107 K108 A109L86-C105 WeakPolarHBondContact O-CB 3.38Å; E101-C105 PolarHBondContact O-N 3.14Å; E101-C105 PolarHBondContact O-SG 2.9Å; A102-C105 PolarHBondContact O-N 2.83Å; C105-S107 VanDerWaalsContact C-N 3.34Å; C105-S107 PolarHBondContact O-N 3.39Å; C105-K108 PolarHBondContact O-N 3.44Å; C105-A109 PolarHBondContact O-N 3.31Å
106Y98.6Very high96.6Very high3 Ų356.1 Ų56.11%0.01229%0.289CS..Hα-helixtrans-66.7-35.8177.9-59.4-48.4000112.5K87 G90 N91 M94 A102 V103 A109 I110 N122 R123 A126K87-Y106 HydrophobicContact CG-CD1 4.5Å; K87-Y106 HydrophobicContact CG-CE1 4.19Å; K87-Y106 WeakPolarHBondContact O-CE1 3.34Å; G90-Y106 PolarHBondContact O-OH 3.25Å; N91-Y106 WeakPolarHBondContact CA-OH 3.19Å; N91-Y106 PolarHBondContact N-OH 2.67Å; N91-Y106 VanDerWaalsContact N-OH 3.14Å; N91-Y106 PolarHBondContact OD1-OH 2.97Å; M94-Y106 HydrophobicContact CG-CE2 4.16Å; M94-Y106 WeakPolarHBondContact CG-OH 3.46Å; A102-Y106 HydrophobicContact CB-CD2 4.45Å; A102-Y106 HydrophobicContact CB-CE2 3.92Å; A102-Y106 WeakPolarHBondContact O-CD2 2.95Å; A102-Y106 PolarHBondContact O-N 2.74Å; V103-Y106 PolarHBondContact O-N 3.2Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.92Å; Y106-I110 VanDerWaalsContact O-CG1 3.27Å; Y106-I110 WeakPolarHBondContact O-CG1 3.24Å; Y106-I110 PolarHBondContact O-N 3.39Å; Y106-N122 HydrophobicContact CD1-CB 3.96Å; Y106-N122 HydrophobicContact CD2-CB 4.21Å; Y106-N122 HydrophobicContact CE1-CB 3.63Å; Y106-N122 HydrophobicContact CE2-CB 3.89Å; Y106-N122 WeakPolarHBondContact CE2-O 3.33Å; Y106-N122 HydrophobicContact CG-CB 4.25Å; Y106-R123 HydrophobicContact CD2-CB 4.09Å; Y106-R123 HydrophobicContact CG-CB 4.29Å; Y106-A126 HydrophobicContact CE2-CB 4.37Å
107S98.4Very high96.5Very high26 Ų2652.2 Ų52.218%0.18227%0.272CS..Hα-helixtrans-63.1-43.5176.7-59.20000111.5V103 A104 C105 A109 I110 E111 R123V103-S107 VanDerWaalsContact O-CB 3.32Å; V103-S107 WeakPolarHBondContact O-CB 3.43Å; V103-S107 PolarHBondContact O-N 3.32Å; V103-S107 PolarHBondContact O-OG 2.91Å; A104-S107 PolarHBondContact O-N 3.4Å; C105-S107 VanDerWaalsContact C-N 3.34Å; C105-S107 PolarHBondContact O-N 3.39Å; S107-A109 VanDerWaalsContact C-N 3.34Å; S107-A109 PolarHBondContact O-N 3.21Å; S107-I110 WeakPolarHBondContact O-CB 3.06Å; S107-I110 PolarHBondContact O-N 3.44Å; S107-E111 WeakPolarHBondContact O-CG 3.35Å; S107-E111 PolarHBondContact O-N 2.62Å; S107-R123 VanDerWaalsContact OG-CD 3.28Å; S107-R123 WeakPolarHBondContact OG-CD 3.44Å; S107-R123 PolarHBondContact OG-NH1 2.89Å
108K97.7Very high96.5Very high117 Ų11748.3 Ų48.351%0.50926%0.257SS..Hα-helixtrans-62.6-38.5172.1-69177.4179.7-178.10112.5L86 A104 C105 I110 E111 L112L86-K108 HydrophobicContact CD1-CB 3.78Å; L86-K108 HydrophobicContact CD2-CB 4.09Å; L86-K108 HydrophobicContact CD2-CD 4.24Å; L86-K108 HydrophobicContact CG-CB 4.5Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å; A104-K108 PolarHBondContact O-N 3.26Å; A104-K108 VanDerWaalsContact O-N 3.11Å; C105-K108 PolarHBondContact O-N 3.44Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.02Å; K108-E111 PolarHBondContact O-N 3.33Å; K108-L112 WeakPolarHBondContact O-CG 3.35Å; K108-L112 PolarHBondContact O-N 3.13Å
109A97.3Very high96.5Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-63.2-3917500000112S83 L86 C105 Y106 S107 L112 S113 F119S83-A109 WeakPolarHBondContact O-CB 3.44Å; L86-A109 HydrophobicContact CB-CB 3.92Å; C105-A109 PolarHBondContact O-N 3.31Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.92Å; S107-A109 VanDerWaalsContact C-N 3.34Å; S107-A109 PolarHBondContact O-N 3.21Å; A109-L112 PolarHBondContact O-N 3.43Å; A109-S113 PolarHBondContact O-N 3.13Å; A109-F119 HydrophobicContact CB-CD1 4.36Å; A109-F119 HydrophobicContact CB-CD2 3.9Å; A109-F119 HydrophobicContact CB-CE1 4.45Å; A109-F119 HydrophobicContact CB-CE2 4Å; A109-F119 HydrophobicContact CB-CG 4.1Å; A109-F119 HydrophobicContact CB-CZ 4.28Å; A109-F119 WeakPolarHBondContact O-CE2 3.42Å
110I96.6Very high96.5Very high16 Ų1644 Ų448%0.08224%0.237CC..Hα-helixtrans-66.1-41.4175.8-70.2162.7000111.2Y106 S107 K108 L112 S113 P114 F119 Y120Y106-I110 VanDerWaalsContact O-CG1 3.27Å; Y106-I110 WeakPolarHBondContact O-CG1 3.24Å; Y106-I110 PolarHBondContact O-N 3.39Å; S107-I110 WeakPolarHBondContact O-CB 3.06Å; S107-I110 PolarHBondContact O-N 3.44Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.02Å; I110-L112 VanDerWaalsContact C-N 3.28Å; I110-L112 PolarHBondContact O-N 3.26Å; I110-S113 CarbonylContact O-C 3.28Å; I110-S113 VanDerWaalsContact O-C 3.24Å; I110-S113 PolarHBondContact O-N 2.84Å; I110-P114 WeakPolarHBondContact O-CA 3.41Å; I110-F119 HydrophobicContact CD1-CB 4.27Å; I110-F119 HydrophobicContact CG1-CB 3.6Å; I110-F119 HydrophobicContact CG1-CD2 4.42Å; I110-Y120 HydrophobicContact CD1-CD1 3.84Å; I110-Y120 HydrophobicContact CD1-CD2 4.46Å; I110-Y120 HydrophobicContact CD1-CE1 3.99Å; I110-Y120 HydrophobicContact CD1-CG 4.11Å; I110-Y120 HydrophobicContact CG1-CD2 4.4Å; I110-Y120 HydrophobicContact CG1-CE1 4.36Å; I110-Y120 HydrophobicContact CG1-CE2 4.24Å; I110-Y120 HydrophobicContact CG2-CE1 3.91Å; I110-Y120 HydrophobicContact CG2-CE2 4.23Å; I110-Y120 WeakPolarHBondContact CG2-OH 3.34Å
111E95.3Very high96.5Very high153 Ų15341.9 Ų41.972%0.71522%0.215SC*.Hα-helixtrans-58.4-40.3175.8-73.4168.4-168.900112.1S107 K108S107-E111 WeakPolarHBondContact O-CG 3.35Å; S107-E111 PolarHBondContact O-N 2.62Å; K108-E111 PolarHBondContact O-N 3.33Å
112L93.1Very high96.5Very high59 Ų5938.1 Ų38.131%0.30920%0.198SC..Hα-helixtrans-76.5-30.4177.5-65.4179.9000113.4T79 M82 L86 K108 A109 I110T79-L112 HydrophobicContact CG2-CB 3.98Å; T79-L112 VanDerWaalsContact CG2-O 3.22Å; T79-L112 WeakPolarHBondContact CG2-O 3.44Å; M82-L112 HydrophobicContact CB-CD1 3.94Å; M82-L112 HydrophobicContact CG-CD1 3.58Å; M82-L112 HydrophobicContact SD-CD1 3.69Å; L86-L112 HydrophobicContact CD1-CD1 3.6Å; K108-L112 WeakPolarHBondContact O-CG 3.35Å; K108-L112 PolarHBondContact O-N 3.13Å; A109-L112 PolarHBondContact O-N 3.43Å; I110-L112 VanDerWaalsContact C-N 3.28Å; I110-L112 PolarHBondContact O-N 3.26Å
113S91.5Very high96.5Very high15 Ų1540.3 Ų40.311%0.10521%0.206CC..  trans-149.281-173.2-81.50000110.4A109 I110 Y115A109-S113 PolarHBondContact O-N 3.13Å; I110-S113 CarbonylContact O-C 3.28Å; I110-S113 VanDerWaalsContact O-C 3.24Å; I110-S113 PolarHBondContact O-N 2.84Å; S113-Y115 PolarHBondContact O-N 3.15Å
114P92.3Very high96.5Very high51 Ų5139.2 Ų39.233%0.33120%0.2SC..THydrogen-bonded Turntrans-76-7.3-16928.5-36000114.4I110 Y120I110-P114 WeakPolarHBondContact O-CA 3.41Å; P114-Y120 WeakPolarHBondContact O-CE2 3.24Å; P114-Y120 PolarHBondContact O-OH 2.9Å
115Y91.9Very high96.5Very high136 Ų13637.2 Ų37.253%0.53318%0.184SC..THydrogen-bonded Turntrans-107.230.6-177.5-60.9-75.3000113P68 S113 I146P68-Y115 WeakPolarHBondContact CG-OH 3.47Å; P68-Y115 PolarHBondContact O-OH 3.08Å; S113-Y115 PolarHBondContact O-N 3.15Å; Y115-I146 WeakPolarHBondContact O-CG2 3.37Å
116N93.1Very high96.5Very high42 Ų4236.8 Ų36.823%0.22518%0.181CC..  trans-112.3106.2174.7-172.1-22.3000111V118 F119 Y120N116-V118 PolarHBondContact O-N 2.76Å; N116-V118 VanDerWaalsContact O-N 3.15Å; N116-V118 VanDerWaalsContact OD1-CB 3.25Å; N116-V118 WeakPolarHBondContact OD1-CB 3.43Å; N116-V118 WeakPolarHBondContact OD1-CG2 3.43Å; N116-V118 PolarHBondContact OD1-N 3.35Å; N116-F119 HydrophobicContact CB-CD1 4.48Å; N116-F119 HydrophobicContact CB-CD2 3.63Å; N116-F119 HydrophobicContact CB-CE2 3.7Å; N116-F119 HydrophobicContact CB-CG 4.04Å; N116-F119 HydrophobicContact CB-CZ 4.18Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.42Å; N116-F119 VanDerWaalsContact ND2-CZ 3.26Å; N116-F119 WeakPolarHBondContact ND2-CZ 3.49Å; N116-F119 PolarHBondContact O-N 3.41Å; N116-F119 VanDerWaalsContact O-N 3.14Å; N116-Y120 WeakPolarHBondContact O-CD2 3.39Å
117A96.7Very high96.6Very high8 Ų837.6 Ų37.67%0.06619%0.185CC..Hα-helixtrans-56.9-30.1-179.300000113.3F119 C121 A143 I146 D147 Y150A117-F119 VanDerWaalsContact C-N 3.33Å; A117-F119 PolarHBondContact O-N 2.88Å; A117-C121 WeakPolarHBondContact O-CB 3.34Å; A117-C121 PolarHBondContact O-N 3.4Å; A117-A143 HydrophobicContact CB-CB 4.25Å; A117-A143 WeakPolarHBondContact CB-O 3.41Å; A117-A143 WeakPolarHBondContact O-CB 3.31Å; A117-I146 HydrophobicContact CB-CB 4.09Å; A117-I146 HydrophobicContact CB-CG2 3.97Å; A117-D147 HydrophobicContact CB-CB 3.91Å; A117-Y150 HydrophobicContact CB-CD1 3.94Å; A117-Y150 HydrophobicContact CB-CE1 4.29Å
118V97.5Very high96.5Very high45 Ų4537.5 Ų37.527%0.27318%0.184SC..Hα-helixtrans-63.5-39.1-179.9-177.70000111.2K87 N116 C121 N122K87-V118 HydrophobicContact CD-CG1 4.07Å; N116-V118 PolarHBondContact O-N 2.76Å; N116-V118 VanDerWaalsContact O-N 3.15Å; N116-V118 VanDerWaalsContact OD1-CB 3.25Å; N116-V118 WeakPolarHBondContact OD1-CB 3.43Å; N116-V118 WeakPolarHBondContact OD1-CG2 3.43Å; N116-V118 PolarHBondContact OD1-N 3.35Å; V118-C121 PolarHBondContact O-N 3.23Å; V118-N122 VanDerWaalsContact O-CB 3.3Å; V118-N122 WeakPolarHBondContact O-CB 3.33Å; V118-N122 VanDerWaalsContact O-CG 3.28Å; V118-N122 PolarHBondContact O-N 3.19Å
119F98Very high96.5Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-66.4-45.1-177.4-58.5-20.9000111.7K87 A109 I110 N116 A117 N122 R123K87-F119 HydrophobicContact CB-CD1 3.94Å; K87-F119 HydrophobicContact CB-CE1 3.66Å; K87-F119 HydrophobicContact CD-CD1 3.99Å; K87-F119 HydrophobicContact CD-CE1 3.79Å; K87-F119 HydrophobicContact CG-CD1 3.99Å; K87-F119 HydrophobicContact CG-CE1 4Å; A109-F119 HydrophobicContact CB-CD1 4.36Å; A109-F119 HydrophobicContact CB-CD2 3.9Å; A109-F119 HydrophobicContact CB-CE1 4.45Å; A109-F119 HydrophobicContact CB-CE2 4Å; A109-F119 HydrophobicContact CB-CG 4.1Å; A109-F119 HydrophobicContact CB-CZ 4.28Å; A109-F119 WeakPolarHBondContact O-CE2 3.42Å; I110-F119 HydrophobicContact CD1-CB 4.27Å; I110-F119 HydrophobicContact CG1-CB 3.6Å; I110-F119 HydrophobicContact CG1-CD2 4.42Å; N116-F119 HydrophobicContact CB-CD1 4.48Å; N116-F119 HydrophobicContact CB-CD2 3.63Å; N116-F119 HydrophobicContact CB-CE2 3.7Å; N116-F119 HydrophobicContact CB-CG 4.04Å; N116-F119 HydrophobicContact CB-CZ 4.18Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.42Å; N116-F119 VanDerWaalsContact ND2-CZ 3.26Å; N116-F119 WeakPolarHBondContact ND2-CZ 3.49Å; N116-F119 PolarHBondContact O-N 3.41Å; N116-F119 VanDerWaalsContact O-N 3.14Å; A117-F119 VanDerWaalsContact C-N 3.33Å; A117-F119 PolarHBondContact O-N 2.88Å; F119-N122 PolarHBondContact O-N 3.18Å; F119-R123 WeakPolarHBondContact O-CB 3.24Å; F119-R123 PolarHBondContact O-N 3.06Å
120Y98.6Very high96.6Very high28 Ų2841.3 Ų41.311%0.1120%0.199CC..Hα-helixtrans-63.3-45.9174.8-65.2-89000111.5I110 P114 N116 N122 R123 A124 D139 K142 I146I110-Y120 HydrophobicContact CD1-CD1 3.84Å; I110-Y120 HydrophobicContact CD1-CD2 4.46Å; I110-Y120 HydrophobicContact CD1-CE1 3.99Å; I110-Y120 HydrophobicContact CD1-CG 4.11Å; I110-Y120 HydrophobicContact CG1-CD2 4.4Å; I110-Y120 HydrophobicContact CG1-CE1 4.36Å; I110-Y120 HydrophobicContact CG1-CE2 4.24Å; I110-Y120 HydrophobicContact CG2-CE1 3.91Å; I110-Y120 HydrophobicContact CG2-CE2 4.23Å; I110-Y120 WeakPolarHBondContact CG2-OH 3.34Å; P114-Y120 WeakPolarHBondContact O-CE2 3.24Å; P114-Y120 PolarHBondContact O-OH 2.9Å; N116-Y120 WeakPolarHBondContact O-CD2 3.39Å; Y120-N122 VanDerWaalsContact C-N 3.29Å; Y120-N122 PolarHBondContact O-N 2.95Å; Y120-R123 PolarHBondContact O-N 2.93Å; Y120-R123 VanDerWaalsContact O-N 3.13Å; Y120-A124 WeakPolarHBondContact O-CB 3.4Å; Y120-A124 PolarHBondContact O-N 3.4Å; Y120-D139 WeakPolarHBondContact CB-O 3.4Å; Y120-K142 HydrophobicContact CD1-CB 3.69Å; Y120-K142 HydrophobicContact CD1-CG 4.46Å; Y120-K142 HydrophobicContact CE1-CB 3.9Å; Y120-K142 HydrophobicContact CE1-CG 4.34Å; Y120-K142 HydrophobicContact CG-CB 4.13Å; Y120-I146 HydrophobicContact CD2-CD1 3.7Å; Y120-I146 HydrophobicContact CE2-CD1 3.44Å; Y120-I146 VanDerWaalsContact CE2-CD1 3.44Å
121C98.4Very high96.6Very high0 Ų046.4 Ų46.40%023%0.227CC..Hα-helixtrans-62.3-35.9178.4-1760000112.8A117 V118 A125 A143 Y150 R156A117-C121 WeakPolarHBondContact O-CB 3.34Å; A117-C121 PolarHBondContact O-N 3.4Å; V118-C121 PolarHBondContact O-N 3.23Å; C121-A125 PolarHBondContact O-N 3.06Å; C121-A143 HydrophobicContact CB-CB 4.34Å; C121-Y150 HydrophobicContact CB-CD1 4.1Å; C121-Y150 HydrophobicContact CB-CE1 3.31Å; C121-R156 WeakPolarHBondContact O-CD 3.31Å; C121-R156 PolarHBondContact O-NE 3.26Å; C121-R156 VanDerWaalsContact O-NE 3.16Å; C121-R156 VanDerWaalsContact SG-CD 3.58Å; C121-R156 PolarHBondContact SG-NE 3.39Å; C121-R156 VanDerWaalsContact SG-NE 3.39Å
122N98.5Very high96.8Very high21 Ų2143.6 Ų43.611%0.11221%0.213CC..Hα-helixtrans-70.5-38.3173.9-77.60.6000112.2N91 Y106 V118 F119 Y120 A125 A126N91-N122 PolarHBondContact OD1-ND2 3.44Å; Y106-N122 HydrophobicContact CD1-CB 3.96Å; Y106-N122 HydrophobicContact CD2-CB 4.21Å; Y106-N122 HydrophobicContact CE1-CB 3.63Å; Y106-N122 HydrophobicContact CE2-CB 3.89Å; Y106-N122 WeakPolarHBondContact CE2-O 3.33Å; Y106-N122 HydrophobicContact CG-CB 4.25Å; V118-N122 VanDerWaalsContact O-CB 3.3Å; V118-N122 WeakPolarHBondContact O-CB 3.33Å; V118-N122 VanDerWaalsContact O-CG 3.28Å; V118-N122 PolarHBondContact O-N 3.19Å; F119-N122 PolarHBondContact O-N 3.18Å; Y120-N122 VanDerWaalsContact C-N 3.29Å; Y120-N122 PolarHBondContact O-N 2.95Å; N122-A125 WeakPolarHBondContact O-CB 3.29Å; N122-A125 PolarHBondContact O-N 3.11Å; N122-A126 PolarHBondContact O-N 3.01Å
123R98.7Very high97Very high46 Ų4642 Ų4217%0.17420%0.204CC..Hα-helixtrans-66.9-39.2174.7-164.8173.766.9-179.7-0.9111.9V103 Y106 S107 F119 Y120 A125 A126 H127 D139V103-R123 HydrophobicContact CG1-CG 4.25Å; Y106-R123 HydrophobicContact CD2-CB 4.09Å; Y106-R123 HydrophobicContact CG-CB 4.29Å; S107-R123 VanDerWaalsContact OG-CD 3.28Å; S107-R123 WeakPolarHBondContact OG-CD 3.44Å; S107-R123 PolarHBondContact OG-NH1 2.89Å; F119-R123 WeakPolarHBondContact O-CB 3.24Å; F119-R123 PolarHBondContact O-N 3.06Å; Y120-R123 PolarHBondContact O-N 2.93Å; Y120-R123 VanDerWaalsContact O-N 3.13Å; R123-A125 VanDerWaalsContact C-N 3.26Å; R123-A125 PolarHBondContact O-N 3.24Å; R123-A126 WeakPolarHBondContact O-CB 3.47Å; R123-A126 PolarHBondContact O-N 2.94Å; R123-H127 PolarHBondContact O-CD2 3.22Å; R123-H127 PolarHBondContact O-N 3.31Å; R123-D139 WeakPolarHBondContact CB-OD2 3.4Å; R123-D139 VanDerWaalsContact CG-OD2 3.32Å; R123-D139 WeakPolarHBondContact CG-OD2 3.46Å; R123-D139 IonicContact CZ-OD1 3.76Å; R123-D139 IonicContact CZ-OD2 3.73Å; R123-D139 IonicContact NE-OD1 3.15Å; R123-D139 PolarHBondContact NE-OD1 3.03Å; R123-D139 IonicContact NE-OD2 3.77Å; R123-D139 PolarHBondContact NE-OD2 3Å; R123-D139 IonicContact NH2-OD1 3.8Å; R123-D139 PolarHBondContact NH2-OD1 3.42Å; R123-D139 IonicContact NH2-OD2 3.68Å
124A98.6Very high97.3Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-56.4-40.7171.200000112Y120 A126 H127 S128 A136 D139Y120-A124 WeakPolarHBondContact O-CB 3.4Å; Y120-A124 PolarHBondContact O-N 3.4Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.26Å; A124-H127 PolarHBondContact O-N 3.31Å; A124-S128 PolarHBondContact O-N 2.71Å; A124-S128 PolarHBondContact O-OG 2.93Å; A124-A136 HydrophobicContact CB-CB 4.23Å; A124-A136 WeakPolarHBondContact CB-O 3.38Å; A124-A136 WeakPolarHBondContact O-CB 3.48Å; A124-D139 HydrophobicContact CB-CB 3.76Å; A124-D139 PolarHBondContact N-OD2 3.33Å
125A98.3Very high97.6Very high7 Ų747 Ų476%0.05822%0.224CC..Hα-helixtrans-58.4-44.1174.300000112.5M94 C121 N122 R123 R129M94-A125 HydrophobicContact CE-CB 3.97Å; C121-A125 PolarHBondContact O-N 3.06Å; N122-A125 WeakPolarHBondContact O-CB 3.29Å; N122-A125 PolarHBondContact O-N 3.11Å; R123-A125 VanDerWaalsContact C-N 3.26Å; R123-A125 PolarHBondContact O-N 3.24Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 2.94Å
126A98.6Very high97.9Very high0 Ų040.6 Ų40.60%020%0.198CC..Hα-helixtrans-69.4-42.1-18000000111.3M94 A102 V103 Y106 N122 R123 A124 S128 R129 L130M94-A126 HydrophobicContact CE-CB 4.48Å; M94-A126 HydrophobicContact SD-CB 3.6Å; M94-A126 VanDerWaalsContact SD-CB 3.6Å; A102-A126 HydrophobicContact CB-CB 4.18Å; V103-A126 HydrophobicContact CG2-CB 3.55Å; Y106-A126 HydrophobicContact CE2-CB 4.37Å; N122-A126 PolarHBondContact O-N 3.01Å; R123-A126 WeakPolarHBondContact O-CB 3.47Å; R123-A126 PolarHBondContact O-N 2.94Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.26Å; A126-S128 PolarHBondContact O-N 3.49Å; A126-R129 PolarHBondContact O-N 3.48Å; A126-R129 VanDerWaalsContact O-N 3.13Å; A126-L130 PolarHBondContact O-N 3.15Å
127H98.7Very high98.2Very high20 Ų2038.7 Ų38.79%0.09319%0.188CC..Hα-helixtrans-58.9-43.7173-80.3-61.6000112.4R123 A124 R129 L130 D131 H132 D135 A136 D139R123-H127 PolarHBondContact O-CD2 3.22Å; R123-H127 PolarHBondContact O-N 3.31Å; A124-H127 PolarHBondContact O-N 3.31Å; H127-R129 PolarHBondContact O-N 3.49Å; H127-L130 CarbonylContact O-C 3.49Å; H127-L130 PolarHBondContact O-N 3.35Å; H127-D131 PolarHBondContact O-N 3Å; H127-H132 HydrophobicContact CB-CB 4.06Å; H127-H132 AromaticContact ND1-ND1 3.75Å; H127-H132 PolarHBondContact O-N 2.99Å; H127-D135 HydrophobicContact CB-CB 4.19Å; H127-D135 IonicContact CE1-OD2 2.81Å; H127-D135 IonicContact ND1-OD2 2.72Å; H127-A136 HydrophobicContact CB-CB 3.91Å; H127-D139 IonicContact CD2-OD2 3.82Å; H127-D139 PolarHBondContact CD2-OD2 3.09Å; H127-D139 IonicContact NE2-OD2 2.69Å
128S97.9Very high98.3Very high23 Ų2341.8 Ų41.816%0.16120%0.204CC..Hα-helixtrans-62.7-29.5175.7-68.10000113.5A124 A126 L130 D131 A136A124-S128 PolarHBondContact O-N 2.71Å; A124-S128 PolarHBondContact O-OG 2.93Å; A126-S128 PolarHBondContact O-N 3.49Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-D131 PolarHBondContact O-N 2.85Å; S128-A136 WeakPolarHBondContact OG-CB 3.49Å
129R98Very high98.3Very high137 Ų13740.1 Ų40.152%0.51719%0.193SC..Hα-helixtrans-78.6-13.3175.3-65-73.5-83.8168.1-6.1113.3M94 E97 F99 A125 A126 H127M94-R129 HydrophobicContact CE-CG 4.33Å; E97-R129 IonicContact OE1-NH2 2.93Å; E97-R129 PolarHBondContact OE1-NH2 3.25Å; E97-R129 VanDerWaalsContact OE1-NH2 3.15Å; F99-R129 HydrophobicContact CB-CB 4.29Å; F99-R129 HydrophobicContact CD1-CB 3.59Å; F99-R129 HydrophobicContact CD1-CG 3.96Å; F99-R129 HydrophobicContact CD2-CB 3.69Å; F99-R129 HydrophobicContact CE1-CB 3.79Å; F99-R129 HydrophobicContact CE1-CG 3.81Å; F99-R129 HydrophobicContact CE2-CB 3.88Å; F99-R129 HydrophobicContact CG-CB 3.56Å; F99-R129 HydrophobicContact CG-CG 4.43Å; F99-R129 HydrophobicContact CZ-CB 3.95Å; F99-R129 HydrophobicContact CZ-CG 4.15Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 2.94Å; A126-R129 PolarHBondContact O-N 3.48Å; A126-R129 VanDerWaalsContact O-N 3.13Å; H127-R129 PolarHBondContact O-N 3.49Å
130L98.1Very high98.3Very high60 Ų6040.1 Ų40.131%0.31419%0.193SC..THydrogen-bonded Turntrans-102.19.4174.6-68169.8000112.1F99 V103 A126 H127 S128 H132F99-L130 HydrophobicContact CB-CD1 4.1Å; F99-L130 HydrophobicContact CB-CD2 3.8Å; F99-L130 HydrophobicContact CB-CG 3.69Å; V103-L130 HydrophobicContact CG2-CD1 3.96Å; A126-L130 PolarHBondContact O-N 3.15Å; H127-L130 CarbonylContact O-C 3.49Å; H127-L130 PolarHBondContact O-N 3.35Å; S128-L130 VanDerWaalsContact C-N 3.28Å; L130-H132 PolarHBondContact O-CD2 3.4Å; L130-H132 PolarHBondContact O-N 3.08Å; L130-H132 VanDerWaalsContact O-N 3.11Å
131D97.5Very high98.3Very high124 Ų12442.8 Ų42.866%0.66321%0.209SC*.THydrogen-bonded Turntrans5916.8-173.5-56.4-45.4000114.8H127 S128 H133H127-D131 PolarHBondContact O-N 3Å; S128-D131 PolarHBondContact O-N 2.85Å; D131-H133 PolarHBondContact O-N 2.92Å; D131-H133 IonicContact OD1-CE1 2.76Å; D131-H133 IonicContact OD1-NE2 2.85Å
132H98.2Very high98.3Very high93 Ų9347.5 Ų47.543%0.43123%0.23SC..  trans-84.359.9174.6-67.9-164.8000110.6H127 L130 Q134 D135 A136H127-H132 HydrophobicContact CB-CB 4.06Å; H127-H132 AromaticContact ND1-ND1 3.75Å; H127-H132 PolarHBondContact O-N 2.99Å; L130-H132 PolarHBondContact O-CD2 3.4Å; L130-H132 PolarHBondContact O-N 3.08Å; L130-H132 VanDerWaalsContact O-N 3.11Å; H132-Q134 VanDerWaalsContact C-N 3.32Å; H132-Q134 PolarHBondContact O-N 3.28Å; H132-D135 HydrophobicContact CB-CB 4.18Å; H132-D135 IonicContact CG-OD2 3.5Å; H132-D135 IonicContact ND1-OD2 3.9Å; H132-D135 PolarHBondContact ND1-OD2 3.49Å; H132-D135 PolarHBondContact O-N 2.91Å; H132-A136 PolarHBondContact O-N 2.82Å; H132-A136 VanDerWaalsContact O-N 3.08Å
133H98.1Very high98.3Very high26 Ų2646.5 Ų46.512%0.1222%0.224CC..Hα-helixtrans-63.8-33.2-170.4-57.1-50000113.8D131 A136 I137 A160 S163 I164D131-H133 PolarHBondContact O-N 2.92Å; D131-H133 IonicContact OD1-CE1 2.76Å; D131-H133 IonicContact OD1-NE2 2.85Å; H133-A136 PolarHBondContact O-N 3.37Å; H133-I137 WeakPolarHBondContact O-CG1 3.38Å; H133-I137 PolarHBondContact O-N 2.69Å; H133-A160 HydrophobicContact CB-CB 4.3Å; H133-S163 VanDerWaalsContact CD2-CB 3.4Å; H133-S163 WeakPolarHBondContact CD2-CB 3.44Å; H133-S163 WeakPolarHBondContact CE1-CB 3.33Å; H133-S163 PolarHBondContact CE1-OG 3.12Å; H133-S163 WeakPolarHBondContact NE2-CB 3.48Å; H133-I164 HydrophobicContact CB-CG2 3.48Å; H133-I164 VanDerWaalsContact CB-CG2 3.48Å
134Q98Very high98.2Very high106 Ų10645.2 Ų45.250%0.49522%0.221SC..Hα-helixtrans-66.6-39.6176.5-171.658.353.300112H132 A136 I137 N138H132-Q134 VanDerWaalsContact C-N 3.32Å; H132-Q134 PolarHBondContact O-N 3.28Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; Q134-I137 PolarHBondContact O-N 2.96Å; Q134-N138 PolarHBondContact NE2-OD1 3.22Å; Q134-N138 VanDerWaalsContact O-CG 3.23Å; Q134-N138 PolarHBondContact O-N 3.38Å; Q134-N138 PolarHBondContact O-ND2 2.86Å
135D98Very high98.1Very high66 Ų6651.7 Ų51.735%0.35325%0.251SS..Hα-helixtrans-64.8-40.8174.7-64.4-28.5000110.8H127 H132 I137 N138 D139H127-D135 HydrophobicContact CB-CB 4.19Å; H127-D135 IonicContact CE1-OD2 2.81Å; H127-D135 IonicContact ND1-OD2 2.72Å; H132-D135 HydrophobicContact CB-CB 4.18Å; H132-D135 IonicContact CG-OD2 3.5Å; H132-D135 IonicContact ND1-OD2 3.9Å; H132-D135 PolarHBondContact ND1-OD2 3.49Å; H132-D135 PolarHBondContact O-N 2.91Å; D135-I137 VanDerWaalsContact C-N 3.34Å; D135-I137 PolarHBondContact O-N 3.13Å; D135-N138 PolarHBondContact O-N 3.4Å; D135-D139 PolarHBondContact O-N 2.86Å
136A98.6Very high97.9Very high0 Ų054 Ų540%026%0.262CS..Hα-helixtrans-60.9-41.2175.100000112.6A124 H127 S128 H132 H133 Q134 D139 C140 A160A124-A136 HydrophobicContact CB-CB 4.23Å; A124-A136 WeakPolarHBondContact CB-O 3.38Å; A124-A136 WeakPolarHBondContact O-CB 3.48Å; H127-A136 HydrophobicContact CB-CB 3.91Å; S128-A136 WeakPolarHBondContact OG-CB 3.49Å; H132-A136 PolarHBondContact O-N 2.82Å; H132-A136 VanDerWaalsContact O-N 3.08Å; H133-A136 PolarHBondContact O-N 3.37Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; A136-D139 PolarHBondContact O-N 3.43Å; A136-C140 WeakPolarHBondContact O-CB 3.49Å; A136-C140 PolarHBondContact O-N 3.08Å; A136-C140 PolarHBondContact O-SG 3.33Å; A136-A160 HydrophobicContact CB-CB 4.06Å
137I98.6Very high97.7Very high2 Ų257 Ų571%0.0128%0.278CS..Hα-helixtrans-61.9-47.6174.5-69.4161.7000110.4H133 Q134 D135 D139 C140 L141 A160 Y161 I164H133-I137 WeakPolarHBondContact O-CG1 3.38Å; H133-I137 PolarHBondContact O-N 2.69Å; Q134-I137 PolarHBondContact O-N 2.96Å; D135-I137 VanDerWaalsContact C-N 3.34Å; D135-I137 PolarHBondContact O-N 3.13Å; I137-D139 VanDerWaalsContact C-N 3.32Å; I137-D139 PolarHBondContact O-N 3.34Å; I137-C140 PolarHBondContact O-N 3.41Å; I137-L141 HydrophobicContact CG2-CD1 4Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CG 3.47Å; I137-L141 PolarHBondContact O-N 3.18Å; I137-A160 HydrophobicContact CD1-CB 4.24Å; I137-A160 HydrophobicContact CG1-CB 3.65Å; I137-Y161 HydrophobicContact CD1-CD1 3.73Å; I137-Y161 HydrophobicContact CD1-CE1 3.66Å; I137-Y161 HydrophobicContact CD1-CG 4.22Å; I137-Y161 HydrophobicContact CG1-CD1 4.49Å; I137-Y161 HydrophobicContact CG1-CE1 4.33Å; I137-Y161 HydrophobicContact CG1-CE2 4.45Å; I137-Y161 HydrophobicContact CG2-CE1 4.39Å; I137-Y161 HydrophobicContact CG2-CE2 4.34Å; I137-I164 HydrophobicContact CD1-CD1 3.76Å
138N98.3Very high97.5Very high74 Ų7459.2 Ų59.240%0.39629%0.294SS..Hα-helixtrans-60-42.9-179.9-67.2-21000111.7Q134 D135 L141 K142Q134-N138 PolarHBondContact NE2-OD1 3.22Å; Q134-N138 VanDerWaalsContact O-CG 3.23Å; Q134-N138 PolarHBondContact O-N 3.38Å; Q134-N138 PolarHBondContact O-ND2 2.86Å; D135-N138 PolarHBondContact O-N 3.4Å; N138-L141 PolarHBondContact O-N 3.06Å; N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.33Å
139D98.5Very high97.4Very high9 Ų966.8 Ų66.85%0.04832%0.32CS..Hα-helixtrans-65.5-41.8175.8-85.5-13.4000112.5Y120 R123 A124 H127 D135 A136 I137 L141 K142 A143Y120-D139 WeakPolarHBondContact CB-O 3.4Å; R123-D139 WeakPolarHBondContact CB-OD2 3.4Å; R123-D139 VanDerWaalsContact CG-OD2 3.32Å; R123-D139 WeakPolarHBondContact CG-OD2 3.46Å; R123-D139 IonicContact CZ-OD1 3.76Å; R123-D139 IonicContact CZ-OD2 3.73Å; R123-D139 IonicContact NE-OD1 3.15Å; R123-D139 PolarHBondContact NE-OD1 3.03Å; R123-D139 IonicContact NE-OD2 3.77Å; R123-D139 PolarHBondContact NE-OD2 3Å; R123-D139 IonicContact NH2-OD1 3.8Å; R123-D139 PolarHBondContact NH2-OD1 3.42Å; R123-D139 IonicContact NH2-OD2 3.68Å; A124-D139 HydrophobicContact CB-CB 3.76Å; A124-D139 PolarHBondContact N-OD2 3.33Å; H127-D139 IonicContact CD2-OD2 3.82Å; H127-D139 PolarHBondContact CD2-OD2 3.09Å; H127-D139 IonicContact NE2-OD2 2.69Å; D135-D139 PolarHBondContact O-N 2.86Å; A136-D139 PolarHBondContact O-N 3.43Å; I137-D139 VanDerWaalsContact C-N 3.32Å; I137-D139 PolarHBondContact O-N 3.34Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 3.29Å; D139-K142 PolarHBondContact O-N 3.33Å; D139-A143 PolarHBondContact O-N 3.46Å
140C98.5Very high97.3Very high0 Ų062.1 Ų62.10%030%0.303CS..Hα-helixtrans-60.8-43173.8-80.20000112.1A136 I137 K142 A143 L144 A153 M157A136-C140 WeakPolarHBondContact O-CB 3.49Å; A136-C140 PolarHBondContact O-N 3.08Å; A136-C140 PolarHBondContact O-SG 3.33Å; I137-C140 PolarHBondContact O-N 3.41Å; C140-K142 VanDerWaalsContact C-N 3.32Å; C140-K142 PolarHBondContact O-N 2.97Å; C140-A143 WeakPolarHBondContact O-CB 3.46Å; C140-A143 PolarHBondContact O-N 3.04Å; C140-L144 VanDerWaalsContact O-CG 3.31Å; C140-L144 WeakPolarHBondContact O-CG 3.36Å; C140-L144 PolarHBondContact O-N 3.44Å; C140-A153 PolarHBondContact SG-O 3.44Å; C140-M157 HydrophobicContact CB-CB 3.72Å; C140-M157 HydrophobicContact CB-CG 4.02Å; C140-M157 HydrophobicContact CB-SD 3.99Å
141L98.4Very high97.3Very high85 Ų8560.2 Ų60.245%0.44530%0.295SS..Hα-helixtrans-61.2-40.9175.7-70.5171.2000111.4I137 N138 D139 L144 E145 M157I137-L141 HydrophobicContact CG2-CD1 4Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CG 3.47Å; I137-L141 PolarHBondContact O-N 3.18Å; N138-L141 PolarHBondContact O-N 3.06Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-E145 PolarHBondContact O-N 3.11Å; L141-M157 HydrophobicContact CD2-SD 3.88Å; L141-M157 HydrophobicContact CG-SD 4.14Å
142K97.9Very high97.2Very high99 Ų9960 Ų6043%0.4329%0.288SS..Hα-helixtrans-66.4-39174-72.4-61.3179.5-171.20113.4Y120 N138 D139 C140 L144 E145 I146Y120-K142 HydrophobicContact CD1-CB 3.69Å; Y120-K142 HydrophobicContact CD1-CG 4.46Å; Y120-K142 HydrophobicContact CE1-CB 3.9Å; Y120-K142 HydrophobicContact CE1-CG 4.34Å; Y120-K142 HydrophobicContact CG-CB 4.13Å; N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.33Å; D139-K142 PolarHBondContact O-N 3.33Å; C140-K142 VanDerWaalsContact C-N 3.32Å; C140-K142 PolarHBondContact O-N 2.97Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 2.92Å; K142-E145 WeakPolarHBondContact CD-OE2 3.33Å; K142-E145 IonicContact NZ-OE2 3.42Å; K142-E145 PolarHBondContact NZ-OE2 3.36Å; K142-E145 PolarHBondContact O-N 3.38Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.35Å
143A97.7Very high97.2Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-60.5-42.8173.200000111.4A117 C121 D139 C140 I146 D147 Y150 A153A117-A143 HydrophobicContact CB-CB 4.25Å; A117-A143 WeakPolarHBondContact CB-O 3.41Å; A117-A143 WeakPolarHBondContact O-CB 3.31Å; C121-A143 HydrophobicContact CB-CB 4.34Å; D139-A143 PolarHBondContact O-N 3.46Å; C140-A143 WeakPolarHBondContact O-CB 3.46Å; C140-A143 PolarHBondContact O-N 3.04Å; A143-I146 PolarHBondContact O-N 3.5Å; A143-D147 PolarHBondContact O-N 3.27Å; A143-Y150 HydrophobicContact CB-CD1 4.38Å; A143-A153 HydrophobicContact CB-CB 4.02Å
144L97.2Very high97.2Very high19 Ų1956.6 Ų56.610%0.09927%0.27CS..Hα-helixtrans-73.9-25.9179.2-67.9171.6000113.5C140 L141 K142 I146 D147 P148 A153 Y154 M157C140-L144 VanDerWaalsContact O-CG 3.31Å; C140-L144 WeakPolarHBondContact O-CG 3.36Å; C140-L144 PolarHBondContact O-N 3.44Å; L141-L144 PolarHBondContact O-N 3.29Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 2.92Å; L144-I146 VanDerWaalsContact C-N 3.27Å; L144-D147 CarbonylContact O-C 3.57Å; L144-P148 WeakPolarHBondContact O-CA 3.42Å; L144-A153 HydrophobicContact CD1-CB 4.49Å; L144-A153 HydrophobicContact CD2-CB 3.82Å; L144-A153 HydrophobicContact CG-CB 3.86Å; L144-Y154 HydrophobicContact CD1-CD1 3.97Å; L144-Y154 HydrophobicContact CD1-CD2 4.49Å; L144-Y154 HydrophobicContact CD1-CE1 3.72Å; L144-Y154 HydrophobicContact CD1-CE2 4.28Å; L144-Y154 HydrophobicContact CD1-CG 4.34Å; L144-Y154 HydrophobicContact CD2-CD2 3.69Å; L144-Y154 HydrophobicContact CD2-CE1 4.31Å; L144-Y154 HydrophobicContact CD2-CE2 3.33Å; L144-Y154 HydrophobicContact CD2-CG 4.31Å; L144-Y154 HydrophobicContact CG-CE2 4.45Å; L144-M157 HydrophobicContact CD1-CE 3.76Å; L144-M157 HydrophobicContact CD1-SD 4.27Å
145E96.3Very high97.2Very high135 Ų13551.8 Ų51.863%0.63125%0.25SC*.Hα-helixtrans-65.1-33.7169.1-170.5-175.8163.300111.3L141 K142L141-E145 PolarHBondContact O-N 3.11Å; K142-E145 WeakPolarHBondContact CD-OE2 3.33Å; K142-E145 IonicContact NZ-OE2 3.42Å; K142-E145 PolarHBondContact NZ-OE2 3.36Å; K142-E145 PolarHBondContact O-N 3.38Å
146I94.5Very high97.2Very high57 Ų5752.3 Ų52.329%0.29225%0.247SC..Hα-helixtrans-82.5-48.5178.6-63.9162.7000111.3Y115 A117 Y120 K142 A143 L144Y115-I146 WeakPolarHBondContact O-CG2 3.37Å; A117-I146 HydrophobicContact CB-CB 4.09Å; A117-I146 HydrophobicContact CB-CG2 3.97Å; Y120-I146 HydrophobicContact CD2-CD1 3.7Å; Y120-I146 HydrophobicContact CE2-CD1 3.44Å; Y120-I146 VanDerWaalsContact CE2-CD1 3.44Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.35Å; A143-I146 PolarHBondContact O-N 3.5Å; L144-I146 VanDerWaalsContact C-N 3.27Å
147D94.8Very high97.2Very high62 Ų6253 Ų5333%0.33225%0.25SC..  trans-134.197178.4-179.77.6000110.6A117 A143 L144 Y149 Y150A117-D147 HydrophobicContact CB-CB 3.91Å; A143-D147 PolarHBondContact O-N 3.27Å; L144-D147 CarbonylContact O-C 3.57Å; D147-Y149 PolarHBondContact O-N 3.09Å; D147-Y149 VanDerWaalsContact O-N 3.16Å; D147-Y149 PolarHBondContact OD1-N 3.49Å; D147-Y150 WeakPolarHBondContact O-CB 3.37Å; D147-Y150 PolarHBondContact O-N 3.35Å
148P95.4Very high97.2Very high67 Ų6752.9 Ų52.944%0.43525%0.249SC..THydrogen-bonded Turntrans-62.8-17.1177.8-24.134.3000114.6L144 Y154L144-P148 WeakPolarHBondContact O-CA 3.42Å; P148-Y154 WeakPolarHBondContact O-CE2 3.24Å
149Y95.4Very high97.2Very high181 Ų18152.6 Ų52.671%0.7125%0.247SC*.THydrogen-bonded Turntrans-96.79.9-179.1-60.2-81.2000112.3D147 S151 L180D147-Y149 PolarHBondContact O-N 3.09Å; D147-Y149 VanDerWaalsContact O-N 3.16Å; D147-Y149 PolarHBondContact OD1-N 3.49Å; Y149-S151 PolarHBondContact O-N 3.13Å; Y149-L180 HydrophobicContact CD1-CD2 3.82Å
150Y96Very high97.2Very high39 Ų3952.1 Ų52.115%0.15325%0.245CC..  trans-79.383.7-177-164.3-152.4000112.5A117 C121 A143 D147 K152 A153A117-Y150 HydrophobicContact CB-CD1 3.94Å; A117-Y150 HydrophobicContact CB-CE1 4.29Å; C121-Y150 HydrophobicContact CB-CD1 4.1Å; C121-Y150 HydrophobicContact CB-CE1 3.31Å; A143-Y150 HydrophobicContact CB-CD1 4.38Å; D147-Y150 WeakPolarHBondContact O-CB 3.37Å; D147-Y150 PolarHBondContact O-N 3.35Å; Y150-K152 HydrophobicContact CE2-CB 4.13Å; Y150-K152 HydrophobicContact CE2-CD 4.33Å; Y150-K152 HydrophobicContact CE2-CG 4.48Å; Y150-K152 PolarHBondContact O-N 3.22Å; Y150-A153 HydrophobicContact CD1-CB 3.91Å; Y150-A153 HydrophobicContact CG-CB 4.39Å; Y150-A153 WeakPolarHBondContact O-CB 3.49Å; Y150-A153 PolarHBondContact O-N 2.93Å
151S96.9Very high97.2Very high21 Ų2153.5 Ų53.515%0.14725%0.25CS..Hα-helixtrans-48.6-39-175.666.70000114.3Y149 A153 Y154 G155Y149-S151 PolarHBondContact O-N 3.13Å; S151-A153 VanDerWaalsContact C-N 3.29Å; S151-A153 PolarHBondContact O-N 3.03Å; S151-Y154 WeakPolarHBondContact O-CB 3.49Å; S151-Y154 PolarHBondContact O-N 3.47Å; S151-G155 PolarHBondContact O-N 3.44Å
152K96.9Very high97.1Very high120 Ų12050.4 Ų50.452%0.52224%0.236SC..Hα-helixtrans-61.2-34.7178-69.6-176.7-178.1176.50113Y150 G155 R156Y150-K152 HydrophobicContact CE2-CB 4.13Å; Y150-K152 HydrophobicContact CE2-CD 4.33Å; Y150-K152 HydrophobicContact CE2-CG 4.48Å; Y150-K152 PolarHBondContact O-N 3.22Å; K152-G155 PolarHBondContact O-N 3.47Å; K152-R156 WeakPolarHBondContact O-CG 3.5Å; K152-R156 PolarHBondContact O-N 3.31Å
153A98.1Very high97.1Very high0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-66.3-41.4178.600000111C140 A143 L144 Y150 S151 R156 M157C140-A153 PolarHBondContact SG-O 3.44Å; A143-A153 HydrophobicContact CB-CB 4.02Å; L144-A153 HydrophobicContact CD1-CB 4.49Å; L144-A153 HydrophobicContact CD2-CB 3.82Å; L144-A153 HydrophobicContact CG-CB 3.86Å; Y150-A153 HydrophobicContact CD1-CB 3.91Å; Y150-A153 HydrophobicContact CG-CB 4.39Å; Y150-A153 WeakPolarHBondContact O-CB 3.49Å; Y150-A153 PolarHBondContact O-N 2.93Å; S151-A153 VanDerWaalsContact C-N 3.29Å; S151-A153 PolarHBondContact O-N 3.03Å; A153-R156 PolarHBondContact O-N 3.3Å; A153-M157 VanDerWaalsContact O-CB 3.26Å; A153-M157 WeakPolarHBondContact O-CB 3.31Å; A153-M157 PolarHBondContact O-N 2.9Å
154Y98.4Very high97Very high46 Ų4652.7 Ų52.718%0.1826%0.257CS..Hα-helixtrans-60.7-46.6173.2-75.4-72000112.6L144 P148 S151 R156 M157 G158 K176 L180L144-Y154 HydrophobicContact CD1-CD1 3.97Å; L144-Y154 HydrophobicContact CD1-CD2 4.49Å; L144-Y154 HydrophobicContact CD1-CE1 3.72Å; L144-Y154 HydrophobicContact CD1-CE2 4.28Å; L144-Y154 HydrophobicContact CD1-CG 4.34Å; L144-Y154 HydrophobicContact CD2-CD2 3.69Å; L144-Y154 HydrophobicContact CD2-CE1 4.31Å; L144-Y154 HydrophobicContact CD2-CE2 3.33Å; L144-Y154 HydrophobicContact CD2-CG 4.31Å; L144-Y154 HydrophobicContact CG-CE2 4.45Å; P148-Y154 WeakPolarHBondContact O-CE2 3.24Å; S151-Y154 WeakPolarHBondContact O-CB 3.49Å; S151-Y154 PolarHBondContact O-N 3.47Å; Y154-R156 PolarHBondContact O-N 3.16Å; Y154-M157 HydrophobicContact CD1-CE 4.03Å; Y154-M157 HydrophobicContact CE1-CE 4.32Å; Y154-M157 PolarHBondContact O-N 3.49Å; Y154-G158 PolarHBondContact O-N 2.9Å; Y154-K176 HydrophobicContact CD1-CB 3.63Å; Y154-K176 HydrophobicContact CE1-CB 3.73Å; Y154-K176 HydrophobicContact CE1-CG 4.23Å; Y154-K176 HydrophobicContact CG-CB 4.06Å; Y154-L180 HydrophobicContact CD2-CD1 3.67Å; Y154-L180 HydrophobicContact CE2-CD1 3.57Å
155G97.9Very high97Very high6 Ų653.5 Ų53.56%0.06227%0.27CS..Hα-helixtrans-59.8-44.8178.100000112.9S151 K152 G158 I159 Y174S151-G155 PolarHBondContact O-N 3.44Å; K152-G155 PolarHBondContact O-N 3.47Å; G155-G158 PolarHBondContact O-N 3.43Å; G155-I159 WeakPolarHBondContact O-CG1 3.42Å; G155-I159 PolarHBondContact O-N 3.31Å; G155-I159 VanDerWaalsContact O-N 3.13Å; G155-Y174 WeakPolarHBondContact O-CE1 3.32Å
156R98.1Very high96.9Very high77 Ų7749.8 Ų49.829%0.29125%0.254SS..Hα-helixtrans-66.6-38176.3-69.3-173.5-168.7-72.98.5112.9C121 K152 A153 Y154 G158 I159 A160C121-R156 WeakPolarHBondContact O-CD 3.31Å; C121-R156 PolarHBondContact O-NE 3.26Å; C121-R156 VanDerWaalsContact O-NE 3.16Å; C121-R156 VanDerWaalsContact SG-CD 3.58Å; C121-R156 PolarHBondContact SG-NE 3.39Å; C121-R156 VanDerWaalsContact SG-NE 3.39Å; K152-R156 WeakPolarHBondContact O-CG 3.5Å; K152-R156 PolarHBondContact O-N 3.31Å; A153-R156 PolarHBondContact O-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.16Å; R156-G158 VanDerWaalsContact C-N 3.33Å; R156-I159 PolarHBondContact O-N 2.97Å; R156-A160 PolarHBondContact O-N 3.45Å
157M98.3Very high97.1Very high13 Ų1349.2 Ų49.26%0.06425%0.249CC..Hα-helixtrans-64.5-40.8176.6-167.7163.768.300110.9C140 L141 L144 A153 Y154 I159 A160 Y161 C173C140-M157 HydrophobicContact CB-CB 3.72Å; C140-M157 HydrophobicContact CB-CG 4.02Å; C140-M157 HydrophobicContact CB-SD 3.99Å; L141-M157 HydrophobicContact CD2-SD 3.88Å; L141-M157 HydrophobicContact CG-SD 4.14Å; L144-M157 HydrophobicContact CD1-CE 3.76Å; L144-M157 HydrophobicContact CD1-SD 4.27Å; A153-M157 VanDerWaalsContact O-CB 3.26Å; A153-M157 WeakPolarHBondContact O-CB 3.31Å; A153-M157 PolarHBondContact O-N 2.9Å; Y154-M157 HydrophobicContact CD1-CE 4.03Å; Y154-M157 HydrophobicContact CE1-CE 4.32Å; Y154-M157 PolarHBondContact O-N 3.49Å; M157-I159 VanDerWaalsContact C-N 3.33Å; M157-I159 PolarHBondContact O-N 3.03Å; M157-A160 PolarHBondContact O-N 3.3Å; M157-Y161 HydrophobicContact CG-CD2 3.77Å; M157-Y161 HydrophobicContact CG-CE2 3.5Å; M157-Y161 VanDerWaalsContact O-CD2 3.24Å; M157-Y161 WeakPolarHBondContact O-CD2 3.5Å; M157-Y161 PolarHBondContact O-N 3.28Å; M157-Y161 HydrophobicContact SD-CE2 4.09Å; M157-C173 HydrophobicContact CE-CB 4.45Å; M157-C173 WeakPolarHBondContact CE-SG 3.3Å
158G98.2Very high97.2Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-58.3-43.6172.500000112.2Y154 G155 R156 A160 Y161 S162 A170 Y174Y154-G158 PolarHBondContact O-N 2.9Å; G155-G158 PolarHBondContact O-N 3.43Å; R156-G158 VanDerWaalsContact C-N 3.33Å; G158-A160 PolarHBondContact O-N 2.94Å; G158-Y161 PolarHBondContact O-N 2.94Å; G158-S162 WeakPolarHBondContact O-CB 3.45Å; G158-S162 PolarHBondContact O-N 3.12Å; G158-S162 PolarHBondContact O-OG 2.96Å; G158-A170 WeakPolarHBondContact O-CB 3.26Å; G158-Y174 PolarHBondContact O-OH 3.46Å
159I97.8Very high97.2Very high68 Ų6849.6 Ų49.635%0.34925%0.249SC..Hα-helixtrans-61.3-47.5177.3-67.4166.2000110.3G155 R156 M157 Y161 S162 S163 Y174G155-I159 WeakPolarHBondContact O-CG1 3.42Å; G155-I159 PolarHBondContact O-N 3.31Å; G155-I159 VanDerWaalsContact O-N 3.13Å; R156-I159 PolarHBondContact O-N 2.97Å; M157-I159 VanDerWaalsContact C-N 3.33Å; M157-I159 PolarHBondContact O-N 3.03Å; I159-Y161 PolarHBondContact O-N 3.38Å; I159-S162 WeakPolarHBondContact O-CB 3.5Å; I159-S162 PolarHBondContact O-N 3.03Å; I159-S163 PolarHBondContact O-N 3.36Å; I159-S163 PolarHBondContact O-OG 2.92Å; I159-Y174 WeakPolarHBondContact CA-OH 3.32Å; I159-Y174 HydrophobicContact CG1-CE1 4.21Å; I159-Y174 WeakPolarHBondContact CG1-OH 3.45Å; I159-Y174 PolarHBondContact N-OH 2.74Å
160A98.3Very high97.4Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-63.3-40.8179.600000112.5H133 A136 I137 R156 M157 G158 S163 I164H133-A160 HydrophobicContact CB-CB 4.3Å; A136-A160 HydrophobicContact CB-CB 4.06Å; I137-A160 HydrophobicContact CD1-CB 4.24Å; I137-A160 HydrophobicContact CG1-CB 3.65Å; R156-A160 PolarHBondContact O-N 3.45Å; M157-A160 PolarHBondContact O-N 3.3Å; G158-A160 PolarHBondContact O-N 2.94Å; A160-S163 PolarHBondContact O-N 2.85Å; A160-I164 PolarHBondContact O-N 2.76Å
161Y98.5Very high97.5Very high29 Ų2939.5 Ų39.511%0.11421%0.21CC..Hα-helixtrans-64.3-41.4173.9-81.7-57.5000112.8I137 M157 G158 I159 S163 I164 G165 N166 K169 C173I137-Y161 HydrophobicContact CD1-CD1 3.73Å; I137-Y161 HydrophobicContact CD1-CE1 3.66Å; I137-Y161 HydrophobicContact CD1-CG 4.22Å; I137-Y161 HydrophobicContact CG1-CD1 4.49Å; I137-Y161 HydrophobicContact CG1-CE1 4.33Å; I137-Y161 HydrophobicContact CG1-CE2 4.45Å; I137-Y161 HydrophobicContact CG2-CE1 4.39Å; I137-Y161 HydrophobicContact CG2-CE2 4.34Å; M157-Y161 HydrophobicContact CG-CD2 3.77Å; M157-Y161 HydrophobicContact CG-CE2 3.5Å; M157-Y161 VanDerWaalsContact O-CD2 3.24Å; M157-Y161 WeakPolarHBondContact O-CD2 3.5Å; M157-Y161 PolarHBondContact O-N 3.28Å; M157-Y161 HydrophobicContact SD-CE2 4.09Å; G158-Y161 PolarHBondContact O-N 2.94Å; I159-Y161 PolarHBondContact O-N 3.38Å; Y161-S163 VanDerWaalsContact C-N 3.3Å; Y161-S163 PolarHBondContact O-N 3.45Å; Y161-I164 HydrophobicContact CD1-CD1 3.97Å; Y161-I164 HydrophobicContact CD1-CG1 4.46Å; Y161-I164 HydrophobicContact CE1-CD1 4.44Å; Y161-I164 VanDerWaalsContact O-CG1 3.29Å; Y161-I164 WeakPolarHBondContact O-CG1 3.47Å; Y161-I164 PolarHBondContact O-N 2.84Å; Y161-G165 PolarHBondContact O-N 3.5Å; Y161-N166 HydrophobicContact CD1-CB 4.12Å; Y161-N166 PolarHBondContact O-N 3.48Å; Y161-K169 HydrophobicContact CD1-CB 3.81Å; Y161-K169 HydrophobicContact CD1-CD 3.99Å; Y161-K169 HydrophobicContact CD2-CB 3.92Å; Y161-K169 HydrophobicContact CE1-CB 4.07Å; Y161-K169 HydrophobicContact CE1-CD 3.45Å; Y161-K169 VanDerWaalsContact CE1-CD 3.45Å; Y161-K169 HydrophobicContact CE1-CG 4.42Å; Y161-K169 HydrophobicContact CE2-CB 4.14Å; Y161-K169 HydrophobicContact CE2-CD 4.33Å; Y161-K169 HydrophobicContact CG-CB 3.76Å; Y161-C173 VanDerWaalsContact CD2-SG 3.59Å
162S97.4Very high97.5Very high20 Ų2044.7 Ų44.714%0.1423%0.232CC..Hα-helixtrans-60.1-40.5174.1-75.40000111.7G158 I159 I164 G165 Y167 A170G158-S162 WeakPolarHBondContact O-CB 3.45Å; G158-S162 PolarHBondContact O-N 3.12Å; G158-S162 PolarHBondContact O-OG 2.96Å; I159-S162 WeakPolarHBondContact O-CB 3.5Å; I159-S162 PolarHBondContact O-N 3.03Å; S162-I164 PolarHBondContact O-N 3.4Å; S162-G165 PolarHBondContact O-N 3.23Å; S162-G165 VanDerWaalsContact O-N 3.15Å; S162-Y167 WeakPolarHBondContact O-CE1 3.48Å; S162-A170 VanDerWaalsContact OG-CB 3.24Å; S162-A170 WeakPolarHBondContact OG-CB 3.35Å
163S96.9Very high97.5Very high65 Ų6539.4 Ų39.446%0.45521%0.21SC..Hα-helixtrans-68.2-31.5-179.7-62.50000113.6H133 I159 A160 Y161 G165H133-S163 VanDerWaalsContact CD2-CB 3.4Å; H133-S163 WeakPolarHBondContact CD2-CB 3.44Å; H133-S163 WeakPolarHBondContact CE1-CB 3.33Å; H133-S163 PolarHBondContact CE1-OG 3.12Å; H133-S163 WeakPolarHBondContact NE2-CB 3.48Å; I159-S163 PolarHBondContact O-N 3.36Å; I159-S163 PolarHBondContact O-OG 2.92Å; A160-S163 PolarHBondContact O-N 2.85Å; Y161-S163 VanDerWaalsContact C-N 3.3Å; Y161-S163 PolarHBondContact O-N 3.45Å; S163-G165 VanDerWaalsContact C-N 3.26Å; S163-G165 PolarHBondContact O-N 2.99Å
164I96.9Very high97.6Very high81 Ų8139.4 Ų39.442%0.41521%0.21SC..THydrogen-bonded Turntrans-86.67.9173.367.7173.2000113.3H133 I137 A160 Y161 S162 N166H133-I164 HydrophobicContact CB-CG2 3.48Å; H133-I164 VanDerWaalsContact CB-CG2 3.48Å; I137-I164 HydrophobicContact CD1-CD1 3.76Å; A160-I164 PolarHBondContact O-N 2.76Å; Y161-I164 HydrophobicContact CD1-CD1 3.97Å; Y161-I164 HydrophobicContact CD1-CG1 4.46Å; Y161-I164 HydrophobicContact CE1-CD1 4.44Å; Y161-I164 VanDerWaalsContact O-CG1 3.29Å; Y161-I164 WeakPolarHBondContact O-CG1 3.47Å; Y161-I164 PolarHBondContact O-N 2.84Å; S162-I164 PolarHBondContact O-N 3.4Å; I164-N166 VanDerWaalsContact C-N 3.31Å; I164-N166 HydrophobicContact CG1-CB 4.24Å; I164-N166 PolarHBondContact O-N 2.69Å
165G95.2Very high97.5Very high37 Ų3743.4 Ų43.438%0.38123%0.225SC..THydrogen-bonded Turntrans77.96.5177.800000115.4Y161 S162 S163 Y167Y161-G165 PolarHBondContact O-N 3.5Å; S162-G165 PolarHBondContact O-N 3.23Å; S162-G165 VanDerWaalsContact O-N 3.15Å; S163-G165 VanDerWaalsContact C-N 3.26Å; S163-G165 PolarHBondContact O-N 2.99Å; G165-Y167 VanDerWaalsContact C-N 3.31Å; G165-Y167 WeakPolarHBondContact O-CD2 3.36Å; G165-Y167 PolarHBondContact O-N 2.89Å; G165-Y167 VanDerWaalsContact O-N 3.09Å
166N96.2Very high97.5Very high56 Ų5647.6 Ų47.630%0.29924%0.241SC..  trans-87.172.3176-164.7-31.6000110.8Y161 I164 A168 K169 A170Y161-N166 HydrophobicContact CD1-CB 4.12Å; Y161-N166 PolarHBondContact O-N 3.48Å; I164-N166 VanDerWaalsContact C-N 3.31Å; I164-N166 HydrophobicContact CG1-CB 4.24Å; I164-N166 PolarHBondContact O-N 2.69Å; N166-A168 VanDerWaalsContact C-N 3.29Å; N166-A168 PolarHBondContact O-N 2.83Å; N166-K169 PolarHBondContact O-N 2.8Å; N166-K169 WeakPolarHBondContact OD1-CB 3.34Å; N166-K169 WeakPolarHBondContact OD1-CG 3.34Å; N166-K169 PolarHBondContact OD1-N 3.4Å; N166-K169 VanDerWaalsContact OD1-N 3.11Å; N166-A170 PolarHBondContact O-N 3.03Å
167Y97.1Very high97.5Very high46 Ų4643.9 Ų43.918%0.1823%0.227CC..Hα-helixtrans-64.5-31.3-176-55.5-60.3000113.2S162 G165 A170 V171 K197S162-Y167 WeakPolarHBondContact O-CE1 3.48Å; G165-Y167 VanDerWaalsContact C-N 3.31Å; G165-Y167 WeakPolarHBondContact O-CD2 3.36Å; G165-Y167 PolarHBondContact O-N 2.89Å; G165-Y167 VanDerWaalsContact O-N 3.09Å; Y167-A170 WeakPolarHBondContact O-CB 3.39Å; Y167-A170 PolarHBondContact O-N 2.72Å; Y167-V171 VanDerWaalsContact O-CG2 3.3Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 3.39Å; Y167-K197 HydrophobicContact CD1-CB 3.82Å; Y167-K197 HydrophobicContact CD1-CD 3.93Å; Y167-K197 HydrophobicContact CD2-CB 3.82Å; Y167-K197 HydrophobicContact CE1-CB 3.88Å; Y167-K197 HydrophobicContact CE1-CD 3.24Å; Y167-K197 HydrophobicContact CE1-CG 4.23Å; Y167-K197 HydrophobicContact CE2-CB 3.86Å; Y167-K197 HydrophobicContact CE2-CD 4.16Å; Y167-K197 HydrophobicContact CG-CB 3.8Å; Y167-K197 WeakPolarHBondContact OH-CD 3.44Å
168A96.7Very high97.4Very high44 Ų4444.6 Ų44.636%0.36423%0.231SC..Hα-helixtrans-60.4-51.7176.300000111.6N166 A170 V171 E172 L198N166-A168 VanDerWaalsContact C-N 3.29Å; N166-A168 PolarHBondContact O-N 2.83Å; A168-A170 VanDerWaalsContact C-N 3.32Å; A168-A170 PolarHBondContact O-N 2.67Å; A168-V171 PolarHBondContact O-N 3.44Å; A168-E172 PolarHBondContact O-N 3.47Å; A168-L198 HydrophobicContact CB-CD1 4.09Å
169K97.1Very high97.4Very high92 Ų9250.6 Ų50.640%0.426%0.259SS..Hα-helixtrans-66.3-34.2175.7-72.5-169.2177.6-176.70112.5Y161 N166 E172 C173Y161-K169 HydrophobicContact CD1-CB 3.81Å; Y161-K169 HydrophobicContact CD1-CD 3.99Å; Y161-K169 HydrophobicContact CD2-CB 3.92Å; Y161-K169 HydrophobicContact CE1-CB 4.07Å; Y161-K169 HydrophobicContact CE1-CD 3.45Å; Y161-K169 VanDerWaalsContact CE1-CD 3.45Å; Y161-K169 HydrophobicContact CE1-CG 4.42Å; Y161-K169 HydrophobicContact CE2-CB 4.14Å; Y161-K169 HydrophobicContact CE2-CD 4.33Å; Y161-K169 HydrophobicContact CG-CB 3.76Å; N166-K169 PolarHBondContact O-N 2.8Å; N166-K169 WeakPolarHBondContact OD1-CB 3.34Å; N166-K169 WeakPolarHBondContact OD1-CG 3.34Å; N166-K169 PolarHBondContact OD1-N 3.4Å; N166-K169 VanDerWaalsContact OD1-N 3.11Å; K169-E172 PolarHBondContact O-N 3.06Å; K169-C173 PolarHBondContact O-N 3.37Å; K169-C173 PolarHBondContact O-SG 3.22Å
170A98Very high97.3Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-60.5-46.917600000111.6G158 S162 N166 Y167 A168 E172 C173 Y174 A194G158-A170 WeakPolarHBondContact O-CB 3.26Å; S162-A170 VanDerWaalsContact OG-CB 3.24Å; S162-A170 WeakPolarHBondContact OG-CB 3.35Å; N166-A170 PolarHBondContact O-N 3.03Å; Y167-A170 WeakPolarHBondContact O-CB 3.39Å; Y167-A170 PolarHBondContact O-N 2.72Å; A168-A170 VanDerWaalsContact C-N 3.32Å; A168-A170 PolarHBondContact O-N 2.67Å; A170-E172 PolarHBondContact O-N 3.4Å; A170-C173 WeakPolarHBondContact O-CB 3.35Å; A170-C173 PolarHBondContact O-N 2.9Å; A170-Y174 HydrophobicContact CB-CD2 4.43Å; A170-Y174 HydrophobicContact CB-CE2 3.95Å; A170-Y174 WeakPolarHBondContact O-CD2 3.28Å; A170-Y174 PolarHBondContact O-N 3.05Å; A170-A194 HydrophobicContact CB-CB 4.24Å
171V98Very high97.2Very high8 Ų853.1 Ų53.15%0.04827%0.273CS..Hα-helixtrans-57.3-47.4175.91670000111.4Y167 A168 C173 Y174 R175 L191 A194 E195 L198Y167-V171 VanDerWaalsContact O-CG2 3.3Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 3.39Å; A168-V171 PolarHBondContact O-N 3.44Å; V171-C173 VanDerWaalsContact C-N 3.32Å; V171-C173 PolarHBondContact O-N 3.48Å; V171-Y174 PolarHBondContact O-N 3.31Å; V171-R175 HydrophobicContact CG1-CG 4.47Å; V171-R175 WeakPolarHBondContact O-CB 3.49Å; V171-R175 WeakPolarHBondContact O-CG 3.48Å; V171-R175 PolarHBondContact O-N 2.95Å; V171-L191 HydrophobicContact CB-CD1 4.17Å; V171-L191 HydrophobicContact CG1-CD1 3.82Å; V171-L191 HydrophobicContact CG2-CD1 4.14Å; V171-A194 HydrophobicContact CG2-CB 3.77Å; V171-E195 HydrophobicContact CG1-CG 4.23Å; V171-E195 HydrophobicContact CG2-CG 3.7Å; V171-L198 HydrophobicContact CG2-CD2 4.47Å
172E97.6Very high97Very high130 Ų13055.4 Ų55.461%0.60729%0.292SS*.Hα-helixtrans-57.1-45.8175.9-69.9179.4177.400111.8A168 K169 A170 R175 K176A168-E172 PolarHBondContact O-N 3.47Å; K169-E172 PolarHBondContact O-N 3.06Å; A170-E172 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 3.01Å; E172-K176 WeakPolarHBondContact O-CG 3.47Å; E172-K176 PolarHBondContact O-N 3.48Å
173C97.7Very high96.9Very high9 Ų961.1 Ų61.16%0.06132%0.321CS..Hα-helixtrans-62.8-47179-65.30000112M157 Y161 K169 A170 V171 K176 G177M157-C173 HydrophobicContact CE-CB 4.45Å; M157-C173 WeakPolarHBondContact CE-SG 3.3Å; Y161-C173 VanDerWaalsContact CD2-SG 3.59Å; K169-C173 PolarHBondContact O-N 3.37Å; K169-C173 PolarHBondContact O-SG 3.22Å; A170-C173 WeakPolarHBondContact O-CB 3.35Å; A170-C173 PolarHBondContact O-N 2.9Å; V171-C173 VanDerWaalsContact C-N 3.32Å; V171-C173 PolarHBondContact O-N 3.48Å; C173-K176 PolarHBondContact O-N 3.47Å; C173-G177 PolarHBondContact O-N 3.24Å
174Y98.4Very high96.8Very high1 Ų159.4 Ų59.40%0.00431%0.306CS..Hα-helixtrans-65.3-40.7179.5-64.1-55.4000112.2G155 G158 I159 A170 V171 K176 G177 L178 C187 N190 L191 A194G155-Y174 WeakPolarHBondContact O-CE1 3.32Å; G158-Y174 PolarHBondContact O-OH 3.46Å; I159-Y174 WeakPolarHBondContact CA-OH 3.32Å; I159-Y174 HydrophobicContact CG1-CE1 4.21Å; I159-Y174 WeakPolarHBondContact CG1-OH 3.45Å; I159-Y174 PolarHBondContact N-OH 2.74Å; A170-Y174 HydrophobicContact CB-CD2 4.43Å; A170-Y174 HydrophobicContact CB-CE2 3.95Å; A170-Y174 WeakPolarHBondContact O-CD2 3.28Å; A170-Y174 PolarHBondContact O-N 3.05Å; V171-Y174 PolarHBondContact O-N 3.31Å; Y174-K176 PolarHBondContact O-N 3.32Å; Y174-G177 PolarHBondContact O-N 2.81Å; Y174-L178 WeakPolarHBondContact O-CB 3.38Å; Y174-L178 VanDerWaalsContact O-CG 3.31Å; Y174-L178 WeakPolarHBondContact O-CG 3.42Å; Y174-L178 PolarHBondContact O-N 3.11Å; Y174-C187 HydrophobicContact CD1-CB 4.38Å; Y174-N190 HydrophobicContact CD1-CB 4.19Å; Y174-N190 HydrophobicContact CD2-CB 4.39Å; Y174-N190 HydrophobicContact CE1-CB 3.56Å; Y174-N190 HydrophobicContact CE2-CB 3.81Å; Y174-N190 WeakPolarHBondContact OH-CB 3.32Å; Y174-L191 HydrophobicContact CD2-CB 4.36Å; Y174-L191 HydrophobicContact CG-CB 4.32Å; Y174-A194 HydrophobicContact CD2-CB 4.3Å; Y174-A194 HydrophobicContact CE2-CB 4.08Å
175R97.9Very high96.7Very high130 Ų13062.1 Ų62.149%0.49132%0.317SS..Hα-helixtrans-60.1-45.8175-73.5177.8179.9175.70.6111.2V171 E172 G177 L178 E179 L191 E195V171-R175 HydrophobicContact CG1-CG 4.47Å; V171-R175 WeakPolarHBondContact O-CB 3.49Å; V171-R175 WeakPolarHBondContact O-CG 3.48Å; V171-R175 PolarHBondContact O-N 2.95Å; E172-R175 PolarHBondContact O-N 3.01Å; R175-G177 PolarHBondContact O-N 2.92Å; R175-L178 PolarHBondContact O-N 2.91Å; R175-E179 WeakPolarHBondContact O-CG 3.48Å; R175-E179 PolarHBondContact O-N 3.43Å; R175-L191 HydrophobicContact CG-CD1 4.03Å; R175-L191 HydrophobicContact CG-CD2 4.06Å; R175-E195 IonicContact CZ-OE1 2.72Å; R175-E195 IonicContact NE-OE1 2.71Å; R175-E195 PolarHBondContact NE-OE1 3.26Å; R175-E195 IonicContact NH2-OE1 3.51Å; R175-E195 PolarHBondContact NH2-OE1 3.24Å
176K97.2Very high96.7Very high93 Ų9365.6 Ų65.640%0.40433%0.327SS..Hα-helixtrans-61.7-40173.1-72.4-49.1-170.2-1670113.3Y154 E172 C173 Y174 L178 E179 L180Y154-K176 HydrophobicContact CD1-CB 3.63Å; Y154-K176 HydrophobicContact CE1-CB 3.73Å; Y154-K176 HydrophobicContact CE1-CG 4.23Å; Y154-K176 HydrophobicContact CG-CB 4.06Å; E172-K176 WeakPolarHBondContact O-CG 3.47Å; E172-K176 PolarHBondContact O-N 3.48Å; C173-K176 PolarHBondContact O-N 3.47Å; Y174-K176 PolarHBondContact O-N 3.32Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 3.36Å; K176-E179 VanDerWaalsContact CD-OE2 3.23Å; K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 IonicContact NZ-OE1 3.68Å; K176-E179 PolarHBondContact NZ-OE1 3.5Å; K176-E179 IonicContact NZ-OE2 2.86Å; K176-E179 PolarHBondContact NZ-OE2 2.95Å; K176-E179 PolarHBondContact O-N 3.25Å; K176-L180 PolarHBondContact O-N 2.81Å
177G97.1Very high96.6Very high0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-60.5-41.6173.600000112.7C173 Y174 R175 L180 D181C173-G177 PolarHBondContact O-N 3.24Å; Y174-G177 PolarHBondContact O-N 2.81Å; R175-G177 PolarHBondContact O-N 2.92Å; G177-L180 PolarHBondContact O-N 3.09Å; G177-D181 PolarHBondContact O-N 3.25Å
178L97.3Very high96.7Very high28 Ų2865.5 Ų65.515%0.14733%0.327CS..Hα-helixtrans-76.6-26.7179.7-69.7168.5000113.6Y174 R175 K176 L180 D181 P182 N184 C187 Q188 L191Y174-L178 WeakPolarHBondContact O-CB 3.38Å; Y174-L178 VanDerWaalsContact O-CG 3.31Å; Y174-L178 WeakPolarHBondContact O-CG 3.42Å; Y174-L178 PolarHBondContact O-N 3.11Å; R175-L178 PolarHBondContact O-N 2.91Å; K176-L178 VanDerWaalsContact C-N 3.33Å; K176-L178 PolarHBondContact O-N 3.36Å; L178-L180 PolarHBondContact O-N 2.88Å; L178-D181 CarbonylContact O-C 3.59Å; L178-P182 VanDerWaalsContact O-CA 3.25Å; L178-P182 WeakPolarHBondContact O-CA 3.24Å; L178-P182 WeakPolarHBondContact O-CG 3.26Å; L178-N184 HydrophobicContact CD2-CB 4.27Å; L178-C187 HydrophobicContact CD1-CB 4.38Å; L178-C187 HydrophobicContact CD2-CB 3.7Å; L178-C187 HydrophobicContact CG-CB 3.84Å; L178-Q188 HydrophobicContact CD1-CG 4.1Å; L178-Q188 HydrophobicContact CD2-CG 3.56Å; L178-L191 HydrophobicContact CD1-CD2 3.71Å
179E97.3Very high96.7Very high125 Ų12568.9 Ų68.958%0.58434%0.335SS*.Hα-helixtrans-60-36167.7-76173.8-159.600111R175 K176R175-E179 WeakPolarHBondContact O-CG 3.48Å; R175-E179 PolarHBondContact O-N 3.43Å; K176-E179 VanDerWaalsContact CD-OE2 3.23Å; K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 IonicContact NZ-OE1 3.68Å; K176-E179 PolarHBondContact NZ-OE1 3.5Å; K176-E179 IonicContact NZ-OE2 2.86Å; K176-E179 PolarHBondContact NZ-OE2 2.95Å; K176-E179 PolarHBondContact O-N 3.25Å
180L96.3Very high96.7Very high66 Ų6666.8 Ų66.835%0.34633%0.328SS..Hα-helixtrans-89.3-34.1-178.2-63.8172.4000113.5Y149 Y154 K176 G177 L178Y149-L180 HydrophobicContact CD1-CD2 3.82Å; Y154-L180 HydrophobicContact CD2-CD1 3.67Å; Y154-L180 HydrophobicContact CE2-CD1 3.57Å; K176-L180 PolarHBondContact O-N 2.81Å; G177-L180 PolarHBondContact O-N 3.09Å; L178-L180 PolarHBondContact O-N 2.88Å
181D96Very high96.7Very high56 Ų5667.9 Ų67.930%0.29933%0.334SS..  trans-137.584.4177.3-178.110000110.4G177 L178 N183 N184G177-D181 PolarHBondContact O-N 3.25Å; L178-D181 CarbonylContact O-C 3.59Å; D181-N183 PolarHBondContact O-N 3.37Å; D181-N183 VanDerWaalsContact O-N 3.15Å; D181-N184 HydrophobicContact CB-CB 4.39Å; D181-N184 WeakPolarHBondContact O-CB 3.46Å; D181-N184 PolarHBondContact O-N 3.46Å
182P95.8Very high96.6Very high77 Ų7771 Ų7150%0.536%0.356SS..THydrogen-bonded Turntrans-61.8-23.5-174.9-25.634.5000114.5L178 N184 Q188L178-P182 VanDerWaalsContact O-CA 3.25Å; L178-P182 WeakPolarHBondContact O-CA 3.24Å; L178-P182 WeakPolarHBondContact O-CG 3.26Å; P182-N184 VanDerWaalsContact C-N 3.31Å; P182-N184 PolarHBondContact O-N 3.29Å; P182-Q188 PolarHBondContact O-NE2 3.35Å
183N95.3Very high96.6Very high140 Ų14068.6 Ų68.675%0.74935%0.347SS*.THydrogen-bonded Turntrans-90.17.5-175.9-63.2-34.6000112.9D181 E185D181-N183 PolarHBondContact O-N 3.37Å; D181-N183 VanDerWaalsContact O-N 3.15Å; N183-E185 PolarHBondContact O-N 3.01Å
184N94Very high96.6Very high29 Ų2968.1 Ų68.116%0.15534%0.344CS..  trans-76.489.3180-168.7-34.5000111.6L178 D181 P182 N186 C187 Q188L178-N184 HydrophobicContact CD2-CB 4.27Å; D181-N184 HydrophobicContact CB-CB 4.39Å; D181-N184 WeakPolarHBondContact O-CB 3.46Å; D181-N184 PolarHBondContact O-N 3.46Å; P182-N184 VanDerWaalsContact C-N 3.31Å; P182-N184 PolarHBondContact O-N 3.29Å; N184-N186 VanDerWaalsContact C-N 3.25Å; N184-N186 PolarHBondContact O-N 3.18Å; N184-N186 PolarHBondContact OD1-N 3.41Å; N184-C187 HydrophobicContact CB-CB 4.04Å; N184-C187 VanDerWaalsContact CG-SG 3.54Å; N184-C187 WeakPolarHBondContact O-CB 3.35Å; N184-C187 PolarHBondContact O-N 3.39Å; N184-C187 PolarHBondContact OD1-N 3.2Å; N184-Q188 PolarHBondContact O-N 2.96Å
185E95.6Very high96.5Very high137 Ų13771.6 Ų71.664%0.6436%0.36SS*.Hα-helixtrans-53.5-39.6-179.9-64.2179.1-177.900113N183 C187 Q188 Q189N183-E185 PolarHBondContact O-N 3.01Å; E185-C187 VanDerWaalsContact C-N 3.34Å; E185-C187 PolarHBondContact O-N 3.46Å; E185-Q188 PolarHBondContact O-N 3.35Å; E185-Q189 WeakPolarHBondContact O-CG 3.39Å; E185-Q189 PolarHBondContact O-N 3.21Å
186N94.1Very high96.4Very high110 Ų11071.1 Ų71.159%0.58836%0.363SS*.Hα-helixtrans-63.1-41.5178-70.1-61.6000111.5N184 N190N184-N186 VanDerWaalsContact C-N 3.25Å; N184-N186 PolarHBondContact O-N 3.18Å; N184-N186 PolarHBondContact OD1-N 3.41Å; N186-N190 WeakPolarHBondContact O-CB 3.48Å; N186-N190 VanDerWaalsContact O-CG 3.32Å; N186-N190 PolarHBondContact O-N 3.29Å; N186-N190 PolarHBondContact O-ND2 2.95Å
187C95Very high96.3Very high4 Ų470.8 Ų70.83%0.02736%0.362CS..Hα-helixtrans-66.8-39.3175.6-74.60000111.5Y174 L178 N184 E185 L191Y174-C187 HydrophobicContact CD1-CB 4.38Å; L178-C187 HydrophobicContact CD1-CB 4.38Å; L178-C187 HydrophobicContact CD2-CB 3.7Å; L178-C187 HydrophobicContact CG-CB 3.84Å; N184-C187 HydrophobicContact CB-CB 4.04Å; N184-C187 VanDerWaalsContact CG-SG 3.54Å; N184-C187 WeakPolarHBondContact O-CB 3.35Å; N184-C187 PolarHBondContact O-N 3.39Å; N184-C187 PolarHBondContact OD1-N 3.2Å; E185-C187 VanDerWaalsContact C-N 3.34Å; E185-C187 PolarHBondContact O-N 3.46Å; C187-L191 WeakPolarHBondContact O-CB 3.46Å; C187-L191 PolarHBondContact O-N 3.2Å
188Q97.3Very high96.1Very high97 Ų9773.7 Ų73.745%0.45338%0.377SS..Hα-helixtrans-62.9-47177-64.5-179.90.900111.8L178 P182 N184 E185 L191 S192L178-Q188 HydrophobicContact CD1-CG 4.1Å; L178-Q188 HydrophobicContact CD2-CG 3.56Å; P182-Q188 PolarHBondContact O-NE2 3.35Å; N184-Q188 PolarHBondContact O-N 2.96Å; E185-Q188 PolarHBondContact O-N 3.35Å; Q188-L191 PolarHBondContact O-N 3.03Å; Q188-S192 PolarHBondContact O-N 2.88Å; Q188-S192 VanDerWaalsContact O-N 3.1Å
189Q97.3Very high95.8Very high115 Ų11578.6 Ų78.654%0.53740%0.397SS..Hα-helixtrans-62.3-47.6177.9-71174.2200111.4E185 L191 S192 I193E185-Q189 WeakPolarHBondContact O-CG 3.39Å; E185-Q189 PolarHBondContact O-N 3.21Å; Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 3.18Å; Q189-S192 PolarHBondContact O-N 2.95Å; Q189-I193 WeakPolarHBondContact O-CG1 3Å; Q189-I193 PolarHBondContact O-N 3.39Å; Q189-I193 VanDerWaalsContact O-N 3.11Å
190N97.4Very high95.4Very high47 Ų4776.4 Ų76.425%0.25139%0.389SS..Hα-helixtrans-68.8-31.2179.9-73.4-52.1000113.1Y174 N186 A194Y174-N190 HydrophobicContact CD1-CB 4.19Å; Y174-N190 HydrophobicContact CD2-CB 4.39Å; Y174-N190 HydrophobicContact CE1-CB 3.56Å; Y174-N190 HydrophobicContact CE2-CB 3.81Å; Y174-N190 WeakPolarHBondContact OH-CB 3.32Å; N186-N190 WeakPolarHBondContact O-CB 3.48Å; N186-N190 VanDerWaalsContact O-CG 3.32Å; N186-N190 PolarHBondContact O-N 3.29Å; N186-N190 PolarHBondContact O-ND2 2.95Å; N190-A194 VanDerWaalsContact O-CB 3.28Å; N190-A194 WeakPolarHBondContact O-CB 3.45Å; N190-A194 PolarHBondContact O-N 3.31Å
191L97.7Very high94.6Very high23 Ų2376 Ų7612%0.1239%0.392CS..Hα-helixtrans-60.8-50.6171.6175.359.7000110.5V171 Y174 R175 L178 C187 Q188 Q189 I193 A194 E195V171-L191 HydrophobicContact CB-CD1 4.17Å; V171-L191 HydrophobicContact CG1-CD1 3.82Å; V171-L191 HydrophobicContact CG2-CD1 4.14Å; Y174-L191 HydrophobicContact CD2-CB 4.36Å; Y174-L191 HydrophobicContact CG-CB 4.32Å; R175-L191 HydrophobicContact CG-CD1 4.03Å; R175-L191 HydrophobicContact CG-CD2 4.06Å; L178-L191 HydrophobicContact CD1-CD2 3.71Å; C187-L191 WeakPolarHBondContact O-CB 3.46Å; C187-L191 PolarHBondContact O-N 3.2Å; Q188-L191 PolarHBondContact O-N 3.03Å; Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 3.18Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.02Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.12Å; L191-E195 HydrophobicContact CD1-CG 3.91Å; L191-E195 HydrophobicContact CG-CG 4.39Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 3.27Å
192S97.2Very high93.2Very high73 Ų7375.9 Ų75.951%0.5140%0.396SS..Hα-helixtrans-56.1-47178.2-175.40000111.8Q188 Q189 A194 E195 E196Q188-S192 PolarHBondContact O-N 2.88Å; Q188-S192 VanDerWaalsContact O-N 3.1Å; Q189-S192 PolarHBondContact O-N 2.95Å; S192-A194 PolarHBondContact O-N 3.43Å; S192-E195 PolarHBondContact O-N 3.19Å; S192-E196 WeakPolarHBondContact O-CB 3.35Å; S192-E196 PolarHBondContact O-N 3.25Å
193I96.7Very high91.4Very high80 Ų8075.5 Ų75.541%0.4139%0.39SS..Hα-helixtrans-62.3-42.7176.9-64.5166000111.3Q189 L191 K197Q189-I193 WeakPolarHBondContact O-CG1 3Å; Q189-I193 PolarHBondContact O-N 3.39Å; Q189-I193 VanDerWaalsContact O-N 3.11Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.02Å; I193-K197 HydrophobicContact CG2-CD 4.38Å; I193-K197 WeakPolarHBondContact O-CB 3.14Å; I193-K197 WeakPolarHBondContact O-CG 3.42Å; I193-K197 PolarHBondContact O-N 2.98Å
194A96.8Very high89.4Confident0 Ų075.6 Ų75.60%039%0.39CS..Hα-helixtrans-67.4-39.3179.700000112A170 V171 Y174 N190 L191 S192 K197 L198A170-A194 HydrophobicContact CB-CB 4.24Å; V171-A194 HydrophobicContact CG2-CB 3.77Å; Y174-A194 HydrophobicContact CD2-CB 4.3Å; Y174-A194 HydrophobicContact CE2-CB 4.08Å; N190-A194 VanDerWaalsContact O-CB 3.28Å; N190-A194 WeakPolarHBondContact O-CB 3.45Å; N190-A194 PolarHBondContact O-N 3.31Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.12Å; S192-A194 PolarHBondContact O-N 3.43Å; A194-K197 PolarHBondContact O-N 3.26Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.46Å; A194-L198 PolarHBondContact O-N 3.13Å
195E96.8Very high87.3Confident74 Ų7479.2 Ų79.235%0.34641%0.413SS..Hα-helixtrans-65.2-43.1175.4-72.1-179.1158.200111.7V171 R175 L191 S192 L198 K199V171-E195 HydrophobicContact CG1-CG 4.23Å; V171-E195 HydrophobicContact CG2-CG 3.7Å; R175-E195 IonicContact CZ-OE1 2.72Å; R175-E195 IonicContact NE-OE1 2.71Å; R175-E195 PolarHBondContact NE-OE1 3.26Å; R175-E195 IonicContact NH2-OE1 3.51Å; R175-E195 PolarHBondContact NH2-OE1 3.24Å; L191-E195 HydrophobicContact CD1-CG 3.91Å; L191-E195 HydrophobicContact CG-CG 4.39Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 3.27Å; S192-E195 PolarHBondContact O-N 3.19Å; E195-L198 PolarHBondContact O-N 2.93Å; E195-K199 WeakPolarHBondContact O-CB 3.28Å; E195-K199 PolarHBondContact O-N 3.5Å
196E95.6Very high84.9Confident119 Ų11979.1 Ų79.156%0.55641%0.413SS*.Hα-helixtrans-59.4-48.1174.6-172.2-170.8161.300111.2S192 L198 K199 N200S192-E196 WeakPolarHBondContact O-CB 3.35Å; S192-E196 PolarHBondContact O-N 3.25Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 2.72Å; E196-K199 PolarHBondContact O-N 3.44Å; E196-N200 WeakPolarHBondContact O-CB 2.99Å; E196-N200 PolarHBondContact O-N 3.18Å; E196-N200 PolarHBondContact O-ND2 2.88Å
197K94.7Very high82.5Confident87 Ų8777.1 Ų77.138%0.37841%0.407SS..Hα-helixtrans-65.2-35.7178.2-72.2-171.6176.4-171.30113Y167 I193 A194 S201Y167-K197 HydrophobicContact CD1-CB 3.82Å; Y167-K197 HydrophobicContact CD1-CD 3.93Å; Y167-K197 HydrophobicContact CD2-CB 3.82Å; Y167-K197 HydrophobicContact CE1-CB 3.88Å; Y167-K197 HydrophobicContact CE1-CD 3.24Å; Y167-K197 HydrophobicContact CE1-CG 4.23Å; Y167-K197 HydrophobicContact CE2-CB 3.86Å; Y167-K197 HydrophobicContact CE2-CD 4.16Å; Y167-K197 HydrophobicContact CG-CB 3.8Å; Y167-K197 WeakPolarHBondContact OH-CD 3.44Å; I193-K197 HydrophobicContact CG2-CD 4.38Å; I193-K197 WeakPolarHBondContact O-CB 3.14Å; I193-K197 WeakPolarHBondContact O-CG 3.42Å; I193-K197 PolarHBondContact O-N 2.98Å; A194-K197 PolarHBondContact O-N 3.26Å; K197-S201 WeakPolarHBondContact O-CB 3.39Å; K197-S201 PolarHBondContact O-N 3.16Å; K197-S201 PolarHBondContact O-OG 2.81Å
198L93.4Very high80.1Confident60 Ų6082 Ų8231%0.31444%0.441SS..Hα-helixtrans-65.6-42.9175.3-17663.5000111.1A168 V171 A194 E195 E196 S201 S202A168-L198 HydrophobicContact CB-CD1 4.09Å; V171-L198 HydrophobicContact CG2-CD2 4.47Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.46Å; A194-L198 PolarHBondContact O-N 3.13Å; E195-L198 PolarHBondContact O-N 2.93Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 2.72Å; L198-S201 PolarHBondContact O-N 3.15Å; L198-S202 PolarHBondContact O-N 3.46Å; L198-S202 VanDerWaalsContact O-N 3.08Å; L198-S202 PolarHBondContact O-OG 3.4Å
199K92.3Very high77.2Confident132 Ų13280.9 Ų80.957%0.57446%0.456SS*.Hα-helixtrans-62.8-49.4175.5-173.4-177.1175.8-172.20111.5E195 E196 S201 S202 D203E195-K199 WeakPolarHBondContact O-CB 3.28Å; E195-K199 PolarHBondContact O-N 3.5Å; E196-K199 PolarHBondContact O-N 3.44Å; K199-S201 VanDerWaalsContact C-N 3.25Å; K199-S201 PolarHBondContact O-N 3.47Å; K199-S202 CarbonylContact O-C 3.24Å; K199-S202 WeakPolarHBondContact O-CA 3.49Å; K199-S202 WeakPolarHBondContact O-CB 3.34Å; K199-S202 PolarHBondContact O-N 2.86Å; K199-D203 PolarHBondContact O-N 3.02Å
200N87.7Confident74.8Confident78 Ų7883.1 Ų83.142%0.41747%0.471SS..Hα-helixtrans-62-33.2178.9-66.2-16.7000112.5E196 S202 N204E196-N200 WeakPolarHBondContact O-CB 2.99Å; E196-N200 PolarHBondContact O-N 3.18Å; E196-N200 PolarHBondContact O-ND2 2.88Å; N200-S202 VanDerWaalsContact C-N 3.34Å; N200-N204 PolarHBondContact O-N 3.11Å
201S80.1Confident72.4Confident59 Ų5988.4 Ų88.441%0.41349%0.492SS..Hα-helixtrans-69.2-34.2174.1-570000112.1K197 L198 K199 T205K197-S201 WeakPolarHBondContact O-CB 3.39Å; K197-S201 PolarHBondContact O-N 3.16Å; K197-S201 PolarHBondContact O-OG 2.81Å; L198-S201 PolarHBondContact O-N 3.15Å; K199-S201 VanDerWaalsContact C-N 3.25Å; K199-S201 PolarHBondContact O-N 3.47Å; S201-T205 PolarHBondContact O-OG1 3.12Å
202S66.5Low69.9Low53 Ų5393.9 Ų93.937%0.37153%0.532SS..Hα-helixtrans-75.5-38.8177.2-55.60000111.6L198 K199 N200 N204 T205 Q206L198-S202 PolarHBondContact O-N 3.46Å; L198-S202 VanDerWaalsContact O-N 3.08Å; L198-S202 PolarHBondContact O-OG 3.4Å; K199-S202 CarbonylContact O-C 3.24Å; K199-S202 WeakPolarHBondContact O-CA 3.49Å; K199-S202 WeakPolarHBondContact O-CB 3.34Å; K199-S202 PolarHBondContact O-N 2.86Å; N200-S202 VanDerWaalsContact C-N 3.34Å; S202-N204 VanDerWaalsContact C-N 3.3Å; S202-N204 PolarHBondContact O-N 3.3Å; S202-T205 CarbonylContact O-C 3.49Å; S202-T205 WeakPolarHBondContact O-CA 3.39Å; S202-T205 PolarHBondContact O-N 3.38Å; S202-Q206 WeakPolarHBondContact O-CG 3.25Å; S202-Q206 PolarHBondContact O-N 3.15Å; S202-Q206 VanDerWaalsContact O-N 3.14Å
203D58.2Low67.7Low69 Ų6994.4 Ų94.437%0.36955%0.549SS..Hα-helixtrans-68.7-27.8-178.9-71.8-9.9000112.3K199 T205 Q206K199-D203 PolarHBondContact O-N 3.02Å; D203-T205 PolarHBondContact O-N 3.1Å; D203-Q206 PolarHBondContact O-N 3.41Å; D203-Q206 PolarHBondContact OD1-NE2 3.32Å; D203-Q206 PolarHBondContact OD1-OE1 3.23Å
204N52.7Low65.9Low142 Ų14295.8 Ų95.876%0.75955%0.553SS**THydrogen-bonded Turntrans-69.7-7168.8-84-23.4000114.1N200 S202N200-N204 PolarHBondContact O-N 3.11Å; S202-N204 VanDerWaalsContact C-N 3.3Å; S202-N204 PolarHBondContact O-N 3.3Å
205T51.2Low64.4Low104 Ų104100.2 Ų100.264%0.63858%0.576SS**THydrogen-bonded Turntrans-115.7-1.8176.2-300000112.1S201 S202 D203 S207S201-T205 PolarHBondContact O-OG1 3.12Å; S202-T205 CarbonylContact O-C 3.49Å; S202-T205 WeakPolarHBondContact O-CA 3.39Å; S202-T205 PolarHBondContact O-N 3.38Å; D203-T205 PolarHBondContact O-N 3.1Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.13Å
206Q44.9Very low62.8Low136 Ų136101.4 Ų101.464%0.63658%0.584SS**  trans-92.258.3-178.3-79.5179.942.700112.9S202 D203S202-Q206 WeakPolarHBondContact O-CG 3.25Å; S202-Q206 PolarHBondContact O-N 3.15Å; S202-Q206 VanDerWaalsContact O-N 3.14Å; D203-Q206 PolarHBondContact O-N 3.41Å; D203-Q206 PolarHBondContact OD1-NE2 3.32Å; D203-Q206 PolarHBondContact OD1-OE1 3.23Å
207S42.5Very low61.3Low67 Ų6799.5 Ų99.547%0.46958%0.578SS.*  trans-10948.5152.663.90000110.2T205T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.13Å
208S44.6Very low60.1Low106 Ų10698.7 Ų98.774%0.74158%0.583SS**  trans-16092.4170.3-760000110.9
209G36.7Very low58.9Low74 Ų7499.8 Ų99.876%0.76359%0.586SS**THydrogen-bonded Turntrans-60.8160.7162.100000111.4
210L47Very low57.8Low162 Ų16297.9 Ų97.985%0.84858%0.581SS**THydrogen-bonded Turntrans94.1-10.7170.1-136.178000119.3
211F47.7Very low57Low158 Ų15898.4 Ų98.469%0.69358%0.584SS**  trans-134.933.6178.3-65-75.6000115.3G213 F214F211-G213 PolarHBondContact O-N 3.04Å; F211-F214 HydrophobicContact CB-CB 4.46Å; F211-F214 PolarHBondContact O-N 3.43Å
212S44Very low56.8Low138 Ų13899 Ų9997%0.96558%0.582SS**THydrogen-bonded Turntrans-61.298.8-179.2-166.60000111.5
213G50.8Low57.2Low85 Ų85100.7 Ų100.788%0.87659%0.592SS**THydrogen-bonded Turntrans140.1-15.2-172.400000113.5F211F211-G213 PolarHBondContact O-N 3.04Å
214F59.5Low57.9Low109 Ų109104.4 Ų104.448%0.47861%0.609SS.*  trans-108.7107.4177.5-163.4-96.4000110.2F211 L216 F219F211-F214 HydrophobicContact CB-CB 4.46Å; F211-F214 PolarHBondContact O-N 3.43Å; F214-L216 VanDerWaalsContact C-N 3.29Å; F214-L216 HydrophobicContact CD1-CB 4.37Å; F214-L216 HydrophobicContact CE1-CD1 4.19Å; F214-L216 PolarHBondContact O-N 2.9Å; F214-F219 HydrophobicContact CE1-CB 3.88Å; F214-F219 AromaticContact CE1-CD1 3.68Å; F214-F219 HydrophobicContact CE1-CD1 3.68Å; F214-F219 AromaticContact CE1-CD2 3.84Å; F214-F219 HydrophobicContact CE1-CD2 3.84Å; F214-F219 HydrophobicContact CE1-CE1 4.1Å; F214-F219 HydrophobicContact CE1-CE2 4.24Å; F214-F219 AromaticContact CE1-CG 3.54Å; F214-F219 HydrophobicContact CE1-CG 3.54Å; F214-F219 HydrophobicContact CE1-CZ 4.36Å; F214-F219 HydrophobicContact CE2-CD2 4.08Å; F214-F219 HydrophobicContact CE2-CE2 4.17Å; F214-F219 HydrophobicContact CZ-CB 4.18Å; F214-F219 AromaticContact CZ-CD1 3.82Å; F214-F219 HydrophobicContact CZ-CD1 3.82Å; F214-F219 AromaticContact CZ-CD2 3.26Å; F214-F219 HydrophobicContact CZ-CD2 3.26Å; F214-F219 AromaticContact CZ-CE1 3.93Å; F214-F219 HydrophobicContact CZ-CE1 3.93Å; F214-F219 AromaticContact CZ-CE2 3.38Å; F214-F219 HydrophobicContact CZ-CE2 3.38Å; F214-F219 AromaticContact CZ-CG 3.5Å; F214-F219 HydrophobicContact CZ-CG 3.5Å; F214-F219 VanDerWaalsContact CZ-CG 3.5Å; F214-F219 AromaticContact CZ-CZ 3.73Å; F214-F219 HydrophobicContact CZ-CZ 3.73Å
215D64.7Low58.9Low93 Ų9399.1 Ų99.150%0.49758%0.581SS.*  trans-7486.6172.2-175.2-8.1000109.4N217 S218 F219D215-N217 PolarHBondContact O-N 2.87Å; D215-N217 WeakPolarHBondContact OD1-CA 3.48Å; D215-N217 WeakPolarHBondContact OD1-CB 3.26Å; D215-N217 PolarHBondContact OD1-N 3.35Å; D215-S218 VanDerWaalsContact CG-CB 3.46Å; D215-S218 VanDerWaalsContact CG-OG 3.26Å; D215-S218 PolarHBondContact O-N 2.94Å; D215-S218 PolarHBondContact OD1-N 3.22Å; D215-S218 VanDerWaalsContact OD2-CB 3.24Å; D215-S218 WeakPolarHBondContact OD2-CB 3.29Å; D215-S218 PolarHBondContact OD2-OG 3.41Å; D215-F219 WeakPolarHBondContact O-CB 3.44Å; D215-F219 PolarHBondContact O-N 3.38Å
216L64Low60Low98 Ų9897.5 Ų97.551%0.51357%0.566SS.*Hα-helixtrans-57.3-29.1176.1-176.563.3000111.4F214 F219 L220F214-L216 VanDerWaalsContact C-N 3.29Å; F214-L216 HydrophobicContact CD1-CB 4.37Å; F214-L216 HydrophobicContact CE1-CD1 4.19Å; F214-L216 PolarHBondContact O-N 2.9Å; L216-F219 HydrophobicContact CD1-CD1 4.08Å; L216-F219 PolarHBondContact O-N 3.36Å; L216-L220 HydrophobicContact CD1-CD1 3.96Å; L216-L220 HydrophobicContact CD1-CD2 4.34Å; L216-L220 HydrophobicContact CD1-CG 3.88Å; L216-L220 HydrophobicContact CD2-CD1 4.28Å; L216-L220 HydrophobicContact CG-CD1 3.73Å; L216-L220 HydrophobicContact CG-CG 4.08Å; L216-L220 VanDerWaalsContact O-CB 3.3Å; L216-L220 WeakPolarHBondContact O-CB 3.41Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.48Å
217N63.4Low61.6Low79 Ų7995.1 Ų95.142%0.42256%0.557SS.*Hα-helixtrans-75-38.7-179.4-169.660000111.8D215 N221D215-N217 PolarHBondContact O-N 2.87Å; D215-N217 WeakPolarHBondContact OD1-CA 3.48Å; D215-N217 WeakPolarHBondContact OD1-CB 3.26Å; D215-N217 PolarHBondContact OD1-N 3.35Å; N217-N221 VanDerWaalsContact O-CB 3.28Å; N217-N221 WeakPolarHBondContact O-CB 3.43Å; N217-N221 PolarHBondContact O-N 2.96Å; N217-N221 VanDerWaalsContact O-N 3.1Å; N217-N221 PolarHBondContact O-ND2 3.2Å; N217-N221 PolarHBondContact OD1-ND2 2.89Å
218S71Confident63.2Low71 Ų7197.4 Ų97.450%0.49756%0.562SS.*Hα-helixtrans-69.8-34170.2-71.40000112.4D215 N222D215-S218 VanDerWaalsContact CG-CB 3.46Å; D215-S218 VanDerWaalsContact CG-OG 3.26Å; D215-S218 PolarHBondContact O-N 2.94Å; D215-S218 PolarHBondContact OD1-N 3.22Å; D215-S218 VanDerWaalsContact OD2-CB 3.24Å; D215-S218 WeakPolarHBondContact OD2-CB 3.29Å; D215-S218 PolarHBondContact OD2-OG 3.41Å; S218-N222 PolarHBondContact O-N 3.45Å
219F68.2Low64.4Low82 Ų8294.3 Ų94.336%0.3654%0.543SS..Hα-helixtrans-65.1-51.7175.2-172.8-103.8000111F214 D215 L216 N221 N222 M225F214-F219 HydrophobicContact CE1-CB 3.88Å; F214-F219 AromaticContact CE1-CD1 3.68Å; F214-F219 HydrophobicContact CE1-CD1 3.68Å; F214-F219 AromaticContact CE1-CD2 3.84Å; F214-F219 HydrophobicContact CE1-CD2 3.84Å; F214-F219 HydrophobicContact CE1-CE1 4.1Å; F214-F219 HydrophobicContact CE1-CE2 4.24Å; F214-F219 AromaticContact CE1-CG 3.54Å; F214-F219 HydrophobicContact CE1-CG 3.54Å; F214-F219 HydrophobicContact CE1-CZ 4.36Å; F214-F219 HydrophobicContact CE2-CD2 4.08Å; F214-F219 HydrophobicContact CE2-CE2 4.17Å; F214-F219 HydrophobicContact CZ-CB 4.18Å; F214-F219 AromaticContact CZ-CD1 3.82Å; F214-F219 HydrophobicContact CZ-CD1 3.82Å; F214-F219 AromaticContact CZ-CD2 3.26Å; F214-F219 HydrophobicContact CZ-CD2 3.26Å; F214-F219 AromaticContact CZ-CE1 3.93Å; F214-F219 HydrophobicContact CZ-CE1 3.93Å; F214-F219 AromaticContact CZ-CE2 3.38Å; F214-F219 HydrophobicContact CZ-CE2 3.38Å; F214-F219 AromaticContact CZ-CG 3.5Å; F214-F219 HydrophobicContact CZ-CG 3.5Å; F214-F219 VanDerWaalsContact CZ-CG 3.5Å; F214-F219 AromaticContact CZ-CZ 3.73Å; F214-F219 HydrophobicContact CZ-CZ 3.73Å; D215-F219 WeakPolarHBondContact O-CB 3.44Å; D215-F219 PolarHBondContact O-N 3.38Å; L216-F219 HydrophobicContact CD1-CD1 4.08Å; L216-F219 PolarHBondContact O-N 3.36Å; F219-N221 PolarHBondContact O-N 3.24Å; F219-N222 WeakPolarHBondContact O-CB 3.47Å; F219-N222 PolarHBondContact O-N 2.85Å; F219-M225 HydrophobicContact CB-SD 4.08Å; F219-M225 HydrophobicContact CD1-CE 4.42Å; F219-M225 HydrophobicContact CD1-CG 4.22Å; F219-M225 HydrophobicContact CD1-SD 3.1Å; F219-M225 WeakPolarHBondContact CD1-SD 3.31Å; F219-M225 HydrophobicContact CD2-CE 3.63Å; F219-M225 HydrophobicContact CD2-SD 3.06Å; F219-M225 WeakPolarHBondContact CD2-SD 3.45Å; F219-M225 HydrophobicContact CE1-CE 3.97Å; F219-M225 HydrophobicContact CE1-CG 4.14Å; F219-M225 HydrophobicContact CE1-SD 3.08Å; F219-M225 WeakPolarHBondContact CE1-SD 3.44Å; F219-M225 HydrophobicContact CE2-CE 3.07Å; F219-M225 HydrophobicContact CE2-SD 3.04Å; F219-M225 WeakPolarHBondContact CE2-SD 3.37Å; F219-M225 HydrophobicContact CG-CE 4.27Å; F219-M225 HydrophobicContact CG-SD 3.09Å; F219-M225 WeakPolarHBondContact CG-SD 3.43Å; F219-M225 HydrophobicContact CZ-CE 3.27Å; F219-M225 HydrophobicContact CZ-CG 4.39Å; F219-M225 HydrophobicContact CZ-SD 3.04Å; F219-M225 WeakPolarHBondContact CZ-SD 3.36Å; F219-M225 WeakPolarHBondContact O-CB 3.5Å; F219-M225 WeakPolarHBondContact O-CG 3.47Å
220L68.9Low66.3Low92 Ų9297.3 Ų97.348%0.48253%0.531SS..Hα-helixtrans-70.4-27-179.3-67.3176.1000114.1L216 N222 Q226L216-L220 HydrophobicContact CD1-CD1 3.96Å; L216-L220 HydrophobicContact CD1-CD2 4.34Å; L216-L220 HydrophobicContact CD1-CG 3.88Å; L216-L220 HydrophobicContact CD2-CD1 4.28Å; L216-L220 HydrophobicContact CG-CD1 3.73Å; L216-L220 HydrophobicContact CG-CG 4.08Å; L216-L220 VanDerWaalsContact O-CB 3.3Å; L216-L220 WeakPolarHBondContact O-CB 3.41Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.48Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-Q226 WeakPolarHBondContact O-CG 3.5Å; L220-Q226 PolarHBondContact O-NE2 3.18Å
221N70.4Confident67.6Low89 Ų8996.3 Ų96.348%0.47652%0.522SS..THydrogen-bonded Turntrans-86.9-1.1174.2-74.1-43.8000113.7N217 F219 P223N217-N221 VanDerWaalsContact O-CB 3.28Å; N217-N221 WeakPolarHBondContact O-CB 3.43Å; N217-N221 PolarHBondContact O-N 2.96Å; N217-N221 VanDerWaalsContact O-N 3.1Å; N217-N221 PolarHBondContact O-ND2 3.2Å; N217-N221 PolarHBondContact OD1-ND2 2.89Å; F219-N221 PolarHBondContact O-N 3.24Å; N221-P223 WeakPolarHBondContact O-CD 3.27Å
222N75.1Confident68.7Low71 Ų7192.9 Ų92.938%0.3851%0.507SS..  trans-74.5122175.3-171.9-19.2000110S218 F219 L220 M224 M225 Q226S218-N222 PolarHBondContact O-N 3.45Å; F219-N222 WeakPolarHBondContact O-CB 3.47Å; F219-N222 PolarHBondContact O-N 2.85Å; L220-N222 VanDerWaalsContact C-N 3.34Å; N222-M224 PolarHBondContact O-N 3.34Å; N222-M224 VanDerWaalsContact O-N 3.16Å; N222-M224 PolarHBondContact OD1-N 2.94Å; N222-M225 HydrophobicContact CB-CB 4.01Å; N222-M225 WeakPolarHBondContact O-CA 3.47Å; N222-M225 WeakPolarHBondContact O-CB 3.38Å; N222-M225 PolarHBondContact O-N 3.23Å; N222-Q226 PolarHBondContact O-N 3.45Å
223P75.1Confident69.9Low89 Ų8992 Ų9258%0.57849%0.489SS*.Hα-helixtrans-55.2-35.1-179.9-25.233.1000113.8N221 M225 Q226 N227N221-P223 WeakPolarHBondContact O-CD 3.27Å; P223-M225 VanDerWaalsContact C-N 3.29Å; P223-M225 PolarHBondContact O-N 3.47Å; P223-Q226 PolarHBondContact O-N 3.25Å; P223-N227 PolarHBondContact O-N 3.02Å; P223-N227 VanDerWaalsContact O-N 3.08Å; P223-N227 PolarHBondContact O-ND2 3.13Å
224M74Confident71.1Confident148 Ų14894.2 Ų94.273%0.72948%0.481SS*.Hα-helixtrans-62.2-41176-174.5-176.2-165.300111.2N222 N227 M228N222-M224 PolarHBondContact O-N 3.34Å; N222-M224 VanDerWaalsContact O-N 3.16Å; N222-M224 PolarHBondContact OD1-N 2.94Å; M224-N227 PolarHBondContact O-N 3.4Å; M224-M228 WeakPolarHBondContact O-CB 3.49Å; M224-M228 PolarHBondContact O-N 3.39Å
225M73.9Confident71.9Confident31 Ų3192.5 Ų92.515%0.15348%0.476CS..Hα-helixtrans-70.4-39.4179.1-162.8125-76.900113F219 N222 P223 N227 M228 A229F219-M225 HydrophobicContact CB-SD 4.08Å; F219-M225 HydrophobicContact CD1-CE 4.42Å; F219-M225 HydrophobicContact CD1-CG 4.22Å; F219-M225 HydrophobicContact CD1-SD 3.1Å; F219-M225 WeakPolarHBondContact CD1-SD 3.31Å; F219-M225 HydrophobicContact CD2-CE 3.63Å; F219-M225 HydrophobicContact CD2-SD 3.06Å; F219-M225 WeakPolarHBondContact CD2-SD 3.45Å; F219-M225 HydrophobicContact CE1-CE 3.97Å; F219-M225 HydrophobicContact CE1-CG 4.14Å; F219-M225 HydrophobicContact CE1-SD 3.08Å; F219-M225 WeakPolarHBondContact CE1-SD 3.44Å; F219-M225 HydrophobicContact CE2-CE 3.07Å; F219-M225 HydrophobicContact CE2-SD 3.04Å; F219-M225 WeakPolarHBondContact CE2-SD 3.37Å; F219-M225 HydrophobicContact CG-CE 4.27Å; F219-M225 HydrophobicContact CG-SD 3.09Å; F219-M225 WeakPolarHBondContact CG-SD 3.43Å; F219-M225 HydrophobicContact CZ-CE 3.27Å; F219-M225 HydrophobicContact CZ-CG 4.39Å; F219-M225 HydrophobicContact CZ-SD 3.04Å; F219-M225 WeakPolarHBondContact CZ-SD 3.36Å; F219-M225 WeakPolarHBondContact O-CB 3.5Å; F219-M225 WeakPolarHBondContact O-CG 3.47Å; N222-M225 HydrophobicContact CB-CB 4.01Å; N222-M225 WeakPolarHBondContact O-CA 3.47Å; N222-M225 WeakPolarHBondContact O-CB 3.38Å; N222-M225 PolarHBondContact O-N 3.23Å; P223-M225 VanDerWaalsContact C-N 3.29Å; P223-M225 PolarHBondContact O-N 3.47Å; M225-N227 PolarHBondContact O-N 2.95Å; M225-M228 PolarHBondContact O-N 3.33Å; M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.39Å
226Q74.4Confident72.4Confident70 Ų7092.1 Ų92.133%0.32748%0.479SS..Hα-helixtrans-63-37.4174.9-69-170.2-0.700111L220 N222 P223 R230L220-Q226 WeakPolarHBondContact O-CG 3.5Å; L220-Q226 PolarHBondContact O-NE2 3.18Å; N222-Q226 PolarHBondContact O-N 3.45Å; P223-Q226 PolarHBondContact O-N 3.25Å; Q226-R230 WeakPolarHBondContact O-CB 3.2Å; Q226-R230 VanDerWaalsContact O-CG 3.22Å; Q226-R230 WeakPolarHBondContact O-CG 3.34Å; Q226-R230 PolarHBondContact O-N 3.42Å
227N77.6Confident73.2Confident85 Ų8593.4 Ų93.446%0.45549%0.486SS..Hα-helixtrans-69.5-42.5175.1-71-19.2000111.9P223 M224 M225 R230 Q231P223-N227 PolarHBondContact O-N 3.02Å; P223-N227 VanDerWaalsContact O-N 3.08Å; P223-N227 PolarHBondContact O-ND2 3.13Å; M224-N227 PolarHBondContact O-N 3.4Å; M225-N227 PolarHBondContact O-N 2.95Å; N227-R230 PolarHBondContact O-N 2.92Å; N227-Q231 WeakPolarHBondContact O-CG 3.37Å; N227-Q231 PolarHBondContact O-N 2.89Å
228M75.8Confident73.7Confident116 Ų11690 Ų9057%0.57147%0.469SS*.Hα-helixtrans-64.2-43175-175.1178.6175.100111.9M224 M225 R230 Q231 F232M224-M228 WeakPolarHBondContact O-CB 3.49Å; M224-M228 PolarHBondContact O-N 3.39Å; M225-M228 PolarHBondContact O-N 3.33Å; M228-R230 VanDerWaalsContact C-N 3.33Å; M228-R230 PolarHBondContact O-N 2.89Å; M228-Q231 PolarHBondContact O-N 3.34Å; M228-F232 VanDerWaalsContact O-CB 3.31Å; M228-F232 WeakPolarHBondContact O-CB 3.45Å; M228-F232 PolarHBondContact O-N 3.44Å
229A70.3Confident73.7Confident40 Ų4091.6 Ų91.633%0.33147%0.469SS..Hα-helixtrans-64.8-37.1176.300000111.6M225 M233M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.39Å; A229-M233 VanDerWaalsContact O-CB 3.28Å; A229-M233 WeakPolarHBondContact O-CB 3.4Å; A229-M233 PolarHBondContact O-N 3.25Å
230R75.7Confident74.1Confident137 Ų13792.2 Ų92.252%0.51748%0.476SS..Hα-helixtrans-65.6-42.7171.3-78.3178.3-174.6120.64.1112Q226 N227 M228 M233 N234Q226-R230 WeakPolarHBondContact O-CB 3.2Å; Q226-R230 VanDerWaalsContact O-CG 3.22Å; Q226-R230 WeakPolarHBondContact O-CG 3.34Å; Q226-R230 PolarHBondContact O-N 3.42Å; N227-R230 PolarHBondContact O-N 2.92Å; M228-R230 VanDerWaalsContact C-N 3.33Å; M228-R230 PolarHBondContact O-N 2.89Å; R230-M233 PolarHBondContact O-N 3.03Å; R230-N234 VanDerWaalsContact O-CB 3.24Å; R230-N234 WeakPolarHBondContact O-CB 3.43Å; R230-N234 PolarHBondContact O-N 3.44Å; R230-N234 PolarHBondContact O-ND2 3.49Å
231Q75.8Confident74.3Confident141 Ų14193.9 Ų93.966%0.65948%0.483SS*.Hα-helixtrans-63.3-44.7175.8-75174.9-6.300111.3N227 M228 N234 D235N227-Q231 WeakPolarHBondContact O-CG 3.37Å; N227-Q231 PolarHBondContact O-N 2.89Å; M228-Q231 PolarHBondContact O-N 3.34Å; Q231-N234 PolarHBondContact O-N 3.34Å; Q231-D235 PolarHBondContact O-N 2.86Å; Q231-D235 VanDerWaalsContact O-N 3.11Å
232F70.4Confident74.2Confident87 Ų8794.6 Ų94.638%0.38249%0.485SS..Hα-helixtrans-67-39.5178.4-165.1-96.2000112.2M228 N234 D235 A238 M242M228-F232 VanDerWaalsContact O-CB 3.31Å; M228-F232 WeakPolarHBondContact O-CB 3.45Å; M228-F232 PolarHBondContact O-N 3.44Å; F232-N234 VanDerWaalsContact C-N 3.31Å; F232-N234 PolarHBondContact O-N 2.99Å; F232-D235 PolarHBondContact O-N 3.45Å; F232-A238 HydrophobicContact CD1-CB 3.85Å; F232-A238 HydrophobicContact CD2-CB 3.54Å; F232-A238 HydrophobicContact CE1-CB 3.76Å; F232-A238 HydrophobicContact CE2-CB 3.44Å; F232-A238 VanDerWaalsContact CE2-CB 3.44Å; F232-A238 HydrophobicContact CG-CB 3.74Å; F232-A238 HydrophobicContact CZ-CB 3.55Å; F232-A238 WeakPolarHBondContact O-CB 3.16Å; F232-M242 HydrophobicContact CE1-CB 4.37Å; F232-M242 HydrophobicContact CE1-SD 4.18Å
233M68.7Low73.9Confident120 Ų12095.3 Ų95.359%0.59149%0.492SS*.Hα-helixtrans-70.9-25.2173.7-84.3-165.6-90.800113.2A229 R230 Q239A229-M233 VanDerWaalsContact O-CB 3.28Å; A229-M233 WeakPolarHBondContact O-CB 3.4Å; A229-M233 PolarHBondContact O-N 3.25Å; R230-M233 PolarHBondContact O-N 3.03Å; M233-Q239 PolarHBondContact O-NE2 3.06Å
234N75.6Confident74Confident131 Ų13195.2 Ų95.270%0.70149%0.486SS*.Hα-helixtrans-86.4-9.1177.1-71.5-19.5000113.3R230 Q231 F232 P236R230-N234 VanDerWaalsContact O-CB 3.24Å; R230-N234 WeakPolarHBondContact O-CB 3.43Å; R230-N234 PolarHBondContact O-N 3.44Å; R230-N234 PolarHBondContact O-ND2 3.49Å; Q231-N234 PolarHBondContact O-N 3.34Å; F232-N234 VanDerWaalsContact C-N 3.31Å; F232-N234 PolarHBondContact O-N 2.99Å; N234-P236 WeakPolarHBondContact O-CD 3.31Å
235D76.9Confident73.9Confident72 Ų7293 Ų9339%0.38548%0.477SS..  trans-90.6117.8177.8-170-23.8000110.6Q231 F232 N237 A238 Q239Q231-D235 PolarHBondContact O-N 2.86Å; Q231-D235 VanDerWaalsContact O-N 3.11Å; F232-D235 PolarHBondContact O-N 3.45Å; D235-N237 PolarHBondContact O-N 3.33Å; D235-N237 PolarHBondContact OD1-N 3.43Å; D235-A238 HydrophobicContact CB-CB 3.92Å; D235-A238 PolarHBondContact O-N 2.87Å; D235-A238 VanDerWaalsContact O-N 3.17Å; D235-Q239 PolarHBondContact O-N 3.16Å; D235-Q239 VanDerWaalsContact O-N 3.07Å
236P75.4Confident73.6Confident86 Ų8694.9 Ų94.956%0.55849%0.487SS*.Hα-helixtrans-57.6-31.3179.6-24.133.5000114N234 N240N234-P236 WeakPolarHBondContact O-CD 3.31Å; P236-N240 PolarHBondContact O-N 2.87Å; P236-N240 PolarHBondContact O-ND2 3.22Å
237N79.7Confident73.4Confident124 Ų12498.9 Ų98.966%0.66350%0.499SS*.Hα-helixtrans-74-36.9-180-68.3-44000111.7D235 N240 M241D235-N237 PolarHBondContact O-N 3.33Å; D235-N237 PolarHBondContact OD1-N 3.43Å; N237-N240 PolarHBondContact O-N 3.42Å; N237-M241 PolarHBondContact O-N 2.89Å
238A75Confident73.2Confident8 Ų8101.5 Ų101.57%0.06651%0.513CS..Hα-helixtrans-69.4-38.9176.900000111.9F232 D235 N240 M241 M242F232-A238 HydrophobicContact CD1-CB 3.85Å; F232-A238 HydrophobicContact CD2-CB 3.54Å; F232-A238 HydrophobicContact CE1-CB 3.76Å; F232-A238 HydrophobicContact CE2-CB 3.44Å; F232-A238 VanDerWaalsContact CE2-CB 3.44Å; F232-A238 HydrophobicContact CG-CB 3.74Å; F232-A238 HydrophobicContact CZ-CB 3.55Å; F232-A238 WeakPolarHBondContact O-CB 3.16Å; D235-A238 HydrophobicContact CB-CB 3.92Å; D235-A238 PolarHBondContact O-N 2.87Å; D235-A238 VanDerWaalsContact O-N 3.17Å; A238-N240 PolarHBondContact O-N 3.17Å; A238-M241 PolarHBondContact O-N 3.14Å; A238-M242 WeakPolarHBondContact O-CB 3.46Å; A238-M242 PolarHBondContact O-N 3.32Å
239Q70.3Confident72.6Confident105 Ų105100.3 Ų100.349%0.49151%0.513SS..Hα-helixtrans-58-47.6171.3-70.7-172.8-6.800111.4M233 D235 M241 M242 T243M233-Q239 PolarHBondContact O-NE2 3.06Å; D235-Q239 PolarHBondContact O-N 3.16Å; D235-Q239 VanDerWaalsContact O-N 3.07Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.43Å; Q239-M242 PolarHBondContact O-N 2.91Å; Q239-T243 WeakPolarHBondContact O-CB 3.2Å; Q239-T243 PolarHBondContact O-N 3Å; Q239-T243 PolarHBondContact O-OG1 3.32Å
240N76.1Confident72.1Confident95 Ų95105.6 Ų105.651%0.50853%0.528SS..Hα-helixtrans-62.7-39.7178.1-73.4-32000112.6P236 N237 A238 N244P236-N240 PolarHBondContact O-N 2.87Å; P236-N240 PolarHBondContact O-ND2 3.22Å; N237-N240 PolarHBondContact O-N 3.42Å; A238-N240 PolarHBondContact O-N 3.17Å; N240-N244 VanDerWaalsContact O-CB 3.28Å; N240-N244 WeakPolarHBondContact O-CB 3.41Å; N240-N244 PolarHBondContact O-N 2.86Å; N240-N244 PolarHBondContact O-ND2 3.43Å; N240-N244 VanDerWaalsContact O-ND2 3.11Å
241M74.9Confident71Confident127 Ų127101.9 Ų101.963%0.62653%0.533SS*.Hα-helixtrans-65.1-43.6176.2-170.6175.5-174.600111.5N237 A238 Q239 N244 L245N237-M241 PolarHBondContact O-N 2.89Å; A238-M241 PolarHBondContact O-N 3.14Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.43Å; M241-N244 PolarHBondContact O-N 3.33Å; M241-L245 WeakPolarHBondContact O-CB 3.45Å; M241-L245 PolarHBondContact O-N 3.23Å
242M67.3Low69.8Low103 Ų10399.3 Ų99.351%0.50753%0.527SS..Hα-helixtrans-66.9-43178.1-169.9147.7-170.900111.5F232 A238 Q239 N244 L245 L246F232-M242 HydrophobicContact CE1-CB 4.37Å; F232-M242 HydrophobicContact CE1-SD 4.18Å; A238-M242 WeakPolarHBondContact O-CB 3.46Å; A238-M242 PolarHBondContact O-N 3.32Å; Q239-M242 PolarHBondContact O-N 2.91Å; M242-N244 VanDerWaalsContact C-N 3.34Å; M242-N244 PolarHBondContact O-N 3.23Å; M242-L245 PolarHBondContact O-N 3.39Å; M242-L246 HydrophobicContact CE-CD1 4.1Å; M242-L246 HydrophobicContact CG-CD1 3.66Å; M242-L246 WeakPolarHBondContact O-CB 3.46Å; M242-L246 WeakPolarHBondContact O-CD1 3.38Å; M242-L246 PolarHBondContact O-N 3.07Å
243T69.2Low68.7Low86 Ų86100 Ų10053%0.52854%0.543SS..Hα-helixtrans-60.7-42.2173.6-57.60000111.3Q239 L246 R247Q239-T243 WeakPolarHBondContact O-CB 3.2Å; Q239-T243 PolarHBondContact O-N 3Å; Q239-T243 PolarHBondContact O-OG1 3.32Å; T243-L246 PolarHBondContact O-N 3.14Å; T243-R247 WeakPolarHBondContact O-CB 3.49Å; T243-R247 PolarHBondContact O-N 3.4Å
244N75.9Confident67.5Low87 Ų87101.6 Ų101.647%0.46555%0.553SS.*Hα-helixtrans-67.3-36.4176.2-73.8-26.9000112.6N240 M241 M242 R247 N248N240-N244 VanDerWaalsContact O-CB 3.28Å; N240-N244 WeakPolarHBondContact O-CB 3.41Å; N240-N244 PolarHBondContact O-N 2.86Å; N240-N244 PolarHBondContact O-ND2 3.43Å; N240-N244 VanDerWaalsContact O-ND2 3.11Å; M241-N244 PolarHBondContact O-N 3.33Å; M242-N244 VanDerWaalsContact C-N 3.34Å; M242-N244 PolarHBondContact O-N 3.23Å; N244-R247 PolarHBondContact O-N 2.92Å; N244-N248 WeakPolarHBondContact O-CB 3.39Å; N244-N248 PolarHBondContact O-N 3.05Å
245L73.9Confident65.7Low103 Ų103101.5 Ų101.554%0.53955%0.553SS.*Hα-helixtrans-69.9-43.7176.1-161.7125.1000110.9M241 M242 R247 N248 T249M241-L245 WeakPolarHBondContact O-CB 3.45Å; M241-L245 PolarHBondContact O-N 3.23Å; M242-L245 PolarHBondContact O-N 3.39Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 PolarHBondContact O-N 3.03Å; L245-N248 PolarHBondContact O-N 3.06Å; L245-T249 VanDerWaalsContact O-CB 3.24Å; L245-T249 WeakPolarHBondContact O-CB 3.19Å; L245-T249 PolarHBondContact O-N 3.06Å; L245-T249 PolarHBondContact O-OG1 3.21Å; L245-T249 VanDerWaalsContact O-OG1 3.05Å
246L65.7Low63.9Low69 Ų69103 Ų10336%0.36157%0.567SS.*Hα-helixtrans-62.8-39.7173.1-94.581.7000111.8M242 T243 F250M242-L246 HydrophobicContact CE-CD1 4.1Å; M242-L246 HydrophobicContact CG-CD1 3.66Å; M242-L246 WeakPolarHBondContact O-CB 3.46Å; M242-L246 WeakPolarHBondContact O-CD1 3.38Å; M242-L246 PolarHBondContact O-N 3.07Å; T243-L246 PolarHBondContact O-N 3.14Å; L246-F250 HydrophobicContact CG-CD2 4.19Å; L246-F250 WeakPolarHBondContact O-CA 3.34Å; L246-F250 WeakPolarHBondContact O-CB 3.22Å; L246-F250 PolarHBondContact O-N 3.22Å
247R71.5Confident61.9Low155 Ų155104.9 Ų104.959%0.58558%0.577SS**Hα-helixtrans-63.8-43.2176.3-177.8179.1139.5-177.2-2.7111.7T243 N244 L245 G251T243-R247 WeakPolarHBondContact O-CB 3.49Å; T243-R247 PolarHBondContact O-N 3.4Å; N244-R247 PolarHBondContact O-N 2.92Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 PolarHBondContact O-N 3.03Å; R247-G251 WeakPolarHBondContact O-CA 3.2Å; R247-G251 PolarHBondContact O-N 3.45Å; R247-G251 VanDerWaalsContact O-N 3.14Å
248N72.4Confident59.9Low140 Ų140105.6 Ų105.675%0.74959%0.586SS**Hα-helixtrans-76.1-30.5178.8-85.523.4000113.7N244 L245N244-N248 WeakPolarHBondContact O-CB 3.39Å; N244-N248 PolarHBondContact O-N 3.05Å; L245-N248 PolarHBondContact O-N 3.06Å
249T63Low57.8Low91 Ų91112.4 Ų112.456%0.55862%0.621SS**Hα-helixtrans-92.8-34.4-176.6-59.30000113.1L245L245-T249 VanDerWaalsContact O-CB 3.24Å; L245-T249 WeakPolarHBondContact O-CB 3.19Å; L245-T249 PolarHBondContact O-N 3.06Å; L245-T249 PolarHBondContact O-OG1 3.21Å; L245-T249 VanDerWaalsContact O-OG1 3.05Å
250F60.8Low56.2Low150 Ų150114.3 Ų114.366%0.65864%0.635SS**Hα-helixtrans-117.81.4-174.1-62.4-77.9000114L246 V252L246-F250 HydrophobicContact CG-CD2 4.19Å; L246-F250 WeakPolarHBondContact O-CA 3.34Å; L246-F250 WeakPolarHBondContact O-CB 3.22Å; L246-F250 PolarHBondContact O-N 3.22Å; F250-V252 HydrophobicContact CB-CG2 4.01Å; F250-V252 PolarHBondContact O-N 2.79Å
251G53.2Low54.1Low60 Ų60113.8 Ų113.862%0.61964%0.639SS**  trans61.128.217400000113.8R247 S253R247-G251 WeakPolarHBondContact O-CA 3.2Å; R247-G251 PolarHBondContact O-N 3.45Å; R247-G251 VanDerWaalsContact O-N 3.14Å; G251-S253 PolarHBondContact O-N 2.96Å
252V49.6Very low52.4Low87 Ų87113 Ų11353%0.52765%0.645SS.*  trans-71.295.1179.3-1730000108.4F250F250-V252 HydrophobicContact CB-CG2 4.01Å; F250-V252 PolarHBondContact O-N 2.79Å
253S46.5Very low50.9Low102 Ų102119 Ų11971%0.71366%0.662SS**  trans-92.1120.1167.8-169.60000108.1G251 N255G251-S253 PolarHBondContact O-N 2.96Å; S253-N255 PolarHBondContact O-N 2.61Å; S253-N255 VanDerWaalsContact O-N 3.1Å
254D44.1Very low49.3Very low152 Ų152121.7 Ų121.781%0.81367%0.674SS**  trans-55.5114.7160.5-72.7-43.2000107.7
255N38.3Very low47.5Very low129 Ų129123.3 Ų123.369%0.6969%0.687SS**  trans-121.6104.8163.4-162.429.7000108.3S253 T257S253-N255 PolarHBondContact O-N 2.61Å; S253-N255 VanDerWaalsContact O-N 3.1Å; N255-T257 PolarHBondContact O-N 3.41Å
256P38.2Very low45.7Very low105 Ų105126.7 Ų126.768%0.68270%0.7SS**  trans-72.7106.1164.929.1-26.3000107.1T258P256-T258 PolarHBondContact O-N 3.21Å
257T34.9Very low44.4Very low124 Ų124128.2 Ų128.276%0.76172%0.723SS**  trans-64.8101.2171.745.40000109.8N255N255-T257 PolarHBondContact O-N 3.41Å
258T36.8Very low42.8Very low140 Ų140127.3 Ų127.386%0.85973%0.729SS**  trans-95.793.4155.751.50000107.9P256P256-T258 PolarHBondContact O-N 3.21Å
259D30.9Very low41.2Very low150 Ų150126.5 Ų126.580%0.80273%0.725SS**  trans-95.4113.7163.9-168.44.2000107.4
260N36.5Very low40.1Very low146 Ų146126.3 Ų126.378%0.78173%0.728SS**  trans-147.793.6159.5-140.9-3.2000110.7
261S32.6Very low39Very low84 Ų84125.6 Ų125.659%0.58773%0.731SS**  trans8.6124.9140.766.10000117.4
262S38.4Very low38.3Very low110 Ų110130.3 Ų130.377%0.76974%0.736SS**  164.8135.1122.7-77.60000113.3
263R36.3Very low37.7Very low229 Ų229130.1 Ų130.186%0.86474%0.739SS**  trans97.791.5153.8-70.4170.9177.1-176.9-1119.3
264N35.8Very low37.4Very low143 Ų143132 Ų13277%0.76575%0.746SS**  62.7142.7106.4-79.78.2000122
265T39Very low37Very low121 Ų121133.3 Ų133.374%0.74275%0.747SS**  trans71.3138.915646.50000116.9
266E34.7Very low37Very low173 Ų173133.1 Ų133.181%0.80876%0.757SS**  cis173.8152.4-19.2-120.2176.4-17700103.4
267A39.7Very low37Very low102 Ų102135.1 Ų135.184%0.84376%0.761SS**  trans67146.2157.800000118.4
268D36.9Very low37.2Very low135 Ų135134 Ų13472%0.72276%0.759SS**  cis-176.6161.2-10.7-170.113.5000106.8
269N40Very low37.1Very low123 Ų123135.8 Ų135.866%0.65876%0.757SS**  trans79.4103.3152.7-89.6-28.6000124.8
270S38.4Very low37.5Very low88 Ų88133.4 Ų133.462%0.61575%0.752SS**  66.4146.2105.272.70000124.2
271N38.9Very low37.6Very low135 Ų135133.5 Ų133.572%0.72275%0.753SS**  trans88.1140.6156.4-83.118.4000118
272E38Very low37.9Very low158 Ų158137 Ų13774%0.73877%0.765SS**  cis-163.1163.42.9-139.8168.6132.400109.6
273S37.3Very low38Very low83 Ų83136.5 Ų136.558%0.5876%0.759SS**  trans-50.6157.117742.40000119.1
274T39.7Very low38.2Very low141 Ų141131.7 Ų131.787%0.86576%0.761SS**  -177.6152.3106.618.50000114.9
275E35Very low38.2Very low180 Ų180128.8 Ų128.884%0.84176%0.764SS**  trans-80.8161.2-166.5-53.9164.9130.600115.4
276S39.6Very low38Very low126 Ų126128.5 Ų128.588%0.88177%0.774SS**  -171.7128.5122.917.20000114.9
277N36.7Very low38.1Very low147 Ų147123.6 Ų123.679%0.78677%0.77SS**  trans-32.4154.6165.5-105.6-25.4000117.3
278S38.9Very low38.1Very low100 Ų100124.4 Ų124.470%0.69977%0.767SS**  -175.9135.559.517.90000114.3
279Q35.6Very low38Very low178 Ų178123.7 Ų123.783%0.83277%0.772SS**  trans33.5125.6141.9-77.1158.9-44.400123.1
280S39.6Very low38.4Very low99 Ų99122.9 Ų122.969%0.69277%0.772SS**  160115.4102.4164.20000115
281N38.7Very low38.7Very low149 Ų149125.7 Ų125.780%0.79778%0.78SS**  trans80.387.6143.8-62-15.7000123.3
282N37.8Very low39.1Very low157 Ų157121.7 Ų121.784%0.8477%0.77SS**  50.9158.5113.1-12422.7000122.8
283P41.8Very low39.7Very low99 Ų99121.4 Ų121.464%0.64377%0.769SS**  -128.8156.3-74.136.6-20.6000113.2
284S39.7Very low40.5Very low129 Ų129120.6 Ų120.690%0.90276%0.763SS**  trans-158117.4165-730000113.2
285G36.7Very low41.2Very low82 Ų82119.9 Ų119.985%0.84575%0.752SS**  trans80.290.4139.100000119.1
286A33.6Very low42.8Very low115 Ų115117 Ų11795%0.9574%0.742SS**  trans-71.6126162.100000111.1
287G37.1Very low43.9Very low69 Ų69117.9 Ų117.971%0.71173%0.733SS**  trans-116144.4170.500000111
288P39.4Very low45.5Very low120 Ų120117.4 Ų117.478%0.77972%0.724SS**  trans-86.7155.7-162.435.1-34.9000114.1
289S36.2Very low47.1Very low120 Ų120117.6 Ų117.684%0.83972%0.716SS**  trans-54.5127.4179.154.90000114.8
290T46.7Very low49.1Very low105 Ų105117.3 Ų117.364%0.64471%0.708SS**  trans-100.46.4-170.442.80000116G292T290-G292 PolarHBondContact O-N 3.24Å
291N46.5Very low50.7Low147 Ų147116.6 Ų116.679%0.78670%0.696SS**THydrogen-bonded Turntrans-85-4.7-171.5-90.13.6000116.4
292G47.2Very low52.5Low51 Ų51111.3 Ų111.353%0.52668%0.676SS.*THydrogen-bonded Turntrans-94.8-29.3-179.400000114.9T290T290-G292 PolarHBondContact O-N 3.24Å
293Q49.8Very low54.5Low152 Ų152109.2 Ų109.271%0.7166%0.661SS**Hα-helixtrans-75.7-28-173.9-70.9178.4-33.900112.9M295 E297Q293-M295 PolarHBondContact O-N 2.98Å; Q293-E297 WeakPolarHBondContact O-CB 3.44Å; Q293-E297 PolarHBondContact O-N 3.15Å
294S53.3Low56.3Low66 Ų66108 Ų10846%0.46265%0.647SS.*Hα-helixtrans-69.1-30.9-179.755.60000113.3F298S294-F298 WeakPolarHBondContact O-CB 3.5Å; S294-F298 PolarHBondContact O-N 3.25Å
295M55.5Low58.2Low127 Ų127106.7 Ų106.763%0.62663%0.629SS**Hα-helixtrans-77.3-39.1-176.4-150.873.2-160.700112.2Q293 E297 F298 L299Q293-M295 PolarHBondContact O-N 2.98Å; M295-E297 VanDerWaalsContact C-N 3.34Å; M295-F298 HydrophobicContact CE-CD1 4.34Å; M295-F298 PolarHBondContact O-N 3.14Å; M295-L299 WeakPolarHBondContact O-CB 3.43Å; M295-L299 PolarHBondContact O-N 2.86Å
296D67.6Low59.9Low119 Ų119105.3 Ų105.364%0.63661%0.61SS**Hα-helixtrans-66.6-39.4174.4-75-36.3000111.2L299 R300D296-L299 PolarHBondContact O-N 2.71Å; D296-R300 WeakPolarHBondContact O-CB 3.4Å; D296-R300 PolarHBondContact O-N 2.93Å
297E63.9Low62.2Low145 Ų145106 Ų10668%0.67859%0.594SS**Hα-helixtrans-64.6-42.2175.9-162.1170.9-163.400111.3Q293 M295 R300 L301Q293-E297 WeakPolarHBondContact O-CB 3.44Å; Q293-E297 PolarHBondContact O-N 3.15Å; M295-E297 VanDerWaalsContact C-N 3.34Å; E297-R300 PolarHBondContact O-N 3.32Å; E297-L301 WeakPolarHBondContact O-CB 3.37Å; E297-L301 PolarHBondContact O-N 3.31Å
298F69.6Low64.1Low136 Ų136108 Ų10860%0.59658%0.584SS**Hα-helixtrans-61.9-45.1173.1-179.7-97.1000112.5S294 M295 R300 L301 G302S294-F298 WeakPolarHBondContact O-CB 3.5Å; S294-F298 PolarHBondContact O-N 3.25Å; M295-F298 HydrophobicContact CE-CD1 4.34Å; M295-F298 PolarHBondContact O-N 3.14Å; F298-R300 VanDerWaalsContact C-N 3.31Å; F298-R300 PolarHBondContact O-N 3.18Å; F298-L301 PolarHBondContact O-N 3.16Å; F298-G302 PolarHBondContact O-N 2.98Å
299L73Confident65.8Low105 Ų105104.4 Ų104.455%0.5556%0.559SS.*Hα-helixtrans-63.9-39.7179.3-167.670.7000111.3M295 D296 G302 Q303M295-L299 WeakPolarHBondContact O-CB 3.43Å; M295-L299 PolarHBondContact O-N 2.86Å; D296-L299 PolarHBondContact O-N 2.71Å; L299-G302 PolarHBondContact O-N 3.46Å; L299-Q303 WeakPolarHBondContact O-CG 3.44Å; L299-Q303 PolarHBondContact O-N 2.93Å
300R76.6Confident67.8Low172 Ų172104.8 Ų104.865%0.64955%0.547SS*.Hα-helixtrans-67.7-41.2177.8-149.917793.6151.36.2111.8D296 E297 F298 Q303 Q304D296-R300 WeakPolarHBondContact O-CB 3.4Å; D296-R300 PolarHBondContact O-N 2.93Å; E297-R300 PolarHBondContact O-N 3.32Å; F298-R300 VanDerWaalsContact C-N 3.31Å; F298-R300 PolarHBondContact O-N 3.18Å; R300-Q303 PolarHBondContact O-N 3.41Å; R300-Q304 PolarHBondContact O-N 3.01Å
301L74.5Confident69.3Low84 Ų84104.1 Ų104.144%0.4455%0.552SS.*Hα-helixtrans-62.1-44173.7-166.785.7000111E297 F298 Q303 Q304 L305E297-L301 WeakPolarHBondContact O-CB 3.37Å; E297-L301 PolarHBondContact O-N 3.31Å; F298-L301 PolarHBondContact O-N 3.16Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.43Å; L301-Q304 PolarHBondContact O-N 3.06Å; L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 PolarHBondContact O-N 2.93Å
302G77Confident70.8Confident37 Ų37100.2 Ų100.238%0.38154%0.536SS..Hα-helixtrans-60.1-40.8175.900000112.7F298 L299 A306F298-G302 PolarHBondContact O-N 2.98Å; L299-G302 PolarHBondContact O-N 3.46Å; G302-A306 WeakPolarHBondContact O-CB 3.47Å; G302-A306 PolarHBondContact O-N 3.46Å
303Q79.6Confident72.4Confident114 Ų114101.7 Ų101.753%0.53353%0.532SS..Hα-helixtrans-66.4-42.2174.7-75.3-180-4.800112.6L299 R300 L301 A306 Q307L299-Q303 WeakPolarHBondContact O-CG 3.44Å; L299-Q303 PolarHBondContact O-N 2.93Å; R300-Q303 PolarHBondContact O-N 3.41Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.43Å; Q303-A306 PolarHBondContact O-N 3.19Å; Q303-Q307 WeakPolarHBondContact O-CG 3.23Å; Q303-Q307 PolarHBondContact O-N 3.47Å
304Q78.1Confident73.8Confident74 Ų7498 Ų9835%0.34652%0.522SS..Hα-helixtrans-64.1-43.9176.1-77.8-176.2-57.400111.8R300 L301 A306 Q307 Q308R300-Q304 PolarHBondContact O-N 3.01Å; L301-Q304 PolarHBondContact O-N 3.06Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; Q304-A306 PolarHBondContact O-N 3.41Å; Q304-Q307 PolarHBondContact O-N 3.21Å; Q304-Q308 WeakPolarHBondContact O-CB 3.44Å; Q304-Q308 PolarHBondContact O-N 2.88Å
305L80.8Confident75Confident100 Ų100102.6 Ų102.652%0.52454%0.535SS..Hα-helixtrans-61.1-43.1176.8-179.663.2000111.1L301 Q307 Q308 L309L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 PolarHBondContact O-N 2.93Å; L305-Q307 PolarHBondContact O-N 3.43Å; L305-Q308 PolarHBondContact O-N 2.87Å; L305-L309 HydrophobicContact CD1-CD1 4.26Å; L305-L309 HydrophobicContact CG-CD1 4.05Å; L305-L309 VanDerWaalsContact O-CB 3.31Å; L305-L309 WeakPolarHBondContact O-CB 3.26Å; L305-L309 PolarHBondContact O-N 3.21Å
306A72.9Confident76Confident54 Ų54100.1 Ų100.145%0.44653%0.525SS..Hα-helixtrans-61.6-41.817600000112.1G302 Q303 Q304 Q310G302-A306 WeakPolarHBondContact O-CB 3.47Å; G302-A306 PolarHBondContact O-N 3.46Å; Q303-A306 PolarHBondContact O-N 3.19Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; Q304-A306 PolarHBondContact O-N 3.41Å; A306-Q310 WeakPolarHBondContact O-CB 3.48Å; A306-Q310 PolarHBondContact O-N 2.93Å
307Q80Confident76.4Confident130 Ų13096.2 Ų96.261%0.60751%0.505SS*.Hα-helixtrans-64.9-43176.2-72.9174.16.800111.9Q303 Q304 L305 Q310 A311Q303-Q307 WeakPolarHBondContact O-CG 3.23Å; Q303-Q307 PolarHBondContact O-N 3.47Å; Q304-Q307 PolarHBondContact O-N 3.21Å; L305-Q307 PolarHBondContact O-N 3.43Å; Q307-Q310 PolarHBondContact O-N 2.86Å; Q307-A311 PolarHBondContact O-N 3.33Å
308Q78.2Confident77Confident110 Ų11093.7 Ų93.751%0.51450%0.496SS..Hα-helixtrans-67.3-41.8178.2-170.8174.14.300111.8Q304 L305 Q310 A311 S312Q304-Q308 WeakPolarHBondContact O-CB 3.44Å; Q304-Q308 PolarHBondContact O-N 2.88Å; L305-Q308 PolarHBondContact O-N 2.87Å; Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.46Å; Q308-A311 PolarHBondContact O-N 3.26Å; Q308-S312 WeakPolarHBondContact O-CB 3.37Å; Q308-S312 PolarHBondContact O-N 3.2Å; Q308-S312 PolarHBondContact O-OG 3.15Å
309L75.7Confident77.4Confident45 Ų4592.6 Ų92.624%0.23649%0.492CS..Hα-helixtrans-61-40.1173.3-94.9161.5000111.8L305 N313 L316 V317L305-L309 HydrophobicContact CD1-CD1 4.26Å; L305-L309 HydrophobicContact CG-CD1 4.05Å; L305-L309 VanDerWaalsContact O-CB 3.31Å; L305-L309 WeakPolarHBondContact O-CB 3.26Å; L305-L309 PolarHBondContact O-N 3.21Å; L309-N313 CarbonylContact O-C 3.49Å; L309-N313 VanDerWaalsContact O-C 3.28Å; L309-N313 WeakPolarHBondContact O-CA 3.46Å; L309-N313 PolarHBondContact O-N 3.22Å; L309-L316 HydrophobicContact CD2-CD2 3.5Å; L309-L316 VanDerWaalsContact CD2-CD2 3.5Å; L309-L316 HydrophobicContact CD2-CG 4.3Å; L309-V317 HydrophobicContact CB-CG2 3.87Å
310Q77.3Confident77.4Confident128 Ų12890.6 Ų90.660%0.59848%0.482SS*.Hα-helixtrans-67.9-37.9178.1-171.2175.1-3.100112.3A306 Q307 Q308 V317A306-Q310 WeakPolarHBondContact O-CB 3.48Å; A306-Q310 PolarHBondContact O-N 2.93Å; Q307-Q310 PolarHBondContact O-N 2.86Å; Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.46Å; Q310-V317 HydrophobicContact CB-CG2 4.27Å
311A78.7Confident77.4Confident91 Ų9190.3 Ų90.375%0.75248%0.481SS*.Hα-helixtrans-72.2-37.217700000112.9Q307 Q308Q307-A311 PolarHBondContact O-N 3.33Å; Q308-A311 PolarHBondContact O-N 3.26Å
312S78.7Confident77.4Confident65 Ų6592.2 Ų92.246%0.45549%0.488SS..Hα-helixtrans-89.8-33.6-174.855.60000114.1Q308Q308-S312 WeakPolarHBondContact O-CB 3.37Å; Q308-S312 PolarHBondContact O-N 3.2Å; Q308-S312 PolarHBondContact O-OG 3.15Å
313N79.3Confident77.2Confident82 Ų8292.9 Ų92.944%0.43948%0.484SS..  trans-149.377.7-177.2-95.2-48.2000111.7L309 Q315 L316 V317L309-N313 CarbonylContact O-C 3.49Å; L309-N313 VanDerWaalsContact O-C 3.28Å; L309-N313 WeakPolarHBondContact O-CA 3.46Å; L309-N313 PolarHBondContact O-N 3.22Å; N313-Q315 PolarHBondContact O-N 2.98Å; N313-Q315 VanDerWaalsContact O-N 3.14Å; N313-L316 HydrophobicContact CB-CB 3.72Å; N313-L316 HydrophobicContact CB-CD2 4.41Å; N313-L316 PolarHBondContact O-N 3.49Å; N313-V317 PolarHBondContact O-N 2.85Å
314P78.9Confident76.6Confident75 Ų7594 Ų9449%0.48749%0.488SS..Hα-helixtrans-59.3-29.5177.923.1-33.4000112.6N318P314-N318 PolarHBondContact O-N 2.95Å; P314-N318 VanDerWaalsContact O-N 3.08Å; P314-N318 PolarHBondContact O-ND2 2.9Å
315Q78.5Confident75.7Confident161 Ų16196.4 Ų96.475%0.75250%0.499SS*.Hα-helixtrans-68.4-40176.1-64.3-1294.100112.8N313 V317 N318 H319N313-Q315 PolarHBondContact O-N 2.98Å; N313-Q315 VanDerWaalsContact O-N 3.14Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; Q315-N318 PolarHBondContact O-N 2.68Å; Q315-H319 WeakPolarHBondContact O-CB 3.25Å; Q315-H319 PolarHBondContact O-N 2.78Å
316L77.1Confident74.4Confident76 Ų7695.9 Ų95.940%0.39850%0.5SS..Hα-helixtrans-65.9-39.6176.7-176.563.4000110.9L309 N313 H319 L320L309-L316 HydrophobicContact CD2-CD2 3.5Å; L309-L316 VanDerWaalsContact CD2-CD2 3.5Å; L309-L316 HydrophobicContact CD2-CG 4.3Å; N313-L316 HydrophobicContact CB-CB 3.72Å; N313-L316 HydrophobicContact CB-CD2 4.41Å; N313-L316 PolarHBondContact O-N 3.49Å; L316-H319 PolarHBondContact O-N 3.24Å; L316-L320 HydrophobicContact CD1-CD1 4.45Å; L316-L320 HydrophobicContact CG-CD1 3.98Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.36Å
317V76.9Confident73.2Confident36 Ų3699.8 Ų99.822%0.21851%0.513CS..Hα-helixtrans-62.9-43.2175.2175.50000111.3L309 Q310 N313 Q315 H319 L320 R321L309-V317 HydrophobicContact CB-CG2 3.87Å; Q310-V317 HydrophobicContact CB-CG2 4.27Å; N313-V317 PolarHBondContact O-N 2.85Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; V317-H319 VanDerWaalsContact C-N 3.34Å; V317-L320 PolarHBondContact O-N 2.89Å; V317-R321 WeakPolarHBondContact O-CB 3.42Å; V317-R321 PolarHBondContact O-N 3.42Å
318N75.9Confident71.8Confident92 Ų9299.5 Ų99.549%0.49252%0.52SS..Hα-helixtrans-64.5-39.5175.7-73.9-28.6000112P314 Q315 R321 Q322P314-N318 PolarHBondContact O-N 2.95Å; P314-N318 VanDerWaalsContact O-N 3.08Å; P314-N318 PolarHBondContact O-ND2 2.9Å; Q315-N318 PolarHBondContact O-N 2.68Å; N318-R321 PolarHBondContact O-N 3.17Å; N318-Q322 WeakPolarHBondContact O-CB 3.48Å; N318-Q322 VanDerWaalsContact O-CG 3.26Å; N318-Q322 WeakPolarHBondContact O-CG 3.41Å; N318-Q322 PolarHBondContact O-N 2.84Å
319H77.1Confident70.1Confident113 Ų11399.1 Ų99.152%0.52353%0.53SS..Hα-helixtrans-65.2-48.4175.8-16766.1000111.6Q315 L316 V317 R321 Q322 T323Q315-H319 WeakPolarHBondContact O-CB 3.25Å; Q315-H319 PolarHBondContact O-N 2.78Å; L316-H319 PolarHBondContact O-N 3.24Å; V317-H319 VanDerWaalsContact C-N 3.34Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 2.97Å; H319-Q322 CarbonylContact O-C 3.49Å; H319-Q322 WeakPolarHBondContact O-CA 3.25Å; H319-Q322 WeakPolarHBondContact O-CB 3.39Å; H319-Q322 PolarHBondContact O-N 3.37Å; H319-Q322 VanDerWaalsContact O-N 3.09Å; H319-T323 PolarHBondContact O-N 3.37Å; H319-T323 PolarHBondContact O-OG1 2.98Å
320L74.7Confident68.2Low64 Ų6499.7 Ų99.734%0.33555%0.546SS..Hα-helixtrans-55.4-47.9174.6-81.7160.6000111.1L316 V317 Q322 T323 F324L316-L320 HydrophobicContact CD1-CD1 4.45Å; L316-L320 HydrophobicContact CG-CD1 3.98Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.36Å; V317-L320 PolarHBondContact O-N 2.89Å; L320-Q322 VanDerWaalsContact C-N 3.3Å; L320-Q322 PolarHBondContact O-N 3Å; L320-T323 WeakPolarHBondContact CA-OG1 3.45Å; L320-T323 PolarHBondContact O-N 2.86Å; L320-T323 PolarHBondContact O-OG1 3.43Å; L320-F324 HydrophobicContact CD2-CD2 4.44Å; L320-F324 HydrophobicContact CD2-CE2 3.86Å; L320-F324 WeakPolarHBondContact O-CD2 3.42Å; L320-F324 PolarHBondContact O-N 3.31Å
321R74.9Confident66.3Low166 Ų166102.6 Ų102.663%0.62656%0.56SS**Hα-helixtrans-59.7-41.1177.5-169.6-178.3-108.6-144.8-1.2111.3V317 N318 H319 H325V317-R321 WeakPolarHBondContact O-CB 3.42Å; V317-R321 PolarHBondContact O-N 3.42Å; N318-R321 PolarHBondContact O-N 3.17Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 2.97Å; R321-H325 WeakPolarHBondContact O-CB 3.41Å; R321-H325 PolarHBondContact O-CD2 2.57Å; R321-H325 PolarHBondContact O-N 2.79Å
322Q74.9Confident64.1Low124 Ų124106 Ų10658%0.57957%0.565SS**Hα-helixtrans-64.6-47.8174.1-73.8170.86.100111.5N318 H319 L320 F324 H325 T326N318-Q322 WeakPolarHBondContact O-CB 3.48Å; N318-Q322 VanDerWaalsContact O-CG 3.26Å; N318-Q322 WeakPolarHBondContact O-CG 3.41Å; N318-Q322 PolarHBondContact O-N 2.84Å; H319-Q322 CarbonylContact O-C 3.49Å; H319-Q322 WeakPolarHBondContact O-CA 3.25Å; H319-Q322 WeakPolarHBondContact O-CB 3.39Å; H319-Q322 PolarHBondContact O-N 3.37Å; H319-Q322 VanDerWaalsContact O-N 3.09Å; L320-Q322 VanDerWaalsContact C-N 3.3Å; L320-Q322 PolarHBondContact O-N 3Å; Q322-F324 PolarHBondContact O-N 2.8Å; Q322-H325 PolarHBondContact O-N 2.96Å; Q322-T326 WeakPolarHBondContact O-CG2 3.32Å; Q322-T326 PolarHBondContact O-N 3.43Å; Q322-T326 PolarHBondContact O-OG1 2.9Å; Q322-T326 VanDerWaalsContact O-OG1 3.09Å
323T72.5Confident62.2Low51 Ų51107.9 Ų107.931%0.31358%0.579SS.*Hα-helixtrans-63.1-38.2178.732.70000113.8H319 L320 T326 N327H319-T323 PolarHBondContact O-N 3.37Å; H319-T323 PolarHBondContact O-OG1 2.98Å; L320-T323 WeakPolarHBondContact CA-OG1 3.45Å; L320-T323 PolarHBondContact O-N 2.86Å; L320-T323 PolarHBondContact O-OG1 3.43Å; T323-T326 WeakPolarHBondContact CA-OG1 3.31Å; T323-T326 PolarHBondContact O-OG1 3.07Å; T323-N327 WeakPolarHBondContact O-CB 3.18Å; T323-N327 PolarHBondContact O-N 3.45Å; T323-N327 VanDerWaalsContact O-N 3.08Å
324F67.1Low60.1Low138 Ų138111.1 Ų111.161%0.60560%0.596SS**Hα-helixtrans-74.5-33177-79.8-69.4000112.2L320 Q322 V328L320-F324 HydrophobicContact CD2-CD2 4.44Å; L320-F324 HydrophobicContact CD2-CE2 3.86Å; L320-F324 WeakPolarHBondContact O-CD2 3.42Å; L320-F324 PolarHBondContact O-N 3.31Å; Q322-F324 PolarHBondContact O-N 2.8Å; F324-V328 VanDerWaalsContact O-CG2 3.3Å; F324-V328 WeakPolarHBondContact O-CG2 3.4Å; F324-V328 PolarHBondContact O-N 2.89Å
325H59Low58Low123 Ų123112.6 Ų112.657%0.56961%0.606SS**Hα-helixtrans-71.7-32172.1-76.2-53.4000112.8R321 Q322 S329R321-H325 WeakPolarHBondContact O-CB 3.41Å; R321-H325 PolarHBondContact O-CD2 2.57Å; R321-H325 PolarHBondContact O-N 2.79Å; Q322-H325 PolarHBondContact O-N 2.96Å; H325-S329 PolarHBondContact O-OG 2.96Å
326T53.8Low56.2Low89 Ų89113.6 Ų113.655%0.54661%0.61SS.*Hα-helixtrans-75.3-29.3175.953.50000112.8Q322 T323Q322-T326 WeakPolarHBondContact O-CG2 3.32Å; Q322-T326 PolarHBondContact O-N 3.43Å; Q322-T326 PolarHBondContact O-OG1 2.9Å; Q322-T326 VanDerWaalsContact O-OG1 3.09Å; T323-T326 WeakPolarHBondContact CA-OG1 3.31Å; T323-T326 PolarHBondContact O-OG1 3.07Å
327N49.2Very low54.3Low136 Ų136116.9 Ų116.973%0.72763%0.628SS**Hα-helixtrans-90.4-9.7-177.7-75.3-8.9000115T323T323-N327 WeakPolarHBondContact O-CB 3.18Å; T323-N327 PolarHBondContact O-N 3.45Å; T323-N327 VanDerWaalsContact O-N 3.08Å
328V48.8Very low52.4Low124 Ų124122.5 Ų122.575%0.75266%0.657SS**Hα-helixtrans-99-10.4175.5177.20000112.4F324F324-V328 VanDerWaalsContact O-CG2 3.3Å; F324-V328 WeakPolarHBondContact O-CG2 3.4Å; F324-V328 PolarHBondContact O-N 2.89Å
329S44Very low50.6Low103 Ų103123.5 Ų123.572%0.7267%0.667SS**SBendtrans-116.611.3-177.2-46.90000114.3H325H325-S329 PolarHBondContact O-OG 2.96Å
330G36.1Very low48.8Very low57 Ų57125.3 Ų125.359%0.58868%0.68SS**  trans-114.129.3-162.400000116.8
331Q36.2Very low47.2Very low189 Ų189126.7 Ų126.788%0.88370%0.695SS**SBendtrans-152.678.2168-74.6-168.8-12.600111.5
332N33.7Very low45.6Very low161 Ų161125.7 Ų125.786%0.86170%0.702SS**  trans-174.8146.8134.9-124.3-26.7000113.2
333S37.1Very low44.1Very low105 Ų105127.2 Ų127.273%0.73471%0.709SS**  trans72.991160.6510000120
334N35.3Very low43.1Very low151 Ų151132.2 Ų132.281%0.80773%0.729SS**  65.8127118.2-115.520.8000121
335P35.8Very low42Very low106 Ų106133.5 Ų133.569%0.68874%0.742SS**  trans-83.2126.3160.334.3-25.4000108.5
336E39.7Very low41.5Very low182 Ų182134 Ų13485%0.8575%0.749SS**  trans168.4119.8145.4-95.5168.9-170.600111.4
337N36.9Very low41.2Very low144 Ų144136.1 Ų136.177%0.7776%0.762SS**  6695.8128.9-14316.1000118.5
338N37.1Very low41Very low154 Ų154136.6 Ų136.682%0.82476%0.764SS**  -164.2114.8124.6-130.1-19.6000113.5
339T38.1Very low41.3Very low114 Ų114136.2 Ų136.270%0.69977%0.768SS**  trans-62126.4157.740.80000111.4
340N39.1Very low41.7Very low150 Ų150144.6 Ų144.680%0.80279%0.791SS**  trans-172114.1137.3-115.9-19.9000112.7
341S41.1Very low42Very low94 Ų94149 Ų14966%0.65780%0.801SS**  44.2107.1118.8-40.70000119.3
342N41.4Very low42.3Very low144 Ų144146.8 Ų146.877%0.7780%0.797SS**  -176.8100128-96.9-4.4000107.9
343E44.3Very low42.7Very low156 Ų156146.1 Ų146.173%0.72979%0.793SS**  74.9113.589.1-81.8-166.5155.900114.3
344H50.5Low43.1Very low157 Ų157148.5 Ų148.573%0.72780%0.797SS**  trans67.9103.8135.4-71.848000117.7
345N45.1Very low43.6Very low165 Ų165148.3 Ų148.388%0.88280%0.796SS**  -161108.9107-94.6-31.1000112.5
346N47.8Very low44.1Very low133 Ų133151.1 Ų151.171%0.71180%0.803SS**  trans-70.6142161.7-174.711.5000108.9
347T48.4Very low44.4Very low134 Ų134148.9 Ų148.982%0.82280%0.8SS**  176.2115.6120.133.10000111.2
348N45.6Very low45Very low145 Ų145149.3 Ų149.378%0.77580%0.802SS**  trans-78136.3162.7-166.114.6000109.2
349S53.7Low45.6Very low117 Ų117148.9 Ų148.982%0.81880%0.8SS**  trans-176.992.6156.4-87.40000112
350K52.3Low46.3Very low278 Ų278152.1 Ų152.1100%1.20981%0.809SS**  -174.60112.6-107.4-177.2179-1800111.5

Retrieved 350 of 350 residues in 499.4 ms (Link to these results)

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