G4VQ01_SCHMA Loading...

Cyclin N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession G4VQ01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 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
1M41.9Very low65.7Low201 Ų201103.5 Ų103.599%0.9952%0.521SS*.  0102.50-102.9-171.6-93.600105.1V166M1-V166 HydrophobicContact SD-CG1 4.49Å
2D43.7Very low66.8Low163 Ų16396.8 Ų96.887%0.87249%0.485SS*.  trans-58.9140.2176-60.9-39.2000108.6L4D2-L4 PolarHBondContact O-N 2.68Å
3D54.7Low67.4Low114 Ų11490.5 Ų90.561%0.6145%0.454SS*.  trans-57.1111.4-179.5-79.2-28000108.8T5D3-T5 PolarHBondContact O-N 2.76Å
4L62.7Low67.8Low44 Ų4495.3 Ų95.323%0.2347%0.47CS..  trans-56.4111.7-179.2-155125.7000108.2D2 E8 F163 V166 V167D2-L4 PolarHBondContact O-N 2.68Å; L4-E8 VanDerWaalsContact CA-OE2 3.24Å; L4-E8 WeakPolarHBondContact CA-OE2 3.43Å; L4-E8 HydrophobicContact CD2-CB 3.83Å; L4-E8 HydrophobicContact CG-CB 3.96Å; L4-F163 HydrophobicContact CD1-CE2 4.39Å; L4-F163 HydrophobicContact CD2-CE2 3.69Å; L4-F163 HydrophobicContact CD2-CZ 3.82Å; L4-V166 HydrophobicContact CD1-CG1 3.96Å; L4-V167 HydrophobicContact CD2-CG2 3.83Å
5T68Low68Low68 Ų6897.3 Ų97.342%0.41748%0.476SS..  trans-71.2153.1-169.958.10000109.7D3 E7 E8 L9D3-T5 PolarHBondContact O-N 2.76Å; T5-E7 PolarHBondContact O-N 3.22Å; T5-E8 PolarHBondContact N-OE2 2.91Å; T5-E8 PolarHBondContact O-N 3.27Å; T5-E8 WeakPolarHBondContact OG1-CG 3.45Å; T5-E8 PolarHBondContact OG1-N 2.96Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; T5-L9 PolarHBondContact O-N 3.23Å
6N69.8Low67.9Low120 Ų12092.1 Ų92.164%0.64245%0.452SS*.Hα-helixtrans-52.3-28.9169.2-83.3-16.5000111.4L9 Q10N6-L9 PolarHBondContact O-N 3.1Å; N6-Q10 VanDerWaalsContact O-CG 3.28Å; N6-Q10 WeakPolarHBondContact O-CG 3.28Å; N6-Q10 PolarHBondContact O-N 3.39Å
7E75.2Confident67.7Low118 Ų11890.7 Ų90.755%0.55145%0.447SS*.Hα-helixtrans-65.1-42.1175.4-163.2-171.5152.200112.7T5 L9 Q10 K11T5-E7 PolarHBondContact O-N 3.22Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-Q10 PolarHBondContact O-N 3.22Å; E7-K11 WeakPolarHBondContact O-CB 3.48Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3.16Å; E7-K11 WeakPolarHBondContact OE1-CE 3.38Å; E7-K11 IonicContact OE1-NZ 3.97Å; E7-K11 PolarHBondContact OE1-NZ 3.08Å
8E75.5Confident67.3Low87 Ų8792.4 Ų92.441%0.40745%0.454SS..Hα-helixtrans-66.4-37.9176.2-73.5168.4130.600111.9L4 T5 K11 W12L4-E8 VanDerWaalsContact CA-OE2 3.24Å; L4-E8 WeakPolarHBondContact CA-OE2 3.43Å; L4-E8 HydrophobicContact CD2-CB 3.83Å; L4-E8 HydrophobicContact CG-CB 3.96Å; T5-E8 PolarHBondContact N-OE2 2.91Å; T5-E8 PolarHBondContact O-N 3.27Å; T5-E8 WeakPolarHBondContact OG1-CG 3.45Å; T5-E8 PolarHBondContact OG1-N 2.96Å; T5-E8 PolarHBondContact OG1-OE2 3.16Å; E8-K11 PolarHBondContact O-N 2.83Å; E8-W12 WeakPolarHBondContact O-CB 3.45Å; E8-W12 PolarHBondContact O-N 3.21Å
9L73.5Confident66.6Low10 Ų1093.4 Ų93.45%0.05247%0.468CS..Hα-helixtrans-61-49.2170.6174.864.7000111.3T5 N6 E7 K11 W12 L13 F163 L243T5-L9 PolarHBondContact O-N 3.23Å; N6-L9 PolarHBondContact O-N 3.1Å; E7-L9 VanDerWaalsContact C-N 3.35Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.94Å; L9-W12 PolarHBondContact O-N 3.25Å; L9-L13 HydrophobicContact CD1-CD1 4.12Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 VanDerWaalsContact O-CG 3.25Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-F163 HydrophobicContact CB-CZ 4.4Å; L9-F163 HydrophobicContact CD1-CE1 3.51Å; L9-F163 HydrophobicContact CD1-CZ 3.71Å; L9-L243 HydrophobicContact CD1-CD2 3.84Å; L9-L243 HydrophobicContact CD2-CD2 3.44Å; L9-L243 VanDerWaalsContact CD2-CD2 3.44Å; L9-L243 HydrophobicContact CG-CD2 4.31Å
10Q77.3Confident66Low114 Ų11490.4 Ų90.453%0.53345%0.453SS..Hα-helixtrans-63.6-37.1178.6-68.9-55.8-36.600112.2N6 E7 L13 K14N6-Q10 VanDerWaalsContact O-CG 3.28Å; N6-Q10 WeakPolarHBondContact O-CG 3.28Å; N6-Q10 PolarHBondContact O-N 3.39Å; E7-Q10 PolarHBondContact O-N 3.22Å; Q10-L13 PolarHBondContact O-N 3.41Å; Q10-K14 VanDerWaalsContact O-CB 3.26Å; Q10-K14 WeakPolarHBondContact O-CB 3.35Å; Q10-K14 PolarHBondContact O-N 3.25Å
11K80.2Confident65.2Low99 Ų9990.9 Ų90.943%0.4346%0.463SS..Hα-helixtrans-60.8-51.3171.6-77171.6-176.6165.20110.5E7 E8 L9 L13 K14 F15E7-K11 WeakPolarHBondContact O-CB 3.48Å; E7-K11 VanDerWaalsContact O-CG 3.3Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3.16Å; E7-K11 WeakPolarHBondContact OE1-CE 3.38Å; E7-K11 IonicContact OE1-NZ 3.97Å; E7-K11 PolarHBondContact OE1-NZ 3.08Å; E8-K11 PolarHBondContact O-N 2.83Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.94Å; K11-L13 VanDerWaalsContact C-N 3.31Å; K11-L13 PolarHBondContact O-N 2.89Å; K11-K14 PolarHBondContact O-N 3.43Å; K11-K14 VanDerWaalsContact O-N 3.16Å; K11-F15 HydrophobicContact CB-CD2 4.41Å; K11-F15 HydrophobicContact CB-CE2 4.33Å; K11-F15 WeakPolarHBondContact O-CD2 3.36Å; K11-F15 PolarHBondContact O-N 3.29Å
12W78.5Confident65.7Low24 Ų2486.6 Ų86.69%0.09144%0.439CS..Hα-helixtrans-57.1-45.8178.5-172.696.3000111.1E8 L9 K14 F15 S16 C160 F163 T209 I213E8-W12 WeakPolarHBondContact O-CB 3.45Å; E8-W12 PolarHBondContact O-N 3.21Å; L9-W12 PolarHBondContact O-N 3.25Å; W12-K14 PolarHBondContact O-N 2.86Å; W12-F15 PolarHBondContact O-N 3.02Å; W12-S16 WeakPolarHBondContact CZ2-OG 3.36Å; W12-S16 VanDerWaalsContact O-CB 3.27Å; W12-S16 WeakPolarHBondContact O-CB 3.39Å; W12-S16 PolarHBondContact O-N 3.14Å; W12-S16 PolarHBondContact O-OG 3.03Å; W12-C160 HydrophobicContact CH2-CB 4.34Å; W12-C160 HydrophobicContact CZ2-CB 4.31Å; W12-F163 HydrophobicContact CB-CE1 4.38Å; W12-F163 HydrophobicContact CB-CE2 3.93Å; W12-F163 HydrophobicContact CB-CZ 3.84Å; W12-F163 AromaticContact CD1-CD2 3.66Å; W12-F163 AromaticContact CD1-CE2 3.88Å; W12-F163 AromaticContact CD1-CG 3.95Å; W12-F163 AromaticContact CD2-CD1 3.89Å; W12-F163 HydrophobicContact CD2-CD1 3.89Å; W12-F163 HydrophobicContact CD2-CD2 4.45Å; W12-F163 AromaticContact CD2-CE1 3.95Å; W12-F163 HydrophobicContact CD2-CE1 3.95Å; W12-F163 HydrophobicContact CD2-CE2 4.5Å; W12-F163 HydrophobicContact CD2-CG 4.16Å; W12-F163 HydrophobicContact CD2-CZ 4.27Å; W12-F163 AromaticContact CE2-CD1 3.96Å; W12-F163 AromaticContact CE2-CG 3.94Å; W12-F163 HydrophobicContact CE3-CD1 4.2Å; W12-F163 HydrophobicContact CE3-CE1 4.08Å; W12-F163 HydrophobicContact CG-CD1 4.23Å; W12-F163 HydrophobicContact CG-CD2 4.01Å; W12-F163 HydrophobicContact CG-CE1 4.08Å; W12-F163 AromaticContact CG-CE2 3.84Å; W12-F163 HydrophobicContact CG-CE2 3.84Å; W12-F163 HydrophobicContact CG-CG 4.2Å; W12-F163 AromaticContact CG-CZ 3.9Å; W12-F163 HydrophobicContact CG-CZ 3.9Å; W12-F163 HydrophobicContact CZ2-CD1 4.36Å; W12-F163 AromaticContact NE1-CD2 3.92Å; W12-F163 AromaticContact NE1-CG 3.78Å; W12-T209 HydrophobicContact CH2-CG2 4.5Å; W12-T209 HydrophobicContact CZ3-CG2 4.13Å; W12-I213 HydrophobicContact CH2-CG1 4.36Å; W12-I213 HydrophobicContact CZ3-CD1 4.07Å; W12-I213 HydrophobicContact CZ3-CG1 4.16Å
13L74.6Confident66Low14 Ų1484.3 Ų84.37%0.07344%0.435CS..Hα-helixtrans-63.8-40.6177.1-66.8170.5000113L9 Q10 K11 S16 N17 I213 I245L9-L13 HydrophobicContact CD1-CD1 4.12Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 VanDerWaalsContact O-CG 3.25Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.39Å; Q10-L13 PolarHBondContact O-N 3.41Å; K11-L13 VanDerWaalsContact C-N 3.31Å; K11-L13 PolarHBondContact O-N 2.89Å; L13-S16 PolarHBondContact O-N 2.79Å; L13-N17 VanDerWaalsContact O-CB 3.25Å; L13-N17 WeakPolarHBondContact O-CB 3.34Å; L13-N17 PolarHBondContact O-N 3.33Å; L13-N17 PolarHBondContact O-ND2 3.49Å; L13-N17 VanDerWaalsContact O-ND2 3.09Å; L13-I213 HydrophobicContact CD2-CD1 3.7Å; L13-I245 HydrophobicContact CD1-CD1 3.53Å; L13-I245 HydrophobicContact CD1-CG1 4.11Å; L13-I245 HydrophobicContact CD2-CD1 3.37Å; L13-I245 HydrophobicContact CD2-CG1 4.37Å; L13-I245 HydrophobicContact CG-CD1 4.04Å
14K74.2Confident65.8Low158 Ų15880 Ų8069%0.68741%0.413SS*.Hα-helixtrans-63.8-42.3177.2-175.5178179-179.80111.1Q10 K11 W12 Q18Q10-K14 VanDerWaalsContact O-CB 3.26Å; Q10-K14 WeakPolarHBondContact O-CB 3.35Å; Q10-K14 PolarHBondContact O-N 3.25Å; K11-K14 PolarHBondContact O-N 3.43Å; K11-K14 VanDerWaalsContact O-N 3.16Å; W12-K14 PolarHBondContact O-N 2.86Å; K14-Q18 WeakPolarHBondContact O-CG 3.3Å; K14-Q18 PolarHBondContact O-N 3.48Å
15F70Confident65.3Low125 Ų12586.4 Ų86.455%0.54844%0.438SS..Hα-helixtrans-69.3-42.7175.9-74.6-64.1000112K11 W12 N17 Q18K11-F15 HydrophobicContact CB-CD2 4.41Å; K11-F15 HydrophobicContact CB-CE2 4.33Å; K11-F15 WeakPolarHBondContact O-CD2 3.36Å; K11-F15 PolarHBondContact O-N 3.29Å; W12-F15 PolarHBondContact O-N 3.02Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.36Å; F15-Q18 WeakPolarHBondContact O-CB 3.43Å; F15-Q18 PolarHBondContact O-N 2.72Å
16S66.4Low64.5Low14 Ų1485.2 Ų85.210%0.09843%0.432CS..Hα-helixtrans-68.7-29.6179.7-64.20000112.9W12 L13 Q18 T209W12-S16 WeakPolarHBondContact CZ2-OG 3.36Å; W12-S16 VanDerWaalsContact O-CB 3.27Å; W12-S16 WeakPolarHBondContact O-CB 3.39Å; W12-S16 PolarHBondContact O-N 3.14Å; W12-S16 PolarHBondContact O-OG 3.03Å; L13-S16 PolarHBondContact O-N 2.79Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; S16-T209 PolarHBondContact O-OG1 3.28Å
17N63.9Low63.8Low69 Ų6980 Ų8037%0.36940%0.403SS..THydrogen-bonded Turntrans-87.34.5176-75-44.5000113.7L13 F15 P19 S207 T209L13-N17 VanDerWaalsContact O-CB 3.25Å; L13-N17 WeakPolarHBondContact O-CB 3.34Å; L13-N17 PolarHBondContact O-N 3.33Å; L13-N17 PolarHBondContact O-ND2 3.49Å; L13-N17 VanDerWaalsContact O-ND2 3.09Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.36Å; N17-P19 WeakPolarHBondContact O-CD 3.27Å; N17-P19 VanDerWaalsContact O-N 3.17Å; N17-S207 PolarHBondContact OD1-OG 2.98Å; N17-T209 VanDerWaalsContact OD1-CB 3.31Å; N17-T209 WeakPolarHBondContact OD1-CB 3.44Å; N17-T209 PolarHBondContact OD1-OG1 2.98Å
18Q62.2Low62.7Low121 Ų12176.6 Ų76.657%0.56539%0.392SS*.SBendtrans-60.7123.5172.1-71.2-171-16.100108.4K14 F15 S16 D20K14-Q18 WeakPolarHBondContact O-CG 3.3Å; K14-Q18 PolarHBondContact O-N 3.48Å; F15-Q18 WeakPolarHBondContact O-CB 3.43Å; F15-Q18 PolarHBondContact O-N 2.72Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-D20 PolarHBondContact O-N 3.03Å
19P52.6Low61.6Low112 Ų11278.2 Ų78.273%0.72740%0.403SS*.PPolyproline II helixtrans-58.6140.617724-31.3000108.7N17N17-P19 WeakPolarHBondContact O-CD 3.27Å; N17-P19 VanDerWaalsContact O-N 3.17Å
20D55.2Low60.8Low33 Ų3382.8 Ų82.818%0.17642%0.42CS..PPolyproline II helixtrans-47.3124.2172.7-165.3-28.2000108.2Q18 K22Q18-D20 PolarHBondContact O-N 3.03Å; D20-K22 WeakPolarHBondContact CB-O 3.37Å; D20-K22 CarbonylContact O-C 3.52Å; D20-K22 PolarHBondContact O-N 3.48Å
21P48.8Very low60.7Low100 Ų10077.9 Ų77.965%0.64940%0.397SS*.SBendtrans-53-21.4-173.2-25.830.9000113.4D150P21-D150 HydrophobicContact CB-CB 4.04Å; P21-D150 HydrophobicContact CG-CB 3.98Å
22K53.5Low60.7Low111 Ų11173.1 Ų73.148%0.48338%0.377SS..SBendtrans-110.6122.8164.3-68.3174.8-179.71480107.5D20 I24 D150D20-K22 WeakPolarHBondContact CB-O 3.37Å; D20-K22 CarbonylContact O-C 3.52Å; D20-K22 PolarHBondContact O-N 3.48Å; K22-I24 HydrophobicContact CB-CG1 4.37Å; K22-I24 PolarHBondContact O-N 3.27Å; K22-D150 WeakPolarHBondContact CD-OD2 3.2Å; K22-D150 WeakPolarHBondContact CE-OD2 3.2Å; K22-D150 IonicContact NZ-OD2 2.64Å; K22-D150 PolarHBondContact NZ-OD2 2.81Å
23S48.7Very low60.8Low115 Ų11573.7 Ų73.780%0.80438%0.381SS*.  trans-61.553.7-176.753.50000114.7K25S23-K25 PolarHBondContact O-N 2.94Å
24I51.8Low61.2Low25 Ų2573.7 Ų73.713%0.12838%0.38CS..  trans-81.174.7174.1-54.9-177.5000106.1K22 P26 Y27 L70K22-I24 HydrophobicContact CB-CG1 4.37Å; K22-I24 PolarHBondContact O-N 3.27Å; I24-P26 HydrophobicContact CG2-CB 3.66Å; I24-P26 VanDerWaalsContact CG2-CD 3.49Å; I24-P26 HydrophobicContact CG2-CG 3.65Å; I24-P26 WeakPolarHBondContact O-CD 3.36Å; I24-Y27 PolarHBondContact O-N 2.97Å; I24-L70 HydrophobicContact CD1-CD2 3.17Å; I24-L70 HydrophobicContact CG2-CD2 4.44Å
25K51.1Low61.8Low177 Ų17766.5 Ų66.577%0.7735%0.349SS*.THydrogen-bonded Turntrans-41.8-27.2160.7-75.5-174.7178.1177.60113.4S23 Y27S23-K25 PolarHBondContact O-N 2.94Å; K25-Y27 PolarHBondContact O-N 2.87Å
26P52.5Low62.6Low43 Ų4362.1 Ų62.128%0.27933%0.334SS..THydrogen-bonded Turntrans-54.4-43.4170.9-30.332.7000115.1I24 S28 L29 Y30I24-P26 HydrophobicContact CG2-CB 3.66Å; I24-P26 VanDerWaalsContact CG2-CD 3.49Å; I24-P26 HydrophobicContact CG2-CG 3.65Å; I24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-S28 PolarHBondContact O-N 3.32Å; P26-S28 VanDerWaalsContact O-N 3.16Å; P26-L29 CarbonylContact O-C 3.54Å; P26-L29 WeakPolarHBondContact O-CA 3.31Å; P26-L29 WeakPolarHBondContact O-CB 3.16Å; P26-L29 PolarHBondContact O-N 2.96Å; P26-Y30 VanDerWaalsContact CA-CD2 3.5Å; P26-Y30 HydrophobicContact CB-CD2 3.44Å; P26-Y30 VanDerWaalsContact CB-CD2 3.44Å; P26-Y30 HydrophobicContact CB-CE2 3.69Å; P26-Y30 HydrophobicContact CG-CE2 4.42Å; P26-Y30 WeakPolarHBondContact O-CD2 3.42Å; P26-Y30 PolarHBondContact O-N 2.88Å
27Y53.4Low63.7Low10 Ų1066 Ų664%0.03935%0.351CS..Hα-helixtrans-65.2-36.9-158.7-170.4-109.2000114.4I24 K25 L29 Y30 R31 R66 L69 Y154I24-Y27 PolarHBondContact O-N 2.97Å; K25-Y27 PolarHBondContact O-N 2.87Å; Y27-L29 PolarHBondContact O-N 3.33Å; Y27-Y30 PolarHBondContact O-N 3.36Å; Y27-R31 HydrophobicContact CE1-CB 4.45Å; Y27-R31 HydrophobicContact CE2-CB 4.3Å; Y27-R31 PolarHBondContact O-N 3.4Å; Y27-R31 VanDerWaalsContact O-N 3.15Å; Y27-R66 HydrophobicContact CD2-CG 4.01Å; Y27-R66 HydrophobicContact CE1-CG 4.12Å; Y27-R66 HydrophobicContact CE2-CB 4.36Å; Y27-R66 HydrophobicContact CE2-CG 3.27Å; Y27-R66 WeakPolarHBondContact OH-CG 3.49Å; Y27-R66 PolarHBondContact OH-NE 3.48Å; Y27-R66 PolarHBondContact OH-NH2 3.28Å; Y27-L69 HydrophobicContact CD2-CD2 3.5Å; Y27-L69 HydrophobicContact CE2-CD2 4.28Å; Y27-L69 HydrophobicContact CG-CD2 4.43Å; Y27-Y154 HydrophobicContact CD1-CE1 4.38Å; Y27-Y154 HydrophobicContact CD1-CE2 4.25Å; Y27-Y154 AromaticContact CD1-CZ 3.9Å; Y27-Y154 AromaticContact CE1-CE1 3.86Å; Y27-Y154 HydrophobicContact CE1-CE1 3.86Å; Y27-Y154 AromaticContact CE1-CZ 3.84Å
28S52.8Low65Low47 Ų4768.5 Ų68.533%0.32936%0.364SS..Hα-helixtrans-62.7-24.4175.358.40000113.3P26P26-S28 PolarHBondContact O-N 3.32Å; P26-S28 VanDerWaalsContact O-N 3.16Å
29L53Low66.3Low122 Ų12263.7 Ų63.764%0.63934%0.342SS*.Hα-helixtrans-94.7-26.5-179.8-69.9165.4000113.4P26 Y27P26-L29 CarbonylContact O-C 3.54Å; P26-L29 WeakPolarHBondContact O-CA 3.31Å; P26-L29 WeakPolarHBondContact O-CB 3.16Å; P26-L29 PolarHBondContact O-N 2.96Å; Y27-L29 PolarHBondContact O-N 3.33Å
30Y56.7Low68.3Low105 Ų10558.3 Ų58.341%0.41231%0.307SS..Hα-helixtrans-114.512.8-172.8-59.7-78.8000114.9P26 Y27 G32 L33 F77P26-Y30 VanDerWaalsContact CA-CD2 3.5Å; P26-Y30 HydrophobicContact CB-CD2 3.44Å; P26-Y30 VanDerWaalsContact CB-CD2 3.44Å; P26-Y30 HydrophobicContact CB-CE2 3.69Å; P26-Y30 HydrophobicContact CG-CE2 4.42Å; P26-Y30 WeakPolarHBondContact O-CD2 3.42Å; P26-Y30 PolarHBondContact O-N 2.88Å; Y27-Y30 PolarHBondContact O-N 3.36Å; Y30-G32 PolarHBondContact O-N 2.94Å; Y30-L33 WeakPolarHBondContact O-CB 3.41Å; Y30-L33 PolarHBondContact O-N 2.83Å; Y30-F77 HydrophobicContact CD1-CE1 4.09Å; Y30-F77 HydrophobicContact CG-CE1 4.49Å
31R75Confident70.1Confident11 Ų1159.4 Ų59.44%0.04231%0.313CS..THydrogen-bonded Turntrans-56.4141.1172.1179.5172.1-174.2178.2-3.2110.8Y27 L33 E62 L157 Y191 L212Y27-R31 HydrophobicContact CE1-CB 4.45Å; Y27-R31 HydrophobicContact CE2-CB 4.3Å; Y27-R31 PolarHBondContact O-N 3.4Å; Y27-R31 VanDerWaalsContact O-N 3.15Å; R31-L33 PolarHBondContact O-N 2.66Å; R31-E62 IonicContact CZ-OE1 3.84Å; R31-E62 IonicContact CZ-OE2 3.05Å; R31-E62 IonicContact NE-OE2 2.63Å; R31-E62 IonicContact NH2-OE1 3.55Å; R31-E62 PolarHBondContact NH2-OE1 3.45Å; R31-E62 IonicContact NH2-OE2 2.67Å; R31-E62 PolarHBondContact NH2-OE2 3.18Å; R31-L157 VanDerWaalsContact NH2-CB 3.32Å; R31-L157 VanDerWaalsContact NH2-N 3.12Å; R31-Y191 HydrophobicContact CB-CE1 4.41Å; R31-Y191 HydrophobicContact CG-CE1 4.37Å; R31-Y191 HydrophobicContact CG-CE2 4.4Å; R31-Y191 WeakPolarHBondContact O-CD1 3.39Å; R31-Y191 WeakPolarHBondContact O-CE1 3.46Å; R31-L212 VanDerWaalsContact NH2-CD2 3.31Å
32G79.8Confident72.2Confident0 Ų057.9 Ų57.90%030%0.296CS..THydrogen-bonded Turntrans71.814.3172.400000114.7Y30 F34 Y35 D65 N192Y30-G32 PolarHBondContact O-N 2.94Å; G32-F34 PolarHBondContact O-N 3.15Å; G32-Y35 VanDerWaalsContact CA-CG 3.47Å; G32-Y35 WeakPolarHBondContact O-CB 3.34Å; G32-Y35 PolarHBondContact O-N 2.94Å; G32-Y35 VanDerWaalsContact O-N 3.08Å; G32-D65 WeakPolarHBondContact CA-OD1 3.45Å; G32-D65 PolarHBondContact N-OD1 2.78Å; G32-D65 PolarHBondContact N-OD2 3.41Å; G32-N192 PolarHBondContact O-ND2 3.41Å; G32-N192 PolarHBondContact O-OD1 3.41Å; G32-N192 VanDerWaalsContact O-OD1 3.14Å
33L80.2Confident74.2Confident35 Ų3552.6 Ų52.618%0.18327%0.274CS..THydrogen-bonded Turntrans-57.2-40.4176.1-176.176.1000111.6Y30 R31 Y35 D65 F77 I81 N192Y30-L33 WeakPolarHBondContact O-CB 3.41Å; Y30-L33 PolarHBondContact O-N 2.83Å; R31-L33 PolarHBondContact O-N 2.66Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; L33-D65 PolarHBondContact N-OD1 2.96Å; L33-F77 HydrophobicContact CD2-CD1 4.13Å; L33-F77 HydrophobicContact CD2-CE1 3.09Å; L33-F77 HydrophobicContact CD2-CZ 3.31Å; L33-F77 HydrophobicContact CG-CE1 4.43Å; L33-I81 HydrophobicContact CD1-CD1 3.73Å; L33-I81 HydrophobicContact CD1-CG1 3.95Å; L33-I81 HydrophobicContact CD1-CG2 4.47Å; L33-I81 HydrophobicContact CD2-CD1 4.04Å; L33-I81 HydrophobicContact CD2-CG1 3.9Å; L33-I81 HydrophobicContact CG-CD1 4.39Å; L33-I81 HydrophobicContact CG-CG1 4.22Å; L33-N192 PolarHBondContact O-ND2 3.23Å
34F83.9Confident76.4Confident14 Ų1448 Ų486%0.06124%0.239CC..THydrogen-bonded Turntrans-94.67.9-179.5-57.1-77000112.5G32 S36 I39 D65 L68 L69 F72 F77 F84G32-F34 PolarHBondContact O-N 3.15Å; F34-S36 PolarHBondContact O-N 3.11Å; F34-I39 WeakPolarHBondContact O-CD1 3.18Å; F34-D65 WeakPolarHBondContact CD2-OD1 3.22Å; F34-D65 PolarHBondContact N-OD1 2.87Å; F34-L68 HydrophobicContact CB-CD1 3.85Å; F34-L68 HydrophobicContact CD1-CB 4.37Å; F34-L68 HydrophobicContact CD1-CD1 3.78Å; F34-L68 HydrophobicContact CD2-CB 3.58Å; F34-L68 HydrophobicContact CD2-CD1 4.04Å; F34-L68 HydrophobicContact CD2-CG 4.45Å; F34-L68 HydrophobicContact CE1-CB 4.29Å; F34-L68 HydrophobicContact CE1-CD1 4.32Å; F34-L68 HydrophobicContact CE2-CB 3.48Å; F34-L68 VanDerWaalsContact CE2-CB 3.48Å; F34-L68 HydrophobicContact CG-CB 4.03Å; F34-L68 HydrophobicContact CG-CD1 3.61Å; F34-L68 HydrophobicContact CG-CG 4.48Å; F34-L68 HydrophobicContact CZ-CB 3.86Å; F34-L69 HydrophobicContact CE2-CB 4.38Å; F34-F72 HydrophobicContact CZ-CD2 4.34Å; F34-F77 HydrophobicContact CE2-CZ 4.37Å; F34-F77 HydrophobicContact CZ-CZ 4.3Å; F34-F84 AromaticContact CD1-CD2 3.88Å; F34-F84 HydrophobicContact CD1-CD2 3.88Å; F34-F84 AromaticContact CD1-CE2 3.77Å; F34-F84 HydrophobicContact CD1-CE2 3.77Å; F34-F84 HydrophobicContact CD1-CG 4.43Å; F34-F84 HydrophobicContact CD1-CZ 4.24Å; F34-F84 AromaticContact CE1-CD2 3.91Å; F34-F84 HydrophobicContact CE1-CD2 3.91Å; F34-F84 HydrophobicContact CE1-CE2 4.01Å
35Y87.1Confident78.4Confident7 Ų751.3 Ų51.33%0.02726%0.257CS..  trans-73.9123.1172-58.7-13.7000109.3G32 L33 I61 D65 Y188 Y191 N192G32-Y35 VanDerWaalsContact CA-CG 3.47Å; G32-Y35 WeakPolarHBondContact O-CB 3.34Å; G32-Y35 PolarHBondContact O-N 2.94Å; G32-Y35 VanDerWaalsContact O-N 3.08Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-I61 HydrophobicContact CD1-CG2 3.61Å; Y35-I61 HydrophobicContact CE1-CG2 3.47Å; Y35-I61 VanDerWaalsContact CE1-CG2 3.47Å; Y35-I61 WeakPolarHBondContact CE1-O 3.48Å; Y35-I61 HydrophobicContact CG-CG2 4.31Å; Y35-D65 HydrophobicContact CD1-CB 3.93Å; Y35-D65 HydrophobicContact CE1-CB 3.3Å; Y35-Y188 VanDerWaalsContact CB-O 3.29Å; Y35-Y188 WeakPolarHBondContact CB-O 3.4Å; Y35-Y188 AromaticContact CD2-CD1 3.87Å; Y35-Y188 HydrophobicContact CD2-CD1 3.87Å; Y35-Y188 HydrophobicContact CE1-CD1 4.49Å; Y35-Y188 AromaticContact CE2-CD1 3.54Å; Y35-Y188 HydrophobicContact CE2-CD1 3.54Å; Y35-Y188 AromaticContact CE2-CE1 3.99Å; Y35-Y188 HydrophobicContact CE2-CE1 3.99Å; Y35-Y188 AromaticContact CZ-CD1 3.92Å; Y35-Y191 HydrophobicContact CD2-CD1 4.34Å; Y35-Y191 HydrophobicContact CD2-CD2 4.18Å; Y35-Y191 AromaticContact CD2-CG 3.76Å; Y35-Y191 HydrophobicContact CD2-CG 3.76Å; Y35-Y191 HydrophobicContact CE2-CD2 4.06Å; Y35-Y191 HydrophobicContact CE2-CG 4.02Å; Y35-N192 PolarHBondContact O-ND2 3.32Å
36S85.9Confident80.4Confident34 Ų3443.2 Ų43.224%0.23822%0.223CC..  trans-137156.4168.169.20000108.6F34 N38 I39 C40F34-S36 PolarHBondContact O-N 3.11Å; S36-N38 PolarHBondContact O-N 2.99Å; S36-I39 PolarHBondContact O-N 3.33Å; S36-I39 VanDerWaalsContact O-N 3.14Å; S36-I39 WeakPolarHBondContact OG-CG1 3.34Å; S36-I39 PolarHBondContact OG-N 3.25Å; S36-C40 WeakPolarHBondContact O-CB 3.15Å; S36-C40 PolarHBondContact O-N 3.45Å; S36-C40 PolarHBondContact O-SG 3.19Å
37E90.1Very high82.3Confident95 Ų9541.3 Ų41.344%0.44421%0.21SC..Hα-helixtrans-52.6-45.7175-166.1163.8161.200110.6I39 C40 D41 C189 K190E37-I39 PolarHBondContact O-N 3.44Å; E37-C40 PolarHBondContact O-N 3.4Å; E37-D41 VanDerWaalsContact O-CB 3.32Å; E37-D41 WeakPolarHBondContact O-CB 3.38Å; E37-D41 PolarHBondContact O-N 3.13Å; E37-C189 HydrophobicContact CB-CB 4.45Å; E37-K190 IonicContact OE2-NZ 2.76Å; E37-K190 PolarHBondContact OE2-NZ 3.28Å
38N89.9Confident84.2Confident121 Ų12147 Ų4765%0.64724%0.235SC*.Hα-helixtrans-58.3-44.5176.6-66.7-26.7000113.8S36 F42S36-N38 PolarHBondContact O-N 2.99Å; N38-F42 WeakPolarHBondContact O-CB 3.39Å; N38-F42 PolarHBondContact O-N 3.48Å
39I90.9Very high86Confident20 Ų2049.6 Ų49.610%0.10325%0.245CC..Hα-helixtrans-68.7-44.7178.5-74.7169000110.3F34 S36 E37 F42 V43 F64 F84F34-I39 WeakPolarHBondContact O-CD1 3.18Å; S36-I39 PolarHBondContact O-N 3.33Å; S36-I39 VanDerWaalsContact O-N 3.14Å; S36-I39 WeakPolarHBondContact OG-CG1 3.34Å; S36-I39 PolarHBondContact OG-N 3.25Å; E37-I39 PolarHBondContact O-N 3.44Å; I39-F42 PolarHBondContact O-N 2.91Å; I39-V43 HydrophobicContact CG2-CG2 4.5Å; I39-V43 WeakPolarHBondContact O-CG2 3.29Å; I39-V43 PolarHBondContact O-N 2.89Å; I39-F64 HydrophobicContact CD1-CE1 4.46Å; I39-F64 HydrophobicContact CG2-CD1 4.33Å; I39-F64 HydrophobicContact CG2-CE1 4.47Å; I39-F84 HydrophobicContact CD1-CE1 3.81Å; I39-F84 HydrophobicContact CD1-CZ 4.3Å
40C93.8Very high87.6Confident0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-63.2-48.8-178.7-620000110.4S36 E37 F42 V43 M44 I61 F185 C189S36-C40 WeakPolarHBondContact O-CB 3.15Å; S36-C40 PolarHBondContact O-N 3.45Å; S36-C40 PolarHBondContact O-SG 3.19Å; E37-C40 PolarHBondContact O-N 3.4Å; C40-F42 VanDerWaalsContact C-N 3.33Å; C40-F42 PolarHBondContact O-N 3.44Å; C40-V43 PolarHBondContact O-N 2.91Å; C40-M44 VanDerWaalsContact O-CG 3.29Å; C40-M44 WeakPolarHBondContact O-CG 3.4Å; C40-M44 PolarHBondContact O-N 3.44Å; C40-I61 HydrophobicContact CB-CD1 4.19Å; C40-F185 HydrophobicContact CB-CD2 4.46Å; C40-F185 HydrophobicContact CB-CE2 3.61Å; C40-F185 HydrophobicContact CB-CZ 4.08Å; C40-C189 WeakPolarHBondContact CB-SG 3.25Å
41D93.8Very high89.3Confident56 Ų5645.6 Ų45.630%0.29923%0.231SC..Hα-helixtrans-58.8-43.8175.1-80.4-36.5000112E37 V43 M44 N45 F185E37-D41 VanDerWaalsContact O-CB 3.32Å; E37-D41 WeakPolarHBondContact O-CB 3.38Å; E37-D41 PolarHBondContact O-N 3.13Å; D41-V43 PolarHBondContact O-N 3.17Å; D41-M44 PolarHBondContact O-N 2.79Å; D41-N45 VanDerWaalsContact O-CB 3.28Å; D41-N45 WeakPolarHBondContact O-CB 3.46Å; D41-N45 PolarHBondContact O-N 3.01Å; D41-N45 PolarHBondContact O-ND2 3.01Å; D41-N45 VanDerWaalsContact O-ND2 3.09Å; D41-F185 WeakPolarHBondContact OD1-CZ 3.42Å
42F92.6Very high90.1Very high67 Ų6745.7 Ų45.729%0.29423%0.234SC..Hα-helixtrans-60.8-46.1178.1-178.7-90.6000111.6N38 I39 C40 N45 L46 V96 L99 L128N38-F42 WeakPolarHBondContact O-CB 3.39Å; N38-F42 PolarHBondContact O-N 3.48Å; I39-F42 PolarHBondContact O-N 2.91Å; C40-F42 VanDerWaalsContact C-N 3.33Å; C40-F42 PolarHBondContact O-N 3.44Å; F42-N45 PolarHBondContact O-N 3.48Å; F42-L46 HydrophobicContact CE1-CD2 4.15Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.24Å; F42-L46 PolarHBondContact O-N 3.26Å; F42-V96 HydrophobicContact CZ-CG1 4.43Å; F42-L99 HydrophobicContact CD1-CD2 3.39Å; F42-L99 HydrophobicContact CD1-CG 4.42Å; F42-L99 HydrophobicContact CE1-CD2 3.56Å; F42-L99 HydrophobicContact CE1-CG 4.3Å; F42-L128 HydrophobicContact CE2-CD1 4.41Å; F42-L128 HydrophobicContact CE2-CD2 4.39Å; F42-L128 HydrophobicContact CZ-CD1 3.91Å
43V95.2Very high90.7Very high1 Ų147.7 Ų47.71%0.00625%0.247CC..Hα-helixtrans-64.3-44.2177.5175.10000111.3I39 C40 D41 N45 L46 C47 A57 T60 I61 L99I39-V43 HydrophobicContact CG2-CG2 4.5Å; I39-V43 WeakPolarHBondContact O-CG2 3.29Å; I39-V43 PolarHBondContact O-N 2.89Å; C40-V43 PolarHBondContact O-N 2.91Å; D41-V43 PolarHBondContact O-N 3.17Å; V43-N45 PolarHBondContact O-N 3.35Å; V43-L46 PolarHBondContact O-N 3.47Å; V43-C47 WeakPolarHBondContact O-CB 3.43Å; V43-C47 PolarHBondContact O-N 3.44Å; V43-C47 PolarHBondContact O-SG 3.16Å; V43-A57 HydrophobicContact CG1-CB 4.17Å; V43-T60 HydrophobicContact CG1-CG2 3.85Å; V43-T60 HydrophobicContact CG2-CG2 4.34Å; V43-I61 HydrophobicContact CB-CD1 4.45Å; V43-I61 HydrophobicContact CB-CG1 3.97Å; V43-I61 HydrophobicContact CG1-CD1 4.45Å; V43-I61 HydrophobicContact CG1-CG1 3.91Å; V43-I61 HydrophobicContact CG2-CG1 4.17Å; V43-L99 HydrophobicContact CG2-CD1 3.67Å; V43-L99 HydrophobicContact CG2-CD2 4.06Å; V43-L99 HydrophobicContact CG2-CG 4.22Å
44M95.5Very high91.4Very high18 Ų1848.6 Ų48.69%0.08925%0.252CS..Hα-helixtrans-61-46.3177.7-70.5-58.7-71.600111.4C40 D41 L46 C47 K48 A57 F58 F185C40-M44 VanDerWaalsContact O-CG 3.29Å; C40-M44 WeakPolarHBondContact O-CG 3.4Å; C40-M44 PolarHBondContact O-N 3.44Å; D41-M44 PolarHBondContact O-N 2.79Å; M44-L46 VanDerWaalsContact C-N 3.33Å; M44-L46 PolarHBondContact O-N 3.29Å; M44-C47 PolarHBondContact O-N 2.94Å; M44-K48 WeakPolarHBondContact O-CG 3.32Å; M44-K48 PolarHBondContact O-N 2.62Å; M44-A57 HydrophobicContact SD-CB 3.4Å; M44-A57 WeakPolarHBondContact SD-CB 3.46Å; M44-F58 HydrophobicContact SD-CE1 4.4Å; M44-F185 HydrophobicContact CB-CE2 4.38Å; M44-F185 HydrophobicContact CG-CD2 3.65Å; M44-F185 HydrophobicContact CG-CE2 3.33Å; M44-F185 HydrophobicContact CG-CZ 4.29Å; M44-F185 HydrophobicContact SD-CD2 4.17Å; M44-F185 HydrophobicContact SD-CE2 4.43Å
45N93.6Very high91.8Very high94 Ų9451.6 Ų51.650%0.50327%0.266SS..Hα-helixtrans-65.1-38.2178.4-72.1-31.5000112D41 F42 V43 K48 L49D41-N45 VanDerWaalsContact O-CB 3.28Å; D41-N45 WeakPolarHBondContact O-CB 3.46Å; D41-N45 PolarHBondContact O-N 3.01Å; D41-N45 PolarHBondContact O-ND2 3.01Å; D41-N45 VanDerWaalsContact O-ND2 3.09Å; F42-N45 PolarHBondContact O-N 3.48Å; V43-N45 PolarHBondContact O-N 3.35Å; N45-K48 PolarHBondContact O-N 3.49Å; N45-L49 WeakPolarHBondContact O-CB 3.44Å; N45-L49 PolarHBondContact O-N 2.54Å
46L91.8Very high92.1Very high8 Ų851.3 Ų51.34%0.04227%0.265CS..Hα-helixtrans-65.6-42.7175.5-174.959.6000111.8F42 V43 M44 L49 L50 I100 L103 V124F42-L46 HydrophobicContact CE1-CD2 4.15Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.24Å; F42-L46 PolarHBondContact O-N 3.26Å; V43-L46 PolarHBondContact O-N 3.47Å; M44-L46 VanDerWaalsContact C-N 3.33Å; M44-L46 PolarHBondContact O-N 3.29Å; L46-L49 HydrophobicContact CD1-CD2 4.48Å; L46-L49 PolarHBondContact O-N 3.24Å; L46-L50 HydrophobicContact CD1-CD1 4.4Å; L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CB 3.27Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.78Å; L46-I100 HydrophobicContact CD2-CG1 3.95Å; L46-L103 HydrophobicContact CD2-CD2 3.44Å; L46-L103 VanDerWaalsContact CD2-CD2 3.44Å; L46-L103 HydrophobicContact CG-CD2 3.65Å; L46-V124 HydrophobicContact CD1-CG1 3.61Å
47C93.9Very high92.6Very high2 Ų249.7 Ų49.71%0.01425%0.254CS..Hα-helixtrans-64.1-42.4175.6-67.90000111.5V43 M44 L49 L50 N51 A52 A57V43-C47 WeakPolarHBondContact O-CB 3.43Å; V43-C47 PolarHBondContact O-N 3.44Å; V43-C47 PolarHBondContact O-SG 3.16Å; M44-C47 PolarHBondContact O-N 2.94Å; C47-L49 PolarHBondContact O-N 3.1Å; C47-L50 CarbonylContact O-C 3.59Å; C47-L50 PolarHBondContact O-N 3.45Å; C47-L50 VanDerWaalsContact O-N 3.14Å; C47-N51 PolarHBondContact O-N 3.49Å; C47-A52 HydrophobicContact CB-CB 4.09Å; C47-A52 PolarHBondContact O-N 2.94Å; C47-A57 HydrophobicContact CB-CB 3.98Å; C47-A57 VanDerWaalsContact SG-CA 3.6Å
48K92.9Very high92.8Very high129 Ų12945.2 Ų45.256%0.56123%0.233SC*.Hα-helixtrans-58.1-47.4172.7-74173.5-1781750112M44 N45 L50 N51M44-K48 WeakPolarHBondContact O-CG 3.32Å; M44-K48 PolarHBondContact O-N 2.62Å; N45-K48 PolarHBondContact O-N 3.49Å; K48-L50 PolarHBondContact O-N 3.24Å; K48-N51 PolarHBondContact O-N 3.31Å
49L89.6Confident93Very high102 Ų10240 Ų4053%0.53420%0.204SC..Hα-helixtrans-57.5-37.8176.2179.566.2000111.9N45 L46 C47 N51N45-L49 WeakPolarHBondContact O-CB 3.44Å; N45-L49 PolarHBondContact O-N 2.54Å; L46-L49 HydrophobicContact CD1-CD2 4.48Å; L46-L49 PolarHBondContact O-N 3.24Å; C47-L49 PolarHBondContact O-N 3.1Å; L49-N51 VanDerWaalsContact C-N 3.31Å
50L88.4Confident93.2Very high28 Ų2839 Ų3915%0.14720%0.2CC..Hα-helixtrans-82.9-5.5178.6-66.7173.9000113.5L46 C47 K48 A52 L103 K114 L116 V124L46-L50 HydrophobicContact CD1-CD1 4.4Å; L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CB 3.27Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.78Å; C47-L50 CarbonylContact O-C 3.59Å; C47-L50 PolarHBondContact O-N 3.45Å; C47-L50 VanDerWaalsContact O-N 3.14Å; K48-L50 PolarHBondContact O-N 3.24Å; L50-A52 HydrophobicContact CB-CB 4.47Å; L50-A52 PolarHBondContact O-N 3.06Å; L50-L103 HydrophobicContact CD1-CD2 3.64Å; L50-L103 HydrophobicContact CD1-CG 4.49Å; L50-K114 WeakPolarHBondContact O-CE 3.48Å; L50-K114 PolarHBondContact O-NZ 2.8Å; L50-L116 HydrophobicContact CD1-CD1 4.05Å; L50-L116 HydrophobicContact CD1-CD2 4.1Å; L50-L116 HydrophobicContact CD2-CD1 3.86Å; L50-V124 HydrophobicContact CD2-CG2 3.96Å
51N90.8Very high93.3Very high116 Ų11639.1 Ų39.162%0.6220%0.2SC*.THydrogen-bonded Turntrans49.642.4-167.2-54.6-88.4000111.6C47 K48 L49 Y111C47-N51 PolarHBondContact O-N 3.49Å; K48-N51 PolarHBondContact O-N 3.31Å; L49-N51 VanDerWaalsContact C-N 3.31Å; N51-Y111 PolarHBondContact O-OH 3Å
52A92.5Very high93.2Very high12 Ų1236.4 Ų36.410%0.09919%0.186CC..  trans-87.4144.4168.800000108.8C47 L50 V56 Y111C47-A52 HydrophobicContact CB-CB 4.09Å; C47-A52 PolarHBondContact O-N 2.94Å; L50-A52 HydrophobicContact CB-CB 4.47Å; L50-A52 PolarHBondContact O-N 3.06Å; A52-V56 HydrophobicContact CB-CB 4.11Å; A52-V56 HydrophobicContact CB-CG1 4Å; A52-V56 HydrophobicContact CB-CG2 4.45Å; A52-Y111 HydrophobicContact CB-CE1 4.43Å
53P93.1Very high93.2Very high43 Ų4333.3 Ų33.328%0.27917%0.172SC..  trans-76.9163.6-177.839.3-41.9000110.5E55 V56 Y111P53-E55 WeakPolarHBondContact CB-OE2 3.4Å; P53-E55 WeakPolarHBondContact CG-OE2 3.35Å; P53-E55 PolarHBondContact O-N 3.4Å; P53-V56 HydrophobicContact CG-CG2 3.96Å; P53-V56 WeakPolarHBondContact O-CB 3.12Å; P53-V56 PolarHBondContact O-N 3.24Å; P53-Y111 VanDerWaalsContact CD-CZ 3.48Å; P53-Y111 HydrophobicContact CG-CD2 3.94Å; P53-Y111 HydrophobicContact CG-CE2 3.86Å; P53-Y111 HydrophobicContact CG-CG 4.43Å
54D93.4Very high93.1Very high54 Ų5433.4 Ų33.429%0.28917%0.172SC..Hα-helixtrans-60.6-30.1-171.1-73.2-17.6000112.9V56 A57 F58 N181D54-V56 PolarHBondContact O-N 3.13Å; D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.22Å; D54-A57 PolarHBondContact O-N 3.33Å; D54-F58 HydrophobicContact CB-CD2 4.23Å; D54-F58 HydrophobicContact CB-CE2 3.77Å; D54-F58 WeakPolarHBondContact O-CD2 3.38Å; D54-F58 PolarHBondContact O-N 3.3Å; D54-N181 PolarHBondContact OD2-ND2 2.75Å
55E92.8Very high92.8Very high77 Ų7732.6 Ų32.636%0.3617%0.168SC..Hα-helixtrans-61.4-34.8177.5-51.984.4173.300111.2P53 A57 K59 E158P53-E55 WeakPolarHBondContact CB-OE2 3.4Å; P53-E55 WeakPolarHBondContact CG-OE2 3.35Å; P53-E55 PolarHBondContact O-N 3.4Å; E55-A57 VanDerWaalsContact C-N 3.35Å; E55-K59 VanDerWaalsContact O-CB 3.25Å; E55-K59 WeakPolarHBondContact O-CB 3.47Å; E55-K59 PolarHBondContact O-N 2.76Å; E55-E158 WeakPolarHBondContact CG-OE1 3.19Å
56V94.7Very high92.6Very high1 Ų128.2 Ų28.21%0.00615%0.145CC..Hα-helixtrans-65.3-40.8172.9172.90000110.6A52 P53 D54 T60 L103 V106 T107 I110 Y111A52-V56 HydrophobicContact CB-CB 4.11Å; A52-V56 HydrophobicContact CB-CG1 4Å; A52-V56 HydrophobicContact CB-CG2 4.45Å; P53-V56 HydrophobicContact CG-CG2 3.96Å; P53-V56 WeakPolarHBondContact O-CB 3.12Å; P53-V56 PolarHBondContact O-N 3.24Å; D54-V56 PolarHBondContact O-N 3.13Å; V56-T60 WeakPolarHBondContact O-CB 3.31Å; V56-T60 PolarHBondContact O-N 3.43Å; V56-T60 PolarHBondContact O-OG1 2.94Å; V56-L103 HydrophobicContact CG1-CD1 3.39Å; V56-V106 HydrophobicContact CB-CG1 4.48Å; V56-V106 HydrophobicContact CG1-CG1 4Å; V56-T107 HydrophobicContact CG1-CG2 3.86Å; V56-I110 HydrophobicContact CG2-CD1 4.21Å; V56-I110 HydrophobicContact CG2-CG1 4.16Å; V56-Y111 HydrophobicContact CG2-CD1 4.33Å; V56-Y111 HydrophobicContact CG2-CG 4.04Å
57A95.5Very high92.5Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-65.5-50179.400000111.3V43 M44 C47 D54 E55 K59 T60 I61V43-A57 HydrophobicContact CG1-CB 4.17Å; M44-A57 HydrophobicContact SD-CB 3.4Å; M44-A57 WeakPolarHBondContact SD-CB 3.46Å; C47-A57 HydrophobicContact CB-CB 3.98Å; C47-A57 VanDerWaalsContact SG-CA 3.6Å; D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.22Å; D54-A57 PolarHBondContact O-N 3.33Å; E55-A57 VanDerWaalsContact C-N 3.35Å; A57-K59 PolarHBondContact O-N 2.92Å; A57-T60 WeakPolarHBondContact O-CB 3.31Å; A57-T60 PolarHBondContact O-N 3.39Å; A57-I61 WeakPolarHBondContact O-CG1 3.47Å; A57-I61 PolarHBondContact O-N 2.72Å
58F94.9Very high92.2Very high1 Ų127.8 Ų27.80%0.00414%0.143CC..Hα-helixtrans-64.3-43.4-179.9-62.8-53.8000112.4M44 D54 T60 I61 E62 E158 N181 M184 F185 Y188M44-F58 HydrophobicContact SD-CE1 4.4Å; D54-F58 HydrophobicContact CB-CD2 4.23Å; D54-F58 HydrophobicContact CB-CE2 3.77Å; D54-F58 WeakPolarHBondContact O-CD2 3.38Å; D54-F58 PolarHBondContact O-N 3.3Å; F58-T60 VanDerWaalsContact C-N 3.28Å; F58-T60 PolarHBondContact O-N 3.13Å; F58-I61 HydrophobicContact CD1-CD1 4.46Å; F58-I61 PolarHBondContact O-N 3.11Å; F58-E62 PolarHBondContact O-N 3.23Å; F58-E62 VanDerWaalsContact O-N 3.14Å; F58-E158 HydrophobicContact CB-CB 4.07Å; F58-E158 HydrophobicContact CB-CG 4.37Å; F58-E158 HydrophobicContact CD2-CG 4.12Å; F58-N181 HydrophobicContact CE2-CB 4.38Å; F58-N181 HydrophobicContact CZ-CB 4.39Å; F58-M184 HydrophobicContact CD1-CE 4.33Å; F58-M184 HydrophobicContact CD1-CG 4.34Å; F58-M184 HydrophobicContact CD1-SD 4.43Å; F58-M184 HydrophobicContact CD2-CE 3.3Å; F58-M184 HydrophobicContact CD2-SD 4.14Å; F58-M184 HydrophobicContact CE1-CE 4.16Å; F58-M184 HydrophobicContact CE1-CG 4.15Å; F58-M184 HydrophobicContact CE2-CE 3.1Å; F58-M184 HydrophobicContact CE2-SD 4.32Å; F58-M184 HydrophobicContact CG-CE 3.94Å; F58-M184 HydrophobicContact CG-SD 4.2Å; F58-M184 HydrophobicContact CZ-CE 3.57Å; F58-M184 HydrophobicContact CZ-CG 4.33Å; F58-F185 HydrophobicContact CE1-CB 4.14Å; F58-F185 HydrophobicContact CE1-CD2 4.44Å; F58-F185 HydrophobicContact CZ-CB 4.37Å; F58-Y188 HydrophobicContact CB-CE2 4.06Å; F58-Y188 AromaticContact CD1-CD2 3.54Å; F58-Y188 HydrophobicContact CD1-CD2 3.54Å; F58-Y188 AromaticContact CD1-CE2 3.24Å; F58-Y188 HydrophobicContact CD1-CE2 3.24Å; F58-Y188 AromaticContact CE1-CD2 3.87Å; F58-Y188 HydrophobicContact CE1-CD2 3.87Å; F58-Y188 AromaticContact CE1-CE2 3.92Å; F58-Y188 HydrophobicContact CE1-CE2 3.92Å; F58-Y188 AromaticContact CG-CE2 3.89Å; F58-Y188 HydrophobicContact CG-CE2 3.89Å
59K93.7Very high91.7Very high10 Ų1022.1 Ų22.14%0.04312%0.118CC..Hα-helixtrans-62.9-36.6175-164103-158.7178.90111.5E55 A57 E62 M63 V106 I110 Y154 T156 E159E55-K59 VanDerWaalsContact O-CB 3.25Å; E55-K59 WeakPolarHBondContact O-CB 3.47Å; E55-K59 PolarHBondContact O-N 2.76Å; A57-K59 PolarHBondContact O-N 2.92Å; K59-E62 PolarHBondContact O-N 2.91Å; K59-M63 HydrophobicContact CD-CE 4.34Å; K59-M63 VanDerWaalsContact CE-CE 3.46Å; K59-M63 HydrophobicContact CG-CE 4.01Å; K59-M63 HydrophobicContact CG-CG 4.39Å; K59-M63 HydrophobicContact CG-SD 4.14Å; K59-M63 WeakPolarHBondContact O-CB 3.33Å; K59-M63 WeakPolarHBondContact O-CG 3.35Å; K59-M63 PolarHBondContact O-N 3.25Å; K59-V106 HydrophobicContact CB-CG1 3.84Å; K59-V106 HydrophobicContact CG-CG1 4.07Å; K59-V106 HydrophobicContact CG-CG2 4.48Å; K59-I110 HydrophobicContact CB-CD1 3.94Å; K59-I110 HydrophobicContact CD-CD1 4.5Å; K59-I110 HydrophobicContact CG-CD1 4.27Å; K59-Y154 PolarHBondContact NZ-O 2.8Å; K59-T156 HydrophobicContact CD-CG2 3.52Å; K59-T156 HydrophobicContact CG-CG2 4.25Å; K59-E159 IonicContact NZ-OE1 3.02Å; K59-E159 IonicContact NZ-OE2 2.78Å; K59-E159 PolarHBondContact NZ-OE2 3.03Å
60T95.3Very high91.4Very high1 Ų118.7 Ų18.71%0.00610%0.1CC..Hα-helixtrans-64.1-46.5175.3-62.20000112.1V43 V56 A57 F58 E62 M63 F64 L99 V102 L103V43-T60 HydrophobicContact CG1-CG2 3.85Å; V43-T60 HydrophobicContact CG2-CG2 4.34Å; V56-T60 WeakPolarHBondContact O-CB 3.31Å; V56-T60 PolarHBondContact O-N 3.43Å; V56-T60 PolarHBondContact O-OG1 2.94Å; A57-T60 WeakPolarHBondContact O-CB 3.31Å; A57-T60 PolarHBondContact O-N 3.39Å; F58-T60 VanDerWaalsContact C-N 3.28Å; F58-T60 PolarHBondContact O-N 3.13Å; T60-E62 VanDerWaalsContact C-N 3.3Å; T60-E62 PolarHBondContact O-N 3.31Å; T60-M63 PolarHBondContact O-N 2.87Å; T60-F64 WeakPolarHBondContact O-CB 3.43Å; T60-F64 PolarHBondContact O-N 2.7Å; T60-L99 HydrophobicContact CG2-CD1 4.24Å; T60-V102 HydrophobicContact CG2-CG1 4.19Å; T60-L103 HydrophobicContact CG2-CB 3.9Å; T60-L103 HydrophobicContact CG2-CD1 4.25Å; T60-L103 VanDerWaalsContact OG1-CD1 3.25Å; T60-L103 WeakPolarHBondContact OG1-CD1 3.47Å
61I94.9Very high91.2Very high1 Ų120.6 Ų20.61%0.00511%0.106CC..Hα-helixtrans-55.8-48.1177.4-69.8165.4000110.1Y35 C40 V43 A57 F58 F64 D65 Y188Y35-I61 HydrophobicContact CD1-CG2 3.61Å; Y35-I61 HydrophobicContact CE1-CG2 3.47Å; Y35-I61 VanDerWaalsContact CE1-CG2 3.47Å; Y35-I61 WeakPolarHBondContact CE1-O 3.48Å; Y35-I61 HydrophobicContact CG-CG2 4.31Å; C40-I61 HydrophobicContact CB-CD1 4.19Å; V43-I61 HydrophobicContact CB-CD1 4.45Å; V43-I61 HydrophobicContact CB-CG1 3.97Å; V43-I61 HydrophobicContact CG1-CD1 4.45Å; V43-I61 HydrophobicContact CG1-CG1 3.91Å; V43-I61 HydrophobicContact CG2-CG1 4.17Å; A57-I61 WeakPolarHBondContact O-CG1 3.47Å; A57-I61 PolarHBondContact O-N 2.72Å; F58-I61 HydrophobicContact CD1-CD1 4.46Å; F58-I61 PolarHBondContact O-N 3.11Å; I61-F64 PolarHBondContact O-N 2.99Å; I61-D65 PolarHBondContact O-N 3.15Å; I61-D65 VanDerWaalsContact O-N 3.13Å; I61-Y188 HydrophobicContact CG2-CD1 3.69Å; I61-Y188 HydrophobicContact CG2-CE1 4.15Å; I61-Y188 HydrophobicContact CG2-CG 4.25Å
62E92.7Very high90.6Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-67.7-45.1179.7-69.1-153.3-159.100114.5R31 F58 K59 T60 F64 D65 R66 T156 L157 Y188R31-E62 IonicContact CZ-OE1 3.84Å; R31-E62 IonicContact CZ-OE2 3.05Å; R31-E62 IonicContact NE-OE2 2.63Å; R31-E62 IonicContact NH2-OE1 3.55Å; R31-E62 PolarHBondContact NH2-OE1 3.45Å; R31-E62 IonicContact NH2-OE2 2.67Å; R31-E62 PolarHBondContact NH2-OE2 3.18Å; F58-E62 PolarHBondContact O-N 3.23Å; F58-E62 VanDerWaalsContact O-N 3.14Å; K59-E62 PolarHBondContact O-N 2.91Å; T60-E62 VanDerWaalsContact C-N 3.3Å; T60-E62 PolarHBondContact O-N 3.31Å; E62-F64 PolarHBondContact O-N 3.37Å; E62-D65 PolarHBondContact O-N 2.91Å; E62-R66 WeakPolarHBondContact O-CG 3.38Å; E62-R66 PolarHBondContact O-N 2.67Å; E62-R66 IonicContact OE2-CZ 3.85Å; E62-R66 IonicContact OE2-NH2 2.83Å; E62-R66 PolarHBondContact OE2-NH2 2.99Å; E62-T156 HydrophobicContact CB-CG2 4.07Å; E62-T156 VanDerWaalsContact CD-CG2 3.43Å; E62-T156 HydrophobicContact CG-CG2 4.1Å; E62-T156 VanDerWaalsContact OE1-CA 3.29Å; E62-T156 WeakPolarHBondContact OE1-CA 3.45Å; E62-T156 WeakPolarHBondContact OE1-CB 3.5Å; E62-T156 VanDerWaalsContact OE2-CA 3.32Å; E62-T156 WeakPolarHBondContact OE2-CA 3.37Å; E62-T156 WeakPolarHBondContact OE2-CG2 3.47Å; E62-L157 PolarHBondContact OE1-N 2.92Å; E62-Y188 HydrophobicContact CG-CE1 3.66Å; E62-Y188 PolarHBondContact OE1-OH 3.08Å
63M92.6Very high89.5Confident2 Ų221 Ų211%0.0110%0.1CC..Hα-helixtrans-65.8-32.3178.7-77.3-173.2170.400111.4K59 T60 F67 V102 V106 L109 L148 L152K59-M63 HydrophobicContact CD-CE 4.34Å; K59-M63 VanDerWaalsContact CE-CE 3.46Å; K59-M63 HydrophobicContact CG-CE 4.01Å; K59-M63 HydrophobicContact CG-CG 4.39Å; K59-M63 HydrophobicContact CG-SD 4.14Å; K59-M63 WeakPolarHBondContact O-CB 3.33Å; K59-M63 WeakPolarHBondContact O-CG 3.35Å; K59-M63 PolarHBondContact O-N 3.25Å; T60-M63 PolarHBondContact O-N 2.87Å; M63-F67 VanDerWaalsContact O-CB 3.24Å; M63-F67 WeakPolarHBondContact O-CB 3.44Å; M63-F67 PolarHBondContact O-N 3.37Å; M63-V102 HydrophobicContact CB-CG1 3.65Å; M63-V106 HydrophobicContact CB-CG2 4.28Å; M63-V106 HydrophobicContact CG-CG2 4.31Å; M63-V106 HydrophobicContact SD-CG2 3.37Å; M63-V106 WeakPolarHBondContact SD-CG2 3.21Å; M63-L109 HydrophobicContact CE-CD1 3.57Å; M63-L109 HydrophobicContact SD-CD1 3.99Å; M63-L148 HydrophobicContact CB-CD1 4.22Å; M63-L152 HydrophobicContact CE-CD2 4.24Å; M63-L152 VanDerWaalsContact CE-O 3.31Å; M63-L152 WeakPolarHBondContact CE-O 3.44Å
64F93.5Very high87.7Confident2 Ų226.2 Ų26.21%0.00913%0.126CC..Hα-helixtrans-69.8-46.1177.6-175.4-119.4000111.8I39 T60 I61 E62 R66 F67 L68 I95 L99 V102I39-F64 HydrophobicContact CD1-CE1 4.46Å; I39-F64 HydrophobicContact CG2-CD1 4.33Å; I39-F64 HydrophobicContact CG2-CE1 4.47Å; T60-F64 WeakPolarHBondContact O-CB 3.43Å; T60-F64 PolarHBondContact O-N 2.7Å; I61-F64 PolarHBondContact O-N 2.99Å; E62-F64 PolarHBondContact O-N 3.37Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.82Å; F64-F67 HydrophobicContact CD2-CD1 4.47Å; F64-F67 WeakPolarHBondContact O-CB 3.42Å; F64-F67 PolarHBondContact O-N 3.47Å; F64-F67 VanDerWaalsContact O-N 3.14Å; F64-L68 HydrophobicContact CD1-CD1 4.04Å; F64-L68 HydrophobicContact CD1-CG 4.49Å; F64-L68 HydrophobicContact CD2-CG 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.54Å; F64-L68 HydrophobicContact CE1-CG 4.22Å; F64-L68 HydrophobicContact CE2-CD1 4.25Å; F64-L68 HydrophobicContact CE2-CD2 3.97Å; F64-L68 HydrophobicContact CE2-CG 4.07Å; F64-L68 HydrophobicContact CZ-CD1 3.67Å; F64-L68 HydrophobicContact CZ-CD2 4.01Å; F64-L68 HydrophobicContact CZ-CG 4.01Å; F64-L68 WeakPolarHBondContact O-CG 3.43Å; F64-L68 PolarHBondContact O-N 3.46Å; F64-I95 HydrophobicContact CZ-CG2 3.87Å; F64-L99 HydrophobicContact CB-CD1 3.98Å; F64-L99 HydrophobicContact CD1-CD1 3.66Å; F64-L99 HydrophobicContact CD2-CB 4.2Å; F64-L99 HydrophobicContact CD2-CD1 3.73Å; F64-L99 HydrophobicContact CE1-CB 4.46Å; F64-L99 HydrophobicContact CE1-CD1 3.96Å; F64-L99 HydrophobicContact CE1-CD2 4.48Å; F64-L99 HydrophobicContact CE2-CB 3.75Å; F64-L99 HydrophobicContact CE2-CD1 4.05Å; F64-L99 HydrophobicContact CE2-CG 4.49Å; F64-L99 HydrophobicContact CG-CD1 3.52Å; F64-L99 HydrophobicContact CZ-CB 3.88Å; F64-L99 HydrophobicContact CZ-CD1 4.13Å; F64-L99 HydrophobicContact CZ-CG 4.44Å; F64-V102 HydrophobicContact CB-CG1 4.15Å; F64-V102 HydrophobicContact CD2-CB 4.43Å; F64-V102 HydrophobicContact CD2-CG2 4.07Å
65D89.2Confident85.8Confident1 Ų127.3 Ų27.31%0.00513%0.131CC..Hα-helixtrans-58.4-43.6174.1174.677.5000112G32 L33 F34 Y35 I61 E62 L68 L69G32-D65 WeakPolarHBondContact CA-OD1 3.45Å; G32-D65 PolarHBondContact N-OD1 2.78Å; G32-D65 PolarHBondContact N-OD2 3.41Å; L33-D65 PolarHBondContact N-OD1 2.96Å; F34-D65 WeakPolarHBondContact CD2-OD1 3.22Å; F34-D65 PolarHBondContact N-OD1 2.87Å; Y35-D65 HydrophobicContact CD1-CB 3.93Å; Y35-D65 HydrophobicContact CE1-CB 3.3Å; I61-D65 PolarHBondContact O-N 3.15Å; I61-D65 VanDerWaalsContact O-N 3.13Å; E62-D65 PolarHBondContact O-N 2.91Å; D65-L68 PolarHBondContact O-N 3.05Å; D65-L69 WeakPolarHBondContact O-CB 3.3Å; D65-L69 PolarHBondContact O-N 2.95Å
66R87.8Confident84Confident3 Ų328.3 Ų28.31%0.01115%0.147CC..Hα-helixtrans-59.5-48.4171.7-77.2-179.4-171126.134.3112.3Y27 E62 F64 L68 L69 L70 L148Y27-R66 HydrophobicContact CD2-CG 4.01Å; Y27-R66 HydrophobicContact CE1-CG 4.12Å; Y27-R66 HydrophobicContact CE2-CB 4.36Å; Y27-R66 HydrophobicContact CE2-CG 3.27Å; Y27-R66 WeakPolarHBondContact OH-CG 3.49Å; Y27-R66 PolarHBondContact OH-NE 3.48Å; Y27-R66 PolarHBondContact OH-NH2 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.38Å; E62-R66 PolarHBondContact O-N 2.67Å; E62-R66 IonicContact OE2-CZ 3.85Å; E62-R66 IonicContact OE2-NH2 2.83Å; E62-R66 PolarHBondContact OE2-NH2 2.99Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.82Å; R66-L68 VanDerWaalsContact C-N 3.33Å; R66-L68 PolarHBondContact O-N 2.96Å; R66-L69 PolarHBondContact O-N 3.23Å; R66-L70 WeakPolarHBondContact O-CB 3.42Å; R66-L70 VanDerWaalsContact O-CG 3.27Å; R66-L70 WeakPolarHBondContact O-CG 3.21Å; R66-L70 PolarHBondContact O-N 3.43Å; R66-L148 HydrophobicContact CB-CD2 3.84Å
67F90.5Very high82Confident0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-58-49-179.1169.4-100.4000110.1M63 F64 L69 L70 Y71 Y98 V102 V144 T147 L148M63-F67 VanDerWaalsContact O-CB 3.24Å; M63-F67 WeakPolarHBondContact O-CB 3.44Å; M63-F67 PolarHBondContact O-N 3.37Å; F64-F67 HydrophobicContact CD2-CD1 4.47Å; F64-F67 WeakPolarHBondContact O-CB 3.42Å; F64-F67 PolarHBondContact O-N 3.47Å; F64-F67 VanDerWaalsContact O-N 3.14Å; F67-L69 PolarHBondContact O-N 2.89Å; F67-L70 PolarHBondContact O-N 3.48Å; F67-Y71 HydrophobicContact CE1-CG 4.17Å; F67-Y71 AromaticContact CE2-CD2 3.97Å; F67-Y71 HydrophobicContact CE2-CD2 3.97Å; F67-Y71 HydrophobicContact CE2-CG 4.23Å; F67-Y71 HydrophobicContact CZ-CD1 4.45Å; F67-Y71 AromaticContact CZ-CD2 3.65Å; F67-Y71 HydrophobicContact CZ-CD2 3.65Å; F67-Y71 HydrophobicContact CZ-CE2 4.33Å; F67-Y71 AromaticContact CZ-CG 3.73Å; F67-Y71 HydrophobicContact CZ-CG 3.73Å; F67-Y71 WeakPolarHBondContact O-CA 3.28Å; F67-Y71 WeakPolarHBondContact O-CB 3.3Å; F67-Y71 PolarHBondContact O-N 3.49Å; F67-Y98 HydrophobicContact CD1-CG 4.47Å; F67-Y98 AromaticContact CE1-CD1 3.63Å; F67-Y98 HydrophobicContact CE1-CD1 3.63Å; F67-Y98 AromaticContact CE1-CD2 3.78Å; F67-Y98 HydrophobicContact CE1-CD2 3.78Å; F67-Y98 HydrophobicContact CE1-CE1 4.24Å; F67-Y98 HydrophobicContact CE1-CE2 4.33Å; F67-Y98 AromaticContact CE1-CG 3.4Å; F67-Y98 HydrophobicContact CE1-CG 3.4Å; F67-Y98 HydrophobicContact CE2-CD1 4.48Å; F67-Y98 AromaticContact CZ-CD1 3.45Å; F67-Y98 HydrophobicContact CZ-CD1 3.45Å; F67-Y98 VanDerWaalsContact CZ-CD1 3.45Å; F67-Y98 HydrophobicContact CZ-CD2 4.14Å; F67-Y98 AromaticContact CZ-CE1 3.68Å; F67-Y98 HydrophobicContact CZ-CE1 3.68Å; F67-Y98 HydrophobicContact CZ-CE2 4.29Å; F67-Y98 AromaticContact CZ-CG 3.73Å; F67-Y98 HydrophobicContact CZ-CG 3.73Å; F67-V102 HydrophobicContact CB-CG2 4.18Å; F67-V102 HydrophobicContact CD1-CG2 4.44Å; F67-V102 HydrophobicContact CG-CG2 4.26Å; F67-V144 HydrophobicContact CD2-CB 4.31Å; F67-V144 HydrophobicContact CD2-CG1 4.41Å; F67-V144 HydrophobicContact CD2-CG2 3.94Å; F67-V144 HydrophobicContact CE1-CG2 4.48Å; F67-V144 HydrophobicContact CE2-CB 4.29Å; F67-V144 HydrophobicContact CE2-CG2 3.73Å; F67-V144 HydrophobicContact CG-CG2 4.41Å; F67-V144 HydrophobicContact CZ-CG2 4.02Å; F67-T147 HydrophobicContact CD2-CG2 3.71Å; F67-T147 HydrophobicContact CE2-CG2 4Å; F67-L148 HydrophobicContact CB-CD1 4.26Å; F67-L148 HydrophobicContact CB-CD2 4Å; F67-L148 HydrophobicContact CB-CG 4.2Å; F67-L148 HydrophobicContact CD2-CG 4.49Å
68L87.6Confident79.9Confident1 Ų138.7 Ų38.71%0.00519%0.194CC..Hα-helixtrans-62.6-42.5179-65.4-176.9000112.2F34 F64 D65 R66 L70 F72 F84F34-L68 HydrophobicContact CB-CD1 3.85Å; F34-L68 HydrophobicContact CD1-CB 4.37Å; F34-L68 HydrophobicContact CD1-CD1 3.78Å; F34-L68 HydrophobicContact CD2-CB 3.58Å; F34-L68 HydrophobicContact CD2-CD1 4.04Å; F34-L68 HydrophobicContact CD2-CG 4.45Å; F34-L68 HydrophobicContact CE1-CB 4.29Å; F34-L68 HydrophobicContact CE1-CD1 4.32Å; F34-L68 HydrophobicContact CE2-CB 3.48Å; F34-L68 VanDerWaalsContact CE2-CB 3.48Å; F34-L68 HydrophobicContact CG-CB 4.03Å; F34-L68 HydrophobicContact CG-CD1 3.61Å; F34-L68 HydrophobicContact CG-CG 4.48Å; F34-L68 HydrophobicContact CZ-CB 3.86Å; F64-L68 HydrophobicContact CD1-CD1 4.04Å; F64-L68 HydrophobicContact CD1-CG 4.49Å; F64-L68 HydrophobicContact CD2-CG 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.54Å; F64-L68 HydrophobicContact CE1-CG 4.22Å; F64-L68 HydrophobicContact CE2-CD1 4.25Å; F64-L68 HydrophobicContact CE2-CD2 3.97Å; F64-L68 HydrophobicContact CE2-CG 4.07Å; F64-L68 HydrophobicContact CZ-CD1 3.67Å; F64-L68 HydrophobicContact CZ-CD2 4.01Å; F64-L68 HydrophobicContact CZ-CG 4.01Å; F64-L68 WeakPolarHBondContact O-CG 3.43Å; F64-L68 PolarHBondContact O-N 3.46Å; D65-L68 PolarHBondContact O-N 3.05Å; R66-L68 VanDerWaalsContact C-N 3.33Å; R66-L68 PolarHBondContact O-N 2.96Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.48Å; L68-F72 HydrophobicContact CB-CD2 4.19Å; L68-F72 HydrophobicContact CB-CE2 4.29Å; L68-F72 HydrophobicContact CD2-CD2 4.46Å; L68-F72 HydrophobicContact CD2-CE2 3.79Å; L68-F72 VanDerWaalsContact O-CB 3.31Å; L68-F72 WeakPolarHBondContact O-CB 3.42Å; L68-F72 WeakPolarHBondContact O-CD2 3.14Å; L68-F72 WeakPolarHBondContact O-CG 3.44Å; L68-F72 PolarHBondContact O-N 3.38Å; L68-F84 HydrophobicContact CD1-CE2 4.03Å; L68-F84 HydrophobicContact CD1-CZ 4Å
69L81.8Confident77.7Confident9 Ų940.2 Ų40.25%0.04721%0.21CC..Hα-helixtrans-58.2-45.4175.8172.970.1000111.8Y27 F34 D65 R66 F67 K73 F77Y27-L69 HydrophobicContact CD2-CD2 3.5Å; Y27-L69 HydrophobicContact CE2-CD2 4.28Å; Y27-L69 HydrophobicContact CG-CD2 4.43Å; F34-L69 HydrophobicContact CE2-CB 4.38Å; D65-L69 WeakPolarHBondContact O-CB 3.3Å; D65-L69 PolarHBondContact O-N 2.95Å; R66-L69 PolarHBondContact O-N 3.23Å; F67-L69 PolarHBondContact O-N 2.89Å; L69-K73 PolarHBondContact O-N 3.45Å; L69-K73 VanDerWaalsContact O-N 3.15Å; L69-F77 HydrophobicContact CD1-CE1 3.92Å; L69-F77 HydrophobicContact CD1-CE2 3.54Å; L69-F77 HydrophobicContact CD1-CZ 3.13Å; L69-F77 HydrophobicContact CG-CZ 4.38Å
70L83.2Confident75.7Confident30 Ų3042 Ų4216%0.15722%0.217CC..Hα-helixtrans-76.4-40.7-177.3-65.3177.5000112.1I24 R66 F67 L68 F72 K73 T147 L148I24-L70 HydrophobicContact CD1-CD2 3.17Å; I24-L70 HydrophobicContact CG2-CD2 4.44Å; R66-L70 WeakPolarHBondContact O-CB 3.42Å; R66-L70 VanDerWaalsContact O-CG 3.27Å; R66-L70 WeakPolarHBondContact O-CG 3.21Å; R66-L70 PolarHBondContact O-N 3.43Å; F67-L70 PolarHBondContact O-N 3.48Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.48Å; L70-F72 VanDerWaalsContact C-N 3.31Å; L70-F72 PolarHBondContact O-N 3.3Å; L70-K73 VanDerWaalsContact O-CB 3.28Å; L70-K73 WeakPolarHBondContact O-CB 3.35Å; L70-K73 PolarHBondContact O-N 3.38Å; L70-T147 HydrophobicContact CB-CG2 3.44Å; L70-T147 VanDerWaalsContact CB-CG2 3.44Å; L70-T147 HydrophobicContact CD1-CG2 4.32Å; L70-T147 WeakPolarHBondContact CD1-O 3.31Å; L70-L148 HydrophobicContact CD1-CD2 4.28Å
71Y84.6Confident73.6Confident69 Ų6946 Ų4627%0.27124%0.237SC..Hα-helixtrans-65.5-35.5179.1-175-100.3000111.8F67 K94 Y98 C143F67-Y71 HydrophobicContact CE1-CG 4.17Å; F67-Y71 AromaticContact CE2-CD2 3.97Å; F67-Y71 HydrophobicContact CE2-CD2 3.97Å; F67-Y71 HydrophobicContact CE2-CG 4.23Å; F67-Y71 HydrophobicContact CZ-CD1 4.45Å; F67-Y71 AromaticContact CZ-CD2 3.65Å; F67-Y71 HydrophobicContact CZ-CD2 3.65Å; F67-Y71 HydrophobicContact CZ-CE2 4.33Å; F67-Y71 AromaticContact CZ-CG 3.73Å; F67-Y71 HydrophobicContact CZ-CG 3.73Å; F67-Y71 WeakPolarHBondContact O-CA 3.28Å; F67-Y71 WeakPolarHBondContact O-CB 3.3Å; F67-Y71 PolarHBondContact O-N 3.49Å; Y71-K94 PolarHBondContact OH-NZ 3.23Å; Y71-Y98 HydrophobicContact CE1-CE2 4.01Å; Y71-Y98 HydrophobicContact CE2-CE2 4.49Å; Y71-Y98 AromaticContact CZ-CE2 3.96Å; Y71-Y98 AromaticContact CZ-CZ 3.87Å; Y71-Y98 PolarHBondContact OH-OH 3.48Å; Y71-C143 VanDerWaalsContact CE2-SG 3.58Å
72F77.4Confident71.3Confident17 Ų1750.7 Ų50.78%0.07527%0.266CS..THydrogen-bonded Turntrans-97.39.2176.7-61.3-51.6000114.1F34 L68 L70 D74 L75 W80F34-F72 HydrophobicContact CZ-CD2 4.34Å; L68-F72 HydrophobicContact CB-CD2 4.19Å; L68-F72 HydrophobicContact CB-CE2 4.29Å; L68-F72 HydrophobicContact CD2-CD2 4.46Å; L68-F72 HydrophobicContact CD2-CE2 3.79Å; L68-F72 VanDerWaalsContact O-CB 3.31Å; L68-F72 WeakPolarHBondContact O-CB 3.42Å; L68-F72 WeakPolarHBondContact O-CD2 3.14Å; L68-F72 WeakPolarHBondContact O-CG 3.44Å; L68-F72 PolarHBondContact O-N 3.38Å; L70-F72 VanDerWaalsContact C-N 3.31Å; L70-F72 PolarHBondContact O-N 3.3Å; F72-D74 PolarHBondContact O-N 3.18Å; F72-L75 HydrophobicContact CD1-CD1 3.49Å; F72-L75 VanDerWaalsContact CD1-CD1 3.49Å; F72-L75 HydrophobicContact CD1-CG 4.41Å; F72-L75 HydrophobicContact CE1-CD1 4.07Å; F72-L75 HydrophobicContact CG-CD1 4.39Å; F72-L75 PolarHBondContact O-N 2.54Å; F72-L75 VanDerWaalsContact O-O 3.09Å; F72-W80 HydrophobicContact CE1-CH2 4.17Å; F72-W80 HydrophobicContact CE1-CZ2 4.23Å; F72-W80 HydrophobicContact CZ-CH2 4.15Å; F72-W80 HydrophobicContact CZ-CZ3 4.14Å
73K69.5Low69.1Low118 Ų11853.8 Ų53.851%0.51328%0.283SS..THydrogen-bonded Turntrans-56.3-28.5-178.4-170.9-179.6175.6-170.90113L69 L70L69-K73 PolarHBondContact O-N 3.45Å; L69-K73 VanDerWaalsContact O-N 3.15Å; L70-K73 VanDerWaalsContact O-CB 3.28Å; L70-K73 WeakPolarHBondContact O-CB 3.35Å; L70-K73 PolarHBondContact O-N 3.38Å
74D56.6Low67.1Low154 Ų15455.3 Ų55.382%0.82429%0.29SS*.THydrogen-bonded Turntrans-87.9-7.1178.9-60-28.8000113.6F72F72-D74 PolarHBondContact O-N 3.18Å
75L53Low65Low77 Ų7761.3 Ų61.340%0.40332%0.321SS..SBendtrans-96.8132.1173.3-59.6-178.6000108.4F72 F77 W80F72-L75 HydrophobicContact CD1-CD1 3.49Å; F72-L75 VanDerWaalsContact CD1-CD1 3.49Å; F72-L75 HydrophobicContact CD1-CG 4.41Å; F72-L75 HydrophobicContact CE1-CD1 4.07Å; F72-L75 HydrophobicContact CG-CD1 4.39Å; F72-L75 PolarHBondContact O-N 2.54Å; F72-L75 VanDerWaalsContact O-O 3.09Å; L75-F77 PolarHBondContact O-N 3.34Å; L75-W80 HydrophobicContact CD1-CZ2 4.09Å
76S54Low62.9Low98 Ų9868.8 Ų68.869%0.68536%0.356SS*.  trans-51.5109176.249.20000110.2E78 G79S76-E78 PolarHBondContact O-N 3.5Å; S76-E78 VanDerWaalsContact O-N 3.12Å; S76-G79 PolarHBondContact O-N 2.7Å; S76-G79 VanDerWaalsContact O-N 3.12Å
77F54.2Low60.8Low47 Ų4769.1 Ų69.121%0.20636%0.359CS..THydrogen-bonded Turntrans-60.1-30.6-165.1-140.4-114.7000112.7Y30 L33 F34 L69 L75 G79 W80 I81Y30-F77 HydrophobicContact CD1-CE1 4.09Å; Y30-F77 HydrophobicContact CG-CE1 4.49Å; L33-F77 HydrophobicContact CD2-CD1 4.13Å; L33-F77 HydrophobicContact CD2-CE1 3.09Å; L33-F77 HydrophobicContact CD2-CZ 3.31Å; L33-F77 HydrophobicContact CG-CE1 4.43Å; F34-F77 HydrophobicContact CE2-CZ 4.37Å; F34-F77 HydrophobicContact CZ-CZ 4.3Å; L69-F77 HydrophobicContact CD1-CE1 3.92Å; L69-F77 HydrophobicContact CD1-CE2 3.54Å; L69-F77 HydrophobicContact CD1-CZ 3.13Å; L69-F77 HydrophobicContact CG-CZ 4.38Å; L75-F77 PolarHBondContact O-N 3.34Å; F77-G79 VanDerWaalsContact C-N 3.29Å; F77-G79 PolarHBondContact O-N 3.41Å; F77-W80 PolarHBondContact O-N 2.92Å; F77-I81 HydrophobicContact CD1-CD1 3.76Å; F77-I81 HydrophobicContact CD1-CG1 4.45Å; F77-I81 HydrophobicContact CE1-CD1 4.12Å; F77-I81 PolarHBondContact O-N 3.41Å
78E50.6Low58.6Low172 Ų17272.4 Ų72.480%0.80438%0.382SS*.Hα-helixtrans-62.4-31.4-179.7-65.6178.7168.300113.3S76 T82S76-E78 PolarHBondContact O-N 3.5Å; S76-E78 VanDerWaalsContact O-N 3.12Å; E78-T82 PolarHBondContact O-OG1 3.29Å
79G49.3Very low56.5Low33 Ų3379.4 Ų79.434%0.3442%0.419SS..Hα-helixtrans-79.9-19.1-177.800000114.4S76 F77 N83S76-G79 PolarHBondContact O-N 2.7Å; S76-G79 VanDerWaalsContact O-N 3.12Å; F77-G79 VanDerWaalsContact C-N 3.29Å; F77-G79 PolarHBondContact O-N 3.41Å; G79-N83 PolarHBondContact O-ND2 2.94Å
80W52.2Low55Low46 Ų4683.5 Ų83.517%0.17445%0.446CS..Hα-helixtrans-98.3-33.4-175.8-85.786.9000113.6F72 L75 F77 T82 N83 F84 K91F72-W80 HydrophobicContact CE1-CH2 4.17Å; F72-W80 HydrophobicContact CE1-CZ2 4.23Å; F72-W80 HydrophobicContact CZ-CH2 4.15Å; F72-W80 HydrophobicContact CZ-CZ3 4.14Å; L75-W80 HydrophobicContact CD1-CZ2 4.09Å; F77-W80 PolarHBondContact O-N 2.92Å; W80-T82 PolarHBondContact O-N 3.03Å; W80-N83 CarbonylContact O-C 3.22Å; W80-N83 PolarHBondContact O-N 3.27Å; W80-N83 VanDerWaalsContact O-N 3.07Å; W80-F84 PolarHBondContact O-N 2.84Å; W80-K91 HydrophobicContact CH2-CD 3.45Å; W80-K91 VanDerWaalsContact CH2-CD 3.45Å; W80-K91 HydrophobicContact CH2-CG 4.01Å; W80-K91 HydrophobicContact CZ2-CD 4.27Å; W80-K91 HydrophobicContact CZ3-CD 3.88Å
81I50.8Low54.4Low86 Ų8685.6 Ų85.644%0.44145%0.454SS..Hα-helixtrans-59.8-39.8179.2-65.5166.5000110.9L33 F77 N83L33-I81 HydrophobicContact CD1-CD1 3.73Å; L33-I81 HydrophobicContact CD1-CG1 3.95Å; L33-I81 HydrophobicContact CD1-CG2 4.47Å; L33-I81 HydrophobicContact CD2-CD1 4.04Å; L33-I81 HydrophobicContact CD2-CG1 3.9Å; L33-I81 HydrophobicContact CG-CD1 4.39Å; L33-I81 HydrophobicContact CG-CG1 4.22Å; F77-I81 HydrophobicContact CD1-CD1 3.76Å; F77-I81 HydrophobicContact CD1-CG1 4.45Å; F77-I81 HydrophobicContact CE1-CD1 4.12Å; F77-I81 PolarHBondContact O-N 3.41Å; I81-N83 VanDerWaalsContact C-N 3.32Å
82T46.7Very low54Low99 Ų9987.6 Ų87.661%0.60746%0.464SS*.THydrogen-bonded Turntrans-75.5-21178.7500000113.4E78 W80E78-T82 PolarHBondContact O-OG1 3.29Å; W80-T82 PolarHBondContact O-N 3.03Å
83N46.4Very low54.2Low66 Ų6690.2 Ų90.235%0.35348%0.475SS..THydrogen-bonded Turntrans-114.4-1.1-171.2-72.2-44.2000114.2G79 W80 I81 D85 Q86 S87G79-N83 PolarHBondContact O-ND2 2.94Å; W80-N83 CarbonylContact O-C 3.22Å; W80-N83 PolarHBondContact O-N 3.27Å; W80-N83 VanDerWaalsContact O-N 3.07Å; I81-N83 VanDerWaalsContact C-N 3.32Å; N83-D85 PolarHBondContact O-N 3.46Å; N83-Q86 CarbonylContact O-C 3.53Å; N83-Q86 PolarHBondContact O-N 3.2Å; N83-S87 WeakPolarHBondContact O-CB 3.1Å; N83-S87 PolarHBondContact O-N 2.96Å
84F51.1Low55.1Low34 Ų3489 Ų8915%0.14947%0.47CS..THydrogen-bonded Turntrans-58.4-39.9-176.9-164-90.8000111.1F34 I39 L68 W80 S87 I95F34-F84 AromaticContact CD1-CD2 3.88Å; F34-F84 HydrophobicContact CD1-CD2 3.88Å; F34-F84 AromaticContact CD1-CE2 3.77Å; F34-F84 HydrophobicContact CD1-CE2 3.77Å; F34-F84 HydrophobicContact CD1-CG 4.43Å; F34-F84 HydrophobicContact CD1-CZ 4.24Å; F34-F84 AromaticContact CE1-CD2 3.91Å; F34-F84 HydrophobicContact CE1-CD2 3.91Å; F34-F84 HydrophobicContact CE1-CE2 4.01Å; I39-F84 HydrophobicContact CD1-CE1 3.81Å; I39-F84 HydrophobicContact CD1-CZ 4.3Å; L68-F84 HydrophobicContact CD1-CE2 4.03Å; L68-F84 HydrophobicContact CD1-CZ 4Å; W80-F84 PolarHBondContact O-N 2.84Å; F84-S87 PolarHBondContact O-OG 2.81Å; F84-I95 HydrophobicContact CE2-CD1 3.87Å; F84-I95 HydrophobicContact CZ-CD1 3.84Å; F84-I95 HydrophobicContact CZ-CG2 4.25Å
85D49.2Very low56.5Low127 Ų12782.9 Ų82.968%0.67944%0.437SS*.THydrogen-bonded Turntrans-74.7-25.1173.3-79.4-24.5000114.1N83N83-D85 PolarHBondContact O-N 3.46Å
86Q44.3Very low58.3Low158 Ų15880.1 Ų80.174%0.73842%0.423SS*.THydrogen-bonded Turntrans-97.2-2.7-174-67.7-170-6.800114.6N83N83-Q86 CarbonylContact O-C 3.53Å; N83-Q86 PolarHBondContact O-N 3.2Å
87S44.5Very low60.2Low10 Ų1076.1 Ų76.17%0.0739%0.394CS..  trans-86.3135.9-16571.50000114.5N83 F84N83-S87 WeakPolarHBondContact O-CB 3.1Å; N83-S87 PolarHBondContact O-N 2.96Å; F84-S87 PolarHBondContact O-OG 2.81Å
88S44.2Very low62.1Low69 Ų6974.8 Ų74.848%0.48339%0.388SS..  trans-44.7150.8-17152.70000116P90 K91 K92S88-P90 VanDerWaalsContact C-N 3.27Å; S88-P90 WeakPolarHBondContact O-CD 3.46Å; S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 3.32Å; S88-K92 PolarHBondContact O-N 2.89Å
89L43.4Very low64.2Low149 Ų14966.9 Ų66.978%0.7835%0.351SS*.Hα-helixtrans-40.6-40.8-179.9-13888000115.6K91 K92 K93L89-K91 VanDerWaalsContact C-N 3.29Å; L89-K91 PolarHBondContact O-N 3.41Å; L89-K92 PolarHBondContact O-N 3.49Å; L89-K93 PolarHBondContact O-N 3.02Å; L89-K93 VanDerWaalsContact O-N 3.09Å
90P50.4Low66.3Low95 Ų9565.3 Ų65.362%0.61734%0.335SS*.Hα-helixtrans-61.9-34.7177.9-22.834.3000113.3S88 K94S88-P90 VanDerWaalsContact C-N 3.27Å; S88-P90 WeakPolarHBondContact O-CD 3.46Å; P90-K94 PolarHBondContact O-N 2.82Å
91K71.1Confident68.4Low73 Ų7363.1 Ų63.132%0.31733%0.327SS..Hα-helixtrans-71.2-42177.1-69.6173.5169-162.50110.7W80 S88 L89 K93 K94 I95W80-K91 HydrophobicContact CH2-CD 3.45Å; W80-K91 VanDerWaalsContact CH2-CD 3.45Å; W80-K91 HydrophobicContact CH2-CG 4.01Å; W80-K91 HydrophobicContact CZ2-CD 4.27Å; W80-K91 HydrophobicContact CZ3-CD 3.88Å; S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 3.32Å; L89-K91 VanDerWaalsContact C-N 3.29Å; L89-K91 PolarHBondContact O-N 3.41Å; K91-K93 PolarHBondContact O-N 3.11Å; K91-K94 PolarHBondContact O-N 3.18Å; K91-I95 WeakPolarHBondContact O-CB 3.47Å; K91-I95 WeakPolarHBondContact O-CD1 3.25Å; K91-I95 WeakPolarHBondContact O-CG1 3.49Å; K91-I95 PolarHBondContact O-N 2.87Å
92K74.2Confident70.6Confident111 Ų11159 Ų5948%0.48331%0.306SS..Hα-helixtrans-59.5-47.2176.7-67.6-170.6177.4-174.20112.2S88 L89 K94 I95 V96S88-K92 PolarHBondContact O-N 2.89Å; L89-K92 PolarHBondContact O-N 3.49Å; K92-K94 VanDerWaalsContact C-N 3.33Å; K92-K94 PolarHBondContact O-N 3.1Å; K92-I95 PolarHBondContact O-N 3.38Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 2.98Å
93K83.3Confident72.9Confident73 Ų7354.4 Ų54.432%0.31728%0.277SS..Hα-helixtrans-56.7-46.8176.6178.3171.1-175.2-1680111.1L89 K91 V96 L97 P131 F132L89-K93 PolarHBondContact O-N 3.02Å; L89-K93 VanDerWaalsContact O-N 3.09Å; K91-K93 PolarHBondContact O-N 3.11Å; K93-V96 PolarHBondContact O-N 2.96Å; K93-L97 PolarHBondContact O-N 2.97Å; K93-L97 VanDerWaalsContact O-N 3.11Å; K93-P131 WeakPolarHBondContact CE-O 3.31Å; K93-P131 PolarHBondContact NZ-O 3.45Å; K93-F132 HydrophobicContact CD-CE1 4.28Å; K93-F132 HydrophobicContact CD-CZ 3.94Å; K93-F132 VanDerWaalsContact CE-CE1 3.44Å; K93-F132 HydrophobicContact CG-CE1 4.04Å; K93-F132 HydrophobicContact CG-CE2 3.88Å; K93-F132 HydrophobicContact CG-CZ 3.29Å; K93-F132 WeakPolarHBondContact O-CZ 3.41Å
94K87.2Confident75.2Confident93 Ų9351.2 Ų51.240%0.40426%0.26SS..Hα-helixtrans-67-37.4179.2-161.9-179.7-171-169.80113.3Y71 P90 K91 K92 L97 Y98Y71-K94 PolarHBondContact OH-NZ 3.23Å; P90-K94 PolarHBondContact O-N 2.82Å; K91-K94 PolarHBondContact O-N 3.18Å; K92-K94 VanDerWaalsContact C-N 3.33Å; K92-K94 PolarHBondContact O-N 3.1Å; K94-L97 WeakPolarHBondContact O-CB 3.32Å; K94-L97 PolarHBondContact O-N 3.46Å; K94-Y98 HydrophobicContact CD-CE2 3.9Å; K94-Y98 WeakPolarHBondContact CE-OH 3.15Å; K94-Y98 HydrophobicContact CG-CD2 4.06Å; K94-Y98 HydrophobicContact CG-CE2 3.63Å; K94-Y98 VanDerWaalsContact O-CD2 3.26Å; K94-Y98 WeakPolarHBondContact O-CD2 3.29Å; K94-Y98 PolarHBondContact O-N 2.88Å
95I86.8Confident77.3Confident24 Ų2449.8 Ų49.812%0.12325%0.254CS..Hα-helixtrans-61.9-44.1175.4-72.3166.6000110.4F64 F84 K91 K92 L97 Y98 L99F64-I95 HydrophobicContact CZ-CG2 3.87Å; F84-I95 HydrophobicContact CE2-CD1 3.87Å; F84-I95 HydrophobicContact CZ-CD1 3.84Å; F84-I95 HydrophobicContact CZ-CG2 4.25Å; K91-I95 WeakPolarHBondContact O-CB 3.47Å; K91-I95 WeakPolarHBondContact O-CD1 3.25Å; K91-I95 WeakPolarHBondContact O-CG1 3.49Å; K91-I95 PolarHBondContact O-N 2.87Å; K92-I95 PolarHBondContact O-N 3.38Å; I95-L97 PolarHBondContact O-N 3.43Å; I95-Y98 PolarHBondContact O-N 2.77Å; I95-L99 WeakPolarHBondContact O-CB 3.4Å; I95-L99 PolarHBondContact O-N 2.9Å
96V89.7Confident79.5Confident20 Ų2043.7 Ų43.712%0.12122%0.222CC..Hα-helixtrans-63.1-41.2176.2174.80000111.6F42 K92 K93 Y98 L99 I100F42-V96 HydrophobicContact CZ-CG1 4.43Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 2.98Å; K93-V96 PolarHBondContact O-N 2.96Å; V96-Y98 PolarHBondContact O-N 3.27Å; V96-L99 PolarHBondContact O-N 3.18Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 HydrophobicContact CG1-CG1 4.42Å; V96-I100 WeakPolarHBondContact O-CG1 3.38Å; V96-I100 PolarHBondContact O-N 2.95Å
97L93.9Very high81.9Confident13 Ų1336.3 Ų36.37%0.06819%0.187CC..Hα-helixtrans-54.9-52.9173.2172.759.7000111.3K93 K94 I95 L99 I100 T101 M125 F132 I137 A140K93-L97 PolarHBondContact O-N 2.97Å; K93-L97 VanDerWaalsContact O-N 3.11Å; K94-L97 WeakPolarHBondContact O-CB 3.32Å; K94-L97 PolarHBondContact O-N 3.46Å; I95-L97 PolarHBondContact O-N 3.43Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.43Å; L97-I100 PolarHBondContact O-N 3.34Å; L97-T101 VanDerWaalsContact O-CB 3.26Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 3.42Å; L97-M125 HydrophobicContact CD1-CE 3.54Å; L97-M125 HydrophobicContact CD1-SD 4.04Å; L97-F132 HydrophobicContact CB-CD2 4.42Å; L97-F132 HydrophobicContact CB-CE1 4.04Å; L97-F132 HydrophobicContact CB-CE2 3.75Å; L97-F132 HydrophobicContact CB-CZ 3.5Å; L97-F132 VanDerWaalsContact CB-CZ 3.5Å; L97-F132 HydrophobicContact CD1-CD1 4.34Å; L97-F132 HydrophobicContact CD1-CD2 4.3Å; L97-F132 HydrophobicContact CD1-CE1 4.49Å; L97-F132 HydrophobicContact CD1-CE2 4.46Å; L97-F132 HydrophobicContact CD1-CG 4.21Å; L97-F132 HydrophobicContact CD2-CD1 4.02Å; L97-F132 HydrophobicContact CD2-CE1 3.65Å; L97-F132 HydrophobicContact CD2-CZ 4.03Å; L97-F132 HydrophobicContact CG-CE1 4.28Å; L97-F132 HydrophobicContact CG-CZ 4.21Å; L97-I137 HydrophobicContact CD1-CG1 4.13Å; L97-A140 HydrophobicContact CD1-CB 3.92Å; L97-A140 HydrophobicContact CD2-CB 3.95Å; L97-A140 HydrophobicContact CG-CB 3.76Å
98Y94.4Very high84.2Confident19 Ų1940.1 Ų40.18%0.07520%0.203CC..Hα-helixtrans-64.3-37.3179.6-72.4-52.1000112.7F67 Y71 K94 I95 V96 T101 V102 A140 C143 V144F67-Y98 HydrophobicContact CD1-CG 4.47Å; F67-Y98 AromaticContact CE1-CD1 3.63Å; F67-Y98 HydrophobicContact CE1-CD1 3.63Å; F67-Y98 AromaticContact CE1-CD2 3.78Å; F67-Y98 HydrophobicContact CE1-CD2 3.78Å; F67-Y98 HydrophobicContact CE1-CE1 4.24Å; F67-Y98 HydrophobicContact CE1-CE2 4.33Å; F67-Y98 AromaticContact CE1-CG 3.4Å; F67-Y98 HydrophobicContact CE1-CG 3.4Å; F67-Y98 HydrophobicContact CE2-CD1 4.48Å; F67-Y98 AromaticContact CZ-CD1 3.45Å; F67-Y98 HydrophobicContact CZ-CD1 3.45Å; F67-Y98 VanDerWaalsContact CZ-CD1 3.45Å; F67-Y98 HydrophobicContact CZ-CD2 4.14Å; F67-Y98 AromaticContact CZ-CE1 3.68Å; F67-Y98 HydrophobicContact CZ-CE1 3.68Å; F67-Y98 HydrophobicContact CZ-CE2 4.29Å; F67-Y98 AromaticContact CZ-CG 3.73Å; F67-Y98 HydrophobicContact CZ-CG 3.73Å; Y71-Y98 HydrophobicContact CE1-CE2 4.01Å; Y71-Y98 HydrophobicContact CE2-CE2 4.49Å; Y71-Y98 AromaticContact CZ-CE2 3.96Å; Y71-Y98 AromaticContact CZ-CZ 3.87Å; Y71-Y98 PolarHBondContact OH-OH 3.48Å; K94-Y98 HydrophobicContact CD-CE2 3.9Å; K94-Y98 WeakPolarHBondContact CE-OH 3.15Å; K94-Y98 HydrophobicContact CG-CD2 4.06Å; K94-Y98 HydrophobicContact CG-CE2 3.63Å; K94-Y98 VanDerWaalsContact O-CD2 3.26Å; K94-Y98 WeakPolarHBondContact O-CD2 3.29Å; K94-Y98 PolarHBondContact O-N 2.88Å; I95-Y98 PolarHBondContact O-N 2.77Å; V96-Y98 PolarHBondContact O-N 3.27Å; Y98-T101 WeakPolarHBondContact O-CB 3.42Å; Y98-T101 PolarHBondContact O-N 3.32Å; Y98-V102 WeakPolarHBondContact O-CG2 3.42Å; Y98-V102 PolarHBondContact O-N 3.02Å; Y98-A140 HydrophobicContact CD1-CB 4.26Å; Y98-A140 HydrophobicContact CE1-CB 4.16Å; Y98-C143 HydrophobicContact CE1-CB 4.36Å; Y98-V144 HydrophobicContact CD1-CG2 4.09Å
99L94.6Very high86.4Confident7 Ų740 Ų404%0.03720%0.196CC..Hα-helixtrans-63.3-48.5179-176.753.2000112.2F42 V43 T60 F64 I95 V96 L97 T101 V102 L103F42-L99 HydrophobicContact CD1-CD2 3.39Å; F42-L99 HydrophobicContact CD1-CG 4.42Å; F42-L99 HydrophobicContact CE1-CD2 3.56Å; F42-L99 HydrophobicContact CE1-CG 4.3Å; V43-L99 HydrophobicContact CG2-CD1 3.67Å; V43-L99 HydrophobicContact CG2-CD2 4.06Å; V43-L99 HydrophobicContact CG2-CG 4.22Å; T60-L99 HydrophobicContact CG2-CD1 4.24Å; F64-L99 HydrophobicContact CB-CD1 3.98Å; F64-L99 HydrophobicContact CD1-CD1 3.66Å; F64-L99 HydrophobicContact CD2-CB 4.2Å; F64-L99 HydrophobicContact CD2-CD1 3.73Å; F64-L99 HydrophobicContact CE1-CB 4.46Å; F64-L99 HydrophobicContact CE1-CD1 3.96Å; F64-L99 HydrophobicContact CE1-CD2 4.48Å; F64-L99 HydrophobicContact CE2-CB 3.75Å; F64-L99 HydrophobicContact CE2-CD1 4.05Å; F64-L99 HydrophobicContact CE2-CG 4.49Å; F64-L99 HydrophobicContact CG-CD1 3.52Å; F64-L99 HydrophobicContact CZ-CB 3.88Å; F64-L99 HydrophobicContact CZ-CD1 4.13Å; F64-L99 HydrophobicContact CZ-CG 4.44Å; I95-L99 WeakPolarHBondContact O-CB 3.4Å; I95-L99 PolarHBondContact O-N 2.9Å; V96-L99 PolarHBondContact O-N 3.18Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.43Å; L99-T101 PolarHBondContact O-N 3.47Å; L99-V102 PolarHBondContact O-N 3.42Å; L99-L103 PolarHBondContact O-N 3.09Å
100I94.5Very high88.6Confident0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-65.3-35.1177.1-64.1167.5000110.5L46 V96 L97 L103 Q104 L116 A121 V124 M125 L128L46-I100 HydrophobicContact CD2-CG1 3.95Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 HydrophobicContact CG1-CG1 4.42Å; V96-I100 WeakPolarHBondContact O-CG1 3.38Å; V96-I100 PolarHBondContact O-N 2.95Å; L97-I100 PolarHBondContact O-N 3.34Å; I100-L103 WeakPolarHBondContact O-CB 3.28Å; I100-L103 PolarHBondContact O-N 2.91Å; I100-Q104 PolarHBondContact O-N 3.43Å; I100-L116 HydrophobicContact CG2-CD2 4.12Å; I100-A121 HydrophobicContact CG2-CB 3.95Å; I100-V124 HydrophobicContact CD1-CG1 4.26Å; I100-M125 HydrophobicContact CB-CE 3.56Å; I100-M125 HydrophobicContact CD1-CE 3.87Å; I100-M125 HydrophobicContact CD1-CG 3.37Å; I100-M125 HydrophobicContact CD1-SD 4.48Å; I100-M125 HydrophobicContact CG1-CE 4.31Å; I100-M125 HydrophobicContact CG2-CE 3.57Å; I100-L128 HydrophobicContact CD1-CD1 3.96Å
101T96.2Very high90.4Very high0 Ų034.9 Ų34.90%016%0.16CC..Hα-helixtrans-67.8-41176.7-59.20000112.1L97 Y98 L99 L103 Q104 V105 A140 E141 V144L97-T101 VanDerWaalsContact O-CB 3.26Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 3.42Å; Y98-T101 WeakPolarHBondContact O-CB 3.42Å; Y98-T101 PolarHBondContact O-N 3.32Å; L99-T101 PolarHBondContact O-N 3.47Å; T101-L103 VanDerWaalsContact C-N 3.31Å; T101-L103 PolarHBondContact O-N 2.96Å; T101-Q104 WeakPolarHBondContact O-CB 3.22Å; T101-Q104 PolarHBondContact O-N 2.63Å; T101-V105 WeakPolarHBondContact O-CG2 3.44Å; T101-V105 PolarHBondContact O-N 3.26Å; T101-A140 HydrophobicContact CG2-CB 4.13Å; T101-E141 HydrophobicContact CG2-CB 3.74Å; T101-E141 HydrophobicContact CG2-CG 4.44Å; T101-E141 VanDerWaalsContact CG2-N 3.29Å; T101-V144 HydrophobicContact CG2-CB 4.18Å; T101-V144 HydrophobicContact CG2-CG2 3.74Å
102V96.2Very high90.9Very high0 Ų041.4 Ų41.40%018%0.183CC..Hα-helixtrans-61.2-43.4172.2168.70000110.1T60 M63 F64 F67 Y98 L99 Q104 V105 V106 V144T60-V102 HydrophobicContact CG2-CG1 4.19Å; M63-V102 HydrophobicContact CB-CG1 3.65Å; F64-V102 HydrophobicContact CB-CG1 4.15Å; F64-V102 HydrophobicContact CD2-CB 4.43Å; F64-V102 HydrophobicContact CD2-CG2 4.07Å; F67-V102 HydrophobicContact CB-CG2 4.18Å; F67-V102 HydrophobicContact CD1-CG2 4.44Å; F67-V102 HydrophobicContact CG-CG2 4.26Å; Y98-V102 WeakPolarHBondContact O-CG2 3.42Å; Y98-V102 PolarHBondContact O-N 3.02Å; L99-V102 PolarHBondContact O-N 3.42Å; V102-Q104 VanDerWaalsContact C-N 3.32Å; V102-Q104 PolarHBondContact O-N 3.49Å; V102-V105 PolarHBondContact O-N 3.39Å; V102-V106 HydrophobicContact CG1-CG2 4.18Å; V102-V106 WeakPolarHBondContact O-CG2 3.05Å; V102-V106 PolarHBondContact O-N 3.4Å; V102-V144 HydrophobicContact CG2-CG1 3.71Å; V102-V144 HydrophobicContact CG2-CG2 3.97Å
103L95.6Very high91.3Very high1 Ų144.7 Ų44.71%0.00520%0.199CC..Hα-helixtrans-59.5-42.7173.8178.659000111.8L46 L50 V56 T60 L99 I100 T101 V105 V106 T107 L116L46-L103 HydrophobicContact CD2-CD2 3.44Å; L46-L103 VanDerWaalsContact CD2-CD2 3.44Å; L46-L103 HydrophobicContact CG-CD2 3.65Å; L50-L103 HydrophobicContact CD1-CD2 3.64Å; L50-L103 HydrophobicContact CD1-CG 4.49Å; V56-L103 HydrophobicContact CG1-CD1 3.39Å; T60-L103 HydrophobicContact CG2-CB 3.9Å; T60-L103 HydrophobicContact CG2-CD1 4.25Å; T60-L103 VanDerWaalsContact OG1-CD1 3.25Å; T60-L103 WeakPolarHBondContact OG1-CD1 3.47Å; L99-L103 PolarHBondContact O-N 3.09Å; I100-L103 WeakPolarHBondContact O-CB 3.28Å; I100-L103 PolarHBondContact O-N 2.91Å; T101-L103 VanDerWaalsContact C-N 3.31Å; T101-L103 PolarHBondContact O-N 2.96Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-V106 PolarHBondContact O-N 2.99Å; L103-T107 HydrophobicContact CD1-CG2 4.2Å; L103-T107 WeakPolarHBondContact O-CG2 3.44Å; L103-T107 PolarHBondContact O-N 3.4Å; L103-T107 PolarHBondContact O-OG1 3.37Å; L103-L116 HydrophobicContact CD2-CD2 4.45Å; L103-L116 HydrophobicContact CG-CD2 4.34Å
104Q95Very high91.4Very high0 Ų046 Ų460%021%0.205CC..Hα-helixtrans-57.7-48.2173.9167.9165.1-17.800111.5I100 T101 V102 V106 T107 K108 L116 T118 E141I100-Q104 PolarHBondContact O-N 3.43Å; T101-Q104 WeakPolarHBondContact O-CB 3.22Å; T101-Q104 PolarHBondContact O-N 2.63Å; V102-Q104 VanDerWaalsContact C-N 3.32Å; V102-Q104 PolarHBondContact O-N 3.49Å; Q104-V106 PolarHBondContact O-N 3.15Å; Q104-T107 PolarHBondContact O-N 2.76Å; Q104-T107 PolarHBondContact O-OG1 2.67Å; Q104-K108 WeakPolarHBondContact O-CG 3.09Å; Q104-K108 PolarHBondContact O-N 3.2Å; Q104-L116 HydrophobicContact CB-CB 4.41Å; Q104-L116 HydrophobicContact CB-CD2 4.13Å; Q104-L116 HydrophobicContact CB-CG 4.43Å; Q104-L116 VanDerWaalsContact CG-O 3.3Å; Q104-L116 WeakPolarHBondContact CG-O 3.27Å; Q104-T118 PolarHBondContact NE2-OG1 3.26Å; Q104-E141 WeakPolarHBondContact CG-OE1 3.4Å; Q104-E141 VanDerWaalsContact NE2-CD 3.27Å; Q104-E141 PolarHBondContact NE2-OE1 2.88Å; Q104-E141 PolarHBondContact NE2-OE2 2.95Å
105V95.2Very high91.5Very high3 Ų344.8 Ų44.82%0.01820%0.202CC..Hα-helixtrans-59.8-46175.2170.90000111.3T101 V102 L103 T107 K108 L109 E141 V144 L145 L152T101-V105 WeakPolarHBondContact O-CG2 3.44Å; T101-V105 PolarHBondContact O-N 3.26Å; V102-V105 PolarHBondContact O-N 3.39Å; L103-V105 PolarHBondContact O-N 3.37Å; V105-T107 PolarHBondContact O-N 3.16Å; V105-K108 WeakPolarHBondContact O-CB 3.25Å; V105-K108 PolarHBondContact O-N 2.9Å; V105-K108 VanDerWaalsContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 3.85Å; V105-L109 HydrophobicContact CG1-CG 4.4Å; V105-L109 WeakPolarHBondContact O-CG 3.02Å; V105-L109 PolarHBondContact O-N 2.87Å; V105-E141 HydrophobicContact CG2-CG 4.11Å; V105-V144 HydrophobicContact CB-CG1 4.43Å; V105-V144 HydrophobicContact CG2-CG1 3.95Å; V105-L145 HydrophobicContact CG1-CD2 3.77Å; V105-L145 HydrophobicContact CG2-CD2 3.95Å; V105-L145 HydrophobicContact CG2-CG 4.05Å; V105-L152 HydrophobicContact CG1-CD2 4.2Å
106V94.9Very high91.8Very high0 Ų044 Ų440%020%0.198CC..Hα-helixtrans-60.6-45.2179173.80000111.4V56 K59 M63 V102 L103 Q104 K108 L109 I110V56-V106 HydrophobicContact CB-CG1 4.48Å; V56-V106 HydrophobicContact CG1-CG1 4Å; K59-V106 HydrophobicContact CB-CG1 3.84Å; K59-V106 HydrophobicContact CG-CG1 4.07Å; K59-V106 HydrophobicContact CG-CG2 4.48Å; M63-V106 HydrophobicContact CB-CG2 4.28Å; M63-V106 HydrophobicContact CG-CG2 4.31Å; M63-V106 HydrophobicContact SD-CG2 3.37Å; M63-V106 WeakPolarHBondContact SD-CG2 3.21Å; V102-V106 HydrophobicContact CG1-CG2 4.18Å; V102-V106 WeakPolarHBondContact O-CG2 3.05Å; V102-V106 PolarHBondContact O-N 3.4Å; L103-V106 PolarHBondContact O-N 2.99Å; Q104-V106 PolarHBondContact O-N 3.15Å; V106-K108 PolarHBondContact O-N 3.16Å; V106-L109 PolarHBondContact O-N 3.46Å; V106-I110 HydrophobicContact CG1-CD1 4.03Å; V106-I110 HydrophobicContact CG1-CG1 4.07Å; V106-I110 PolarHBondContact O-N 3.12Å
107T94.5Very high92Very high3 Ų349.5 Ų49.52%0.01822%0.221CC..Hα-helixtrans-61.4-34.7178.161.60000112.1V56 L103 Q104 V105 Y111 L116V56-T107 HydrophobicContact CG1-CG2 3.86Å; L103-T107 HydrophobicContact CD1-CG2 4.2Å; L103-T107 WeakPolarHBondContact O-CG2 3.44Å; L103-T107 PolarHBondContact O-N 3.4Å; L103-T107 PolarHBondContact O-OG1 3.37Å; Q104-T107 PolarHBondContact O-N 2.76Å; Q104-T107 PolarHBondContact O-OG1 2.67Å; V105-T107 PolarHBondContact O-N 3.16Å; T107-Y111 CarbonylContact O-C 3.52Å; T107-Y111 WeakPolarHBondContact O-CA 3.26Å; T107-Y111 PolarHBondContact O-N 3.03Å; T107-L116 HydrophobicContact CG2-CB 4.32Å; T107-L116 PolarHBondContact OG1-N 3.46Å
108K92.8Very high92Very high89 Ų8950.2 Ų50.239%0.38723%0.225SC..Hα-helixtrans-67-35172.9-68.3175.3178.3-176.50112.6Q104 V105 V106 I115 E141Q104-K108 WeakPolarHBondContact O-CG 3.09Å; Q104-K108 PolarHBondContact O-N 3.2Å; V105-K108 WeakPolarHBondContact O-CB 3.25Å; V105-K108 PolarHBondContact O-N 2.9Å; V105-K108 VanDerWaalsContact O-N 3.16Å; V106-K108 PolarHBondContact O-N 3.16Å; K108-I115 HydrophobicContact CD-CG2 4.38Å; K108-I115 HydrophobicContact CG-CG2 3.45Å; K108-I115 VanDerWaalsContact CG-CG2 3.45Å; K108-E141 WeakPolarHBondContact CE-OE1 3.3Å; K108-E141 IonicContact NZ-OE1 2.62Å; K108-E141 PolarHBondContact NZ-OE1 3.37Å; K108-E141 IonicContact NZ-OE2 2.71Å; K108-E141 PolarHBondContact NZ-OE2 3.41Å
109L91Very high91.9Very high67 Ų6751.5 Ų51.535%0.35124%0.237SC..Hα-helixtrans-74.8-47.6-177.5-69.4168.8000112.7M63 V105 V106 L152M63-L109 HydrophobicContact CE-CD1 3.57Å; M63-L109 HydrophobicContact SD-CD1 3.99Å; V105-L109 HydrophobicContact CG1-CD1 3.85Å; V105-L109 HydrophobicContact CG1-CG 4.4Å; V105-L109 WeakPolarHBondContact O-CG 3.02Å; V105-L109 PolarHBondContact O-N 2.87Å; V106-L109 PolarHBondContact O-N 3.46Å; L109-L152 HydrophobicContact CD1-CD2 3.92Å
110I90.1Very high91.8Very high81 Ų8153.5 Ų53.542%0.41525%0.248SC..Hα-helixtrans-122-13.4-16868171.9000114.9V56 K59 V106V56-I110 HydrophobicContact CG2-CD1 4.21Å; V56-I110 HydrophobicContact CG2-CG1 4.16Å; K59-I110 HydrophobicContact CB-CD1 3.94Å; K59-I110 HydrophobicContact CD-CD1 4.5Å; K59-I110 HydrophobicContact CG-CD1 4.27Å; V106-I110 HydrophobicContact CG1-CD1 4.03Å; V106-I110 HydrophobicContact CG1-CG1 4.07Å; V106-I110 PolarHBondContact O-N 3.12Å
111Y87Confident91.8Very high55 Ų5553.5 Ų53.522%0.21625%0.248CC..  trans-122.763.3-174.2-164.3-134.3000113.2N51 A52 P53 V56 T107 H113 K114N51-Y111 PolarHBondContact O-OH 3Å; A52-Y111 HydrophobicContact CB-CE1 4.43Å; P53-Y111 VanDerWaalsContact CD-CZ 3.48Å; P53-Y111 HydrophobicContact CG-CD2 3.94Å; P53-Y111 HydrophobicContact CG-CE2 3.86Å; P53-Y111 HydrophobicContact CG-CG 4.43Å; V56-Y111 HydrophobicContact CG2-CD1 4.33Å; V56-Y111 HydrophobicContact CG2-CG 4.04Å; T107-Y111 CarbonylContact O-C 3.52Å; T107-Y111 WeakPolarHBondContact O-CA 3.26Å; T107-Y111 PolarHBondContact O-N 3.03Å; Y111-H113 PolarHBondContact O-N 2.83Å; Y111-K114 HydrophobicContact CD1-CB 4.01Å; Y111-K114 WeakPolarHBondContact CD1-O 3.36Å; Y111-K114 HydrophobicContact CE1-CB 3.56Å; Y111-K114 HydrophobicContact CE1-CD 4.47Å; Y111-K114 CarbonylContact O-C 3.45Å; Y111-K114 PolarHBondContact O-N 2.95Å; Y111-K114 VanDerWaalsContact O-N 3.12Å
112R82.5Confident91.7Very high211 Ų21156.2 Ų56.280%0.79626%0.261SS*.THydrogen-bonded Turntrans-55.7-26.3-174.8-65-177.1-179.7170.70.4114.6
113H82Confident91.5Very high179 Ų17963.3 Ų63.383%0.82929%0.287SS*.THydrogen-bonded Turntrans-72.3-27-178.2-60.7-63000113.5Y111Y111-H113 PolarHBondContact O-N 2.83Å
114K85.1Confident91.3Very high101 Ų10163.9 Ų63.944%0.43929%0.291SS..SBendtrans-150.776.9-177.5-165.8-178.1-173.1-178.50111L50 Y111L50-K114 WeakPolarHBondContact O-CE 3.48Å; L50-K114 PolarHBondContact O-NZ 2.8Å; Y111-K114 HydrophobicContact CD1-CB 4.01Å; Y111-K114 WeakPolarHBondContact CD1-O 3.36Å; Y111-K114 HydrophobicContact CE1-CB 3.56Å; Y111-K114 HydrophobicContact CE1-CD 4.47Å; Y111-K114 CarbonylContact O-C 3.45Å; Y111-K114 PolarHBondContact O-N 2.95Å; Y111-K114 VanDerWaalsContact O-N 3.12Å
115I90.3Very high91.1Very high67 Ų6763.9 Ų63.934%0.34429%0.291SS..  trans-69.7132174.1-62.9173.1000109.5K108 K117K108-I115 HydrophobicContact CD-CG2 4.38Å; K108-I115 HydrophobicContact CG-CG2 3.45Å; K108-I115 VanDerWaalsContact CG-CG2 3.45Å; I115-K117 PolarHBondContact O-N 2.85Å; I115-K117 VanDerWaalsContact O-N 3.16Å
116L92Very high91Very high9 Ų969.2 Ų69.25%0.04732%0.318CS..  trans-71.7105.2170.1-177.966.3000108.7L50 I100 L103 Q104 T107 D120 A121L50-L116 HydrophobicContact CD1-CD1 4.05Å; L50-L116 HydrophobicContact CD1-CD2 4.1Å; L50-L116 HydrophobicContact CD2-CD1 3.86Å; I100-L116 HydrophobicContact CG2-CD2 4.12Å; L103-L116 HydrophobicContact CD2-CD2 4.45Å; L103-L116 HydrophobicContact CG-CD2 4.34Å; Q104-L116 HydrophobicContact CB-CB 4.41Å; Q104-L116 HydrophobicContact CB-CD2 4.13Å; Q104-L116 HydrophobicContact CB-CG 4.43Å; Q104-L116 VanDerWaalsContact CG-O 3.3Å; Q104-L116 WeakPolarHBondContact CG-O 3.27Å; T107-L116 HydrophobicContact CG2-CB 4.32Å; T107-L116 PolarHBondContact OG1-N 3.46Å; L116-D120 HydrophobicContact CD1-CB 3.67Å; L116-A121 HydrophobicContact CD2-CB 4.31Å; L116-A121 HydrophobicContact CG-CB 4.3Å
117K93.2Very high90.8Very high135 Ų13576.6 Ų76.659%0.58735%0.351SS*.  trans-75.6156.6177.8-60.6177.8-180177.50110.1I115 S119 D120 A121I115-K117 PolarHBondContact O-N 2.85Å; I115-K117 VanDerWaalsContact O-N 3.16Å; K117-S119 PolarHBondContact O-N 3.02Å; K117-S119 VanDerWaalsContact O-N 3.15Å; K117-D120 WeakPolarHBondContact CB-OD2 3.25Å; K117-D120 WeakPolarHBondContact O-CA 3.25Å; K117-D120 WeakPolarHBondContact O-CB 3.35Å; K117-D120 PolarHBondContact O-N 2.75Å; K117-A121 PolarHBondContact O-N 3.3Å
118T94.8Very high90.5Very high28 Ų2879.4 Ų79.417%0.17237%0.365CS..Hα-helixtrans-52-38.9175.2-51.30000112.9Q104 D120 A121 E122 K134 I137 I138Q104-T118 PolarHBondContact NE2-OG1 3.26Å; T118-D120 VanDerWaalsContact C-N 3.31Å; T118-D120 PolarHBondContact O-N 2.98Å; T118-A121 PolarHBondContact O-N 3.21Å; T118-E122 WeakPolarHBondContact O-CB 3.43Å; T118-E122 PolarHBondContact O-N 3.14Å; T118-K134 HydrophobicContact CG2-CB 4.18Å; T118-K134 HydrophobicContact CG2-CG 4.38Å; T118-I137 HydrophobicContact CG2-CB 3.96Å; T118-I137 HydrophobicContact CG2-CG2 3.84Å; T118-I138 HydrophobicContact CG2-CD1 4.42Å; T118-I138 HydrophobicContact CG2-CG1 3.96Å
119S93.1Very high90.3Very high46 Ų4677.9 Ų77.932%0.32237%0.374SS..Hα-helixtrans-66.6-31.4175.854.50000113.7K117 R123K117-S119 PolarHBondContact O-N 3.02Å; K117-S119 VanDerWaalsContact O-N 3.15Å; S119-R123 PolarHBondContact O-N 3.49Å
120D92.2Very high90.2Very high49 Ų4977.5 Ų77.526%0.26237%0.371SS..Hα-helixtrans-78.9-39.9177.7-60.8-40.3000110L116 K117 T118 E122 R123 V124L116-D120 HydrophobicContact CD1-CB 3.67Å; K117-D120 WeakPolarHBondContact CB-OD2 3.25Å; K117-D120 WeakPolarHBondContact O-CA 3.25Å; K117-D120 WeakPolarHBondContact O-CB 3.35Å; K117-D120 PolarHBondContact O-N 2.75Å; T118-D120 VanDerWaalsContact C-N 3.31Å; T118-D120 PolarHBondContact O-N 2.98Å; D120-E122 PolarHBondContact O-N 2.84Å; D120-R123 PolarHBondContact O-N 2.71Å; D120-V124 WeakPolarHBondContact O-CB 3.43Å; D120-V124 VanDerWaalsContact O-CG2 3.24Å; D120-V124 WeakPolarHBondContact O-CG2 3.36Å; D120-V124 PolarHBondContact O-N 2.76Å
121A93.4Very high90.2Very high0 Ų077.2 Ų77.20%037%0.374CS..Hα-helixtrans-58.2-45.6171.400000111.6I100 L116 K117 T118 R123 V124 M125 I137I100-A121 HydrophobicContact CG2-CB 3.95Å; L116-A121 HydrophobicContact CD2-CB 4.31Å; L116-A121 HydrophobicContact CG-CB 4.3Å; K117-A121 PolarHBondContact O-N 3.3Å; T118-A121 PolarHBondContact O-N 3.21Å; A121-R123 PolarHBondContact O-N 3.22Å; A121-V124 PolarHBondContact O-N 3.18Å; A121-M125 WeakPolarHBondContact O-CB 3.45Å; A121-M125 VanDerWaalsContact O-CG 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.14Å; A121-I137 HydrophobicContact CB-CD1 4.37Å; A121-I137 HydrophobicContact CB-CG2 4.25Å
122E94.3Very high90.5Very high57 Ų5775.4 Ų75.427%0.26637%0.368SS..Hα-helixtrans-56.8-46.5174.1179.2178.4-142.700111.7T118 D120 V124 M125 L126 K134 I137T118-E122 WeakPolarHBondContact O-CB 3.43Å; T118-E122 PolarHBondContact O-N 3.14Å; D120-E122 PolarHBondContact O-N 2.84Å; E122-V124 PolarHBondContact O-N 2.94Å; E122-M125 PolarHBondContact O-N 3.03Å; E122-L126 WeakPolarHBondContact O-CB 3.21Å; E122-L126 PolarHBondContact O-N 3.38Å; E122-K134 WeakPolarHBondContact OE2-CE 3.37Å; E122-K134 VanDerWaalsContact OE2-CG 3.29Å; E122-K134 WeakPolarHBondContact OE2-CG 3.17Å; E122-I137 HydrophobicContact CB-CD1 3.71Å
123R92.7Very high91Very high149 Ų14972.7 Ų72.756%0.56236%0.362SS*.Hα-helixtrans-63.9-40.6177.8-172.2-174.4-57.7170.53.9112.2S119 D120 A121 K127S119-R123 PolarHBondContact O-N 3.49Å; D120-R123 PolarHBondContact O-N 2.71Å; A121-R123 PolarHBondContact O-N 3.22Å; R123-K127 WeakPolarHBondContact O-CG 3.44Å; R123-K127 PolarHBondContact O-N 3.5Å
124V91.5Very high91.6Very high12 Ų1269 Ų697%0.07334%0.344CS..Hα-helixtrans-64.6-47.8177165.20000110.4L46 L50 I100 D120 A121 E122 L126 K127 L128L46-V124 HydrophobicContact CD1-CG1 3.61Å; L50-V124 HydrophobicContact CD2-CG2 3.96Å; I100-V124 HydrophobicContact CD1-CG1 4.26Å; D120-V124 WeakPolarHBondContact O-CB 3.43Å; D120-V124 VanDerWaalsContact O-CG2 3.24Å; D120-V124 WeakPolarHBondContact O-CG2 3.36Å; D120-V124 PolarHBondContact O-N 2.76Å; A121-V124 PolarHBondContact O-N 3.18Å; E122-V124 PolarHBondContact O-N 2.94Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 2.95Å; V124-K127 WeakPolarHBondContact O-CB 3.35Å; V124-K127 PolarHBondContact O-N 2.66Å; V124-K127 VanDerWaalsContact O-N 3.12Å; V124-L128 HydrophobicContact CG1-CD1 3.89Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 2.78Å
125M91.1Very high92Very high0 Ų069.8 Ų69.80%035%0.352CS..Hα-helixtrans-57.9-43.2176.5-79.2178.5-168.200112.1L97 I100 A121 E122 L128 G129 H130 F132 I137L97-M125 HydrophobicContact CD1-CE 3.54Å; L97-M125 HydrophobicContact CD1-SD 4.04Å; I100-M125 HydrophobicContact CB-CE 3.56Å; I100-M125 HydrophobicContact CD1-CE 3.87Å; I100-M125 HydrophobicContact CD1-CG 3.37Å; I100-M125 HydrophobicContact CD1-SD 4.48Å; I100-M125 HydrophobicContact CG1-CE 4.31Å; I100-M125 HydrophobicContact CG2-CE 3.57Å; A121-M125 WeakPolarHBondContact O-CB 3.45Å; A121-M125 VanDerWaalsContact O-CG 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.14Å; E122-M125 PolarHBondContact O-N 3.03Å; M125-L128 PolarHBondContact O-N 2.62Å; M125-G129 PolarHBondContact O-N 2.92Å; M125-H130 CarbonylContact C-O 3.2Å; M125-H130 WeakPolarHBondContact CB-O 3.32Å; M125-H130 CarbonylContact O-C 3.1Å; M125-H130 PolarHBondContact O-N 2.85Å; M125-F132 HydrophobicContact CB-CD2 4.31Å; M125-F132 HydrophobicContact CG-CD2 4.13Å; M125-F132 HydrophobicContact SD-CB 3.82Å; M125-F132 HydrophobicContact SD-CD2 3.4Å; M125-F132 WeakPolarHBondContact SD-CD2 3.44Å; M125-F132 HydrophobicContact SD-CE2 4.27Å; M125-F132 HydrophobicContact SD-CG 3.96Å; M125-I137 HydrophobicContact CE-CD1 4.28Å; M125-I137 HydrophobicContact CE-CG1 4.08Å; M125-I137 HydrophobicContact SD-CD1 3.7Å; M125-I137 HydrophobicContact SD-CG1 3.79Å
126L92.2Very high92.3Very high115 Ų11569.8 Ų69.860%0.60235%0.351SS*.Hα-helixtrans-60.1-46.2173.7-178.164.5000111.8E122 V124 L128 G129 P131E122-L126 WeakPolarHBondContact O-CB 3.21Å; E122-L126 PolarHBondContact O-N 3.38Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 2.95Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.02Å; L126-G129 PolarHBondContact O-N 3.3Å; L126-G129 VanDerWaalsContact O-N 3.1Å; L126-P131 HydrophobicContact CD1-CB 4.22Å
127K90.6Very high92.5Very high155 Ų15569.4 Ų69.467%0.67435%0.349SS*.Hα-helixtrans-63-30.7177.6-75.8-178.7177.2-170.10113.3R123 V124 G129R123-K127 WeakPolarHBondContact O-CG 3.44Å; R123-K127 PolarHBondContact O-N 3.5Å; V124-K127 WeakPolarHBondContact O-CB 3.35Å; V124-K127 PolarHBondContact O-N 2.66Å; V124-K127 VanDerWaalsContact O-N 3.12Å; K127-G129 VanDerWaalsContact C-N 3.25Å; K127-G129 PolarHBondContact O-N 2.73Å
128L87.7Confident92.7Very high63 Ų6366.4 Ų66.433%0.3334%0.338SS..THydrogen-bonded Turntrans-82.51.5177.3-66.2171000113.3F42 I100 V124 M125 L126 H130F42-L128 HydrophobicContact CE2-CD1 4.41Å; F42-L128 HydrophobicContact CE2-CD2 4.39Å; F42-L128 HydrophobicContact CZ-CD1 3.91Å; I100-L128 HydrophobicContact CD1-CD1 3.96Å; V124-L128 HydrophobicContact CG1-CD1 3.89Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 2.78Å; M125-L128 PolarHBondContact O-N 2.62Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.02Å; L128-H130 PolarHBondContact O-CD2 3.32Å
129G89.8Confident92.7Very high56 Ų5671.4 Ų71.458%0.57736%0.36SS*.THydrogen-bonded Turntrans79.117.2-179.200000114.3M125 L126 K127 P131M125-G129 PolarHBondContact O-N 2.92Å; L126-G129 PolarHBondContact O-N 3.3Å; L126-G129 VanDerWaalsContact O-N 3.1Å; K127-G129 VanDerWaalsContact C-N 3.25Å; K127-G129 PolarHBondContact O-N 2.73Å; G129-P131 WeakPolarHBondContact O-CD 3.5Å
130H87.8Confident92.9Very high59 Ų5969.4 Ų69.427%0.27335%0.346SS..  trans-123.570.7-179.1-62.2-57.3000110.9M125 L128 F132M125-H130 CarbonylContact C-O 3.2Å; M125-H130 WeakPolarHBondContact CB-O 3.32Å; M125-H130 CarbonylContact O-C 3.1Å; M125-H130 PolarHBondContact O-N 2.85Å; L128-H130 PolarHBondContact O-CD2 3.32Å; H130-F132 HydrophobicContact CB-CE2 4.1Å; H130-F132 WeakPolarHBondContact O-CD2 3.47Å; H130-F132 PolarHBondContact O-N 3.38Å
131P91.2Very high93.1Very high76 Ų7667.9 Ų67.949%0.49434%0.338SS..  trans-63.9133.3-177.927.2-34.3000111.4K93 L126 G129K93-P131 WeakPolarHBondContact CE-O 3.31Å; K93-P131 PolarHBondContact NZ-O 3.45Å; L126-P131 HydrophobicContact CD1-CB 4.22Å; G129-P131 WeakPolarHBondContact O-CD 3.5Å
132F92.2Very high93.2Very high16 Ų1672.5 Ų72.57%0.0736%0.362CS..  trans-135.7144173.4-72.6-79.4000109.2K93 L97 M125 H130 E136 I137K93-F132 HydrophobicContact CD-CE1 4.28Å; K93-F132 HydrophobicContact CD-CZ 3.94Å; K93-F132 VanDerWaalsContact CE-CE1 3.44Å; K93-F132 HydrophobicContact CG-CE1 4.04Å; K93-F132 HydrophobicContact CG-CE2 3.88Å; K93-F132 HydrophobicContact CG-CZ 3.29Å; K93-F132 WeakPolarHBondContact O-CZ 3.41Å; L97-F132 HydrophobicContact CB-CD2 4.42Å; L97-F132 HydrophobicContact CB-CE1 4.04Å; L97-F132 HydrophobicContact CB-CE2 3.75Å; L97-F132 HydrophobicContact CB-CZ 3.5Å; L97-F132 VanDerWaalsContact CB-CZ 3.5Å; L97-F132 HydrophobicContact CD1-CD1 4.34Å; L97-F132 HydrophobicContact CD1-CD2 4.3Å; L97-F132 HydrophobicContact CD1-CE1 4.49Å; L97-F132 HydrophobicContact CD1-CE2 4.46Å; L97-F132 HydrophobicContact CD1-CG 4.21Å; L97-F132 HydrophobicContact CD2-CD1 4.02Å; L97-F132 HydrophobicContact CD2-CE1 3.65Å; L97-F132 HydrophobicContact CD2-CZ 4.03Å; L97-F132 HydrophobicContact CG-CE1 4.28Å; L97-F132 HydrophobicContact CG-CZ 4.21Å; M125-F132 HydrophobicContact CB-CD2 4.31Å; M125-F132 HydrophobicContact CG-CD2 4.13Å; M125-F132 HydrophobicContact SD-CB 3.82Å; M125-F132 HydrophobicContact SD-CD2 3.4Å; M125-F132 WeakPolarHBondContact SD-CD2 3.44Å; M125-F132 HydrophobicContact SD-CE2 4.27Å; M125-F132 HydrophobicContact SD-CG 3.96Å; H130-F132 HydrophobicContact CB-CE2 4.1Å; H130-F132 WeakPolarHBondContact O-CD2 3.47Å; H130-F132 PolarHBondContact O-N 3.38Å; F132-E136 WeakPolarHBondContact CA-OE2 3.4Å; F132-E136 HydrophobicContact CB-CB 4.47Å; F132-E136 HydrophobicContact CD1-CB 4.22Å; F132-I137 HydrophobicContact CB-CD1 4.46Å; F132-I137 HydrophobicContact CB-CG1 4.13Å
133F93.2Very high93.2Very high154 Ų15471.3 Ų71.368%0.67536%0.359SS*.  trans-75.7152.2172.6-61.9-68.6000110.9N135 E136 I137F133-N135 PolarHBondContact O-N 2.93Å; F133-N135 VanDerWaalsContact O-N 3.1Å; F133-E136 HydrophobicContact CB-CG 4.35Å; F133-E136 VanDerWaalsContact CD2-OE2 3.28Å; F133-E136 WeakPolarHBondContact CD2-OE2 3.22Å; F133-E136 PolarHBondContact N-OE2 3.12Å; F133-E136 WeakPolarHBondContact O-CB 3.4Å; F133-E136 PolarHBondContact O-N 3.36Å; F133-I137 PolarHBondContact O-N 2.88Å
134K94.2Very high93.3Very high103 Ų10364.2 Ų64.245%0.44833%0.332SS..Hα-helixtrans-49.6-39.2175.5-66.1-177-176.61730113.5T118 E122 I137 I138T118-K134 HydrophobicContact CG2-CB 4.18Å; T118-K134 HydrophobicContact CG2-CG 4.38Å; E122-K134 WeakPolarHBondContact OE2-CE 3.37Å; E122-K134 VanDerWaalsContact OE2-CG 3.29Å; E122-K134 WeakPolarHBondContact OE2-CG 3.17Å; K134-I137 PolarHBondContact O-N 2.91Å; K134-I138 VanDerWaalsContact O-CG1 3.27Å; K134-I138 WeakPolarHBondContact O-CG1 3.39Å; K134-I138 PolarHBondContact O-N 2.86Å
135N95.5Very high93.4Very high116 Ų11666.6 Ų66.662%0.6235%0.345SS*.Hα-helixtrans-64-41.7179.1-68.2-4.8000111.6F133 I137 I138 E139F133-N135 PolarHBondContact O-N 2.93Å; F133-N135 VanDerWaalsContact O-N 3.1Å; N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 3.31Å; N135-I138 PolarHBondContact O-N 3.36Å; N135-E139 WeakPolarHBondContact O-CB 3.34Å; N135-E139 WeakPolarHBondContact O-CG 3.4Å; N135-E139 PolarHBondContact O-N 3.32Å
136E95.2Very high93.5Very high68 Ų6872 Ų7232%0.31837%0.373SS..Hα-helixtrans-62.7-37.8176.3-61.51779600111.3F132 F133 A140F132-E136 WeakPolarHBondContact CA-OE2 3.4Å; F132-E136 HydrophobicContact CB-CB 4.47Å; F132-E136 HydrophobicContact CD1-CB 4.22Å; F133-E136 HydrophobicContact CB-CG 4.35Å; F133-E136 VanDerWaalsContact CD2-OE2 3.28Å; F133-E136 WeakPolarHBondContact CD2-OE2 3.22Å; F133-E136 PolarHBondContact N-OE2 3.12Å; F133-E136 WeakPolarHBondContact O-CB 3.4Å; F133-E136 PolarHBondContact O-N 3.36Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.48Å
137I96.6Very high93.3Very high0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-68.5-41.8176.6-58.5171.9000111L97 T118 A121 E122 M125 F132 F133 K134 N135 A140 E141L97-I137 HydrophobicContact CD1-CG1 4.13Å; T118-I137 HydrophobicContact CG2-CB 3.96Å; T118-I137 HydrophobicContact CG2-CG2 3.84Å; A121-I137 HydrophobicContact CB-CD1 4.37Å; A121-I137 HydrophobicContact CB-CG2 4.25Å; E122-I137 HydrophobicContact CB-CD1 3.71Å; M125-I137 HydrophobicContact CE-CD1 4.28Å; M125-I137 HydrophobicContact CE-CG1 4.08Å; M125-I137 HydrophobicContact SD-CD1 3.7Å; M125-I137 HydrophobicContact SD-CG1 3.79Å; F132-I137 HydrophobicContact CB-CD1 4.46Å; F132-I137 HydrophobicContact CB-CG1 4.13Å; F133-I137 PolarHBondContact O-N 2.88Å; K134-I137 PolarHBondContact O-N 2.91Å; N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 3.31Å; I137-A140 PolarHBondContact O-N 3.5Å; I137-E141 WeakPolarHBondContact O-CB 3.45Å; I137-E141 PolarHBondContact O-N 3.46Å
138I96.6Very high93.3Very high72 Ų7261 Ų6137%0.36932%0.324SS..Hα-helixtrans-65.3-44.5177.6-69.2164.1000110.6T118 K134 N135 A140 E141 L142T118-I138 HydrophobicContact CG2-CD1 4.42Å; T118-I138 HydrophobicContact CG2-CG1 3.96Å; K134-I138 VanDerWaalsContact O-CG1 3.27Å; K134-I138 WeakPolarHBondContact O-CG1 3.39Å; K134-I138 PolarHBondContact O-N 2.86Å; N135-I138 PolarHBondContact O-N 3.36Å; I138-A140 VanDerWaalsContact C-N 3.34Å; I138-A140 PolarHBondContact O-N 2.91Å; I138-E141 WeakPolarHBondContact O-CB 3.25Å; I138-E141 PolarHBondContact O-N 3.46Å; I138-L142 HydrophobicContact CG2-CD1 4.32Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 3.09Å
139E96.4Very high93.1Very high133 Ų13363.9 Ų63.962%0.62134%0.336SS*.Hα-helixtrans-62.1-42.4176.2-74.1174.2-171.600111.7N135 E141 L142 C143N135-E139 WeakPolarHBondContact O-CB 3.34Å; N135-E139 WeakPolarHBondContact O-CG 3.4Å; N135-E139 PolarHBondContact O-N 3.32Å; E139-E141 VanDerWaalsContact C-N 3.32Å; E139-E141 PolarHBondContact O-N 3.27Å; E139-L142 PolarHBondContact O-N 2.81Å; E139-C143 WeakPolarHBondContact O-CB 3.28Å; E139-C143 PolarHBondContact O-N 3.25Å
140A96.1Very high92.4Very high4 Ų463.7 Ų63.73%0.03332%0.321CS..Hα-helixtrans-62-40.9173.300000111.5L97 Y98 T101 E136 I137 I138 C143 V144L97-A140 HydrophobicContact CD1-CB 3.92Å; L97-A140 HydrophobicContact CD2-CB 3.95Å; L97-A140 HydrophobicContact CG-CB 3.76Å; Y98-A140 HydrophobicContact CD1-CB 4.26Å; Y98-A140 HydrophobicContact CE1-CB 4.16Å; T101-A140 HydrophobicContact CG2-CB 4.13Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.48Å; I137-A140 PolarHBondContact O-N 3.5Å; I138-A140 VanDerWaalsContact C-N 3.34Å; I138-A140 PolarHBondContact O-N 2.91Å; A140-C143 WeakPolarHBondContact O-CB 3.35Å; A140-C143 PolarHBondContact O-N 2.94Å; A140-V144 WeakPolarHBondContact O-CG2 3.46Å; A140-V144 PolarHBondContact O-N 3.14Å
141E96.2Very high91.9Very high18 Ų1861.3 Ų61.38%0.08431%0.311CS..Hα-helixtrans-62.9-46178.5179.8165.9-13800112T101 Q104 V105 K108 I137 I138 E139 C143 V144 L145T101-E141 HydrophobicContact CG2-CB 3.74Å; T101-E141 HydrophobicContact CG2-CG 4.44Å; T101-E141 VanDerWaalsContact CG2-N 3.29Å; Q104-E141 WeakPolarHBondContact CG-OE1 3.4Å; Q104-E141 VanDerWaalsContact NE2-CD 3.27Å; Q104-E141 PolarHBondContact NE2-OE1 2.88Å; Q104-E141 PolarHBondContact NE2-OE2 2.95Å; V105-E141 HydrophobicContact CG2-CG 4.11Å; K108-E141 WeakPolarHBondContact CE-OE1 3.3Å; K108-E141 IonicContact NZ-OE1 2.62Å; K108-E141 PolarHBondContact NZ-OE1 3.37Å; K108-E141 IonicContact NZ-OE2 2.71Å; K108-E141 PolarHBondContact NZ-OE2 3.41Å; I137-E141 WeakPolarHBondContact O-CB 3.45Å; I137-E141 PolarHBondContact O-N 3.46Å; I138-E141 WeakPolarHBondContact O-CB 3.25Å; I138-E141 PolarHBondContact O-N 3.46Å; E139-E141 VanDerWaalsContact C-N 3.32Å; E139-E141 PolarHBondContact O-N 3.27Å; E141-C143 VanDerWaalsContact C-N 3.28Å; E141-C143 PolarHBondContact O-N 3Å; E141-V144 PolarHBondContact O-N 3.33Å; E141-L145 HydrophobicContact CG-CD1 4.02Å; E141-L145 HydrophobicContact CG-CG 4.47Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.42Å
142L95.8Very high91.5Very high96 Ų9659.1 Ų59.150%0.50330%0.295SS..Hα-helixtrans-60.1-41.4174.1-69.9172.3000111.3I138 E139 L145 N146I138-L142 HydrophobicContact CG2-CD1 4.32Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 3.09Å; E139-L142 PolarHBondContact O-N 2.81Å; L142-L145 PolarHBondContact O-N 3.25Å; L142-N146 WeakPolarHBondContact O-CB 3.41Å; L142-N146 PolarHBondContact O-N 3.15Å; L142-N146 PolarHBondContact O-ND2 2.92Å
143C94.6Very high90.7Very high32 Ų3266.4 Ų66.422%0.21633%0.332CS..Hα-helixtrans-60.1-49.1174.9-177.90000111.6Y71 Y98 E139 A140 E141 L145 N146 T147Y71-C143 VanDerWaalsContact CE2-SG 3.58Å; Y98-C143 HydrophobicContact CE1-CB 4.36Å; E139-C143 WeakPolarHBondContact O-CB 3.28Å; E139-C143 PolarHBondContact O-N 3.25Å; A140-C143 WeakPolarHBondContact O-CB 3.35Å; A140-C143 PolarHBondContact O-N 2.94Å; E141-C143 VanDerWaalsContact C-N 3.28Å; E141-C143 PolarHBondContact O-N 3Å; C143-L145 PolarHBondContact O-N 3.38Å; C143-N146 PolarHBondContact O-N 2.92Å; C143-T147 WeakPolarHBondContact O-CB 3.16Å; C143-T147 PolarHBondContact O-N 3.35Å; C143-T147 PolarHBondContact O-OG1 3.48Å
144V94.7Very high89.8Confident0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-60.1-46.3178.9169.70000111.2F67 Y98 T101 V102 V105 A140 E141 T147 L148F67-V144 HydrophobicContact CD2-CB 4.31Å; F67-V144 HydrophobicContact CD2-CG1 4.41Å; F67-V144 HydrophobicContact CD2-CG2 3.94Å; F67-V144 HydrophobicContact CE1-CG2 4.48Å; F67-V144 HydrophobicContact CE2-CB 4.29Å; F67-V144 HydrophobicContact CE2-CG2 3.73Å; F67-V144 HydrophobicContact CG-CG2 4.41Å; F67-V144 HydrophobicContact CZ-CG2 4.02Å; Y98-V144 HydrophobicContact CD1-CG2 4.09Å; T101-V144 HydrophobicContact CG2-CB 4.18Å; T101-V144 HydrophobicContact CG2-CG2 3.74Å; V102-V144 HydrophobicContact CG2-CG1 3.71Å; V102-V144 HydrophobicContact CG2-CG2 3.97Å; V105-V144 HydrophobicContact CB-CG1 4.43Å; V105-V144 HydrophobicContact CG2-CG1 3.95Å; A140-V144 WeakPolarHBondContact O-CG2 3.46Å; A140-V144 PolarHBondContact O-N 3.14Å; E141-V144 PolarHBondContact O-N 3.33Å; V144-T147 PolarHBondContact O-N 3.32Å; V144-L148 HydrophobicContact CG1-CD1 3.73Å; V144-L148 HydrophobicContact CG1-CG 4.4Å; V144-L148 VanDerWaalsContact O-CB 3.3Å; V144-L148 WeakPolarHBondContact O-CB 3.32Å; V144-L148 WeakPolarHBondContact O-CG 3.47Å; V144-L148 PolarHBondContact O-N 3.24Å
145L94Very high89.2Confident63 Ų6360.6 Ų60.633%0.3330%0.303SS..Hα-helixtrans-63.3-44.1179.6-72.7170.9000112.3V105 E141 L142 C143 L148 Q149 L152V105-L145 HydrophobicContact CG1-CD2 3.77Å; V105-L145 HydrophobicContact CG2-CD2 3.95Å; V105-L145 HydrophobicContact CG2-CG 4.05Å; E141-L145 HydrophobicContact CG-CD1 4.02Å; E141-L145 HydrophobicContact CG-CG 4.47Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.42Å; L142-L145 PolarHBondContact O-N 3.25Å; C143-L145 PolarHBondContact O-N 3.38Å; L145-L148 PolarHBondContact O-N 3.24Å; L145-Q149 WeakPolarHBondContact O-CA 3.29Å; L145-Q149 PolarHBondContact O-N 2.75Å; L145-L152 HydrophobicContact CD2-CD1 4.28Å
146N92.2Very high88.7Confident112 Ų11255 Ų5560%0.59927%0.273SS*.Hα-helixtrans-66.5-39.3178-72.5-22000111.8L142 C143L142-N146 WeakPolarHBondContact O-CB 3.41Å; L142-N146 PolarHBondContact O-N 3.15Å; L142-N146 PolarHBondContact O-ND2 2.92Å; C143-N146 PolarHBondContact O-N 2.92Å
147T89.5Confident88.6Confident38 Ų3851.8 Ų51.823%0.23326%0.258CS..Hα-helixtrans-68.6-40.6177.6-62.50000111.7F67 L70 C143 V144F67-T147 HydrophobicContact CD2-CG2 3.71Å; F67-T147 HydrophobicContact CE2-CG2 4Å; L70-T147 HydrophobicContact CB-CG2 3.44Å; L70-T147 VanDerWaalsContact CB-CG2 3.44Å; L70-T147 HydrophobicContact CD1-CG2 4.32Å; L70-T147 WeakPolarHBondContact CD1-O 3.31Å; C143-T147 WeakPolarHBondContact O-CB 3.16Å; C143-T147 PolarHBondContact O-N 3.35Å; C143-T147 PolarHBondContact O-OG1 3.48Å; V144-T147 PolarHBondContact O-N 3.32Å
148L89.6Confident88.4Confident1 Ų152.7 Ų52.71%0.00526%0.262CS..Hα-helixtrans-92.8-1.6-174.9-68.5-180000114.8M63 R66 F67 L70 V144 L145 D150 S151 L152M63-L148 HydrophobicContact CB-CD1 4.22Å; R66-L148 HydrophobicContact CB-CD2 3.84Å; F67-L148 HydrophobicContact CB-CD1 4.26Å; F67-L148 HydrophobicContact CB-CD2 4Å; F67-L148 HydrophobicContact CB-CG 4.2Å; F67-L148 HydrophobicContact CD2-CG 4.49Å; L70-L148 HydrophobicContact CD1-CD2 4.28Å; V144-L148 HydrophobicContact CG1-CD1 3.73Å; V144-L148 HydrophobicContact CG1-CG 4.4Å; V144-L148 VanDerWaalsContact O-CB 3.3Å; V144-L148 WeakPolarHBondContact O-CB 3.32Å; V144-L148 WeakPolarHBondContact O-CG 3.47Å; V144-L148 PolarHBondContact O-N 3.24Å; L145-L148 PolarHBondContact O-N 3.24Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.28Å; L148-S151 CarbonylContact O-C 3.37Å; L148-S151 WeakPolarHBondContact O-CA 3.37Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-L152 HydrophobicContact CB-CD2 3.65Å; L148-L152 HydrophobicContact CB-CG 4.22Å; L148-L152 HydrophobicContact CD1-CD2 4.17Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.41Å
149Q84.1Confident88.1Confident125 Ų12551.2 Ų51.258%0.58425%0.254SS*.THydrogen-bonded Turntrans-41-50.6-167.1-174.4178.68.300114.4L145L145-Q149 WeakPolarHBondContact O-CA 3.29Å; L145-Q149 PolarHBondContact O-N 2.75Å
150D74.8Confident87.8Confident51 Ų5144.9 Ų44.927%0.27322%0.224SC..THydrogen-bonded Turntrans-83.7-14.7-177.8-58.2-54.2000113.7P21 K22 L148P21-D150 HydrophobicContact CB-CB 4.04Å; P21-D150 HydrophobicContact CG-CB 3.98Å; K22-D150 WeakPolarHBondContact CD-OD2 3.2Å; K22-D150 WeakPolarHBondContact CE-OD2 3.2Å; K22-D150 IonicContact NZ-OD2 2.64Å; K22-D150 PolarHBondContact NZ-OD2 2.81Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.28Å
151S78.2Confident87.8Confident9 Ų944.8 Ų44.86%0.06322%0.223CC..THydrogen-bonded Turntrans-101.1-4.8-176.9-49.10000113.5L148 M153 Y154L148-S151 CarbonylContact O-C 3.37Å; L148-S151 WeakPolarHBondContact O-CA 3.37Å; L148-S151 PolarHBondContact O-N 2.99Å; S151-M153 PolarHBondContact O-N 3.3Å; S151-Y154 VanDerWaalsContact O-CB 3.25Å; S151-Y154 WeakPolarHBondContact O-CB 3.42Å; S151-Y154 PolarHBondContact O-N 3.25Å
152L81Confident87.6Confident30 Ų3046.9 Ų46.916%0.15723%0.233CC..THydrogen-bonded Turntrans-61-34.6179.7-69.3-177000112.6M63 V105 L109 L145 L148 Y154M63-L152 HydrophobicContact CE-CD2 4.24Å; M63-L152 VanDerWaalsContact CE-O 3.31Å; M63-L152 WeakPolarHBondContact CE-O 3.44Å; V105-L152 HydrophobicContact CG1-CD2 4.2Å; L109-L152 HydrophobicContact CD1-CD2 3.92Å; L145-L152 HydrophobicContact CD2-CD1 4.28Å; L148-L152 HydrophobicContact CB-CD2 3.65Å; L148-L152 HydrophobicContact CB-CG 4.22Å; L148-L152 HydrophobicContact CD1-CD2 4.17Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.41Å; L152-Y154 VanDerWaalsContact C-N 3.3Å
153M76.2Confident87.3Confident169 Ų16943.6 Ų43.683%0.83322%0.215SC*.THydrogen-bonded Turntrans-88.22.4-178.6-60.9-58.6-11300113.5S151S151-M153 PolarHBondContact O-N 3.3Å
154Y74.8Confident87.2Confident38 Ų3842.2 Ų42.215%0.14921%0.205CC..PPolyproline II helixtrans-71.4138-176.4-171.2-74.8000111.4Y27 K59 S151 L152 S208Y27-Y154 HydrophobicContact CD1-CE1 4.38Å; Y27-Y154 HydrophobicContact CD1-CE2 4.25Å; Y27-Y154 AromaticContact CD1-CZ 3.9Å; Y27-Y154 AromaticContact CE1-CE1 3.86Å; Y27-Y154 HydrophobicContact CE1-CE1 3.86Å; Y27-Y154 AromaticContact CE1-CZ 3.84Å; K59-Y154 PolarHBondContact NZ-O 2.8Å; S151-Y154 VanDerWaalsContact O-CB 3.25Å; S151-Y154 WeakPolarHBondContact O-CB 3.42Å; S151-Y154 PolarHBondContact O-N 3.25Å; L152-Y154 VanDerWaalsContact C-N 3.3Å; Y154-S208 WeakPolarHBondContact OH-CB 3.38Å; Y154-S208 PolarHBondContact OH-OG 2.79Å
155R80.3Confident87.1Confident97 Ų9742.7 Ų42.737%0.36621%0.209SC..PPolyproline II helixtrans-73.5132.1-176.7-66.3-61.9-169.9-1781.5112.5E159R155-E159 WeakPolarHBondContact CA-OE2 3.25Å; R155-E159 IonicContact CZ-OE1 2.67Å; R155-E159 IonicContact NH1-OE1 3.78Å; R155-E159 PolarHBondContact NH1-OE1 3.31Å
156T86.7Confident86.9Confident0 Ų042.3 Ų42.30%021%0.209CC..PPolyproline II helixtrans-87.9168.117758.90000112.1K59 E62 E158 E159 C160K59-T156 HydrophobicContact CD-CG2 3.52Å; K59-T156 HydrophobicContact CG-CG2 4.25Å; E62-T156 HydrophobicContact CB-CG2 4.07Å; E62-T156 VanDerWaalsContact CD-CG2 3.43Å; E62-T156 HydrophobicContact CG-CG2 4.1Å; E62-T156 VanDerWaalsContact OE1-CA 3.29Å; E62-T156 WeakPolarHBondContact OE1-CA 3.45Å; E62-T156 WeakPolarHBondContact OE1-CB 3.5Å; E62-T156 VanDerWaalsContact OE2-CA 3.32Å; E62-T156 WeakPolarHBondContact OE2-CA 3.37Å; E62-T156 WeakPolarHBondContact OE2-CG2 3.47Å; T156-E158 VanDerWaalsContact C-N 3.27Å; T156-E159 PolarHBondContact N-OE2 3.04Å; T156-E159 WeakPolarHBondContact OG1-CG 3.46Å; T156-E159 PolarHBondContact OG1-N 3.29Å; T156-E159 PolarHBondContact OG1-OE2 2.91Å; T156-C160 WeakPolarHBondContact O-CB 3.44Å; T156-C160 PolarHBondContact O-N 3.15Å; T156-C160 VanDerWaalsContact O-N 3.1Å
157L92Very high86.6Confident0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-63.8-38.6171.2176.362.3000110.6R31 E62 C160 I161 V187 L212 L215R31-L157 VanDerWaalsContact NH2-CB 3.32Å; R31-L157 VanDerWaalsContact NH2-N 3.12Å; E62-L157 PolarHBondContact OE1-N 2.92Å; L157-C160 WeakPolarHBondContact O-CB 3.48Å; L157-C160 PolarHBondContact O-N 2.98Å; L157-I161 HydrophobicContact CD1-CD1 3.92Å; L157-I161 HydrophobicContact CD1-CG1 4.08Å; L157-I161 HydrophobicContact CD2-CD1 4.34Å; L157-I161 HydrophobicContact CG-CD1 3.68Å; L157-I161 HydrophobicContact CG-CG1 4.29Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.37Å; L157-I161 PolarHBondContact O-N 3.02Å; L157-V187 HydrophobicContact CD2-CB 4.48Å; L157-V187 HydrophobicContact CD2-CG1 3.71Å; L157-L212 VanDerWaalsContact CA-CD2 3.4Å; L157-L212 HydrophobicContact CB-CD2 3.74Å; L157-L212 HydrophobicContact CD1-CD2 3.92Å; L157-L212 HydrophobicContact CG-CD2 4.46Å; L157-L215 HydrophobicContact CD1-CB 3.89Å
158E93.3Very high86.6Confident19 Ų1935.6 Ų35.69%0.08917%0.172CC..Hα-helixtrans-57.9-54.4174.9-178-81.615500110.9E55 F58 T156 C160 I161 E162 M184E55-E158 WeakPolarHBondContact CG-OE1 3.19Å; F58-E158 HydrophobicContact CB-CB 4.07Å; F58-E158 HydrophobicContact CB-CG 4.37Å; F58-E158 HydrophobicContact CD2-CG 4.12Å; T156-E158 VanDerWaalsContact C-N 3.27Å; E158-C160 PolarHBondContact O-N 3.31Å; E158-I161 PolarHBondContact O-N 3.17Å; E158-E162 PolarHBondContact O-N 3.32Å; E158-E162 WeakPolarHBondContact OE1-CG 3.15Å; E158-M184 VanDerWaalsContact CA-SD 3.57Å; E158-M184 HydrophobicContact CB-CE 4.13Å; E158-M184 HydrophobicContact CB-SD 3.59Å; E158-M184 VanDerWaalsContact CB-SD 3.59Å; E158-M184 HydrophobicContact CG-CE 3.89Å; E158-M184 HydrophobicContact CG-SD 4.04Å
159E89.8Confident86.6Confident41 Ų4137.5 Ų37.519%0.19218%0.183CC..Hα-helixtrans-58.4-34.7177-72.5166.8104.300112.7K59 R155 T156 F163K59-E159 IonicContact NZ-OE1 3.02Å; K59-E159 IonicContact NZ-OE2 2.78Å; K59-E159 PolarHBondContact NZ-OE2 3.03Å; R155-E159 WeakPolarHBondContact CA-OE2 3.25Å; R155-E159 IonicContact CZ-OE1 2.67Å; R155-E159 IonicContact NH1-OE1 3.78Å; R155-E159 PolarHBondContact NH1-OE1 3.31Å; T156-E159 PolarHBondContact N-OE2 3.04Å; T156-E159 WeakPolarHBondContact OG1-CG 3.46Å; T156-E159 PolarHBondContact OG1-N 3.29Å; T156-E159 PolarHBondContact OG1-OE2 2.91Å; E159-F163 VanDerWaalsContact O-CB 3.3Å; E159-F163 WeakPolarHBondContact O-CB 3.31Å; E159-F163 PolarHBondContact O-N 3.01Å; E159-F163 VanDerWaalsContact O-N 3.11Å
160C91.2Very high86.7Confident0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-69.8-42.3175.7-173.30000111.9W12 T156 L157 E158 F163 L164 L212W12-C160 HydrophobicContact CH2-CB 4.34Å; W12-C160 HydrophobicContact CZ2-CB 4.31Å; T156-C160 WeakPolarHBondContact O-CB 3.44Å; T156-C160 PolarHBondContact O-N 3.15Å; T156-C160 VanDerWaalsContact O-N 3.1Å; L157-C160 WeakPolarHBondContact O-CB 3.48Å; L157-C160 PolarHBondContact O-N 2.98Å; E158-C160 PolarHBondContact O-N 3.31Å; C160-F163 PolarHBondContact O-N 3.16Å; C160-L164 WeakPolarHBondContact O-CB 3.38Å; C160-L164 WeakPolarHBondContact O-CG 3.41Å; C160-L164 PolarHBondContact O-N 3.3Å; C160-L212 HydrophobicContact CB-CB 4.37Å; C160-L212 HydrophobicContact CB-CD2 4.37Å
161I94.2Very high87.1Confident1 Ų136.4 Ų36.41%0.00518%0.179CC..Hα-helixtrans-65.1-44.3178-72.1165.3000109.9L157 E158 F163 L164 A165 K180 M184 G216 V219 L220L157-I161 HydrophobicContact CD1-CD1 3.92Å; L157-I161 HydrophobicContact CD1-CG1 4.08Å; L157-I161 HydrophobicContact CD2-CD1 4.34Å; L157-I161 HydrophobicContact CG-CD1 3.68Å; L157-I161 HydrophobicContact CG-CG1 4.29Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.37Å; L157-I161 PolarHBondContact O-N 3.02Å; E158-I161 PolarHBondContact O-N 3.17Å; I161-F163 PolarHBondContact O-N 3.27Å; I161-L164 PolarHBondContact O-N 2.67Å; I161-A165 VanDerWaalsContact O-CB 3.27Å; I161-A165 WeakPolarHBondContact O-CB 3.33Å; I161-A165 PolarHBondContact O-N 3Å; I161-K180 HydrophobicContact CG2-CD 3.65Å; I161-K180 HydrophobicContact CG2-CG 3.7Å; I161-M184 HydrophobicContact CD1-CB 4.27Å; I161-M184 HydrophobicContact CD1-CG 4.12Å; I161-M184 HydrophobicContact CD1-SD 3.78Å; I161-G216 VanDerWaalsContact CG1-CA 3.48Å; I161-V219 HydrophobicContact CD1-CB 3.95Å; I161-V219 HydrophobicContact CD1-CG1 3.84Å; I161-V219 HydrophobicContact CD1-CG2 4Å; I161-V219 HydrophobicContact CG1-CB 4.41Å; I161-L220 HydrophobicContact CG2-CD2 3.75Å; I161-L220 HydrophobicContact CG2-CG 4.19Å
162E92.6Very high87.5Confident62 Ų6237.4 Ų37.429%0.2918%0.183SC..Hα-helixtrans-60.8-46.7177.2-69.7-67.4-170.600111.6E158 L164 A165 V166 K180E158-E162 PolarHBondContact O-N 3.32Å; E158-E162 WeakPolarHBondContact OE1-CG 3.15Å; E162-L164 PolarHBondContact O-N 3.05Å; E162-A165 PolarHBondContact O-N 3.44Å; E162-V166 WeakPolarHBondContact O-CG2 3.49Å; E162-V166 PolarHBondContact O-N 3.24Å; E162-K180 IonicContact OE1-NZ 2.54Å; E162-K180 PolarHBondContact OE1-NZ 2.9Å; E162-K180 IonicContact OE2-NZ 3.24Å; E162-K180 PolarHBondContact OE2-NZ 3.48Å
163F89.9Confident87.8Confident28 Ų2845.7 Ų45.712%0.12321%0.213CC..Hα-helixtrans-58.7-48.1176.6177.8-98000111.6L4 L9 W12 E159 C160 I161 A165 V166 V167L4-F163 HydrophobicContact CD1-CE2 4.39Å; L4-F163 HydrophobicContact CD2-CE2 3.69Å; L4-F163 HydrophobicContact CD2-CZ 3.82Å; L9-F163 HydrophobicContact CB-CZ 4.4Å; L9-F163 HydrophobicContact CD1-CE1 3.51Å; L9-F163 HydrophobicContact CD1-CZ 3.71Å; W12-F163 HydrophobicContact CB-CE1 4.38Å; W12-F163 HydrophobicContact CB-CE2 3.93Å; W12-F163 HydrophobicContact CB-CZ 3.84Å; W12-F163 AromaticContact CD1-CD2 3.66Å; W12-F163 AromaticContact CD1-CE2 3.88Å; W12-F163 AromaticContact CD1-CG 3.95Å; W12-F163 AromaticContact CD2-CD1 3.89Å; W12-F163 HydrophobicContact CD2-CD1 3.89Å; W12-F163 HydrophobicContact CD2-CD2 4.45Å; W12-F163 AromaticContact CD2-CE1 3.95Å; W12-F163 HydrophobicContact CD2-CE1 3.95Å; W12-F163 HydrophobicContact CD2-CE2 4.5Å; W12-F163 HydrophobicContact CD2-CG 4.16Å; W12-F163 HydrophobicContact CD2-CZ 4.27Å; W12-F163 AromaticContact CE2-CD1 3.96Å; W12-F163 AromaticContact CE2-CG 3.94Å; W12-F163 HydrophobicContact CE3-CD1 4.2Å; W12-F163 HydrophobicContact CE3-CE1 4.08Å; W12-F163 HydrophobicContact CG-CD1 4.23Å; W12-F163 HydrophobicContact CG-CD2 4.01Å; W12-F163 HydrophobicContact CG-CE1 4.08Å; W12-F163 AromaticContact CG-CE2 3.84Å; W12-F163 HydrophobicContact CG-CE2 3.84Å; W12-F163 HydrophobicContact CG-CG 4.2Å; W12-F163 AromaticContact CG-CZ 3.9Å; W12-F163 HydrophobicContact CG-CZ 3.9Å; W12-F163 HydrophobicContact CZ2-CD1 4.36Å; W12-F163 AromaticContact NE1-CD2 3.92Å; W12-F163 AromaticContact NE1-CG 3.78Å; E159-F163 VanDerWaalsContact O-CB 3.3Å; E159-F163 WeakPolarHBondContact O-CB 3.31Å; E159-F163 PolarHBondContact O-N 3.01Å; E159-F163 VanDerWaalsContact O-N 3.11Å; C160-F163 PolarHBondContact O-N 3.16Å; I161-F163 PolarHBondContact O-N 3.27Å; F163-A165 VanDerWaalsContact C-N 3.34Å; F163-A165 PolarHBondContact O-N 3.18Å; F163-V166 PolarHBondContact O-N 3.44Å; F163-V167 HydrophobicContact CD1-CG2 4.29Å; F163-V167 HydrophobicContact CE1-CG2 3.79Å; F163-V167 HydrophobicContact CE2-CG2 4.27Å; F163-V167 HydrophobicContact CZ-CG2 3.76Å; F163-V167 VanDerWaalsContact O-CG2 3.32Å; F163-V167 WeakPolarHBondContact O-CG2 3.31Å; F163-V167 PolarHBondContact O-N 2.88Å
164L91.7Very high88.3Confident3 Ų344.1 Ų44.12%0.01620%0.203CC..Hα-helixtrans-64.4-37.8177.6-70.8172.3000112.3C160 I161 E162 V166 V167 F168 L220 L243C160-L164 WeakPolarHBondContact O-CB 3.38Å; C160-L164 WeakPolarHBondContact O-CG 3.41Å; C160-L164 PolarHBondContact O-N 3.3Å; I161-L164 PolarHBondContact O-N 2.67Å; E162-L164 PolarHBondContact O-N 3.05Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.09Å; L164-V167 PolarHBondContact O-N 3.47Å; L164-F168 HydrophobicContact CB-CE2 4.28Å; L164-F168 HydrophobicContact CB-CZ 4.36Å; L164-F168 HydrophobicContact CD2-CE1 4.42Å; L164-F168 HydrophobicContact CD2-CZ 4.17Å; L164-F168 WeakPolarHBondContact O-CB 3.24Å; L164-F168 WeakPolarHBondContact O-CD2 3.17Å; L164-F168 WeakPolarHBondContact O-CG 3.43Å; L164-F168 PolarHBondContact O-N 3.16Å; L164-L220 HydrophobicContact CB-CD1 3.57Å; L164-L243 HydrophobicContact CD2-CD1 3.69Å
165A92.9Very high88.9Confident9 Ų942.7 Ų42.77%0.07420%0.198CC..Hα-helixtrans-61.8-43.5177.400000111I161 E162 F163 F168 T169 F177 L220I161-A165 VanDerWaalsContact O-CB 3.27Å; I161-A165 WeakPolarHBondContact O-CB 3.33Å; I161-A165 PolarHBondContact O-N 3Å; E162-A165 PolarHBondContact O-N 3.44Å; F163-A165 VanDerWaalsContact C-N 3.34Å; F163-A165 PolarHBondContact O-N 3.18Å; A165-F168 PolarHBondContact O-N 3.04Å; A165-T169 VanDerWaalsContact O-CB 3.27Å; A165-T169 WeakPolarHBondContact O-CB 3.34Å; A165-T169 PolarHBondContact O-N 3.42Å; A165-T169 PolarHBondContact O-OG1 3.37Å; A165-F177 HydrophobicContact CB-CD2 3.74Å; A165-F177 HydrophobicContact CB-CE2 3.82Å; A165-L220 HydrophobicContact CB-CD1 4.31Å; A165-L220 HydrophobicContact CB-CD2 4.11Å
166V89.9Confident89.3Confident56 Ų5647.1 Ų47.134%0.33922%0.215SC..Hα-helixtrans-62.5-47173.8173.60000110.9M1 L4 E162 F163 L164 F168 T169 S170M1-V166 HydrophobicContact SD-CG1 4.49Å; L4-V166 HydrophobicContact CD1-CG1 3.96Å; E162-V166 WeakPolarHBondContact O-CG2 3.49Å; E162-V166 PolarHBondContact O-N 3.24Å; F163-V166 PolarHBondContact O-N 3.44Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.09Å; V166-F168 VanDerWaalsContact C-N 3.29Å; V166-F168 PolarHBondContact O-N 2.82Å; V166-T169 PolarHBondContact O-N 2.88Å; V166-S170 PolarHBondContact O-N 3.27Å
167V86Confident89.6Confident9 Ų948.5 Ų48.56%0.05522%0.221CC..Hα-helixtrans-60.9-37.7178.5172.90000112L4 F163 L164 S170 L243L4-V167 HydrophobicContact CD2-CG2 3.83Å; F163-V167 HydrophobicContact CD1-CG2 4.29Å; F163-V167 HydrophobicContact CE1-CG2 3.79Å; F163-V167 HydrophobicContact CE2-CG2 4.27Å; F163-V167 HydrophobicContact CZ-CG2 3.76Å; F163-V167 VanDerWaalsContact O-CG2 3.32Å; F163-V167 WeakPolarHBondContact O-CG2 3.31Å; F163-V167 PolarHBondContact O-N 2.88Å; L164-V167 PolarHBondContact O-N 3.47Å; V167-S170 PolarHBondContact O-OG 2.84Å; V167-L243 HydrophobicContact CG1-CD2 4.03Å
168F89.5Confident89.4Confident0 Ų051.1 Ų51.10%024%0.239CC..Hα-helixtrans-76.2-41.5178.9-63.4-13.9000111.3L164 A165 V166 S170 K171 D172 L175 F177 L220 L236 A239 V240 L243L164-F168 HydrophobicContact CB-CE2 4.28Å; L164-F168 HydrophobicContact CB-CZ 4.36Å; L164-F168 HydrophobicContact CD2-CE1 4.42Å; L164-F168 HydrophobicContact CD2-CZ 4.17Å; L164-F168 WeakPolarHBondContact O-CB 3.24Å; L164-F168 WeakPolarHBondContact O-CD2 3.17Å; L164-F168 WeakPolarHBondContact O-CG 3.43Å; L164-F168 PolarHBondContact O-N 3.16Å; A165-F168 PolarHBondContact O-N 3.04Å; V166-F168 VanDerWaalsContact C-N 3.29Å; V166-F168 PolarHBondContact O-N 2.82Å; F168-S170 PolarHBondContact O-N 3.48Å; F168-K171 WeakPolarHBondContact O-CA 3.32Å; F168-K171 WeakPolarHBondContact O-CB 3.46Å; F168-K171 PolarHBondContact O-N 3.48Å; F168-D172 PolarHBondContact O-N 2.93Å; F168-L175 HydrophobicContact CB-CD1 4.02Å; F168-L175 WeakPolarHBondContact O-CD1 3.25Å; F168-F177 HydrophobicContact CB-CZ 4.08Å; F168-F177 HydrophobicContact CD2-CZ 4.2Å; F168-L220 HydrophobicContact CD2-CB 4.46Å; F168-L220 HydrophobicContact CD2-CD1 3.62Å; F168-L220 HydrophobicContact CE2-CB 4.37Å; F168-L220 HydrophobicContact CE2-CD1 3.61Å; F168-L236 HydrophobicContact CB-CG 4.42Å; F168-L236 HydrophobicContact CD2-CD2 3.5Å; F168-L236 HydrophobicContact CD2-CG 3.75Å; F168-L236 HydrophobicContact CE2-CD2 3.79Å; F168-L236 HydrophobicContact CE2-CG 4.23Å; F168-L236 HydrophobicContact CG-CD2 4.39Å; F168-L236 HydrophobicContact CG-CG 4.16Å; F168-A239 HydrophobicContact CD1-CB 3.44Å; F168-A239 VanDerWaalsContact CD1-CB 3.44Å; F168-A239 HydrophobicContact CE1-CB 3.77Å; F168-A239 HydrophobicContact CG-CB 4.29Å; F168-V240 HydrophobicContact CE1-CG2 4.17Å; F168-V240 HydrophobicContact CE2-CG2 4.44Å; F168-V240 HydrophobicContact CZ-CG2 3.63Å; F168-L243 HydrophobicContact CE1-CD1 4.16Å; F168-L243 HydrophobicContact CZ-CD1 4.45Å
169T89.4Confident89.4Confident40 Ų4053.2 Ų53.225%0.24525%0.251CS..Hα-helixtrans-67.1-25.3179.1-51.20000112.4A165 V166 K171 D172 R173A165-T169 VanDerWaalsContact O-CB 3.27Å; A165-T169 WeakPolarHBondContact O-CB 3.34Å; A165-T169 PolarHBondContact O-N 3.42Å; A165-T169 PolarHBondContact O-OG1 3.37Å; V166-T169 PolarHBondContact O-N 2.88Å; T169-K171 PolarHBondContact O-N 3.44Å; T169-D172 WeakPolarHBondContact CA-O 2.87Å; T169-D172 CarbonylContact O-C 3.45Å; T169-D172 PolarHBondContact O-N 2.77Å; T169-R173 WeakPolarHBondContact O-CA 3.36Å; T169-R173 PolarHBondContact O-N 3.17Å
170S85.8Confident89.7Confident36 Ų3653 Ų5325%0.25225%0.249SC..THydrogen-bonded Turntrans-68.4-22.9170.473.60000112.8V166 V167 F168V166-S170 PolarHBondContact O-N 3.27Å; V167-S170 PolarHBondContact O-OG 2.84Å; F168-S170 PolarHBondContact O-N 3.48Å
171K84.3Confident89.9Confident118 Ų11855 Ų5551%0.51326%0.26SS..THydrogen-bonded Turntrans-83.6-31.4173.6-55.5-54.2-180-169.60112.8F168 T169 V235 A239F168-K171 WeakPolarHBondContact O-CA 3.32Å; F168-K171 WeakPolarHBondContact O-CB 3.46Å; F168-K171 PolarHBondContact O-N 3.48Å; T169-K171 PolarHBondContact O-N 3.44Å; K171-V235 HydrophobicContact CB-CG1 4.43Å; K171-A239 HydrophobicContact CG-CB 4.12Å
172D86.5Confident89.9Confident29 Ų2960.4 Ų60.416%0.15529%0.285CS..  trans-151.4110.2173.8180-4.8000109.7F168 T169 E174 L175 K232 V235F168-D172 PolarHBondContact O-N 2.93Å; T169-D172 WeakPolarHBondContact CA-O 2.87Å; T169-D172 CarbonylContact O-C 3.45Å; T169-D172 PolarHBondContact O-N 2.77Å; D172-E174 PolarHBondContact O-N 3.15Å; D172-E174 VanDerWaalsContact O-N 3.16Å; D172-E174 VanDerWaalsContact OD1-CB 3.28Å; D172-E174 WeakPolarHBondContact OD1-CB 3.5Å; D172-E174 PolarHBondContact OD1-N 3.23Å; D172-L175 HydrophobicContact CB-CD1 4.07Å; D172-L175 HydrophobicContact CB-CG 3.97Å; D172-L175 WeakPolarHBondContact O-CB 3.38Å; D172-L175 WeakPolarHBondContact O-CG 3.34Å; D172-L175 PolarHBondContact O-N 3.47Å; D172-L175 VanDerWaalsContact O-N 3.1Å; D172-K232 IonicContact OD1-NZ 3.74Å; D172-K232 WeakPolarHBondContact OD2-CD 3.47Å; D172-K232 IonicContact OD2-NZ 2.76Å; D172-K232 PolarHBondContact OD2-NZ 2.67Å; D172-V235 HydrophobicContact CB-CG1 3.67Å
173R87.2Confident90.1Very high204 Ų20457.7 Ų57.777%0.7727%0.273SS*.THydrogen-bonded Turntrans-67.1-13.7-177.4-65-176.3-179.5178.91113.3T169 L175T169-R173 WeakPolarHBondContact O-CA 3.36Å; T169-R173 PolarHBondContact O-N 3.17Å; R173-L175 VanDerWaalsContact C-N 3.27Å
174E86.9Confident90.3Very high137 Ų13756.4 Ų56.464%0.6427%0.267SS*.THydrogen-bonded Turntrans-80.8-9.6176.1-58.1-175.2164.900112.6D172 R176 K232D172-E174 PolarHBondContact O-N 3.15Å; D172-E174 VanDerWaalsContact O-N 3.16Å; D172-E174 VanDerWaalsContact OD1-CB 3.28Å; D172-E174 WeakPolarHBondContact OD1-CB 3.5Å; D172-E174 PolarHBondContact OD1-N 3.23Å; E174-R176 PolarHBondContact O-N 3.5Å; E174-K232 IonicContact OE2-NZ 2.68Å; E174-K232 PolarHBondContact OE2-NZ 2.87Å
175L87.5Confident90.5Very high7 Ų758.5 Ų58.54%0.03728%0.276CS..  trans-64.5122.5175.8-68174.9000110.6F168 D172 R173 F177 L224 K232 V235 L236F168-L175 HydrophobicContact CB-CD1 4.02Å; F168-L175 WeakPolarHBondContact O-CD1 3.25Å; D172-L175 HydrophobicContact CB-CD1 4.07Å; D172-L175 HydrophobicContact CB-CG 3.97Å; D172-L175 WeakPolarHBondContact O-CB 3.38Å; D172-L175 WeakPolarHBondContact O-CG 3.34Å; D172-L175 PolarHBondContact O-N 3.47Å; D172-L175 VanDerWaalsContact O-N 3.1Å; R173-L175 VanDerWaalsContact C-N 3.27Å; L175-F177 HydrophobicContact CB-CE2 4.35Å; L175-F177 HydrophobicContact CB-CZ 4.17Å; L175-F177 HydrophobicContact CD1-CZ 4.41Å; L175-L224 HydrophobicContact CD2-CD1 4.1Å; L175-L224 HydrophobicContact CD2-CD2 4.36Å; L175-K232 HydrophobicContact CD2-CB 3.67Å; L175-K232 HydrophobicContact CD2-CD 4.3Å; L175-K232 HydrophobicContact CD2-CG 4.1Å; L175-V235 HydrophobicContact CD1-CG1 4.24Å; L175-L236 HydrophobicContact CD1-CD1 3.64Å; L175-L236 HydrophobicContact CD2-CD1 3.55Å; L175-L236 HydrophobicContact CG-CD1 4.25Å
176R88.9Confident90.6Very high190 Ų19060.2 Ų60.272%0.71728%0.281SS*.  trans-127.2126.1173.5-63.6-174.9-177.9-1731.2108.7E174 S178E174-R176 PolarHBondContact O-N 3.5Å; R176-S178 PolarHBondContact O-N 2.89Å
177F92.1Very high90.8Very high29 Ų2957.6 Ų57.613%0.12727%0.265CS..  trans-100.960.2178.4-54.9-70.3000109.7A165 F168 L175 K180 L220 C223 L224 L236A165-F177 HydrophobicContact CB-CD2 3.74Å; A165-F177 HydrophobicContact CB-CE2 3.82Å; F168-F177 HydrophobicContact CB-CZ 4.08Å; F168-F177 HydrophobicContact CD2-CZ 4.2Å; L175-F177 HydrophobicContact CB-CE2 4.35Å; L175-F177 HydrophobicContact CB-CZ 4.17Å; L175-F177 HydrophobicContact CD1-CZ 4.41Å; F177-K180 HydrophobicContact CB-CB 4.39Å; F177-K180 WeakPolarHBondContact O-CB 3.18Å; F177-K180 PolarHBondContact O-N 3.23Å; F177-L220 HydrophobicContact CB-CD2 3.99Å; F177-L220 HydrophobicContact CD1-CB 4.01Å; F177-L220 HydrophobicContact CD1-CD2 3.61Å; F177-L220 HydrophobicContact CD1-CG 4.38Å; F177-L220 HydrophobicContact CD2-CD2 3.83Å; F177-L220 HydrophobicContact CE1-CB 3.82Å; F177-L220 HydrophobicContact CE1-CD2 4Å; F177-L220 HydrophobicContact CE1-CG 4.38Å; F177-L220 HydrophobicContact CE2-CD2 4.19Å; F177-L220 HydrophobicContact CG-CD2 3.52Å; F177-L220 HydrophobicContact CZ-CB 4.41Å; F177-L220 HydrophobicContact CZ-CD2 4.27Å; F177-C223 HydrophobicContact CB-CB 4.42Å; F177-C223 HydrophobicContact CD1-CB 4.38Å; F177-L224 HydrophobicContact CD1-CD2 4.24Å; F177-L224 HydrophobicContact CD1-CG 4.2Å; F177-L224 HydrophobicContact CE1-CD1 4.04Å; F177-L224 HydrophobicContact CE1-CD2 4.19Å; F177-L224 HydrophobicContact CE1-CG 4Å; F177-L236 HydrophobicContact CE1-CD2 3.94Å; F177-L236 HydrophobicContact CZ-CD2 4.25Å
178S88.6Confident91.2Very high55 Ų5557.2 Ų57.239%0.38526%0.263SS..THydrogen-bonded Turntrans-58.5147.5166.138.70000108.8R176 K180 N227R176-S178 PolarHBondContact O-N 2.89Å; S178-K180 VanDerWaalsContact C-N 3.29Å; S178-K180 PolarHBondContact O-N 3.38Å; S178-N227 PolarHBondContact O-ND2 3.02Å; S178-N227 PolarHBondContact OG-ND2 2.85Å; S178-N227 PolarHBondContact OG-OD1 3.38Å
179L93.8Very high91.3Very high63 Ų6357.9 Ų57.933%0.3327%0.268SS..THydrogen-bonded Turntrans73.86.2-174.3-46.1173.7000116.1N181 E182 V183 L226L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 2.78Å; L179-E182 WeakPolarHBondContact CA-OE2 3.11Å; L179-E182 PolarHBondContact O-N 3.23Å; L179-V183 HydrophobicContact CB-CG2 4.32Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; L179-L226 HydrophobicContact CD1-CB 4.04Å
180K95.2Very high91.5Very high36 Ų3659.4 Ų59.416%0.15727%0.271CS..Hα-helixtrans-52.9-47179.9178.1-16466.2-176.90112.3I161 E162 F177 S178 M184 C223I161-K180 HydrophobicContact CG2-CD 3.65Å; I161-K180 HydrophobicContact CG2-CG 3.7Å; E162-K180 IonicContact OE1-NZ 2.54Å; E162-K180 PolarHBondContact OE1-NZ 2.9Å; E162-K180 IonicContact OE2-NZ 3.24Å; E162-K180 PolarHBondContact OE2-NZ 3.48Å; F177-K180 HydrophobicContact CB-CB 4.39Å; F177-K180 WeakPolarHBondContact O-CB 3.18Å; F177-K180 PolarHBondContact O-N 3.23Å; S178-K180 VanDerWaalsContact C-N 3.29Å; S178-K180 PolarHBondContact O-N 3.38Å; K180-M184 WeakPolarHBondContact O-CB 3.44Å; K180-M184 PolarHBondContact O-N 3.12Å; K180-C223 VanDerWaalsContact CA-SG 3.59Å
181N94.5Very high91.7Very high44 Ų4458.1 Ų58.124%0.23526%0.26CS..Hα-helixtrans-71.3-36.2-175.5-69.72.2000111.1D54 F58 L179 F185D54-N181 PolarHBondContact OD2-ND2 2.75Å; F58-N181 HydrophobicContact CE2-CB 4.38Å; F58-N181 HydrophobicContact CZ-CB 4.39Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 2.78Å; N181-F185 WeakPolarHBondContact O-CB 2.91Å; N181-F185 PolarHBondContact O-N 3.01Å
182E95.1Very high91.8Very high114 Ų11455.9 Ų55.953%0.53325%0.254SS..Hα-helixtrans-67.7-47.6178.3-63.687.6152.800111.3L179 F185 Y186L179-E182 WeakPolarHBondContact CA-OE2 3.11Å; L179-E182 PolarHBondContact O-N 3.23Å; E182-F185 PolarHBondContact O-N 2.84Å; E182-Y186 WeakPolarHBondContact O-CB 3.48Å; E182-Y186 PolarHBondContact O-N 3.26Å
183V96.4Very high92Very high5 Ų559.2 Ų59.23%0.0327%0.265CS..Hα-helixtrans-66.4-40.3176.3178.60000110.4L179 Y186 V187 V219 L226 L258L179-V183 HydrophobicContact CB-CG2 4.32Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; V183-Y186 WeakPolarHBondContact O-CB 3.38Å; V183-Y186 PolarHBondContact O-N 2.98Å; V183-V187 WeakPolarHBondContact O-CG2 3.44Å; V183-V187 PolarHBondContact O-N 3.4Å; V183-V219 HydrophobicContact CB-CG1 4.17Å; V183-V219 HydrophobicContact CG1-CB 4.3Å; V183-V219 HydrophobicContact CG1-CG1 3.86Å; V183-V219 HydrophobicContact CG1-CG2 4.21Å; V183-L226 HydrophobicContact CG2-CD1 3.76Å; V183-L258 HydrophobicContact CG1-CD2 3.83Å; V183-L258 HydrophobicContact CG1-CG 4.48Å
184M94.9Very high92.2Very high1 Ų149.8 Ų49.81%0.00523%0.23CC..Hα-helixtrans-65.6-43.5176.2176.4170.448.300111.9F58 E158 I161 K180 Y186 V187 Y188F58-M184 HydrophobicContact CD1-CE 4.33Å; F58-M184 HydrophobicContact CD1-CG 4.34Å; F58-M184 HydrophobicContact CD1-SD 4.43Å; F58-M184 HydrophobicContact CD2-CE 3.3Å; F58-M184 HydrophobicContact CD2-SD 4.14Å; F58-M184 HydrophobicContact CE1-CE 4.16Å; F58-M184 HydrophobicContact CE1-CG 4.15Å; F58-M184 HydrophobicContact CE2-CE 3.1Å; F58-M184 HydrophobicContact CE2-SD 4.32Å; F58-M184 HydrophobicContact CG-CE 3.94Å; F58-M184 HydrophobicContact CG-SD 4.2Å; F58-M184 HydrophobicContact CZ-CE 3.57Å; F58-M184 HydrophobicContact CZ-CG 4.33Å; E158-M184 VanDerWaalsContact CA-SD 3.57Å; E158-M184 HydrophobicContact CB-CE 4.13Å; E158-M184 HydrophobicContact CB-SD 3.59Å; E158-M184 VanDerWaalsContact CB-SD 3.59Å; E158-M184 HydrophobicContact CG-CE 3.89Å; E158-M184 HydrophobicContact CG-SD 4.04Å; I161-M184 HydrophobicContact CD1-CB 4.27Å; I161-M184 HydrophobicContact CD1-CG 4.12Å; I161-M184 HydrophobicContact CD1-SD 3.78Å; K180-M184 WeakPolarHBondContact O-CB 3.44Å; K180-M184 PolarHBondContact O-N 3.12Å; M184-Y186 VanDerWaalsContact C-N 3.29Å; M184-Y186 PolarHBondContact O-N 3.24Å; M184-V187 WeakPolarHBondContact O-CB 3.27Å; M184-V187 PolarHBondContact O-N 3.47Å; M184-V187 VanDerWaalsContact O-N 3.09Å; M184-Y188 HydrophobicContact CG-CD2 3.91Å; M184-Y188 HydrophobicContact CG-CE2 3.48Å; M184-Y188 VanDerWaalsContact CG-CE2 3.48Å; M184-Y188 WeakPolarHBondContact O-CD2 3.38Å; M184-Y188 PolarHBondContact O-N 3.13Å; M184-Y188 HydrophobicContact SD-CE2 4Å
185F95.4Very high92.2Very high47 Ų4745 Ų4521%0.20621%0.209CC..Hα-helixtrans-57.2-45.4174.1178.3-105.3000111.1C40 D41 M44 F58 N181 E182 V187 Y188 C189C40-F185 HydrophobicContact CB-CD2 4.46Å; C40-F185 HydrophobicContact CB-CE2 3.61Å; C40-F185 HydrophobicContact CB-CZ 4.08Å; D41-F185 WeakPolarHBondContact OD1-CZ 3.42Å; M44-F185 HydrophobicContact CB-CE2 4.38Å; M44-F185 HydrophobicContact CG-CD2 3.65Å; M44-F185 HydrophobicContact CG-CE2 3.33Å; M44-F185 HydrophobicContact CG-CZ 4.29Å; M44-F185 HydrophobicContact SD-CD2 4.17Å; M44-F185 HydrophobicContact SD-CE2 4.43Å; F58-F185 HydrophobicContact CE1-CB 4.14Å; F58-F185 HydrophobicContact CE1-CD2 4.44Å; F58-F185 HydrophobicContact CZ-CB 4.37Å; N181-F185 WeakPolarHBondContact O-CB 2.91Å; N181-F185 PolarHBondContact O-N 3.01Å; E182-F185 PolarHBondContact O-N 2.84Å; F185-V187 VanDerWaalsContact C-N 3.32Å; F185-V187 PolarHBondContact O-N 3.46Å; F185-Y188 PolarHBondContact O-N 3.38Å; F185-Y188 VanDerWaalsContact O-N 3.15Å; F185-C189 VanDerWaalsContact CE1-SG 3.58Å; F185-C189 WeakPolarHBondContact CZ-SG 3.35Å; F185-C189 PolarHBondContact O-N 3.48Å; F185-C189 PolarHBondContact O-SG 3.27Å; F185-C189 VanDerWaalsContact O-SG 3.4Å
186Y95.1Very high92.3Very high45 Ų4546.9 Ų46.918%0.17623%0.225CC..Hα-helixtrans-56.9-44.7173.5-178.3-80.7000112.2E182 V183 M184 Y188 C189 K190 L258 S261 I262E182-Y186 WeakPolarHBondContact O-CB 3.48Å; E182-Y186 PolarHBondContact O-N 3.26Å; V183-Y186 WeakPolarHBondContact O-CB 3.38Å; V183-Y186 PolarHBondContact O-N 2.98Å; M184-Y186 VanDerWaalsContact C-N 3.29Å; M184-Y186 PolarHBondContact O-N 3.24Å; Y186-Y188 VanDerWaalsContact C-N 3.32Å; Y186-Y188 PolarHBondContact O-N 3.35Å; Y186-C189 PolarHBondContact O-N 3.19Å; Y186-K190 HydrophobicContact CD1-CG 4.47Å; Y186-K190 HydrophobicContact CE1-CB 3.98Å; Y186-K190 HydrophobicContact CE1-CG 3.82Å; Y186-K190 HydrophobicContact CE2-CG 3.96Å; Y186-K190 PolarHBondContact O-N 3.38Å; Y186-K190 WeakPolarHBondContact OH-CG 3.43Å; Y186-L258 HydrophobicContact CD1-CD1 3.74Å; Y186-L258 HydrophobicContact CE1-CD1 3.99Å; Y186-S261 WeakPolarHBondContact CE1-OG 3.19Å; Y186-S261 WeakPolarHBondContact OH-CA 3.33Å; Y186-S261 WeakPolarHBondContact OH-CB 3.28Å; Y186-S261 PolarHBondContact OH-O 2.87Å; Y186-S261 PolarHBondContact OH-OG 2.86Å; Y186-I262 HydrophobicContact CD1-CD1 4.43Å; Y186-I262 HydrophobicContact CD1-CG1 3.74Å; Y186-I262 HydrophobicContact CD2-CG1 4.04Å; Y186-I262 HydrophobicContact CE1-CG1 3.8Å; Y186-I262 HydrophobicContact CE2-CB 4.49Å; Y186-I262 HydrophobicContact CE2-CG1 4.02Å; Y186-I262 HydrophobicContact CG-CG1 3.91Å; Y186-I262 PolarHBondContact OH-N 3.12Å
187V94.7Very high92.5Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-58.5-42.1176.2169.80000111.7L157 V183 M184 F185 Y191 L194 V219 L258L157-V187 HydrophobicContact CD2-CB 4.48Å; L157-V187 HydrophobicContact CD2-CG1 3.71Å; V183-V187 WeakPolarHBondContact O-CG2 3.44Å; V183-V187 PolarHBondContact O-N 3.4Å; M184-V187 WeakPolarHBondContact O-CB 3.27Å; M184-V187 PolarHBondContact O-N 3.47Å; M184-V187 VanDerWaalsContact O-N 3.09Å; F185-V187 VanDerWaalsContact C-N 3.32Å; F185-V187 PolarHBondContact O-N 3.46Å; V187-Y191 HydrophobicContact CG1-CD2 4.47Å; V187-Y191 WeakPolarHBondContact O-CA 3.43Å; V187-Y191 VanDerWaalsContact O-CB 3.31Å; V187-Y191 WeakPolarHBondContact O-CB 3.3Å; V187-Y191 PolarHBondContact O-N 3.32Å; V187-L194 HydrophobicContact CB-CD1 4.18Å; V187-L194 HydrophobicContact CG1-CD1 4.05Å; V187-L194 HydrophobicContact CG2-CD1 4.02Å; V187-V219 HydrophobicContact CG2-CG2 3.72Å; V187-L258 HydrophobicContact CG2-CD1 3.51Å; V187-L258 HydrophobicContact CG2-CD2 3.81Å; V187-L258 HydrophobicContact CG2-CG 4.34Å
188Y93.9Very high92.4Very high1 Ų138 Ų380%0.00419%0.192CC..Hα-helixtrans-63.2-51.2175.2-75.1-72.7000111.4Y35 F58 I61 E62 M184 F185 Y186 K190 Y191Y35-Y188 VanDerWaalsContact CB-O 3.29Å; Y35-Y188 WeakPolarHBondContact CB-O 3.4Å; Y35-Y188 AromaticContact CD2-CD1 3.87Å; Y35-Y188 HydrophobicContact CD2-CD1 3.87Å; Y35-Y188 HydrophobicContact CE1-CD1 4.49Å; Y35-Y188 AromaticContact CE2-CD1 3.54Å; Y35-Y188 HydrophobicContact CE2-CD1 3.54Å; Y35-Y188 AromaticContact CE2-CE1 3.99Å; Y35-Y188 HydrophobicContact CE2-CE1 3.99Å; Y35-Y188 AromaticContact CZ-CD1 3.92Å; F58-Y188 HydrophobicContact CB-CE2 4.06Å; F58-Y188 AromaticContact CD1-CD2 3.54Å; F58-Y188 HydrophobicContact CD1-CD2 3.54Å; F58-Y188 AromaticContact CD1-CE2 3.24Å; F58-Y188 HydrophobicContact CD1-CE2 3.24Å; F58-Y188 AromaticContact CE1-CD2 3.87Å; F58-Y188 HydrophobicContact CE1-CD2 3.87Å; F58-Y188 AromaticContact CE1-CE2 3.92Å; F58-Y188 HydrophobicContact CE1-CE2 3.92Å; F58-Y188 AromaticContact CG-CE2 3.89Å; F58-Y188 HydrophobicContact CG-CE2 3.89Å; I61-Y188 HydrophobicContact CG2-CD1 3.69Å; I61-Y188 HydrophobicContact CG2-CE1 4.15Å; I61-Y188 HydrophobicContact CG2-CG 4.25Å; E62-Y188 HydrophobicContact CG-CE1 3.66Å; E62-Y188 PolarHBondContact OE1-OH 3.08Å; M184-Y188 HydrophobicContact CG-CD2 3.91Å; M184-Y188 HydrophobicContact CG-CE2 3.48Å; M184-Y188 VanDerWaalsContact CG-CE2 3.48Å; M184-Y188 WeakPolarHBondContact O-CD2 3.38Å; M184-Y188 PolarHBondContact O-N 3.13Å; M184-Y188 HydrophobicContact SD-CE2 4Å; F185-Y188 PolarHBondContact O-N 3.38Å; F185-Y188 VanDerWaalsContact O-N 3.15Å; Y186-Y188 VanDerWaalsContact C-N 3.32Å; Y186-Y188 PolarHBondContact O-N 3.35Å; Y188-K190 VanDerWaalsContact C-N 3.26Å; Y188-K190 PolarHBondContact O-N 3.2Å; Y188-Y191 WeakPolarHBondContact O-CB 3.33Å; Y188-Y191 PolarHBondContact O-N 3.35Å
189C92.3Very high92.5Very high15 Ų1542.3 Ų42.310%0.10120%0.204CC..Hα-helixtrans-58.4-36.7-178.6-68.40000113.2E37 C40 F185 Y186E37-C189 HydrophobicContact CB-CB 4.45Å; C40-C189 WeakPolarHBondContact CB-SG 3.25Å; F185-C189 VanDerWaalsContact CE1-SG 3.58Å; F185-C189 WeakPolarHBondContact CZ-SG 3.35Å; F185-C189 PolarHBondContact O-N 3.48Å; F185-C189 PolarHBondContact O-SG 3.27Å; F185-C189 VanDerWaalsContact O-SG 3.4Å; Y186-C189 PolarHBondContact O-N 3.19Å
190K91.7Very high92.3Very high71 Ų7146.1 Ų46.131%0.30922%0.218SC..THydrogen-bonded Turntrans-107.616.8-177.1-56.3-54.9-169.4-163.80113.5E37 Y186 Y188 N192 Y193 L194E37-K190 IonicContact OE2-NZ 2.76Å; E37-K190 PolarHBondContact OE2-NZ 3.28Å; Y186-K190 HydrophobicContact CD1-CG 4.47Å; Y186-K190 HydrophobicContact CE1-CB 3.98Å; Y186-K190 HydrophobicContact CE1-CG 3.82Å; Y186-K190 HydrophobicContact CE2-CG 3.96Å; Y186-K190 PolarHBondContact O-N 3.38Å; Y186-K190 WeakPolarHBondContact OH-CG 3.43Å; Y188-K190 VanDerWaalsContact C-N 3.26Å; Y188-K190 PolarHBondContact O-N 3.2Å; K190-N192 VanDerWaalsContact C-N 3.29Å; K190-N192 PolarHBondContact O-N 3.05Å; K190-Y193 WeakPolarHBondContact O-CB 3.44Å; K190-Y193 PolarHBondContact O-N 2.63Å; K190-L194 HydrophobicContact CB-CG 4.46Å; K190-L194 WeakPolarHBondContact O-CG 3.33Å; K190-L194 PolarHBondContact O-N 3.14Å
191Y90.6Very high92.1Very high9 Ų949.7 Ų49.74%0.03523%0.231CC..Hα-helixtrans-55.7-43.2-173.6-171.9-83.2000112.7R31 Y35 V187 Y188 Y193 L194 N195 L215R31-Y191 HydrophobicContact CB-CE1 4.41Å; R31-Y191 HydrophobicContact CG-CE1 4.37Å; R31-Y191 HydrophobicContact CG-CE2 4.4Å; R31-Y191 WeakPolarHBondContact O-CD1 3.39Å; R31-Y191 WeakPolarHBondContact O-CE1 3.46Å; Y35-Y191 HydrophobicContact CD2-CD1 4.34Å; Y35-Y191 HydrophobicContact CD2-CD2 4.18Å; Y35-Y191 AromaticContact CD2-CG 3.76Å; Y35-Y191 HydrophobicContact CD2-CG 3.76Å; Y35-Y191 HydrophobicContact CE2-CD2 4.06Å; Y35-Y191 HydrophobicContact CE2-CG 4.02Å; V187-Y191 HydrophobicContact CG1-CD2 4.47Å; V187-Y191 WeakPolarHBondContact O-CA 3.43Å; V187-Y191 VanDerWaalsContact O-CB 3.31Å; V187-Y191 WeakPolarHBondContact O-CB 3.3Å; V187-Y191 PolarHBondContact O-N 3.32Å; Y188-Y191 WeakPolarHBondContact O-CB 3.33Å; Y188-Y191 PolarHBondContact O-N 3.35Å; Y191-Y193 VanDerWaalsContact C-N 3.32Å; Y191-Y193 PolarHBondContact O-N 3.32Å; Y191-L194 PolarHBondContact O-N 3.27Å; Y191-N195 HydrophobicContact CD1-CB 4.2Å; Y191-N195 HydrophobicContact CE1-CB 3.96Å; Y191-N195 WeakPolarHBondContact O-CB 3.47Å; Y191-N195 PolarHBondContact O-N 3.15Å; Y191-L215 HydrophobicContact CE2-CD1 3.84Å
192N86.6Confident91.8Very high71 Ų7154.6 Ų54.638%0.3826%0.258SS..Hα-helixtrans-60.2-41.4179.1-77.5-40.7000112.4G32 L33 Y35 K190 A196G32-N192 PolarHBondContact O-ND2 3.41Å; G32-N192 PolarHBondContact O-OD1 3.41Å; G32-N192 VanDerWaalsContact O-OD1 3.14Å; L33-N192 PolarHBondContact O-ND2 3.23Å; Y35-N192 PolarHBondContact O-ND2 3.32Å; K190-N192 VanDerWaalsContact C-N 3.29Å; K190-N192 PolarHBondContact O-N 3.05Å; N192-A196 PolarHBondContact O-N 3.23Å; N192-A196 VanDerWaalsContact O-N 3.15Å
193Y89.8Confident91.5Very high100 Ų10049.4 Ų49.439%0.39223%0.233SC..Hα-helixtrans-65.2-51173.6169.5-93000111.1K190 Y191 N195 A196 E197K190-Y193 WeakPolarHBondContact O-CB 3.44Å; K190-Y193 PolarHBondContact O-N 2.63Å; Y191-Y193 VanDerWaalsContact C-N 3.32Å; Y191-Y193 PolarHBondContact O-N 3.32Å; Y193-N195 VanDerWaalsContact C-N 3.31Å; Y193-N195 PolarHBondContact O-N 2.87Å; Y193-A196 WeakPolarHBondContact O-CB 3.25Å; Y193-A196 PolarHBondContact O-N 3.32Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; Y193-E197 HydrophobicContact CD1-CG 4.39Å; Y193-E197 HydrophobicContact CD2-CG 4.49Å; Y193-E197 HydrophobicContact CE1-CG 3.83Å; Y193-E197 HydrophobicContact CE2-CG 3.98Å; Y193-E197 PolarHBondContact O-N 3.44Å
194L91.4Very high90.6Very high5 Ų551.8 Ų51.83%0.02625%0.246CC..Hα-helixtrans-59.5-42.4-179.6-67.1172.9000111.5V187 K190 Y191 A196 E197 L198 I257 L258V187-L194 HydrophobicContact CB-CD1 4.18Å; V187-L194 HydrophobicContact CG1-CD1 4.05Å; V187-L194 HydrophobicContact CG2-CD1 4.02Å; K190-L194 HydrophobicContact CB-CG 4.46Å; K190-L194 WeakPolarHBondContact O-CG 3.33Å; K190-L194 PolarHBondContact O-N 3.14Å; Y191-L194 PolarHBondContact O-N 3.27Å; L194-A196 PolarHBondContact O-N 3.15Å; L194-E197 PolarHBondContact O-N 2.9Å; L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 2.86Å; L194-I257 HydrophobicContact CD2-CG2 3.91Å; L194-L258 HydrophobicContact CD1-CD1 3.97Å; L194-L258 HydrophobicContact CD2-CD1 4.23Å
195N88.1Confident89.6Confident37 Ų3754.7 Ų54.720%0.19826%0.259CS..Hα-helixtrans-62.2-42.3177.7-170.545.3000111.4Y191 Y193 K199 L204Y191-N195 HydrophobicContact CD1-CB 4.2Å; Y191-N195 HydrophobicContact CE1-CB 3.96Å; Y191-N195 WeakPolarHBondContact O-CB 3.47Å; Y191-N195 PolarHBondContact O-N 3.15Å; Y193-N195 VanDerWaalsContact C-N 3.31Å; Y193-N195 PolarHBondContact O-N 2.87Å; N195-K199 WeakPolarHBondContact O-CB 3.46Å; N195-K199 PolarHBondContact O-N 3.44Å; N195-L204 VanDerWaalsContact OD1-CD1 3.27Å; N195-L204 WeakPolarHBondContact OD1-CD1 3.34Å; N195-L204 WeakPolarHBondContact OD1-CD2 3.24Å
196A88.9Confident88.4Confident47 Ų4762.5 Ų62.539%0.38829%0.292SS..Hα-helixtrans-63.7-43.4175.200000112N192 Y193 L194 K199 K200N192-A196 PolarHBondContact O-N 3.23Å; N192-A196 VanDerWaalsContact O-N 3.15Å; Y193-A196 WeakPolarHBondContact O-CB 3.25Å; Y193-A196 PolarHBondContact O-N 3.32Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; L194-A196 PolarHBondContact O-N 3.15Å; A196-K199 WeakPolarHBondContact O-CB 3.43Å; A196-K199 PolarHBondContact O-N 2.93Å; A196-K200 WeakPolarHBondContact O-CG 3.26Å; A196-K200 PolarHBondContact O-N 3.32Å
197E92.7Very high87.5Confident28 Ų2861.9 Ų61.913%0.13130%0.295CS..Hα-helixtrans-65.7-47.1176.1-68.4-56.4120.500111.8Y193 L194 K199 K200 Y201 I257Y193-E197 HydrophobicContact CD1-CG 4.39Å; Y193-E197 HydrophobicContact CD2-CG 4.49Å; Y193-E197 HydrophobicContact CE1-CG 3.83Å; Y193-E197 HydrophobicContact CE2-CG 3.98Å; Y193-E197 PolarHBondContact O-N 3.44Å; L194-E197 PolarHBondContact O-N 2.9Å; E197-K199 PolarHBondContact O-N 3.44Å; E197-K200 WeakPolarHBondContact O-CB 3.4Å; E197-K200 PolarHBondContact O-N 3.2Å; E197-K200 WeakPolarHBondContact OE1-CE 3.33Å; E197-K200 IonicContact OE1-NZ 3.61Å; E197-K200 PolarHBondContact OE1-NZ 3.46Å; E197-K200 IonicContact OE2-NZ 3.72Å; E197-Y201 VanDerWaalsContact O-CD2 3.25Å; E197-Y201 WeakPolarHBondContact O-CD2 3.36Å; E197-Y201 PolarHBondContact O-N 2.92Å; E197-I257 HydrophobicContact CB-CD1 4.44Å; E197-I257 HydrophobicContact CB-CG2 3.57Å; E197-I257 HydrophobicContact CG-CG2 4.22Å
198L91.5Very high86.7Confident4 Ų462.9 Ų62.92%0.02130%0.302CS..Hα-helixtrans-57-38.3175.9-71.6173.6000111.9L194 Y201 N202 L203 L204 L214 L215 A254 I257L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 2.86Å; L198-Y201 PolarHBondContact O-N 2.98Å; L198-N202 PolarHBondContact O-N 3.17Å; L198-L203 HydrophobicContact CB-CB 4.32Å; L198-L203 HydrophobicContact CD2-CB 3.97Å; L198-L203 HydrophobicContact CD2-CD1 3.76Å; L198-L203 PolarHBondContact O-N 3.23Å; L198-L204 HydrophobicContact CB-CD2 3.95Å; L198-L204 HydrophobicContact CB-CG 4.16Å; L198-L204 HydrophobicContact CD1-CD2 4.29Å; L198-L214 HydrophobicContact CD2-CD2 4.18Å; L198-L215 HydrophobicContact CD1-CD2 3.73Å; L198-L215 HydrophobicContact CD1-CG 4.3Å; L198-A254 HydrophobicContact CD2-CB 3.85Å; L198-I257 HydrophobicContact CD2-CD1 3.99Å
199K89.1Confident86.1Confident146 Ų14663 Ų6364%0.63530%0.303SS*.Hα-helixtrans-63-41.5174.8-168.2176.3178.4-179.60112.3N195 A196 E197 Y201 N202 L204N195-K199 WeakPolarHBondContact O-CB 3.46Å; N195-K199 PolarHBondContact O-N 3.44Å; A196-K199 WeakPolarHBondContact O-CB 3.43Å; A196-K199 PolarHBondContact O-N 2.93Å; E197-K199 PolarHBondContact O-N 3.44Å; K199-Y201 PolarHBondContact O-N 2.85Å; K199-N202 PolarHBondContact O-N 3.33Å; K199-L204 HydrophobicContact CB-CD1 3.71Å; K199-L204 HydrophobicContact CB-CG 4.44Å; K199-L204 HydrophobicContact CG-CD1 4.16Å
200K91.3Very high85.7Confident142 Ų14264.8 Ų64.862%0.61731%0.31SS*.Hα-helixtrans-59.2-32.9177-69.3172.9-175.8173.30112.4A196 E197A196-K200 WeakPolarHBondContact O-CG 3.26Å; A196-K200 PolarHBondContact O-N 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.4Å; E197-K200 PolarHBondContact O-N 3.2Å; E197-K200 WeakPolarHBondContact OE1-CE 3.33Å; E197-K200 IonicContact OE1-NZ 3.61Å; E197-K200 PolarHBondContact OE1-NZ 3.46Å; E197-K200 IonicContact OE2-NZ 3.72Å
201Y89.8Confident85.5Confident111 Ų11161.8 Ų61.844%0.43530%0.297SS..THydrogen-bonded Turntrans-91.97.7177.8-68-79.4000114.1E197 L198 K199 L203 I257E197-Y201 VanDerWaalsContact O-CD2 3.25Å; E197-Y201 WeakPolarHBondContact O-CD2 3.36Å; E197-Y201 PolarHBondContact O-N 2.92Å; L198-Y201 PolarHBondContact O-N 2.98Å; K199-Y201 PolarHBondContact O-N 2.85Å; Y201-L203 PolarHBondContact O-N 3.42Å; Y201-I257 HydrophobicContact CD2-CD1 3.52Å; Y201-I257 HydrophobicContact CD2-CG1 4.29Å; Y201-I257 HydrophobicContact CE2-CD1 3.88Å; Y201-I257 HydrophobicContact CE2-CG1 4.14Å; Y201-I257 HydrophobicContact CG-CD1 4.37Å
202N89.2Confident85.4Confident148 Ų14861.5 Ų61.579%0.79130%0.296SS*.THydrogen-bonded Turntrans54.735.1-175.1-63.2-48000113.7L198 K199L198-N202 PolarHBondContact O-N 3.17Å; K199-N202 PolarHBondContact O-N 3.33Å
203L87.5Confident85.6Confident4 Ų458.2 Ų58.22%0.02128%0.279CS..  trans-93.1-3.2-178.7-61.4177.9000113.4L198 Y201 F205 L214 D250 K253 I257L198-L203 HydrophobicContact CB-CB 4.32Å; L198-L203 HydrophobicContact CD2-CB 3.97Å; L198-L203 HydrophobicContact CD2-CD1 3.76Å; L198-L203 PolarHBondContact O-N 3.23Å; Y201-L203 PolarHBondContact O-N 3.42Å; L203-F205 WeakPolarHBondContact O-CD2 3.39Å; L203-F205 WeakPolarHBondContact O-CE2 3.43Å; L203-F205 PolarHBondContact O-N 3.19Å; L203-L214 HydrophobicContact CB-CD2 3.91Å; L203-L214 WeakPolarHBondContact O-CD2 3.37Å; L203-D250 HydrophobicContact CD2-CB 3.77Å; L203-D250 VanDerWaalsContact CD2-OD1 3.28Å; L203-D250 WeakPolarHBondContact CD2-OD1 3.35Å; L203-K253 HydrophobicContact CD1-CB 3.81Å; L203-K253 HydrophobicContact CD1-CD 4.44Å; L203-K253 HydrophobicContact CD2-CD 4.34Å; L203-I257 HydrophobicContact CD1-CD1 4.23Å
204L78.3Confident85.8Confident56 Ų5653.5 Ų53.529%0.29326%0.26SS..  trans-82.4115.9175.1-66179.8000110.3N195 L198 K199 T211N195-L204 VanDerWaalsContact OD1-CD1 3.27Å; N195-L204 WeakPolarHBondContact OD1-CD1 3.34Å; N195-L204 WeakPolarHBondContact OD1-CD2 3.24Å; L198-L204 HydrophobicContact CB-CD2 3.95Å; L198-L204 HydrophobicContact CB-CG 4.16Å; L198-L204 HydrophobicContact CD1-CD2 4.29Å; K199-L204 HydrophobicContact CB-CD1 3.71Å; K199-L204 HydrophobicContact CB-CG 4.44Å; K199-L204 HydrophobicContact CG-CD1 4.16Å; L204-T211 HydrophobicContact CD2-CG2 4.07Å
205F73.5Confident85.9Confident61 Ų6153.7 Ų53.727%0.26826%0.261SS..  trans-84.6158.9179.4-61.8-81000111.5L203 S207 H210 L214 V246L203-F205 WeakPolarHBondContact O-CD2 3.39Å; L203-F205 WeakPolarHBondContact O-CE2 3.43Å; L203-F205 PolarHBondContact O-N 3.19Å; F205-S207 PolarHBondContact O-N 3.49Å; F205-H210 HydrophobicContact CB-CB 3.41Å; F205-H210 VanDerWaalsContact CB-CB 3.41Å; F205-H210 HydrophobicContact CD1-CB 4.26Å; F205-H210 HydrophobicContact CD2-CB 3.63Å; F205-H210 HydrophobicContact CE2-CB 4.45Å; F205-H210 HydrophobicContact CG-CB 3.51Å; F205-L214 HydrophobicContact CE2-CB 4.18Å; F205-L214 HydrophobicContact CE2-CD2 4.02Å; F205-L214 HydrophobicContact CE2-CG 4.48Å; F205-V246 HydrophobicContact CE2-CG1 4.01Å; F205-V246 HydrophobicContact CZ-CG1 4.1Å
206K71.1Confident86.2Confident211 Ų21152 Ų5292%0.91725%0.252SS*.SBendtrans-66.2-20.5177.3-65.7-176.9-180177.90113.5
207S76.1Confident86.5Confident32 Ų3249.7 Ų49.722%0.22423%0.233CC..SBendtrans-109.7132.5178.81540000109.8N17 F205 T209 H210 T211N17-S207 PolarHBondContact OD1-OG 2.98Å; F205-S207 PolarHBondContact O-N 3.49Å; S207-T209 PolarHBondContact O-N 3.4Å; S207-T209 WeakPolarHBondContact OG-CB 3.46Å; S207-T209 PolarHBondContact OG-N 3.3Å; S207-H210 VanDerWaalsContact CB-ND1 3.33Å; S207-H210 WeakPolarHBondContact CB-ND1 3.47Å; S207-H210 PolarHBondContact O-N 3.47Å; S207-H210 VanDerWaalsContact O-N 3.12Å; S207-H210 PolarHBondContact OG-ND1 3.43Å; S207-T211 PolarHBondContact O-N 2.83Å
208S77.8Confident86.6Confident22 Ų2248.4 Ų48.415%0.15423%0.227CC..Hα-helixtrans-57.6-31.4175.550.10000113.3Y154 H210 T211 L212Y154-S208 WeakPolarHBondContact OH-CB 3.38Å; Y154-S208 PolarHBondContact OH-OG 2.79Å; S208-H210 VanDerWaalsContact C-N 3.34Å; S208-T211 PolarHBondContact O-N 3.06Å; S208-L212 WeakPolarHBondContact O-CB 3.48Å; S208-L212 WeakPolarHBondContact O-CG 2.88Å; S208-L212 PolarHBondContact O-N 3.02Å
209T81.2Confident86.9Confident4 Ų448.2 Ų48.23%0.02523%0.226CC..Hα-helixtrans-65.6-38.4178.3-570000111.5W12 S16 N17 S207 L212 I213W12-T209 HydrophobicContact CH2-CG2 4.5Å; W12-T209 HydrophobicContact CZ3-CG2 4.13Å; S16-T209 PolarHBondContact O-OG1 3.28Å; N17-T209 VanDerWaalsContact OD1-CB 3.31Å; N17-T209 WeakPolarHBondContact OD1-CB 3.44Å; N17-T209 PolarHBondContact OD1-OG1 2.98Å; S207-T209 PolarHBondContact O-N 3.4Å; S207-T209 WeakPolarHBondContact OG-CB 3.46Å; S207-T209 PolarHBondContact OG-N 3.3Å; T209-L212 WeakPolarHBondContact O-CB 3.42Å; T209-L212 PolarHBondContact O-N 3.16Å; T209-I213 HydrophobicContact CG2-CD1 3.96Å; T209-I213 WeakPolarHBondContact O-CD1 3.41Å; T209-I213 WeakPolarHBondContact O-CG1 3.5Å; T209-I213 PolarHBondContact O-N 2.85Å
210H84.4Confident87.2Confident52 Ų5241.2 Ų41.224%0.24120%0.196CC..Hα-helixtrans-69.2-42176.9-67.871.5000110.8F205 S207 S208 L212 I213 L214 I245F205-H210 HydrophobicContact CB-CB 3.41Å; F205-H210 VanDerWaalsContact CB-CB 3.41Å; F205-H210 HydrophobicContact CD1-CB 4.26Å; F205-H210 HydrophobicContact CD2-CB 3.63Å; F205-H210 HydrophobicContact CE2-CB 4.45Å; F205-H210 HydrophobicContact CG-CB 3.51Å; S207-H210 VanDerWaalsContact CB-ND1 3.33Å; S207-H210 WeakPolarHBondContact CB-ND1 3.47Å; S207-H210 PolarHBondContact O-N 3.47Å; S207-H210 VanDerWaalsContact O-N 3.12Å; S207-H210 PolarHBondContact OG-ND1 3.43Å; S208-H210 VanDerWaalsContact C-N 3.34Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 2.93Å; H210-I213 PolarHBondContact O-N 3.49Å; H210-L214 WeakPolarHBondContact O-CB 3.47Å; H210-L214 PolarHBondContact O-N 3.03Å; H210-I245 VanDerWaalsContact CD2-CG2 3.44Å; H210-I245 WeakPolarHBondContact CD2-CG2 3.19Å
211T86.4Confident87.5Confident8 Ų834.5 Ų34.55%0.04917%0.166CC..Hα-helixtrans-61.2-40.7173.7-55.10000111.6L204 S207 S208 L214 L215L204-T211 HydrophobicContact CD2-CG2 4.07Å; S207-T211 PolarHBondContact O-N 2.83Å; S208-T211 PolarHBondContact O-N 3.06Å; T211-L214 PolarHBondContact O-N 3.29Å; T211-L215 HydrophobicContact CG2-CD1 4.14Å; T211-L215 WeakPolarHBondContact O-CB 3.43Å; T211-L215 WeakPolarHBondContact O-CG 3.07Å; T211-L215 PolarHBondContact O-N 3.46Å
212L89.2Confident87.8Confident3 Ų329.2 Ų29.22%0.01615%0.146CC..Hα-helixtrans-60.5-48174.2-88.1175.3000112.8R31 L157 C160 S208 T209 H210 L214 L215 G216R31-L212 VanDerWaalsContact NH2-CD2 3.31Å; L157-L212 VanDerWaalsContact CA-CD2 3.4Å; L157-L212 HydrophobicContact CB-CD2 3.74Å; L157-L212 HydrophobicContact CD1-CD2 3.92Å; L157-L212 HydrophobicContact CG-CD2 4.46Å; C160-L212 HydrophobicContact CB-CB 4.37Å; C160-L212 HydrophobicContact CB-CD2 4.37Å; S208-L212 WeakPolarHBondContact O-CB 3.48Å; S208-L212 WeakPolarHBondContact O-CG 2.88Å; S208-L212 PolarHBondContact O-N 3.02Å; T209-L212 WeakPolarHBondContact O-CB 3.42Å; T209-L212 PolarHBondContact O-N 3.16Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 2.93Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L215 PolarHBondContact O-N 3.38Å; L212-G216 WeakPolarHBondContact O-CA 3.49Å; L212-G216 PolarHBondContact O-N 3.49Å
213I90.5Very high88.1Confident2 Ų222.1 Ų22.11%0.0111%0.108CC..Hα-helixtrans-65.5-40.4179-68.5163.7000110.7W12 L13 T209 H210 S217 I245 V246W12-I213 HydrophobicContact CH2-CG1 4.36Å; W12-I213 HydrophobicContact CZ3-CD1 4.07Å; W12-I213 HydrophobicContact CZ3-CG1 4.16Å; L13-I213 HydrophobicContact CD2-CD1 3.7Å; T209-I213 HydrophobicContact CG2-CD1 3.96Å; T209-I213 WeakPolarHBondContact O-CD1 3.41Å; T209-I213 WeakPolarHBondContact O-CG1 3.5Å; T209-I213 PolarHBondContact O-N 2.85Å; H210-I213 PolarHBondContact O-N 3.49Å; I213-S217 WeakPolarHBondContact O-CB 3.4Å; I213-S217 PolarHBondContact O-N 3.43Å; I213-S217 PolarHBondContact O-OG 3Å; I213-I245 HydrophobicContact CD1-CD1 3.71Å; I213-I245 HydrophobicContact CD1-CG2 3.9Å; I213-V246 HydrophobicContact CG2-CG1 4.27Å; I213-V246 HydrophobicContact CG2-CG2 4.07Å
214L92.9Very high88.4Confident0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-60.5-54.7176.2178.871.2000110.9L198 L203 F205 H210 T211 L212 S217 A218 V246 D250 V251 A254L198-L214 HydrophobicContact CD2-CD2 4.18Å; L203-L214 HydrophobicContact CB-CD2 3.91Å; L203-L214 WeakPolarHBondContact O-CD2 3.37Å; F205-L214 HydrophobicContact CE2-CB 4.18Å; F205-L214 HydrophobicContact CE2-CD2 4.02Å; F205-L214 HydrophobicContact CE2-CG 4.48Å; H210-L214 WeakPolarHBondContact O-CB 3.47Å; H210-L214 PolarHBondContact O-N 3.03Å; T211-L214 PolarHBondContact O-N 3.29Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L214-S217 PolarHBondContact O-N 2.88Å; L214-A218 WeakPolarHBondContact O-CB 3.3Å; L214-A218 PolarHBondContact O-N 3.45Å; L214-V246 HydrophobicContact CB-CG1 4.43Å; L214-D250 HydrophobicContact CD1-CB 4Å; L214-V251 HydrophobicContact CD1-CG2 4.12Å; L214-A254 HydrophobicContact CD1-CB 3.93Å; L214-A254 HydrophobicContact CD2-CB 4.22Å; L214-A254 HydrophobicContact CG-CB 3.93Å
215L94Very high89.2Confident10 Ų1021.8 Ų21.85%0.05211%0.106CC..Hα-helixtrans-63-44.5179.7-78.1175000111.4L157 Y191 L198 T211 L212 S217 A218 V219L157-L215 HydrophobicContact CD1-CB 3.89Å; Y191-L215 HydrophobicContact CE2-CD1 3.84Å; L198-L215 HydrophobicContact CD1-CD2 3.73Å; L198-L215 HydrophobicContact CD1-CG 4.3Å; T211-L215 HydrophobicContact CG2-CD1 4.14Å; T211-L215 WeakPolarHBondContact O-CB 3.43Å; T211-L215 WeakPolarHBondContact O-CG 3.07Å; T211-L215 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 3.38Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.42Å; L215-A218 WeakPolarHBondContact O-CB 3.38Å; L215-A218 PolarHBondContact O-N 3.15Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L215-V219 WeakPolarHBondContact O-CG2 3.29Å; L215-V219 PolarHBondContact O-N 3.34Å
216G94.8Very high90.2Very high0 Ų022.3 Ų22.30%011%0.111CC..Hα-helixtrans-63.1-41.8179.300000112.2I161 L212 V219 L220I161-G216 VanDerWaalsContact CG1-CA 3.48Å; L212-G216 WeakPolarHBondContact O-CA 3.49Å; L212-G216 PolarHBondContact O-N 3.49Å; G216-V219 PolarHBondContact O-N 2.88Å; G216-L220 WeakPolarHBondContact O-CG 3.31Å; G216-L220 PolarHBondContact O-N 2.95Å; G216-L220 VanDerWaalsContact O-N 3.13Å
217S94.9Very high91.2Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-63.2-43.3172.5-57.80000111.2I213 L214 L215 V219 L220 F221I213-S217 WeakPolarHBondContact O-CB 3.4Å; I213-S217 PolarHBondContact O-N 3.43Å; I213-S217 PolarHBondContact O-OG 3Å; L214-S217 PolarHBondContact O-N 2.88Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.42Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 2.91Å; S217-L220 PolarHBondContact O-N 3.18Å; S217-F221 WeakPolarHBondContact O-CD2 3.36Å; S217-F221 PolarHBondContact O-N 3.06Å
218A95.9Very high91.8Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-62.4-38.1178.200000112.7L214 L215 S222 A254 T255L214-A218 WeakPolarHBondContact O-CB 3.3Å; L214-A218 PolarHBondContact O-N 3.45Å; L215-A218 WeakPolarHBondContact O-CB 3.38Å; L215-A218 PolarHBondContact O-N 3.15Å; L215-A218 VanDerWaalsContact O-N 3.15Å; A218-S222 VanDerWaalsContact O-CB 3.31Å; A218-S222 WeakPolarHBondContact O-CB 3.5Å; A218-S222 PolarHBondContact O-N 3.34Å; A218-S222 PolarHBondContact O-OG 3.46Å; A218-A254 HydrophobicContact CB-CB 3.8Å; A218-T255 WeakPolarHBondContact CA-OG1 3.43Å
219V96.9Very high92.3Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-60.7-49.8173169.30000110.6I161 V183 V187 L215 G216 S217 F221 S222 C223 L258I161-V219 HydrophobicContact CD1-CB 3.95Å; I161-V219 HydrophobicContact CD1-CG1 3.84Å; I161-V219 HydrophobicContact CD1-CG2 4Å; I161-V219 HydrophobicContact CG1-CB 4.41Å; V183-V219 HydrophobicContact CB-CG1 4.17Å; V183-V219 HydrophobicContact CG1-CB 4.3Å; V183-V219 HydrophobicContact CG1-CG1 3.86Å; V183-V219 HydrophobicContact CG1-CG2 4.21Å; V187-V219 HydrophobicContact CG2-CG2 3.72Å; L215-V219 WeakPolarHBondContact O-CG2 3.29Å; L215-V219 PolarHBondContact O-N 3.34Å; G216-V219 PolarHBondContact O-N 2.88Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 2.91Å; V219-F221 PolarHBondContact O-N 2.91Å; V219-S222 WeakPolarHBondContact O-CB 3.45Å; V219-S222 PolarHBondContact O-N 3.41Å; V219-C223 PolarHBondContact O-N 3.38Å; V219-C223 PolarHBondContact O-SG 3.42Å; V219-L258 HydrophobicContact CG2-CD2 4.02Å
220L96.3Very high92.5Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-64-39.4-179.1-65.5176.6000112.6I161 L164 A165 F168 F177 G216 S217 C223 L224 L236I161-L220 HydrophobicContact CG2-CD2 3.75Å; I161-L220 HydrophobicContact CG2-CG 4.19Å; L164-L220 HydrophobicContact CB-CD1 3.57Å; A165-L220 HydrophobicContact CB-CD1 4.31Å; A165-L220 HydrophobicContact CB-CD2 4.11Å; F168-L220 HydrophobicContact CD2-CB 4.46Å; F168-L220 HydrophobicContact CD2-CD1 3.62Å; F168-L220 HydrophobicContact CE2-CB 4.37Å; F168-L220 HydrophobicContact CE2-CD1 3.61Å; F177-L220 HydrophobicContact CB-CD2 3.99Å; F177-L220 HydrophobicContact CD1-CB 4.01Å; F177-L220 HydrophobicContact CD1-CD2 3.61Å; F177-L220 HydrophobicContact CD1-CG 4.38Å; F177-L220 HydrophobicContact CD2-CD2 3.83Å; F177-L220 HydrophobicContact CE1-CB 3.82Å; F177-L220 HydrophobicContact CE1-CD2 4Å; F177-L220 HydrophobicContact CE1-CG 4.38Å; F177-L220 HydrophobicContact CE2-CD2 4.19Å; F177-L220 HydrophobicContact CG-CD2 3.52Å; F177-L220 HydrophobicContact CZ-CB 4.41Å; F177-L220 HydrophobicContact CZ-CD2 4.27Å; G216-L220 WeakPolarHBondContact O-CG 3.31Å; G216-L220 PolarHBondContact O-N 2.95Å; G216-L220 VanDerWaalsContact O-N 3.13Å; S217-L220 PolarHBondContact O-N 3.18Å; L220-C223 PolarHBondContact O-N 2.85Å; L220-L224 PolarHBondContact O-N 3.1Å; L220-L236 HydrophobicContact CB-CD2 4.19Å
221F96.1Very high92.7Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-63.6-43.8172.8-87-120.3000111.6S217 V219 C223 L224 I225 I233 L236 R237 V240 V251 L252 T255S217-F221 WeakPolarHBondContact O-CD2 3.36Å; S217-F221 PolarHBondContact O-N 3.06Å; V219-F221 PolarHBondContact O-N 2.91Å; F221-C223 VanDerWaalsContact C-N 3.31Å; F221-C223 PolarHBondContact O-N 3.38Å; F221-L224 PolarHBondContact O-N 3.25Å; F221-I225 WeakPolarHBondContact O-CG1 3.27Å; F221-I225 PolarHBondContact O-N 2.98Å; F221-I233 HydrophobicContact CD1-CG2 4.1Å; F221-I233 HydrophobicContact CE1-CG2 3.86Å; F221-L236 HydrophobicContact CD2-CB 4.11Å; F221-L236 HydrophobicContact CD2-CD2 3.57Å; F221-L236 HydrophobicContact CD2-CG 4.5Å; F221-L236 HydrophobicContact CE1-CB 4.41Å; F221-L236 HydrophobicContact CE2-CB 3.43Å; F221-L236 VanDerWaalsContact CE2-CB 3.43Å; F221-L236 HydrophobicContact CE2-CD2 3.68Å; F221-L236 HydrophobicContact CE2-CG 4.17Å; F221-L236 HydrophobicContact CG-CD2 4.43Å; F221-L236 HydrophobicContact CZ-CB 3.59Å; F221-R237 HydrophobicContact CE1-CG 3.86Å; F221-R237 HydrophobicContact CZ-CG 4.04Å; F221-V240 HydrophobicContact CE2-CG2 3.75Å; F221-V240 HydrophobicContact CZ-CG2 4.12Å; F221-V251 HydrophobicContact CD1-CG1 4.37Å; F221-V251 HydrophobicContact CD2-CG1 3.83Å; F221-V251 HydrophobicContact CE1-CG1 4.33Å; F221-V251 HydrophobicContact CE2-CG1 3.75Å; F221-V251 HydrophobicContact CG-CG1 4.13Å; F221-V251 HydrophobicContact CZ-CG1 4.02Å; F221-L252 HydrophobicContact CD1-CD2 3.91Å; F221-L252 HydrophobicContact CE1-CD2 3.84Å; F221-T255 HydrophobicContact CB-CG2 3.69Å; F221-T255 WeakPolarHBondContact CB-OG1 3.39Å
222S96.6Very high92.8Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-61.3-41.3178.4-59.20000111.2A218 V219 L224 I225 L226 L258A218-S222 VanDerWaalsContact O-CB 3.31Å; A218-S222 WeakPolarHBondContact O-CB 3.5Å; A218-S222 PolarHBondContact O-N 3.34Å; A218-S222 PolarHBondContact O-OG 3.46Å; V219-S222 WeakPolarHBondContact O-CB 3.45Å; V219-S222 PolarHBondContact O-N 3.41Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 2.93Å; S222-I225 PolarHBondContact O-N 3.46Å; S222-L226 WeakPolarHBondContact O-CB 3.26Å; S222-L226 VanDerWaalsContact O-CG 3.25Å; S222-L226 WeakPolarHBondContact O-CG 3.47Å; S222-L226 PolarHBondContact O-N 3.03Å; S222-L258 WeakPolarHBondContact OG-CD2 3.33Å
223C96.1Very high92.9Very high0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-56.6-47174.5-64.60000111.4F177 K180 V219 L220 F221 I225 L226 N227F177-C223 HydrophobicContact CB-CB 4.42Å; F177-C223 HydrophobicContact CD1-CB 4.38Å; K180-C223 VanDerWaalsContact CA-SG 3.59Å; V219-C223 PolarHBondContact O-N 3.38Å; V219-C223 PolarHBondContact O-SG 3.42Å; L220-C223 PolarHBondContact O-N 2.85Å; F221-C223 VanDerWaalsContact C-N 3.31Å; F221-C223 PolarHBondContact O-N 3.38Å; C223-I225 PolarHBondContact O-N 3.47Å; C223-L226 PolarHBondContact O-N 3.27Å; C223-N227 WeakPolarHBondContact O-CB 3.47Å; C223-N227 PolarHBondContact O-N 3.46Å; C223-N227 PolarHBondContact O-ND2 2.64Å
224L94Very high92.7Very high1 Ų135.7 Ų35.71%0.00519%0.188CC..Hα-helixtrans-66.9-38.5-180-66.7177.8000112.9L175 F177 L220 F221 S222 N227 N228 H229 K232 L236L175-L224 HydrophobicContact CD2-CD1 4.1Å; L175-L224 HydrophobicContact CD2-CD2 4.36Å; F177-L224 HydrophobicContact CD1-CD2 4.24Å; F177-L224 HydrophobicContact CD1-CG 4.2Å; F177-L224 HydrophobicContact CE1-CD1 4.04Å; F177-L224 HydrophobicContact CE1-CD2 4.19Å; F177-L224 HydrophobicContact CE1-CG 4Å; L220-L224 PolarHBondContact O-N 3.1Å; F221-L224 PolarHBondContact O-N 3.25Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 2.93Å; L224-N227 PolarHBondContact O-N 3.39Å; L224-N228 PolarHBondContact O-N 2.88Å; L224-H229 HydrophobicContact CB-CB 4.34Å; L224-H229 HydrophobicContact CD2-CB 4.03Å; L224-H229 WeakPolarHBondContact O-CA 3.48Å; L224-H229 PolarHBondContact O-N 3.18Å; L224-K232 HydrophobicContact CD1-CB 4.32Å; L224-L236 HydrophobicContact CD1-CD1 3.21Å; L224-L236 HydrophobicContact CD1-CD2 3.81Å; L224-L236 HydrophobicContact CD1-CG 4.09Å
225I94.7Very high92.5Very high52 Ų5237.6 Ų37.627%0.26720%0.2SC..Hα-helixtrans-65.3-48.3177.6-68.7163.3000110.3F221 S222 C223 N227 N228 I233 T255 L259F221-I225 WeakPolarHBondContact O-CG1 3.27Å; F221-I225 PolarHBondContact O-N 2.98Å; S222-I225 PolarHBondContact O-N 3.46Å; C223-I225 PolarHBondContact O-N 3.47Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 2.89Å; I225-N228 PolarHBondContact O-N 3.39Å; I225-I233 HydrophobicContact CD1-CD1 3.99Å; I225-I233 HydrophobicContact CG1-CD1 3.5Å; I225-I233 HydrophobicContact CG1-CG1 4.36Å; I225-T255 HydrophobicContact CD1-CG2 3.76Å; I225-L259 HydrophobicContact CB-CD1 4.04Å; I225-L259 HydrophobicContact CD1-CD1 3.6Å; I225-L259 HydrophobicContact CG1-CD1 4.41Å; I225-L259 HydrophobicContact CG2-CD1 3.74Å
226L94.4Very high92.2Very high71 Ų7137.1 Ų37.137%0.37220%0.197SC..Hα-helixtrans-63.9-30.6-179.9-68.8170.2000112.6L179 V183 S222 C223 N228 L259 I262L179-L226 HydrophobicContact CD1-CB 4.04Å; V183-L226 HydrophobicContact CG2-CD1 3.76Å; S222-L226 WeakPolarHBondContact O-CB 3.26Å; S222-L226 VanDerWaalsContact O-CG 3.25Å; S222-L226 WeakPolarHBondContact O-CG 3.47Å; S222-L226 PolarHBondContact O-N 3.03Å; C223-L226 PolarHBondContact O-N 3.27Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.27Å; L226-L259 HydrophobicContact CD1-CD2 4.05Å; L226-L259 HydrophobicContact CD2-CD2 3.93Å; L226-L259 HydrophobicContact CG-CD2 3.78Å; L226-I262 HydrophobicContact CD1-CD1 4.09Å
227N92.2Very high92Very high39 Ų3942.2 Ų42.221%0.20922%0.216CC..THydrogen-bonded Turntrans-87.512.9174.3-67.6-68.6000114S178 C223 L224 I225 H229S178-N227 PolarHBondContact O-ND2 3.02Å; S178-N227 PolarHBondContact OG-ND2 2.85Å; S178-N227 PolarHBondContact OG-OD1 3.38Å; C223-N227 WeakPolarHBondContact O-CB 3.47Å; C223-N227 PolarHBondContact O-N 3.46Å; C223-N227 PolarHBondContact O-ND2 2.64Å; L224-N227 PolarHBondContact O-N 3.39Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 2.89Å; N227-H229 PolarHBondContact O-N 2.74Å; N227-H229 VanDerWaalsContact O-N 3.16Å
228N88.7Confident91.6Very high140 Ų14048 Ų4875%0.74925%0.247SC*.THydrogen-bonded Turntrans58.523.5-178.3-62-51.3000115L224 I225 L226 V230L224-N228 PolarHBondContact O-N 2.88Å; I225-N228 PolarHBondContact O-N 3.39Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.27Å; N228-V230 PolarHBondContact O-N 3.23Å
229H89.1Confident91.2Very high78 Ų7848.1 Ų48.136%0.36125%0.248SC..  trans-92.142.7174.7-66.3-54.2000111.9L224 N227 N231 K232L224-H229 HydrophobicContact CB-CB 4.34Å; L224-H229 HydrophobicContact CD2-CB 4.03Å; L224-H229 WeakPolarHBondContact O-CA 3.48Å; L224-H229 PolarHBondContact O-N 3.18Å; N227-H229 PolarHBondContact O-N 2.74Å; N227-H229 VanDerWaalsContact O-N 3.16Å; H229-N231 PolarHBondContact O-N 2.92Å; H229-K232 HydrophobicContact CB-CB 4.48Å; H229-K232 HydrophobicContact CB-CG 4.39Å; H229-K232 WeakPolarHBondContact O-CB 3.08Å; H229-K232 PolarHBondContact O-N 3.42Å
230V84.9Confident90.8Very high85 Ų8548.1 Ų48.152%0.51525%0.248SC..G310 helixtrans-60.7-31.2-177.1-178.30000111.7N228 K232 I233N228-V230 PolarHBondContact O-N 3.23Å; V230-K232 PolarHBondContact O-N 2.88Å; V230-I233 HydrophobicContact CB-CD1 4.22Å; V230-I233 HydrophobicContact CG1-CD1 3.78Å; V230-I233 WeakPolarHBondContact O-CB 3.39Å; V230-I233 WeakPolarHBondContact O-CG1 3.26Å; V230-I233 PolarHBondContact O-N 3.48Å; V230-I233 VanDerWaalsContact O-N 3.14Å
231N87.6Confident90.4Very high119 Ų11955.4 Ų55.464%0.63628%0.28SS*.G310 helixtrans-60.3-25.7174.562.7-26.3000113.5H229H229-N231 PolarHBondContact O-N 2.92Å
232K89.8Confident89.7Confident35 Ų3558.6 Ų58.615%0.15230%0.302CS..G310 helixtrans-86.5-10.1178.8-63.9-62.1-169.7171.90113.8D172 E174 L175 L224 H229 V230 N234 V235 L236D172-K232 IonicContact OD1-NZ 3.74Å; D172-K232 WeakPolarHBondContact OD2-CD 3.47Å; D172-K232 IonicContact OD2-NZ 2.76Å; D172-K232 PolarHBondContact OD2-NZ 2.67Å; E174-K232 IonicContact OE2-NZ 2.68Å; E174-K232 PolarHBondContact OE2-NZ 2.87Å; L175-K232 HydrophobicContact CD2-CB 3.67Å; L175-K232 HydrophobicContact CD2-CD 4.3Å; L175-K232 HydrophobicContact CD2-CG 4.1Å; L224-K232 HydrophobicContact CD1-CB 4.32Å; H229-K232 HydrophobicContact CB-CB 4.48Å; H229-K232 HydrophobicContact CB-CG 4.39Å; H229-K232 WeakPolarHBondContact O-CB 3.08Å; H229-K232 PolarHBondContact O-N 3.42Å; V230-K232 PolarHBondContact O-N 2.88Å; K232-N234 PolarHBondContact O-N 3.14Å; K232-V235 WeakPolarHBondContact O-CB 3.49Å; K232-V235 PolarHBondContact O-N 2.99Å; K232-V235 VanDerWaalsContact O-N 3.08Å; K232-L236 PolarHBondContact O-N 3.49Å
233I89.4Confident89Confident22 Ų2259 Ų5911%0.11330%0.304CS..Hα-helixtrans-58.3-38.7179.3-66.2174.9000111.3F221 I225 V230 V235 L236 R237F221-I233 HydrophobicContact CD1-CG2 4.1Å; F221-I233 HydrophobicContact CE1-CG2 3.86Å; I225-I233 HydrophobicContact CD1-CD1 3.99Å; I225-I233 HydrophobicContact CG1-CD1 3.5Å; I225-I233 HydrophobicContact CG1-CG1 4.36Å; V230-I233 HydrophobicContact CB-CD1 4.22Å; V230-I233 HydrophobicContact CG1-CD1 3.78Å; V230-I233 WeakPolarHBondContact O-CB 3.39Å; V230-I233 WeakPolarHBondContact O-CG1 3.26Å; V230-I233 PolarHBondContact O-N 3.48Å; V230-I233 VanDerWaalsContact O-N 3.14Å; I233-V235 PolarHBondContact O-N 3.38Å; I233-L236 PolarHBondContact O-N 3.04Å; I233-L236 VanDerWaalsContact O-N 3.15Å; I233-R237 HydrophobicContact CG2-CG 4.03Å; I233-R237 VanDerWaalsContact O-CG 3.3Å; I233-R237 WeakPolarHBondContact O-CG 3.4Å; I233-R237 PolarHBondContact O-N 3.23Å
234N88.2Confident88.5Confident98 Ų9862.4 Ų62.452%0.52434%0.339SS..Hα-helixtrans-61.6-33.6179.9-74.6-26.8000112.6K232 R237 L238K232-N234 PolarHBondContact O-N 3.14Å; N234-R237 PolarHBondContact O-N 2.88Å; N234-L238 WeakPolarHBondContact O-CG 3.03Å; N234-L238 PolarHBondContact O-N 2.97Å; N234-L238 VanDerWaalsContact O-N 3.11Å
235V86.9Confident87.9Confident39 Ų3964 Ų6424%0.23635%0.347CS..Hα-helixtrans-64.4-47.9174.8-1780000110.2K171 D172 L175 K232 I233 R237 L238 A239K171-V235 HydrophobicContact CB-CG1 4.43Å; D172-V235 HydrophobicContact CB-CG1 3.67Å; L175-V235 HydrophobicContact CD1-CG1 4.24Å; K232-V235 WeakPolarHBondContact O-CB 3.49Å; K232-V235 PolarHBondContact O-N 2.99Å; K232-V235 VanDerWaalsContact O-N 3.08Å; I233-V235 PolarHBondContact O-N 3.38Å; V235-R237 VanDerWaalsContact C-N 3.32Å; V235-R237 PolarHBondContact O-N 3.11Å; V235-L238 PolarHBondContact O-N 3.31Å; V235-A239 PolarHBondContact O-N 2.95Å
236L89.5Confident87.6Confident0 Ų061.9 Ų61.90%034%0.337CS..Hα-helixtrans-65.4-36177.4-85.679.9000112.3F168 L175 F177 L220 F221 L224 K232 I233 L238 A239 V240F168-L236 HydrophobicContact CB-CG 4.42Å; F168-L236 HydrophobicContact CD2-CD2 3.5Å; F168-L236 HydrophobicContact CD2-CG 3.75Å; F168-L236 HydrophobicContact CE2-CD2 3.79Å; F168-L236 HydrophobicContact CE2-CG 4.23Å; F168-L236 HydrophobicContact CG-CD2 4.39Å; F168-L236 HydrophobicContact CG-CG 4.16Å; L175-L236 HydrophobicContact CD1-CD1 3.64Å; L175-L236 HydrophobicContact CD2-CD1 3.55Å; L175-L236 HydrophobicContact CG-CD1 4.25Å; F177-L236 HydrophobicContact CE1-CD2 3.94Å; F177-L236 HydrophobicContact CZ-CD2 4.25Å; L220-L236 HydrophobicContact CB-CD2 4.19Å; F221-L236 HydrophobicContact CD2-CB 4.11Å; F221-L236 HydrophobicContact CD2-CD2 3.57Å; F221-L236 HydrophobicContact CD2-CG 4.5Å; F221-L236 HydrophobicContact CE1-CB 4.41Å; F221-L236 HydrophobicContact CE2-CB 3.43Å; F221-L236 VanDerWaalsContact CE2-CB 3.43Å; F221-L236 HydrophobicContact CE2-CD2 3.68Å; F221-L236 HydrophobicContact CE2-CG 4.17Å; F221-L236 HydrophobicContact CG-CD2 4.43Å; F221-L236 HydrophobicContact CZ-CB 3.59Å; L224-L236 HydrophobicContact CD1-CD1 3.21Å; L224-L236 HydrophobicContact CD1-CD2 3.81Å; L224-L236 HydrophobicContact CD1-CG 4.09Å; K232-L236 PolarHBondContact O-N 3.49Å; I233-L236 PolarHBondContact O-N 3.04Å; I233-L236 VanDerWaalsContact O-N 3.15Å; L236-L238 VanDerWaalsContact C-N 3.29Å; L236-L238 PolarHBondContact O-N 3.31Å; L236-A239 PolarHBondContact O-N 3.44Å; L236-V240 WeakPolarHBondContact O-CB 3.31Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.17Å; L236-V240 PolarHBondContact O-N 3.42Å
237R90.1Very high87.5Confident107 Ų10761 Ų6140%0.40434%0.336SS..Hα-helixtrans-58.3-44.2175.1-72178.267.9-172.83.4111.2F221 I233 N234 V235 K241 T248F221-R237 HydrophobicContact CE1-CG 3.86Å; F221-R237 HydrophobicContact CZ-CG 4.04Å; I233-R237 HydrophobicContact CG2-CG 4.03Å; I233-R237 VanDerWaalsContact O-CG 3.3Å; I233-R237 WeakPolarHBondContact O-CG 3.4Å; I233-R237 PolarHBondContact O-N 3.23Å; N234-R237 PolarHBondContact O-N 2.88Å; V235-R237 VanDerWaalsContact C-N 3.32Å; V235-R237 PolarHBondContact O-N 3.11Å; R237-K241 WeakPolarHBondContact O-CB 3.5Å; R237-K241 PolarHBondContact O-N 3.27Å; R237-T248 HydrophobicContact CB-CG2 3.74Å; R237-T248 HydrophobicContact CG-CG2 3.53Å
238L87.1Confident87.5Confident122 Ų12260.2 Ų60.264%0.63933%0.333SS*.Hα-helixtrans-66-41.3175.1-67.4173.3000111.7N234 V235 L236 K241 S242N234-L238 WeakPolarHBondContact O-CG 3.03Å; N234-L238 PolarHBondContact O-N 2.97Å; N234-L238 VanDerWaalsContact O-N 3.11Å; V235-L238 PolarHBondContact O-N 3.31Å; L236-L238 VanDerWaalsContact C-N 3.29Å; L236-L238 PolarHBondContact O-N 3.31Å; L238-K241 PolarHBondContact O-N 3.46Å; L238-S242 PolarHBondContact O-N 3.29Å
239A85.9Confident87.7Confident3 Ų359.6 Ų59.63%0.02533%0.326CS..Hα-helixtrans-63.9-47.6177.700000111.9F168 K171 V235 L236 K241 S242 L243F168-A239 HydrophobicContact CD1-CB 3.44Å; F168-A239 VanDerWaalsContact CD1-CB 3.44Å; F168-A239 HydrophobicContact CE1-CB 3.77Å; F168-A239 HydrophobicContact CG-CB 4.29Å; K171-A239 HydrophobicContact CG-CB 4.12Å; V235-A239 PolarHBondContact O-N 2.95Å; L236-A239 PolarHBondContact O-N 3.44Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 2.76Å; A239-S242 WeakPolarHBondContact O-CB 3.32Å; A239-S242 PolarHBondContact O-N 3.15Å; A239-S242 PolarHBondContact O-OG 3.38Å; A239-L243 PolarHBondContact O-N 3.25Å; A239-L243 VanDerWaalsContact O-N 3.16Å
240V88.4Confident88Confident0 Ų057.4 Ų57.40%032%0.317CS..Hα-helixtrans-57.4-45.1173.4168.40000110.9F168 F221 L236 S242 L243 V246 V251F168-V240 HydrophobicContact CE1-CG2 4.17Å; F168-V240 HydrophobicContact CE2-CG2 4.44Å; F168-V240 HydrophobicContact CZ-CG2 3.63Å; F221-V240 HydrophobicContact CE2-CG2 3.75Å; F221-V240 HydrophobicContact CZ-CG2 4.12Å; L236-V240 WeakPolarHBondContact O-CB 3.31Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.17Å; L236-V240 PolarHBondContact O-N 3.42Å; V240-S242 PolarHBondContact O-N 2.86Å; V240-L243 WeakPolarHBondContact O-CB 3.47Å; V240-L243 PolarHBondContact O-N 3.25Å; V240-L243 VanDerWaalsContact O-N 3.1Å; V240-V246 HydrophobicContact CG1-CG2 3.96Å; V240-V251 HydrophobicContact CG1-CG2 3.83Å
241K87.9Confident88.5Confident153 Ų15353.4 Ų53.467%0.66529%0.292SS*.Hα-helixtrans-59.6-37.8176.6-172.8-179.7179.5-176.20111.5R237 L238 A239 L243 G244R237-K241 WeakPolarHBondContact O-CB 3.5Å; R237-K241 PolarHBondContact O-N 3.27Å; L238-K241 PolarHBondContact O-N 3.46Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 2.76Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 2.88Å; K241-G244 PolarHBondContact O-N 3.46Å
242S82.4Confident88.8Confident66 Ų6650.7 Ų50.746%0.46228%0.277SS..Hα-helixtrans-69.2-23.4177.777.60000114L238 A239 V240 G244L238-S242 PolarHBondContact O-N 3.29Å; A239-S242 WeakPolarHBondContact O-CB 3.32Å; A239-S242 PolarHBondContact O-N 3.15Å; A239-S242 PolarHBondContact O-OG 3.38Å; V240-S242 PolarHBondContact O-N 2.86Å; S242-G244 VanDerWaalsContact C-N 3.3Å; S242-G244 PolarHBondContact O-N 3.28Å
243L82.6Confident89Confident9 Ų952.5 Ų52.55%0.04729%0.285CS..Hα-helixtrans-66-34.8174.1-62177.6000111.5L9 L164 V167 F168 A239 V240 K241 I245L9-L243 HydrophobicContact CD1-CD2 3.84Å; L9-L243 HydrophobicContact CD2-CD2 3.44Å; L9-L243 VanDerWaalsContact CD2-CD2 3.44Å; L9-L243 HydrophobicContact CG-CD2 4.31Å; L164-L243 HydrophobicContact CD2-CD1 3.69Å; V167-L243 HydrophobicContact CG1-CD2 4.03Å; F168-L243 HydrophobicContact CE1-CD1 4.16Å; F168-L243 HydrophobicContact CZ-CD1 4.45Å; A239-L243 PolarHBondContact O-N 3.25Å; A239-L243 VanDerWaalsContact O-N 3.16Å; V240-L243 WeakPolarHBondContact O-CB 3.47Å; V240-L243 PolarHBondContact O-N 3.25Å; V240-L243 VanDerWaalsContact O-N 3.1Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 2.88Å; L243-I245 VanDerWaalsContact C-N 3.25Å; L243-I245 HydrophobicContact CB-CD1 4.04Å; L243-I245 HydrophobicContact CB-CG1 4.4Å; L243-I245 WeakPolarHBondContact O-CG1 3.35Å; L243-I245 PolarHBondContact O-N 3.47Å
244G83.7Confident89.3Confident71 Ų7151.6 Ų51.673%0.73228%0.281SS*.  trans70.214.2178.800000115.3K241 S242K241-G244 PolarHBondContact O-N 3.46Å; S242-G244 VanDerWaalsContact C-N 3.3Å; S242-G244 PolarHBondContact O-N 3.28Å
245I83.4Confident89.7Confident34 Ų3447.1 Ų47.117%0.17426%0.257CS..SBendtrans-104.7-41.8-172.8-56.4156.2000112L13 H210 I213 L243L13-I245 HydrophobicContact CD1-CD1 3.53Å; L13-I245 HydrophobicContact CD1-CG1 4.11Å; L13-I245 HydrophobicContact CD2-CD1 3.37Å; L13-I245 HydrophobicContact CD2-CG1 4.37Å; L13-I245 HydrophobicContact CG-CD1 4.04Å; H210-I245 VanDerWaalsContact CD2-CG2 3.44Å; H210-I245 WeakPolarHBondContact CD2-CG2 3.19Å; I213-I245 HydrophobicContact CD1-CD1 3.71Å; I213-I245 HydrophobicContact CD1-CG2 3.9Å; L243-I245 VanDerWaalsContact C-N 3.25Å; L243-I245 HydrophobicContact CB-CD1 4.04Å; L243-I245 HydrophobicContact CB-CG1 4.4Å; L243-I245 WeakPolarHBondContact O-CG1 3.35Å; L243-I245 PolarHBondContact O-N 3.47Å
246V87.4Confident90.2Very high9 Ų951.3 Ų51.36%0.05527%0.273CS..SBendtrans-127.1144.8-179.4-65.20000109.2F205 I213 L214 V240 V251F205-V246 HydrophobicContact CE2-CG1 4.01Å; F205-V246 HydrophobicContact CZ-CG1 4.1Å; I213-V246 HydrophobicContact CG2-CG1 4.27Å; I213-V246 HydrophobicContact CG2-CG2 4.07Å; L214-V246 HydrophobicContact CB-CG1 4.43Å; V240-V246 HydrophobicContact CG1-CG2 3.96Å; V246-V251 HydrophobicContact CB-CG2 4.38Å; V246-V251 HydrophobicContact CG2-CG2 3.61Å
247S91.9Very high90.4Very high51 Ų5151.7 Ų51.736%0.35727%0.274SS..  trans-72.9145.2175.385.60000110.1Q249 D250 V251S247-Q249 PolarHBondContact O-N 3.09Å; S247-D250 WeakPolarHBondContact CB-OD2 3.45Å; S247-D250 PolarHBondContact O-N 3.36Å; S247-D250 VanDerWaalsContact O-N 3.11Å; S247-D250 WeakPolarHBondContact OG-CB 3.4Å; S247-D250 PolarHBondContact OG-N 2.85Å; S247-D250 PolarHBondContact OG-OD1 2.86Å; S247-D250 PolarHBondContact OG-OD2 3.07Å; S247-V251 PolarHBondContact O-N 3.26Å; S247-V251 VanDerWaalsContact O-N 3.13Å
248T92.3Very high90.7Very high24 Ų2446.8 Ų46.815%0.14726%0.256CS..Hα-helixtrans-58.6-32.5173.8-50.20000111.7R237 D250 V251 L252R237-T248 HydrophobicContact CB-CG2 3.74Å; R237-T248 HydrophobicContact CG-CG2 3.53Å; T248-D250 VanDerWaalsContact C-N 3.35Å; T248-V251 PolarHBondContact O-N 3.32Å; T248-L252 HydrophobicContact CG2-CD1 4.33Å; T248-L252 VanDerWaalsContact O-CG 3.29Å; T248-L252 WeakPolarHBondContact O-CG 3.21Å; T248-L252 PolarHBondContact O-N 2.95Å
249Q93.6Very high91.1Very high127 Ų12742.9 Ų42.959%0.59324%0.236SC*.Hα-helixtrans-65-40.1177.3-173.31794.100111.5S247 L252 K253S247-Q249 PolarHBondContact O-N 3.09Å; Q249-L252 PolarHBondContact O-N 2.94Å; Q249-K253 WeakPolarHBondContact O-CG 3.49Å; Q249-K253 PolarHBondContact O-N 3.42Å
250D94.3Very high91.5Very high32 Ų3249.4 Ų49.417%0.17126%0.264CS..Hα-helixtrans-67.9-41.8177.9-62.6-30.4000111.3L203 L214 S247 T248 L252 K253 A254L203-D250 HydrophobicContact CD2-CB 3.77Å; L203-D250 VanDerWaalsContact CD2-OD1 3.28Å; L203-D250 WeakPolarHBondContact CD2-OD1 3.35Å; L214-D250 HydrophobicContact CD1-CB 4Å; S247-D250 WeakPolarHBondContact CB-OD2 3.45Å; S247-D250 PolarHBondContact O-N 3.36Å; S247-D250 VanDerWaalsContact O-N 3.11Å; S247-D250 WeakPolarHBondContact OG-CB 3.4Å; S247-D250 PolarHBondContact OG-N 2.85Å; S247-D250 PolarHBondContact OG-OD1 2.86Å; S247-D250 PolarHBondContact OG-OD2 3.07Å; T248-D250 VanDerWaalsContact C-N 3.35Å; D250-L252 VanDerWaalsContact C-N 3.33Å; D250-L252 PolarHBondContact O-N 3.47Å; D250-K253 PolarHBondContact O-N 3.49Å; D250-A254 WeakPolarHBondContact O-CB 3.43Å; D250-A254 PolarHBondContact O-N 3.47Å
251V95.1Very high91.5Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-59.8-44173.5175.20000111L214 F221 V240 V246 S247 T248 A254 T255L214-V251 HydrophobicContact CD1-CG2 4.12Å; F221-V251 HydrophobicContact CD1-CG1 4.37Å; F221-V251 HydrophobicContact CD2-CG1 3.83Å; F221-V251 HydrophobicContact CE1-CG1 4.33Å; F221-V251 HydrophobicContact CE2-CG1 3.75Å; F221-V251 HydrophobicContact CG-CG1 4.13Å; F221-V251 HydrophobicContact CZ-CG1 4.02Å; V240-V251 HydrophobicContact CG1-CG2 3.83Å; V246-V251 HydrophobicContact CB-CG2 4.38Å; V246-V251 HydrophobicContact CG2-CG2 3.61Å; S247-V251 PolarHBondContact O-N 3.26Å; S247-V251 VanDerWaalsContact O-N 3.13Å; T248-V251 PolarHBondContact O-N 3.32Å; V251-A254 PolarHBondContact O-N 3.33Å; V251-T255 WeakPolarHBondContact O-CB 3.32Å; V251-T255 PolarHBondContact O-N 3.34Å; V251-T255 PolarHBondContact O-OG1 3.24Å
252L94.7Very high91.5Very high62 Ų6248.5 Ų48.533%0.32527%0.267SS..Hα-helixtrans-65-39.1177.4-71.3173.2000112.5F221 T248 Q249 D250 T255 F256F221-L252 HydrophobicContact CD1-CD2 3.91Å; F221-L252 HydrophobicContact CE1-CD2 3.84Å; T248-L252 HydrophobicContact CG2-CD1 4.33Å; T248-L252 VanDerWaalsContact O-CG 3.29Å; T248-L252 WeakPolarHBondContact O-CG 3.21Å; T248-L252 PolarHBondContact O-N 2.95Å; Q249-L252 PolarHBondContact O-N 2.94Å; D250-L252 VanDerWaalsContact C-N 3.33Å; D250-L252 PolarHBondContact O-N 3.47Å; L252-T255 PolarHBondContact O-N 3.5Å; L252-F256 WeakPolarHBondContact O-CB 2.88Å; L252-F256 PolarHBondContact O-N 2.95Å
253K95.3Very high92Very high73 Ų7347.7 Ų47.732%0.31726%0.257SS..Hα-helixtrans-63.5-47.2173.6-72.6171.2-177.91680111.5L203 Q249 D250 T255 F256 I257L203-K253 HydrophobicContact CD1-CB 3.81Å; L203-K253 HydrophobicContact CD1-CD 4.44Å; L203-K253 HydrophobicContact CD2-CD 4.34Å; Q249-K253 WeakPolarHBondContact O-CG 3.49Å; Q249-K253 PolarHBondContact O-N 3.42Å; D250-K253 PolarHBondContact O-N 3.49Å; K253-T255 VanDerWaalsContact C-N 3.31Å; K253-T255 PolarHBondContact O-N 3.17Å; K253-F256 PolarHBondContact O-N 3.46Å; K253-I257 VanDerWaalsContact O-CG1 3.3Å; K253-I257 WeakPolarHBondContact O-CG1 3.27Å; K253-I257 PolarHBondContact O-N 2.92Å
254A95.6Very high92.4Very high4 Ų449.7 Ų49.73%0.03327%0.268CS..Hα-helixtrans-61.9-40176.800000111.7L198 L214 A218 D250 V251 I257 L258L198-A254 HydrophobicContact CD2-CB 3.85Å; L214-A254 HydrophobicContact CD1-CB 3.93Å; L214-A254 HydrophobicContact CD2-CB 4.22Å; L214-A254 HydrophobicContact CG-CB 3.93Å; A218-A254 HydrophobicContact CB-CB 3.8Å; D250-A254 WeakPolarHBondContact O-CB 3.43Å; D250-A254 PolarHBondContact O-N 3.47Å; V251-A254 PolarHBondContact O-N 3.33Å; A254-I257 PolarHBondContact O-N 3.4Å; A254-L258 WeakPolarHBondContact O-CB 3.09Å; A254-L258 PolarHBondContact O-N 2.64Å
255T96.4Very high92.9Very high4 Ų448.5 Ų48.53%0.02524%0.243CC..Hα-helixtrans-61-46.2173.6-55.60000111A218 F221 I225 V251 L252 K253 I257 L258 L259A218-T255 WeakPolarHBondContact CA-OG1 3.43Å; F221-T255 HydrophobicContact CB-CG2 3.69Å; F221-T255 WeakPolarHBondContact CB-OG1 3.39Å; I225-T255 HydrophobicContact CD1-CG2 3.76Å; V251-T255 WeakPolarHBondContact O-CB 3.32Å; V251-T255 PolarHBondContact O-N 3.34Å; V251-T255 PolarHBondContact O-OG1 3.24Å; L252-T255 PolarHBondContact O-N 3.5Å; K253-T255 VanDerWaalsContact C-N 3.31Å; K253-T255 PolarHBondContact O-N 3.17Å; T255-I257 PolarHBondContact O-N 2.95Å; T255-L258 PolarHBondContact O-N 2.97Å; T255-L259 HydrophobicContact CG2-CD1 3.91Å; T255-L259 HydrophobicContact CG2-CG 4.33Å; T255-L259 WeakPolarHBondContact O-CB 3.45Å; T255-L259 WeakPolarHBondContact O-CG 3.41Å; T255-L259 PolarHBondContact O-N 2.96Å
256F95.7Very high93.5Very high126 Ų12649.4 Ų49.455%0.55325%0.247SC*.Hα-helixtrans-61.4-43.9177.4174.3-98.2000112.1L252 K253 L258 L259 K260L252-F256 WeakPolarHBondContact O-CB 2.88Å; L252-F256 PolarHBondContact O-N 2.95Å; K253-F256 PolarHBondContact O-N 3.46Å; F256-L258 VanDerWaalsContact C-N 3.32Å; F256-L258 PolarHBondContact O-N 2.88Å; F256-L259 PolarHBondContact O-N 2.97Å; F256-K260 HydrophobicContact CE1-CD 4.21Å; F256-K260 HydrophobicContact CZ-CD 4.29Å; F256-K260 VanDerWaalsContact O-CB 3.22Å; F256-K260 WeakPolarHBondContact O-CB 3.43Å; F256-K260 PolarHBondContact O-N 2.94Å
257I95.3Very high93.9Very high8 Ų851.9 Ų51.94%0.04126%0.259CS..Hα-helixtrans-59-46.2176-68.1162.5000110.3L194 E197 L198 Y201 L203 K253 A254 T255 K260 S261L194-I257 HydrophobicContact CD2-CG2 3.91Å; E197-I257 HydrophobicContact CB-CD1 4.44Å; E197-I257 HydrophobicContact CB-CG2 3.57Å; E197-I257 HydrophobicContact CG-CG2 4.22Å; L198-I257 HydrophobicContact CD2-CD1 3.99Å; Y201-I257 HydrophobicContact CD2-CD1 3.52Å; Y201-I257 HydrophobicContact CD2-CG1 4.29Å; Y201-I257 HydrophobicContact CE2-CD1 3.88Å; Y201-I257 HydrophobicContact CE2-CG1 4.14Å; Y201-I257 HydrophobicContact CG-CD1 4.37Å; L203-I257 HydrophobicContact CD1-CD1 4.23Å; K253-I257 VanDerWaalsContact O-CG1 3.3Å; K253-I257 WeakPolarHBondContact O-CG1 3.27Å; K253-I257 PolarHBondContact O-N 2.92Å; A254-I257 PolarHBondContact O-N 3.4Å; T255-I257 PolarHBondContact O-N 2.95Å; I257-K260 PolarHBondContact O-N 2.76Å; I257-S261 PolarHBondContact O-N 2.91Å; I257-S261 PolarHBondContact O-OG 3.12Å
258L96Very high94Very high4 Ų451.9 Ų51.92%0.02125%0.252CS..Hα-helixtrans-63.5-50179.3179.254.6000112.1V183 Y186 V187 L194 V219 S222 A254 T255 F256 K260 S261 I262V183-L258 HydrophobicContact CG1-CD2 3.83Å; V183-L258 HydrophobicContact CG1-CG 4.48Å; Y186-L258 HydrophobicContact CD1-CD1 3.74Å; Y186-L258 HydrophobicContact CE1-CD1 3.99Å; V187-L258 HydrophobicContact CG2-CD1 3.51Å; V187-L258 HydrophobicContact CG2-CD2 3.81Å; V187-L258 HydrophobicContact CG2-CG 4.34Å; L194-L258 HydrophobicContact CD1-CD1 3.97Å; L194-L258 HydrophobicContact CD2-CD1 4.23Å; V219-L258 HydrophobicContact CG2-CD2 4.02Å; S222-L258 WeakPolarHBondContact OG-CD2 3.33Å; A254-L258 WeakPolarHBondContact O-CB 3.09Å; A254-L258 PolarHBondContact O-N 2.64Å; T255-L258 PolarHBondContact O-N 2.97Å; F256-L258 VanDerWaalsContact C-N 3.32Å; F256-L258 PolarHBondContact O-N 2.88Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.02Å; L258-S261 PolarHBondContact O-N 3.28Å; L258-S261 PolarHBondContact O-OG 3.1Å; L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.42Å; L258-I262 WeakPolarHBondContact O-CG1 3.28Å; L258-I262 PolarHBondContact O-N 2.82Å
259L95.7Very high94.1Very high40 Ų4053.9 Ų53.921%0.20926%0.26CS..Hα-helixtrans-65.6-33.5179.6-71.9176.3000113.1I225 L226 T255 F256 S261 I262I225-L259 HydrophobicContact CB-CD1 4.04Å; I225-L259 HydrophobicContact CD1-CD1 3.6Å; I225-L259 HydrophobicContact CG1-CD1 4.41Å; I225-L259 HydrophobicContact CG2-CD1 3.74Å; L226-L259 HydrophobicContact CD1-CD2 4.05Å; L226-L259 HydrophobicContact CD2-CD2 3.93Å; L226-L259 HydrophobicContact CG-CD2 3.78Å; T255-L259 HydrophobicContact CG2-CD1 3.91Å; T255-L259 HydrophobicContact CG2-CG 4.33Å; T255-L259 WeakPolarHBondContact O-CB 3.45Å; T255-L259 WeakPolarHBondContact O-CG 3.41Å; T255-L259 PolarHBondContact O-N 2.96Å; F256-L259 PolarHBondContact O-N 2.97Å; L259-S261 PolarHBondContact O-N 3.47Å; L259-I262 HydrophobicContact CD2-CD1 4.37Å; L259-I262 PolarHBondContact O-N 3.06Å
260K93.8Very high94.2Very high140 Ų14048.3 Ų48.361%0.60923%0.234SC*.Hα-helixtrans-66.8-26.6176.9-178.9179.4175.2-1720112.2F256 I257 L258F256-K260 HydrophobicContact CE1-CD 4.21Å; F256-K260 HydrophobicContact CZ-CD 4.29Å; F256-K260 VanDerWaalsContact O-CB 3.22Å; F256-K260 WeakPolarHBondContact O-CB 3.43Å; F256-K260 PolarHBondContact O-N 2.94Å; I257-K260 PolarHBondContact O-N 2.76Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.02Å
261S88.4Confident94.2Very high25 Ų2549.7 Ų49.718%0.17524%0.239CC..Hα-helixtrans-85.3-28.1-178.962.30000113.2Y186 I257 L258 L259Y186-S261 WeakPolarHBondContact CE1-OG 3.19Å; Y186-S261 WeakPolarHBondContact OH-CA 3.33Å; Y186-S261 WeakPolarHBondContact OH-CB 3.28Å; Y186-S261 PolarHBondContact OH-O 2.87Å; Y186-S261 PolarHBondContact OH-OG 2.86Å; I257-S261 PolarHBondContact O-N 2.91Å; I257-S261 PolarHBondContact O-OG 3.12Å; L258-S261 PolarHBondContact O-N 3.28Å; L258-S261 PolarHBondContact O-OG 3.1Å; L259-S261 PolarHBondContact O-N 3.47Å
262I88Confident94.1Very high110 Ų11054.2 Ų54.256%0.56426%0.261SS*.  trans-67.20176-65.9170.4000109.4Y186 L226 L258 L259Y186-I262 HydrophobicContact CD1-CD1 4.43Å; Y186-I262 HydrophobicContact CD1-CG1 3.74Å; Y186-I262 HydrophobicContact CD2-CG1 4.04Å; Y186-I262 HydrophobicContact CE1-CG1 3.8Å; Y186-I262 HydrophobicContact CE2-CB 4.49Å; Y186-I262 HydrophobicContact CE2-CG1 4.02Å; Y186-I262 HydrophobicContact CG-CG1 3.91Å; Y186-I262 PolarHBondContact OH-N 3.12Å; L226-I262 HydrophobicContact CD1-CD1 4.09Å; L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.42Å; L258-I262 WeakPolarHBondContact O-CG1 3.28Å; L258-I262 PolarHBondContact O-N 2.82Å; L259-I262 HydrophobicContact CD2-CD1 4.37Å; L259-I262 PolarHBondContact O-N 3.06Å

Retrieved 262 of 262 residues in 72.3 ms (Link to these results)

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