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GTP-binding nuclear protein Ran, testis-specific isoform

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle (By similarity).

AlphaFold DB , UniProt , Accession Q8K586, Species RAT (Rattus norvegicus, Rat), Gene Rasl2-9, Length 216 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	37.8	Very low	65.1	Low	244 Å²	244	120.8 Å²	120.8	100%	1.202	69%	0.693	S	S	*	*				0	100.8	0	-64.3	-178.5	-162.6	0	0	107.5	G3	M1-G3 PolarHBondContact O-N 2.88Å
2	A	39.4	Very low	67.8	Low	103 Å²	103	112.9 Å²	112.9	85%	0.851	65%	0.645	S	S	*	*			trans	-75.9	107.3	176.3	0	0	0	0	0	107.8	Q4	A2-Q4 PolarHBondContact O-N 3.15Å
3	G	43.6	Very low	70.2	Confident	73 Å²	73	104.3 Å²	104.3	75%	0.753	60%	0.595	S	S	*	*			trans	-59	120.8	170.6	0	0	0	0	0	108.4	M1 G5	M1-G3 PolarHBondContact O-N 2.88Å; G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.39Å
4	Q	41.7	Very low	72.1	Confident	198 Å²	198	96.9 Å²	96.9	93%	0.925	55%	0.553	S	S	*	*			trans	-60.6	97.7	167.2	-71.6	-176.3	-3.6	0	0	107.1	A2 K6	A2-Q4 PolarHBondContact O-N 3.15Å; Q4-K6 PolarHBondContact O-N 3.27Å
5	G	56.1	Low	73.8	Confident	67 Å²	67	90.5 Å²	90.5	69%	0.691	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-62.6	130.5	179.2	0	0	0	0	0	109.4	G3	G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.39Å
6	K	58.5	Low	75.2	Confident	195 Å²	195	84.8 Å²	84.8	85%	0.848	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-49	141.6	170.8	-74.2	-179	177.1	179.5	0	109.3	Q4 Q8	Q4-K6 PolarHBondContact O-N 3.27Å; K6-Q8 PolarHBondContact O-N 2.91Å; K6-Q8 VanDerWaalsContact O-N 3.17Å
7	P	67.7	Low	76.5	Confident	123 Å²	123	79.8 Å²	79.8	80%	0.799	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-49.5	126.2	174.4	-24	32.4	0	0	0	109.7	I9	P7-I9 PolarHBondContact O-N 3.36Å
8	Q	81.7	Confident	77.5	Confident	123 Å²	123	76.3 Å²	76.3	58%	0.575	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-70.7	126.1	178.1	-71.2	-177.1	4.5	0	0	109	K6 Q10	K6-Q8 PolarHBondContact O-N 2.91Å; K6-Q8 VanDerWaalsContact O-N 3.17Å; Q8-Q10 PolarHBondContact O-N 2.85Å
9	I	94.4	Very high	78.4	Confident	77 Å²	77	73.5 Å²	73.5	40%	0.395	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	121	178.6	-58.2	175.9	0	0	0	108.2	P7 F11 K60 I169	P7-I9 PolarHBondContact O-N 3.36Å; I9-F11 HydrophobicContact CG2-CD2 4.28Å; I9-F11 HydrophobicContact CG2-CE1 4.37Å; I9-F11 HydrophobicContact CG2-CE2 3.43Å; I9-F11 VanDerWaalsContact CG2-CE2 3.43Å; I9-F11 HydrophobicContact CG2-CZ 3.47Å; I9-F11 VanDerWaalsContact CG2-CZ 3.47Å; I9-K60 PolarHBondContact O-N 3.01Å; I9-I169 HydrophobicContact CD1-CD1 3.98Å; I9-I169 HydrophobicContact CG2-CD1 3.96Å
10	Q	96.9	Very high	79.2	Confident	107 Å²	107	71.1 Å²	71.1	50%	0.5	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.8	178.2	65.9	179.9	6.3	0	0	111.4	Q8 K60 N62	Q8-Q10 PolarHBondContact O-N 2.85Å; Q10-K60 CarbonylContact C-O 3.57Å; Q10-K60 VanDerWaalsContact CA-O 3.23Å; Q10-K60 WeakPolarHBondContact CA-O 3.41Å; Q10-K60 HydrophobicContact CB-CB 3.82Å; Q10-N62 PolarHBondContact OE1-ND2 2.72Å
11	F	98.2	Very high	80	Confident	19 Å²	19	67.7 Å²	67.7	8%	0.083	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137	-180	-59	-71.2	0	0	0	110.7	I9 L13 I59 K60 F61 N62 Q84 L168 I169	I9-F11 HydrophobicContact CG2-CD2 4.28Å; I9-F11 HydrophobicContact CG2-CE1 4.37Å; I9-F11 HydrophobicContact CG2-CE2 3.43Å; I9-F11 VanDerWaalsContact CG2-CE2 3.43Å; I9-F11 HydrophobicContact CG2-CZ 3.47Å; I9-F11 VanDerWaalsContact CG2-CZ 3.47Å; F11-L13 PolarHBondContact O-N 2.82Å; F11-I59 HydrophobicContact CD2-CG2 3.73Å; F11-I59 HydrophobicContact CE2-CG2 3.74Å; F11-K60 PolarHBondContact N-O 3.42Å; F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.06Å; F11-F61 HydrophobicContact CD2-CE1 4.11Å; F11-F61 HydrophobicContact CD2-CZ 4.44Å; F11-F61 HydrophobicContact CG-CE1 4.45Å; F11-F61 CarbonylContact O-C 3.58Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; F11-N62 PolarHBondContact O-N 3.24Å; F11-Q84 VanDerWaalsContact CA-OE1 3.24Å; F11-Q84 HydrophobicContact CB-CB 4.4Å; F11-Q84 HydrophobicContact CD1-CB 4.21Å; F11-L168 HydrophobicContact CB-CD1 4.09Å; F11-L168 HydrophobicContact CD1-CB 4.27Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.13Å; F11-L168 HydrophobicContact CD1-CG 4.36Å; F11-L168 HydrophobicContact CD2-CB 4.4Å; F11-L168 HydrophobicContact CD2-CD1 3.8Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.35Å; F11-L168 HydrophobicContact CE1-CD2 4.26Å; F11-L168 HydrophobicContact CE1-CG 4.38Å; F11-L168 HydrophobicContact CE2-CB 3.94Å; F11-L168 HydrophobicContact CE2-CD1 4.18Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.64Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F11-I169 HydrophobicContact CE2-CD1 4.08Å; F11-I169 HydrophobicContact CZ-CD1 3.93Å
12	K	98.2	Very high	82.8	Confident	26 Å²	26	56.8 Å²	56.8	11%	0.113	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.8	165.1	179.9	171.4	171.4	174.7	0	108.9	W64 Y79 I81 Q84 C85	K12-W64 HydrophobicContact CD-CZ2 4.37Å; K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 2.82Å; K12-I81 PolarHBondContact NZ-O 3.08Å; K12-Q84 PolarHBondContact O-N 2.88Å; K12-C85 PolarHBondContact O-N 2.98Å
13	L	98.4	Very high	85.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.4	173.3	-174.2	153.3	0	0	0	108.6	F11 L15 F61 N62 V63 W64 C85 I87 F161 L164	F11-L13 PolarHBondContact O-N 2.82Å; L13-L15 HydrophobicContact CD2-CB 4.17Å; L13-F61 HydrophobicContact CB-CB 4.46Å; L13-F61 HydrophobicContact CB-CD1 4.08Å; L13-F61 HydrophobicContact CD1-CD1 3.88Å; L13-F61 HydrophobicContact CD1-CE1 4.35Å; L13-F61 HydrophobicContact CD1-CG 4.37Å; L13-N62 PolarHBondContact N-O 3.48Å; L13-V63 HydrophobicContact CB-CG2 4.38Å; L13-V63 HydrophobicContact CD2-CG1 3.96Å; L13-V63 HydrophobicContact CD2-CG2 4.27Å; L13-V63 CarbonylContact O-C 3.59Å; L13-V63 WeakPolarHBondContact O-CA 3.33Å; L13-W64 PolarHBondContact O-N 3.19Å; L13-C85 WeakPolarHBondContact CA-O 3.48Å; L13-I87 HydrophobicContact CD1-CD1 4.03Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.5Å; L13-I87 HydrophobicContact CD2-CD1 4.25Å; L13-I87 HydrophobicContact CD2-CG1 4.24Å; L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.79Å; L13-L164 HydrophobicContact CD1-CD1 3.54Å; L13-L164 HydrophobicContact CG-CD1 4.48Å
14	V	97.4	Very high	88	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127	171.6	-64	0	0	0	0	110.2	V16 W64 Y80 A83 C85 A86 I87 L108	V14-V16 HydrophobicContact CB-CG1 4.47Å; V14-W64 HydrophobicContact CG1-CB 4.2Å; V14-Y80 HydrophobicContact CB-CD1 4.36Å; V14-Y80 HydrophobicContact CG1-CD1 4.33Å; V14-Y80 HydrophobicContact CG2-CD1 4.29Å; V14-A83 HydrophobicContact CB-CB 4.47Å; V14-A83 HydrophobicContact CG1-CB 3.75Å; V14-A83 HydrophobicContact CG2-CB 3.9Å; V14-C85 PolarHBondContact N-O 3.09Å; V14-C85 VanDerWaalsContact N-O 3.09Å; V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 CarbonylContact O-C 3.6Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.38Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; V14-I87 PolarHBondContact O-N 3.23Å; V14-L108 HydrophobicContact CG2-CD1 3.44Å; V14-L108 VanDerWaalsContact CG2-CD1 3.44Å
15	L	97.5	Very high	90.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.4	179.6	177	60.6	0	0	0	108.4	L13 K23 F26 M27 V63 W64 T66 I87 M89	L13-L15 HydrophobicContact CD2-CB 4.17Å; L15-K23 HydrophobicContact CD1-CB 4.42Å; L15-K23 HydrophobicContact CD1-CD 4.42Å; L15-K23 HydrophobicContact CD1-CG 4.12Å; L15-K23 HydrophobicContact CD2-CB 3.69Å; L15-K23 HydrophobicContact CD2-CG 4.29Å; L15-K23 WeakPolarHBondContact CD2-O 3.41Å; L15-K23 HydrophobicContact CG-CB 3.83Å; L15-K23 HydrophobicContact CG-CD 4.02Å; L15-K23 HydrophobicContact CG-CG 3.9Å; L15-F26 HydrophobicContact CD2-CD1 4.38Å; L15-M27 HydrophobicContact CD2-CB 4.38Å; L15-V63 HydrophobicContact CB-CG1 4.08Å; L15-V63 HydrophobicContact CD2-CG1 4.31Å; L15-W64 PolarHBondContact N-O 3.05Å; L15-T66 PolarHBondContact O-N 3.24Å; L15-T66 PolarHBondContact O-OG1 3.33Å; L15-I87 HydrophobicContact CD1-CB 3.74Å; L15-I87 HydrophobicContact CD1-CG2 3.65Å; L15-M89 HydrophobicContact CD1-CE 4.26Å
16	V	96.3	Very high	92.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	166.1	-170	-57.8	0	0	0	0	111.8	V14 K23 T66 Y80 I87 I88 M89 W104	V14-V16 HydrophobicContact CB-CG1 4.47Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.35Å; V16-T66 HydrophobicContact CG1-CG2 4.37Å; V16-Y80 HydrophobicContact CG1-CD1 4.49Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; V16-I87 PolarHBondContact N-O 3.13Å; V16-I88 HydrophobicContact CG2-CB 4.18Å; V16-I88 HydrophobicContact CG2-CG1 3.7Å; V16-I88 HydrophobicContact CG2-CG2 4.27Å; V16-I88 WeakPolarHBondContact O-CA 3.41Å; V16-M89 PolarHBondContact O-N 3.45Å; V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.13Å; V16-W104 HydrophobicContact CG1-CE3 4.45Å; V16-W104 HydrophobicContact CG2-CB 4.42Å; V16-W104 HydrophobicContact CG2-CE3 4.39Å
17	G	96.6	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.			trans	132.3	167.6	-175.8	0	0	0	0	0	111.4	K23 G68 M89 W104	G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 3.1Å; G17-G68 WeakPolarHBondContact O-CA 3.33Å; G17-M89 WeakPolarHBondContact CA-O 3.33Å; G17-W104 VanDerWaalsContact C-CE2 3.44Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.29Å
18	D	95.6	Very high	95.1	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.091	14%	0.144	C	C	.	.			trans	-56.3	160.2	-174.3	-75.8	15	0	0	0	113.8	T21 K23 T97 N100 W104	D18-T21 HydrophobicContact CB-CG2 3.87Å; D18-T21 WeakPolarHBondContact O-CG2 3.34Å; D18-T21 PolarHBondContact O-OG1 3.36Å; D18-K23 PolarHBondContact O-NZ 3.21Å; D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.46Å; D18-N100 WeakPolarHBondContact OD1-CB 3.44Å; D18-N100 PolarHBondContact OD2-ND2 2.68Å; D18-W104 PolarHBondContact OD1-NE1 3.37Å
19	G	94.2	Very high	95.5	Very high	22 Å²	22	20.7 Å²	20.7	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	141.8	169.2	0	0	0	0	0	111.3	T21 G68	G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.94Å; G19-G68 PolarHBondContact N-O 2.98Å
20	G	94.3	Very high	95.2	Very high	26 Å²	26	17.7 Å²	17.7	27%	0.268	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	0.1	176.3	0	0	0	0	0	115.7	G22 K123	G20-G22 PolarHBondContact O-N 2.57Å; G20-K123 WeakPolarHBondContact O-CE 3.33Å; G20-K123 PolarHBondContact O-NZ 3.29Å
21	T	96.7	Very high	94.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-68.6	-18.1	176.5	57.9	0	0	0	0	113.7	D18 G19 D91 T97 N122	D18-T21 HydrophobicContact CB-CG2 3.87Å; D18-T21 WeakPolarHBondContact O-CG2 3.34Å; D18-T21 PolarHBondContact O-OG1 3.36Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.94Å; T21-D91 HydrophobicContact CG2-CB 4.32Å; T21-T97 HydrophobicContact CG2-CG2 3.86Å; T21-N122 PolarHBondContact O-ND2 2.91Å
22	G	96	Very high	94.2	Very high	14 Å²	14	19.4 Å²	19.4	14%	0.144	12%	0.117	C	C	.	.	S	Bend	trans	103.2	15.5	176.4	0	0	0	0	0	115.3	G20 T24 T25 F26	G20-G22 PolarHBondContact O-N 2.57Å; G22-T24 PolarHBondContact O-N 3.24Å; G22-T25 PolarHBondContact O-N 3.23Å; G22-F26 WeakPolarHBondContact O-CB 3.48Å; G22-F26 PolarHBondContact O-N 2.97Å
23	K	96.4	Very high	93.5	Very high	10 Å²	10	18.2 Å²	18.2	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-50.7	-55	178.5	-64	-175.5	-52.7	-71.2	0	113.4	L15 V16 G17 D18 T25 F26 M27 D65 T66 M89	L15-K23 HydrophobicContact CD1-CB 4.42Å; L15-K23 HydrophobicContact CD1-CD 4.42Å; L15-K23 HydrophobicContact CD1-CG 4.12Å; L15-K23 HydrophobicContact CD2-CB 3.69Å; L15-K23 HydrophobicContact CD2-CG 4.29Å; L15-K23 WeakPolarHBondContact CD2-O 3.41Å; L15-K23 HydrophobicContact CG-CB 3.83Å; L15-K23 HydrophobicContact CG-CD 4.02Å; L15-K23 HydrophobicContact CG-CG 3.9Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.35Å; G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 3.1Å; D18-K23 PolarHBondContact O-NZ 3.21Å; K23-T25 PolarHBondContact O-N 3.01Å; K23-F26 WeakPolarHBondContact O-CB 3.47Å; K23-F26 PolarHBondContact O-N 3.09Å; K23-M27 PolarHBondContact O-N 3.41Å; K23-D65 VanDerWaalsContact CB-OD1 3.32Å; K23-D65 WeakPolarHBondContact CB-OD1 3.34Å; K23-T66 WeakPolarHBondContact CE-O 3.37Å; K23-M89 HydrophobicContact CG-CB 4.06Å; K23-M89 HydrophobicContact CG-SD 4.09Å
24	T	94.5	Very high	92.7	Very high	22 Å²	22	24.6 Å²	24.6	14%	0.135	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-42.4	179.2	-47.6	0	0	0	0	111.9	G22 F26 M27 K28 T42 D65	G22-T24 PolarHBondContact O-N 3.24Å; T24-F26 PolarHBondContact O-N 2.8Å; T24-M27 PolarHBondContact O-N 3.04Å; T24-K28 HydrophobicContact CG2-CD 4.17Å; T24-K28 HydrophobicContact CG2-CG 4.3Å; T24-K28 WeakPolarHBondContact O-CB 3.18Å; T24-K28 WeakPolarHBondContact O-CG 3.28Å; T24-K28 PolarHBondContact O-N 2.92Å; T24-T42 PolarHBondContact OG1-OG1 3Å; T24-D65 VanDerWaalsContact CA-OD2 3.29Å; T24-D65 WeakPolarHBondContact CA-OD2 3.41Å; T24-D65 VanDerWaalsContact CB-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.44Å; T24-D65 PolarHBondContact OG1-OD2 3.32Å
25	T	94.6	Very high	92.1	Very high	24 Å²	24	26.7 Å²	26.7	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-44.8	174.9	-50.7	0	0	0	0	111.3	G22 K23 M27 K28 R29 F35 E36 A151	G22-T25 PolarHBondContact O-N 3.23Å; K23-T25 PolarHBondContact O-N 3.01Å; T25-M27 PolarHBondContact O-N 3.34Å; T25-K28 PolarHBondContact O-N 3.19Å; T25-R29 WeakPolarHBondContact O-CB 3.24Å; T25-R29 PolarHBondContact O-N 3.42Å; T25-F35 HydrophobicContact CG2-CD2 3.55Å; T25-F35 HydrophobicContact CG2-CE2 3.4Å; T25-F35 HydrophobicContact CG2-CG 4.4Å; T25-F35 HydrophobicContact CG2-CZ 4.14Å; T25-E36 HydrophobicContact CG2-CB 4.33Å; T25-A151 HydrophobicContact CG2-CB 4.18Å
26	F	94.9	Very high	91.4	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-42.3	177	174	-96.1	0	0	0	112.3	L15 G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161	L15-F26 HydrophobicContact CD2-CD1 4.38Å; G22-F26 WeakPolarHBondContact O-CB 3.48Å; G22-F26 PolarHBondContact O-N 2.97Å; K23-F26 WeakPolarHBondContact O-CB 3.47Å; K23-F26 PolarHBondContact O-N 3.09Å; T24-F26 PolarHBondContact O-N 2.8Å; F26-H30 AromaticContact CE1-CE1 3.94Å; F26-H30 AromaticContact CE2-CE1 3.54Å; F26-H30 AromaticContact CZ-CE1 3.43Å; F26-H30 VanDerWaalsContact CZ-CE1 3.43Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.4Å; F26-H30 AromaticContact CZ-ND1 4Å; F26-H30 PolarHBondContact O-N 2.91Å; F26-H30 PolarHBondContact O-ND1 3.48Å; F26-I87 HydrophobicContact CE1-CD1 4.13Å; F26-I87 HydrophobicContact CZ-CD1 4.49Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.95Å; F26-M89 HydrophobicContact CD2-CE 4.16Å; F26-M89 HydrophobicContact CG-CE 3.7Å; F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; F26-A151 HydrophobicContact CB-CB 4.25Å; F26-F157 HydrophobicContact CB-CE2 4.47Å; F26-F157 AromaticContact CD2-CD2 3.61Å; F26-F157 HydrophobicContact CD2-CD2 3.61Å; F26-F157 AromaticContact CD2-CE2 3.28Å; F26-F157 HydrophobicContact CD2-CE2 3.28Å; F26-F157 HydrophobicContact CD2-CZ 4.22Å; F26-F157 AromaticContact CE2-CD2 3.6Å; F26-F157 HydrophobicContact CE2-CD2 3.6Å; F26-F157 AromaticContact CE2-CE2 3.68Å; F26-F157 HydrophobicContact CE2-CE2 3.68Å; F26-F157 HydrophobicContact CE2-CG 4.38Å; F26-F157 HydrophobicContact CG-CE2 4.05Å; F26-F157 WeakPolarHBondContact O-CZ 3.36Å; F26-P160 HydrophobicContact CZ-CG 4.44Å; F26-F161 AromaticContact CE1-CE2 3.49Å; F26-F161 HydrophobicContact CE1-CE2 3.49Å; F26-F161 VanDerWaalsContact CE1-CE2 3.49Å; F26-F161 AromaticContact CE1-CZ 3.85Å; F26-F161 HydrophobicContact CE1-CZ 3.85Å; F26-F161 HydrophobicContact CZ-CD2 4.23Å; F26-F161 AromaticContact CZ-CE2 3.5Å; F26-F161 HydrophobicContact CZ-CE2 3.5Å; F26-F161 VanDerWaalsContact CZ-CE2 3.5Å; F26-F161 HydrophobicContact CZ-CZ 4.31Å
27	M	93.2	Very high	90.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-53.6	175.1	-177	-63.4	-57.1	0	0	110.6	L15 K23 T24 T25 R29 H30 L31 H48 V63	L15-M27 HydrophobicContact CD2-CB 4.38Å; K23-M27 PolarHBondContact O-N 3.41Å; T24-M27 PolarHBondContact O-N 3.04Å; T25-M27 PolarHBondContact O-N 3.34Å; M27-R29 PolarHBondContact O-N 2.7Å; M27-H30 WeakPolarHBondContact O-CA 3.19Å; M27-H30 WeakPolarHBondContact O-CB 3.33Å; M27-H30 PolarHBondContact O-N 3.36Å; M27-L31 PolarHBondContact O-N 3.02Å; M27-L31 HydrophobicContact SD-CB 4.05Å; M27-L31 HydrophobicContact SD-CD2 4.16Å; M27-H48 HydrophobicContact CE-CB 4.37Å; M27-H48 WeakPolarHBondContact CE-CD2 3.26Å; M27-H48 VanDerWaalsContact CE-CE1 3.48Å; M27-H48 WeakPolarHBondContact CE-CE1 3.47Å; M27-H48 VanDerWaalsContact CE-NE2 3.25Å; M27-H48 WeakPolarHBondContact CE-NE2 3.43Å; M27-H48 HydrophobicContact CG-CB 3.99Å; M27-H48 HydrophobicContact SD-CB 3.37Å; M27-H48 WeakPolarHBondContact SD-CB 3.39Å; M27-H48 PolarHBondContact SD-CD2 3.36Å; M27-V63 HydrophobicContact CG-CG1 4.15Å
28	K	90.4	Very high	90.5	Very high	65 Å²	65	43.8 Å²	43.8	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-39.9	-175.4	-80	-174.9	170.2	178	0	110.6	T24 T25 H30 L31 T32 E36	T24-K28 HydrophobicContact CG2-CD 4.17Å; T24-K28 HydrophobicContact CG2-CG 4.3Å; T24-K28 WeakPolarHBondContact O-CB 3.18Å; T24-K28 WeakPolarHBondContact O-CG 3.28Å; T24-K28 PolarHBondContact O-N 2.92Å; T25-K28 PolarHBondContact O-N 3.19Å; K28-H30 VanDerWaalsContact C-N 3.3Å; K28-H30 PolarHBondContact O-N 3.41Å; K28-L31 PolarHBondContact O-N 2.86Å; K28-T32 PolarHBondContact O-N 2.77Å; K28-T32 PolarHBondContact O-OG1 2.82Å; K28-T32 VanDerWaalsContact O-OG1 3.11Å; K28-E36 HydrophobicContact CD-CB 4.24Å; K28-E36 HydrophobicContact CD-CG 4.42Å; K28-E36 IonicContact NZ-OE2 2.71Å; K28-E36 PolarHBondContact NZ-OE2 3.21Å
29	R	90.3	Very high	90.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-32.5	177.5	-175.9	74.2	171.1	-173.8	-8.7	112.7	T25 M27 G33 E34 F35 N154 F157 L182 A183 P184 P185	T25-R29 WeakPolarHBondContact O-CB 3.24Å; T25-R29 PolarHBondContact O-N 3.42Å; M27-R29 PolarHBondContact O-N 2.7Å; R29-G33 WeakPolarHBondContact CD-O 3.41Å; R29-G33 PolarHBondContact NE-O 2.99Å; R29-G33 PolarHBondContact NH1-O 3.44Å; R29-G33 WeakPolarHBondContact O-CA 3.36Å; R29-G33 PolarHBondContact O-N 3.11Å; R29-G33 VanDerWaalsContact O-N 3.15Å; R29-E34 WeakPolarHBondContact CA-O 3.18Å; R29-E34 WeakPolarHBondContact CD-O 3.26Å; R29-F35 VanDerWaalsContact NH1-N 3.16Å; R29-N154 PolarHBondContact NE-OD1 3.28Å; R29-N154 PolarHBondContact NH2-ND2 2.91Å; R29-N154 PolarHBondContact NH2-OD1 3.39Å; R29-F157 HydrophobicContact CB-CE1 4.25Å; R29-F157 HydrophobicContact CB-CE2 4.15Å; R29-F157 HydrophobicContact CB-CZ 3.46Å; R29-F157 VanDerWaalsContact CB-CZ 3.46Å; R29-F157 HydrophobicContact CG-CE1 3.88Å; R29-F157 HydrophobicContact CG-CE2 4Å; R29-F157 HydrophobicContact CG-CZ 3.39Å; R29-L182 VanDerWaalsContact O-CD2 3.23Å; R29-L182 WeakPolarHBondContact O-CD2 3.08Å; R29-A183 PolarHBondContact NH2-O 2.92Å; R29-P184 VanDerWaalsContact NH2-C 3.34Å; R29-P184 PolarHBondContact NH2-O 3.45Å; R29-P185 VanDerWaalsContact NH2-CA 3.29Å
30	H	89.4	Confident	89.8	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.06	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-32.6	169.2	-80	91.6	0	0	0	113	F26 M27 K28 L50 F52 F157 F161	F26-H30 AromaticContact CE1-CE1 3.94Å; F26-H30 AromaticContact CE2-CE1 3.54Å; F26-H30 AromaticContact CZ-CE1 3.43Å; F26-H30 VanDerWaalsContact CZ-CE1 3.43Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.4Å; F26-H30 AromaticContact CZ-ND1 4Å; F26-H30 PolarHBondContact O-N 2.91Å; F26-H30 PolarHBondContact O-ND1 3.48Å; M27-H30 WeakPolarHBondContact O-CA 3.19Å; M27-H30 WeakPolarHBondContact O-CB 3.33Å; M27-H30 PolarHBondContact O-N 3.36Å; K28-H30 VanDerWaalsContact C-N 3.3Å; K28-H30 PolarHBondContact O-N 3.41Å; H30-L50 HydrophobicContact CB-CD1 3.55Å; H30-L50 HydrophobicContact CB-CD2 3.7Å; H30-L50 HydrophobicContact CB-CG 4.27Å; H30-F52 AromaticContact CD2-CZ 3.81Å; H30-F157 HydrophobicContact CB-CE1 4.16Å; H30-F157 HydrophobicContact CB-CZ 4.39Å; H30-F157 AromaticContact CD2-CD1 3.83Å; H30-F157 AromaticContact CD2-CE1 3.51Å; H30-F157 AromaticContact CE1-CD1 3.18Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.14Å; H30-F157 AromaticContact CE1-CD2 3.7Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.07Å; H30-F157 AromaticContact CE1-CE2 3.51Å; H30-F157 AromaticContact CE1-CG 3.52Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.3Å; H30-F157 PolarHBondContact CE1-O 2.95Å; H30-F157 VanDerWaalsContact CE1-O 3.31Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.65Å; H30-F157 AromaticContact ND1-CD1 3.76Å; H30-F157 AromaticContact ND1-CE1 3.05Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.36Å; H30-F157 AromaticContact ND1-CE2 3.65Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.26Å; H30-F157 VanDerWaalsContact NE2-CD1 3.26Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.4Å; H30-F157 AromaticContact NE2-CE1 3.34Å; H30-F157 VanDerWaalsContact NE2-CE1 3.34Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.87Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 2.98Å; H30-F161 AromaticContact CD2-CE2 3.88Å; H30-F161 AromaticContact CE1-CD2 3.9Å; H30-F161 AromaticContact CE1-CE2 3.36Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.73Å; H30-F161 AromaticContact NE2-CD2 3.55Å; H30-F161 AromaticContact NE2-CE2 3.41Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.29Å
31	L	87.3	Confident	89.6	Confident	83 Å²	83	54 Å²	54	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-80.1	-49.4	-173.6	-175.4	66.3	0	0	0	112.8	M27 K28 H48 L50	M27-L31 PolarHBondContact O-N 3.02Å; M27-L31 HydrophobicContact SD-CB 4.05Å; M27-L31 HydrophobicContact SD-CD2 4.16Å; K28-L31 PolarHBondContact O-N 2.86Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.44Å; L31-L50 HydrophobicContact CB-CD2 4.06Å; L31-L50 HydrophobicContact CD1-CD2 4.16Å
32	T	85.1	Confident	89	Confident	79 Å²	79	54.6 Å²	54.6	49%	0.485	28%	0.275	S	S	.	.	H	α-helix	trans	-112.2	-11.8	-172.9	63.6	0	0	0	0	112.6	K28 E34	K28-T32 PolarHBondContact O-N 2.77Å; K28-T32 PolarHBondContact O-OG1 2.82Å; K28-T32 VanDerWaalsContact O-OG1 3.11Å; T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 WeakPolarHBondContact OG1-CB 3.18Å; T32-E34 PolarHBondContact OG1-N 3.35Å
33	G	83.8	Confident	88.5	Confident	1 Å²	1	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	77.3	-8.6	-169.5	0	0	0	0	0	113.5	R29 A183	R29-G33 WeakPolarHBondContact CD-O 3.41Å; R29-G33 PolarHBondContact NE-O 2.99Å; R29-G33 PolarHBondContact NH1-O 3.44Å; R29-G33 WeakPolarHBondContact O-CA 3.36Å; R29-G33 PolarHBondContact O-N 3.11Å; R29-G33 VanDerWaalsContact O-N 3.15Å; G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.02Å; G33-A183 VanDerWaalsContact O-N 3.15Å
34	E	82.5	Confident	88	Confident	136 Å²	136	60 Å²	60	64%	0.636	30%	0.302	S	S	*	.			trans	-85.6	148.1	-174.7	-62.7	179.1	168.9	0	0	112.6	R29 T32	R29-E34 WeakPolarHBondContact CA-O 3.18Å; R29-E34 WeakPolarHBondContact CD-O 3.26Å; T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 WeakPolarHBondContact OG1-CB 3.18Å; T32-E34 PolarHBondContact OG1-N 3.35Å
35	F	83.9	Confident	87.9	Confident	44 Å²	44	60.8 Å²	60.8	19%	0.193	31%	0.307	C	S	.	.			trans	-97.7	114.7	174.6	-179.3	-97.8	0	0	0	110	T25 R29 K37 A151 K152 E186	T25-F35 HydrophobicContact CG2-CD2 3.55Å; T25-F35 HydrophobicContact CG2-CE2 3.4Å; T25-F35 HydrophobicContact CG2-CG 4.4Å; T25-F35 HydrophobicContact CG2-CZ 4.14Å; R29-F35 VanDerWaalsContact NH1-N 3.16Å; F35-K37 HydrophobicContact CD1-CG 3.74Å; F35-K37 HydrophobicContact CE1-CG 3.92Å; F35-K37 PolarHBondContact O-N 3.43Å; F35-A151 WeakPolarHBondContact CD2-O 3.14Å; F35-K152 HydrophobicContact CD2-CB 4.23Å; F35-K152 HydrophobicContact CD2-CG 4.23Å; F35-K152 HydrophobicContact CE1-CG 4.08Å; F35-K152 VanDerWaalsContact CE2-CA 3.43Å; F35-K152 HydrophobicContact CE2-CB 3.58Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.91Å; F35-K152 HydrophobicContact CZ-CD 4.15Å; F35-K152 HydrophobicContact CZ-CG 3.64Å; F35-E186 HydrophobicContact CB-CG 3.6Å; F35-E186 HydrophobicContact CD1-CB 4.47Å; F35-E186 HydrophobicContact CD1-CG 3.74Å; F35-E186 HydrophobicContact CG-CG 3.79Å
36	E	83.8	Confident	87.8	Confident	69 Å²	69	63.4 Å²	63.4	32%	0.322	32%	0.317	S	S	.	.			trans	-75.1	111.3	175.3	-173	67.1	-100.9	0	0	110.4	T25 K28 E38	T25-E36 HydrophobicContact CG2-CB 4.33Å; K28-E36 HydrophobicContact CD-CB 4.24Å; K28-E36 HydrophobicContact CD-CG 4.42Å; K28-E36 IonicContact NZ-OE2 2.71Å; K28-E36 PolarHBondContact NZ-OE2 3.21Å; E36-E38 WeakPolarHBondContact CG-O 3.14Å
37	K	85.3	Confident	87.8	Confident	145 Å²	145	67 Å²	67	63%	0.63	34%	0.339	S	S	*	.			trans	-83.2	-34.1	-179.1	-67.6	-179.5	-178.8	178.7	0	112.4	F35 E186	F35-K37 HydrophobicContact CD1-CG 3.74Å; F35-K37 HydrophobicContact CE1-CG 3.92Å; F35-K37 PolarHBondContact O-N 3.43Å; K37-E186 VanDerWaalsContact CE-CD 3.48Å; K37-E186 WeakPolarHBondContact CE-OE2 3.36Å; K37-E186 IonicContact NZ-OE1 3.69Å; K37-E186 IonicContact NZ-OE2 2.76Å; K37-E186 PolarHBondContact NZ-OE2 3.5Å
38	E	87.9	Confident	87.8	Confident	146 Å²	146	68.6 Å²	68.6	68%	0.682	35%	0.347	S	S	*	.	S	Bend	trans	-87.3	132.1	-176.5	-65.6	-170.9	175	0	0	110.8	E36 V40	E36-E38 WeakPolarHBondContact CG-O 3.14Å; E38-V40 PolarHBondContact O-N 3.34Å
39	Y	87.6	Confident	88	Confident	137 Å²	137	68.6 Å²	68.6	54%	0.537	35%	0.352	S	S	.	.			trans	-82.9	105.7	173.8	177.7	-114.1	0	0	0	110.4	A41 Q69	Y39-A41 HydrophobicContact CE1-CB 4.17Å; Y39-A41 WeakPolarHBondContact OH-CB 3.27Å; Y39-Q69 PolarHBondContact OH-NE2 3.44Å
40	V	88.5	Confident	88.2	Confident	109 Å²	109	68.8 Å²	68.8	66%	0.661	35%	0.354	S	S	*	.			trans	-107.4	120.3	164.7	-175.8	0	0	0	0	108	E38 T42	E38-V40 PolarHBondContact O-N 3.34Å; V40-T42 PolarHBondContact O-N 2.88Å
41	A	89	Confident	88.4	Confident	33 Å²	33	71 Å²	71	27%	0.273	37%	0.368	S	S	.	.			trans	-68.4	124.7	179.7	0	0	0	0	0	110.8	Y39 L43 Q69	Y39-A41 HydrophobicContact CE1-CB 4.17Å; Y39-A41 WeakPolarHBondContact OH-CB 3.27Å; A41-L43 PolarHBondContact O-N 3.43Å; A41-Q69 HydrophobicContact CB-CG 4.46Å
42	T	84	Confident	88.7	Confident	12 Å²	12	67.3 Å²	67.3	7%	0.074	35%	0.348	C	S	.	.			trans	-54.7	133.9	171.6	-36.6	0	0	0	0	110.3	T24 V40 E46 A67	T24-T42 PolarHBondContact OG1-OG1 3Å; V40-T42 PolarHBondContact O-N 2.88Å; T42-E46 HydrophobicContact CG2-CG 4.04Å; T42-A67 WeakPolarHBondContact O-CB 3.4Å
43	L	86.1	Confident	89	Confident	128 Å²	128	68.2 Å²	68.2	67%	0.67	35%	0.347	S	S	*	.			trans	-99.3	110.7	174.4	-60.1	179.2	0	0	0	108.8	A41 V45 F72	A41-L43 PolarHBondContact O-N 3.43Å; L43-V45 PolarHBondContact O-N 3.24Å; L43-V45 VanDerWaalsContact O-N 3.08Å; L43-F72 HydrophobicContact CD2-CE1 4.5Å; L43-F72 HydrophobicContact CD2-CE2 4.08Å; L43-F72 HydrophobicContact CD2-CZ 3.58Å
44	G	86.4	Confident	89.5	Confident	9 Å²	9	68.6 Å²	68.6	9%	0.093	35%	0.349	C	S	.	.	S	Bend	trans	69.9	-101.4	-177.8	0	0	0	0	0	112.7	A67 Y79	G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.25Å; G44-Y79 VanDerWaalsContact CA-OH 3.29Å; G44-Y79 WeakPolarHBondContact CA-OH 3.31Å
45	V	90.9	Very high	90.1	Very high	39 Å²	39	64.9 Å²	64.9	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141.7	-179.7	67.3	0	0	0	0	111.4	L43 V47 W64 D65 T66 Y79	L43-V45 PolarHBondContact O-N 3.24Å; L43-V45 VanDerWaalsContact O-N 3.08Å; V45-V47 HydrophobicContact CG2-CG2 4.37Å; V45-W64 HydrophobicContact CG1-CE3 4.41Å; V45-W64 HydrophobicContact CG2-CB 3.85Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.88Å; V45-W64 HydrophobicContact CG2-CG 4.37Å; V45-D65 VanDerWaalsContact CA-O 3.3Å; V45-D65 WeakPolarHBondContact CA-O 3.26Å; V45-D65 WeakPolarHBondContact CG2-O 3.38Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; V45-Y79 HydrophobicContact CB-CD1 3.93Å; V45-Y79 HydrophobicContact CB-CD2 4.43Å; V45-Y79 HydrophobicContact CB-CE1 3.77Å; V45-Y79 HydrophobicContact CB-CE2 4.29Å; V45-Y79 HydrophobicContact CB-CG 4.26Å; V45-Y79 HydrophobicContact CG1-CD1 3.64Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.46Å; V45-Y79 HydrophobicContact CG2-CD1 4.5Å
46	E	92.9	Very high	90.6	Very high	79 Å²	79	69.4 Å²	69.4	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.6	163.3	-65.1	-176.6	-171.6	0	0	109.8	T42 H48 D65	T42-E46 HydrophobicContact CG2-CG 4.04Å; E46-H48 WeakPolarHBondContact CB-NE2 3.31Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 IonicContact OE2-NE2 3.31Å; E46-H48 PolarHBondContact OE2-NE2 2.94Å; E46-H48 VanDerWaalsContact OE2-NE2 3.07Å; E46-D65 PolarHBondContact N-O 3.09Å; E46-D65 PolarHBondContact O-N 2.75Å
47	V	94.7	Very high	91.1	Very high	77 Å²	77	67.5 Å²	67.5	47%	0.467	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.2	-178.5	-175.3	0	0	0	0	110	V45 V63 W64	V45-V47 HydrophobicContact CG2-CG2 4.37Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; V47-W64 HydrophobicContact CG2-CD2 3.84Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.03Å; V47-W64 HydrophobicContact CG2-CZ2 4.29Å
48	H	94.4	Very high	91.5	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.157	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.8	-177.5	-62.7	-86.3	0	0	0	110.2	M27 L31 E46 N62 V63	M27-H48 HydrophobicContact CE-CB 4.37Å; M27-H48 WeakPolarHBondContact CE-CD2 3.26Å; M27-H48 VanDerWaalsContact CE-CE1 3.48Å; M27-H48 WeakPolarHBondContact CE-CE1 3.47Å; M27-H48 VanDerWaalsContact CE-NE2 3.25Å; M27-H48 WeakPolarHBondContact CE-NE2 3.43Å; M27-H48 HydrophobicContact CG-CB 3.99Å; M27-H48 HydrophobicContact SD-CB 3.37Å; M27-H48 WeakPolarHBondContact SD-CB 3.39Å; M27-H48 PolarHBondContact SD-CD2 3.36Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.44Å; E46-H48 WeakPolarHBondContact CB-NE2 3.31Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 IonicContact OE2-NE2 3.31Å; E46-H48 PolarHBondContact OE2-NE2 2.94Å; E46-H48 VanDerWaalsContact OE2-NE2 3.07Å; H48-N62 CarbonylContact O-C 3.55Å; H48-V63 PolarHBondContact N-O 3.49Å; H48-V63 PolarHBondContact O-N 2.99Å
49	T	94.6	Very high	91.8	Very high	65 Å²	65	56.6 Å²	56.6	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113	177	-57.4	0	0	0	0	110	V51 K60 F61 N62	T49-V51 HydrophobicContact CG2-CG2 4.42Å; T49-K60 HydrophobicContact CG2-CB 4.22Å; T49-K60 HydrophobicContact CG2-CD 4.1Å; T49-K60 HydrophobicContact CG2-CG 4.42Å; T49-F61 WeakPolarHBondContact CA-O 3.23Å; T49-N62 PolarHBondContact OG1-OD1 3.44Å
50	L	93.9	Very high	92.2	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.7	171.5	-60.6	-179	0	0	0	110.1	H30 L31 F52 K60 F61 V63 F161	H30-L50 HydrophobicContact CB-CD1 3.55Å; H30-L50 HydrophobicContact CB-CD2 3.7Å; H30-L50 HydrophobicContact CB-CG 4.27Å; L31-L50 HydrophobicContact CB-CD2 4.06Å; L31-L50 HydrophobicContact CD1-CD2 4.16Å; L50-F52 HydrophobicContact CB-CE2 3.82Å; L50-F52 HydrophobicContact CD1-CE2 4.42Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.24Å; L50-F61 PolarHBondContact N-O 3.19Å; L50-F61 PolarHBondContact O-N 2.86Å; L50-V63 HydrophobicContact CD1-CG2 3.87Å; L50-V63 HydrophobicContact CG-CG2 4.15Å; L50-F161 HydrophobicContact CD1-CE1 3.86Å; L50-F161 HydrophobicContact CD1-CE2 4.28Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å
51	V	93	Very high	92.6	Very high	60 Å²	60	47.5 Å²	47.5	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120	179.6	-170.2	0	0	0	0	109.9	T49 P58 I59 K60	T49-V51 HydrophobicContact CG2-CG2 4.42Å; V51-P58 HydrophobicContact CG1-CB 4.02Å; V51-I59 WeakPolarHBondContact CA-O 3.45Å; V51-K60 HydrophobicContact CG1-CG 4.43Å; V51-K60 HydrophobicContact CG2-CG 4.1Å
52	F	93.2	Very high	93	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.3	174.9	-64.7	-93	0	0	0	109.6	H30 L50 P58 I59 F61 F161 F176 P180	H30-F52 AromaticContact CD2-CZ 3.81Å; L50-F52 HydrophobicContact CB-CE2 3.82Å; L50-F52 HydrophobicContact CD1-CE2 4.42Å; F52-P58 CarbonylContact O-C 3.6Å; F52-P58 WeakPolarHBondContact O-CA 3.23Å; F52-I59 PolarHBondContact N-O 3.3Å; F52-I59 PolarHBondContact O-N 3.05Å; F52-F61 AromaticContact CD2-CD2 3.72Å; F52-F61 HydrophobicContact CD2-CD2 3.72Å; F52-F61 HydrophobicContact CD2-CE2 4.1Å; F52-F61 AromaticContact CE2-CD2 3.84Å; F52-F61 HydrophobicContact CE2-CD2 3.84Å; F52-F61 HydrophobicContact CE2-CE2 4.41Å; F52-F161 HydrophobicContact CD2-CB 4.48Å; F52-F161 HydrophobicContact CD2-CD1 4.49Å; F52-F161 HydrophobicContact CE1-CB 4Å; F52-F161 HydrophobicContact CE1-CD2 4.31Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.9Å; F52-F161 AromaticContact CE2-CD1 3.51Å; F52-F161 HydrophobicContact CE2-CD1 3.51Å; F52-F161 HydrophobicContact CE2-CD2 4.24Å; F52-F161 HydrophobicContact CE2-CE1 4.03Å; F52-F161 AromaticContact CE2-CG 3.62Å; F52-F161 HydrophobicContact CE2-CG 3.62Å; F52-F161 HydrophobicContact CZ-CB 3.63Å; F52-F161 AromaticContact CZ-CD1 3.73Å; F52-F161 HydrophobicContact CZ-CD1 3.73Å; F52-F161 AromaticContact CZ-CD2 3.56Å; F52-F161 HydrophobicContact CZ-CD2 3.56Å; F52-F161 HydrophobicContact CZ-CE1 4.24Å; F52-F161 HydrophobicContact CZ-CE2 4.11Å; F52-F161 AromaticContact CZ-CG 3.34Å; F52-F161 HydrophobicContact CZ-CG 3.34Å; F52-F161 HydrophobicContact CZ-CZ 4.42Å; F52-F176 HydrophobicContact CB-CD1 4.33Å; F52-F176 HydrophobicContact CB-CE1 3.81Å; F52-F176 HydrophobicContact CB-CE2 4.36Å; F52-F176 HydrophobicContact CB-CZ 3.82Å; F52-F176 AromaticContact CD1-CD2 3.98Å; F52-F176 HydrophobicContact CD1-CD2 3.98Å; F52-F176 HydrophobicContact CD1-CE1 4.38Å; F52-F176 AromaticContact CD1-CE2 3.39Å; F52-F176 HydrophobicContact CD1-CE2 3.39Å; F52-F176 AromaticContact CD1-CZ 3.61Å; F52-F176 HydrophobicContact CD1-CZ 3.61Å; F52-F176 AromaticContact CE1-CE2 3.91Å; F52-F176 HydrophobicContact CE1-CE2 3.91Å; F52-F176 HydrophobicContact CE1-CZ 4.34Å; F52-F176 HydrophobicContact CG-CE1 4.28Å; F52-F176 HydrophobicContact CG-CE2 4.05Å; F52-F176 AromaticContact CG-CZ 3.76Å; F52-F176 HydrophobicContact CG-CZ 3.76Å; F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 3.96Å
53	H	93.2	Very high	93.7	Very high	98 Å²	98	46.9 Å²	46.9	45%	0.454	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.5	177.7	-67.9	85	0	0	0	109.4	F176 V177 A178	H53-F176 WeakPolarHBondContact O-CA 3.36Å; H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.27Å; H53-V177 PolarHBondContact O-N 3.47Å; H53-A178 HydrophobicContact CB-CB 4.48Å
54	T	94.5	Very high	94.2	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	167.9	-177.2	81.2	0	0	0	0	111.6	R56 G57 I59 L174 E175 F176	T54-R56 PolarHBondContact O-N 3.38Å; T54-R56 PolarHBondContact OG1-N 3.45Å; T54-G57 WeakPolarHBondContact CB-O 3.34Å; T54-G57 PolarHBondContact N-O 3.34Å; T54-G57 PolarHBondContact O-N 3.17Å; T54-G57 PolarHBondContact OG1-N 3.21Å; T54-G57 PolarHBondContact OG1-O 2.9Å; T54-I59 HydrophobicContact CG2-CD1 3.81Å; T54-I59 HydrophobicContact CG2-CG1 4.06Å; T54-L174 HydrophobicContact CG2-CD1 4.39Å; T54-L174 HydrophobicContact CG2-CD2 3.94Å; T54-L174 HydrophobicContact CG2-CG 4.28Å; T54-E175 CarbonylContact C-O 3.5Å; T54-E175 WeakPolarHBondContact CA-O 3.39Å; T54-E175 WeakPolarHBondContact CB-O 3.32Å; T54-F176 HydrophobicContact CG2-CD1 3.8Å; T54-F176 HydrophobicContact CG2-CE1 3.93Å
55	N	95.1	Very high	94.6	Very high	58 Å²	58	43.5 Å²	43.5	31%	0.31	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	1.2	168.5	67.2	-17.7	0	0	0	114	N173 L174 E175 V177	N55-N173 PolarHBondContact ND2-O 3.29Å; N55-L174 WeakPolarHBondContact OD1-CA 3.39Å; N55-E175 PolarHBondContact N-O 3.15Å; N55-E175 PolarHBondContact OD1-N 3.13Å; N55-E175 PolarHBondContact OD1-O 3.02Å; N55-V177 HydrophobicContact CB-CG1 3.98Å
56	R	94.1	Very high	94.6	Very high	140 Å²	140	41.7 Å²	41.7	53%	0.528	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	5.5	172.1	-57.4	-62.6	179.7	-102.5	-6.8	113.1	T54 D171	T54-R56 PolarHBondContact O-N 3.38Å; T54-R56 PolarHBondContact OG1-N 3.45Å; R56-D171 IonicContact CZ-OD2 3.09Å; R56-D171 VanDerWaalsContact CZ-OD2 3.23Å; R56-D171 IonicContact NE-OD2 3.32Å; R56-D171 PolarHBondContact NE-OD2 2.9Å; R56-D171 IonicContact NH2-OD2 2.74Å; R56-D171 PolarHBondContact NH2-OD2 2.82Å
57	G	93.2	Very high	94.4	Very high	28 Å²	28	38.1 Å²	38.1	29%	0.289	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	106	-177.2	-175.5	0	0	0	0	0	113.3	T54	T54-G57 WeakPolarHBondContact CB-O 3.34Å; T54-G57 PolarHBondContact N-O 3.34Å; T54-G57 PolarHBondContact O-N 3.17Å; T54-G57 PolarHBondContact OG1-N 3.21Å; T54-G57 PolarHBondContact OG1-O 2.9Å
58	P	93.6	Very high	93.8	Very high	60 Å²	60	34.9 Å²	34.9	39%	0.39	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.3	-178	29.7	-34.1	0	0	0	111.8	V51 F52	V51-P58 HydrophobicContact CG1-CB 4.02Å; F52-P58 CarbonylContact O-C 3.6Å; F52-P58 WeakPolarHBondContact O-CA 3.23Å
59	I	95.2	Very high	93	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.3	171.1	-63.6	178.4	0	0	0	108.4	F11 V51 F52 T54 F61 A165 I169 L174	F11-I59 HydrophobicContact CD2-CG2 3.73Å; F11-I59 HydrophobicContact CE2-CG2 3.74Å; V51-I59 WeakPolarHBondContact CA-O 3.45Å; F52-I59 PolarHBondContact N-O 3.3Å; F52-I59 PolarHBondContact O-N 3.05Å; T54-I59 HydrophobicContact CG2-CD1 3.81Å; T54-I59 HydrophobicContact CG2-CG1 4.06Å; I59-F61 HydrophobicContact CG2-CD2 4.41Å; I59-F61 HydrophobicContact CG2-CE2 3.98Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; I59-A165 HydrophobicContact CD1-CB 4.1Å; I59-I169 HydrophobicContact CD1-CD1 3.86Å; I59-I169 HydrophobicContact CD1-CG1 3.64Å; I59-L174 HydrophobicContact CD1-CD1 3.73Å
60	K	95.9	Very high	91.9	Very high	54 Å²	54	39.1 Å²	39.1	24%	0.235	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.7	176.3	-59.6	-172.3	163.8	178.7	0	111.1	I9 Q10 F11 T49 L50 V51	I9-K60 PolarHBondContact O-N 3.01Å; Q10-K60 CarbonylContact C-O 3.57Å; Q10-K60 VanDerWaalsContact CA-O 3.23Å; Q10-K60 WeakPolarHBondContact CA-O 3.41Å; Q10-K60 HydrophobicContact CB-CB 3.82Å; F11-K60 PolarHBondContact N-O 3.42Å; T49-K60 HydrophobicContact CG2-CB 4.22Å; T49-K60 HydrophobicContact CG2-CD 4.1Å; T49-K60 HydrophobicContact CG2-CG 4.42Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.24Å; V51-K60 HydrophobicContact CG1-CG 4.43Å; V51-K60 HydrophobicContact CG2-CG 4.1Å
61	F	97.6	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.4	163.4	-70	-80.9	0	0	0	108.5	F11 L13 T49 L50 F52 I59 V63 F161 L164 A165 L168	F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.06Å; F11-F61 HydrophobicContact CD2-CE1 4.11Å; F11-F61 HydrophobicContact CD2-CZ 4.44Å; F11-F61 HydrophobicContact CG-CE1 4.45Å; F11-F61 CarbonylContact O-C 3.58Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; L13-F61 HydrophobicContact CB-CB 4.46Å; L13-F61 HydrophobicContact CB-CD1 4.08Å; L13-F61 HydrophobicContact CD1-CD1 3.88Å; L13-F61 HydrophobicContact CD1-CE1 4.35Å; L13-F61 HydrophobicContact CD1-CG 4.37Å; T49-F61 WeakPolarHBondContact CA-O 3.23Å; L50-F61 PolarHBondContact N-O 3.19Å; L50-F61 PolarHBondContact O-N 2.86Å; F52-F61 AromaticContact CD2-CD2 3.72Å; F52-F61 HydrophobicContact CD2-CD2 3.72Å; F52-F61 HydrophobicContact CD2-CE2 4.1Å; F52-F61 AromaticContact CE2-CD2 3.84Å; F52-F61 HydrophobicContact CE2-CD2 3.84Å; F52-F61 HydrophobicContact CE2-CE2 4.41Å; I59-F61 HydrophobicContact CG2-CD2 4.41Å; I59-F61 HydrophobicContact CG2-CE2 3.98Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; F61-V63 HydrophobicContact CB-CG2 4.03Å; F61-V63 PolarHBondContact O-N 2.87Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.28Å; F61-F161 AromaticContact CD2-CD1 3.68Å; F61-F161 HydrophobicContact CD2-CD1 3.68Å; F61-F161 HydrophobicContact CD2-CE1 4.34Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.01Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.3Å; F61-L164 HydrophobicContact CE1-CB 4.26Å; F61-L164 HydrophobicContact CZ-CB 4.15Å; F61-A165 HydrophobicContact CE2-CB 4.43Å; F61-A165 HydrophobicContact CZ-CB 4.19Å; F61-L168 HydrophobicContact CE1-CD1 3.72Å; F61-L168 HydrophobicContact CZ-CD1 4.26Å
62	N	97.4	Very high	89.3	Confident	31 Å²	31	46 Å²	46	17%	0.166	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	94.5	165.5	-62.2	-53	0	0	0	106.4	Q10 F11 L13 H48 T49	Q10-N62 PolarHBondContact OE1-ND2 2.72Å; F11-N62 PolarHBondContact O-N 3.24Å; L13-N62 PolarHBondContact N-O 3.48Å; H48-N62 CarbonylContact O-C 3.55Å; T49-N62 PolarHBondContact OG1-OD1 3.44Å
63	V	97.5	Very high	87.8	Confident	2 Å²	2	47 Å²	47	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.2	-176.7	-178.9	0	0	0	0	109.1	L13 L15 M27 V47 H48 L50 F61 D65 F161	L13-V63 HydrophobicContact CB-CG2 4.38Å; L13-V63 HydrophobicContact CD2-CG1 3.96Å; L13-V63 HydrophobicContact CD2-CG2 4.27Å; L13-V63 CarbonylContact O-C 3.59Å; L13-V63 WeakPolarHBondContact O-CA 3.33Å; L15-V63 HydrophobicContact CB-CG1 4.08Å; L15-V63 HydrophobicContact CD2-CG1 4.31Å; M27-V63 HydrophobicContact CG-CG1 4.15Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; H48-V63 PolarHBondContact N-O 3.49Å; H48-V63 PolarHBondContact O-N 2.99Å; L50-V63 HydrophobicContact CD1-CG2 3.87Å; L50-V63 HydrophobicContact CG-CG2 4.15Å; F61-V63 HydrophobicContact CB-CG2 4.03Å; F61-V63 PolarHBondContact O-N 2.87Å; V63-D65 PolarHBondContact O-N 2.74Å; V63-F161 HydrophobicContact CG2-CE1 4.09Å; V63-F161 HydrophobicContact CG2-CZ 4.42Å
64	W	96.5	Very high	86.4	Confident	65 Å²	65	46.4 Å²	46.4	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	94.2	172.6	-71	51.2	0	0	0	107	K12 L13 V14 L15 V45 V47 T66 Y79	K12-W64 HydrophobicContact CD-CZ2 4.37Å; L13-W64 PolarHBondContact O-N 3.19Å; V14-W64 HydrophobicContact CG1-CB 4.2Å; L15-W64 PolarHBondContact N-O 3.05Å; V45-W64 HydrophobicContact CG1-CE3 4.41Å; V45-W64 HydrophobicContact CG2-CB 3.85Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.88Å; V45-W64 HydrophobicContact CG2-CG 4.37Å; V47-W64 HydrophobicContact CG2-CD2 3.84Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.03Å; V47-W64 HydrophobicContact CG2-CZ2 4.29Å; W64-T66 PolarHBondContact O-N 3.31Å; W64-Y79 HydrophobicContact CE3-CD1 4.17Å; W64-Y79 HydrophobicContact CZ3-CD1 4.02Å
65	D	94.9	Very high	85.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	108.2	173.8	-179.4	31.2	0	0	0	109.1	K23 T24 V45 E46 V63	K23-D65 VanDerWaalsContact CB-OD1 3.32Å; K23-D65 WeakPolarHBondContact CB-OD1 3.34Å; T24-D65 VanDerWaalsContact CA-OD2 3.29Å; T24-D65 WeakPolarHBondContact CA-OD2 3.41Å; T24-D65 VanDerWaalsContact CB-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.44Å; T24-D65 PolarHBondContact OG1-OD2 3.32Å; V45-D65 VanDerWaalsContact CA-O 3.3Å; V45-D65 WeakPolarHBondContact CA-O 3.26Å; V45-D65 WeakPolarHBondContact CG2-O 3.38Å; E46-D65 PolarHBondContact N-O 3.09Å; E46-D65 PolarHBondContact O-N 2.75Å; V63-D65 PolarHBondContact O-N 2.74Å
66	T	91.8	Very high	84.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.9	-173.3	65.9	0	0	0	0	112.5	L15 V16 K23 V45 W64 G68 Y79	L15-T66 PolarHBondContact O-N 3.24Å; L15-T66 PolarHBondContact O-OG1 3.33Å; V16-T66 HydrophobicContact CG1-CG2 4.37Å; K23-T66 WeakPolarHBondContact CE-O 3.37Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; W64-T66 PolarHBondContact O-N 3.31Å; T66-G68 PolarHBondContact O-N 3.48Å; T66-Y79 HydrophobicContact CG2-CD2 4.38Å
67	A	88.6	Confident	83.7	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.033	26%	0.255	C	S	.	.			trans	-63.2	125.8	171.6	0	0	0	0	0	111.3	T42 G44 Q69 F72	T42-A67 WeakPolarHBondContact O-CB 3.4Å; G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.25Å; A67-Q69 VanDerWaalsContact C-N 3.33Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.64Å; A67-F72 HydrophobicContact CB-CE2 4.41Å; A67-F72 HydrophobicContact CB-CG 4.15Å
68	G	81.2	Confident	83.5	Confident	9 Å²	9	46 Å²	46	9%	0.093	26%	0.263	C	S	.	.			trans	-87.9	4	177.8	0	0	0	0	0	114.8	G17 G19 T66	G17-G68 WeakPolarHBondContact O-CA 3.33Å; G19-G68 PolarHBondContact N-O 2.98Å; T66-G68 PolarHBondContact O-N 3.48Å
69	Q	78.6	Confident	83.4	Confident	64 Å²	64	45 Å²	45	30%	0.299	25%	0.252	S	S	.	.	S	Bend	trans	-88.6	136.3	-176.5	-61.1	-68.8	-27	0	0	110.1	Y39 A41 A67 K71 F72	Y39-Q69 PolarHBondContact OH-NE2 3.44Å; A41-Q69 HydrophobicContact CB-CG 4.46Å; A67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-K71 HydrophobicContact CB-CG 4.07Å; Q69-K71 PolarHBondContact O-N 3.28Å; Q69-F72 HydrophobicContact CB-CD2 3.86Å; Q69-F72 HydrophobicContact CB-CE2 4.2Å; Q69-F72 PolarHBondContact O-N 2.9Å
70	E	70.6	Confident	83.3	Confident	123 Å²	123	44.9 Å²	44.9	58%	0.575	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61.1	-31.1	-176.2	-64.3	-68.7	-159.4	0	0	113.6	F72 G73 R76	E70-F72 PolarHBondContact O-N 2.97Å; E70-G73 PolarHBondContact O-N 3.04Å; E70-R76 IonicContact OE2-CZ 2.65Å; E70-R76 IonicContact OE2-NH1 3.71Å; E70-R76 PolarHBondContact OE2-NH1 3.17Å; E70-R76 IonicContact OE2-NH2 2.73Å; E70-R76 PolarHBondContact OE2-NH2 3.27Å
71	K	69.4	Low	83.3	Confident	164 Å²	164	46.8 Å²	46.8	71%	0.713	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.7	-16.2	175.5	65.8	-178.3	178.8	178.5	0	114.3	Q69	Q69-K71 HydrophobicContact CB-CG 4.07Å; Q69-K71 PolarHBondContact O-N 3.28Å
72	F	63.7	Low	83.2	Confident	49 Å²	49	54.5 Å²	54.5	22%	0.215	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-105	8.4	175.8	-56.7	-61.4	0	0	0	113.3	L43 A67 Q69 E70 G74 L75	L43-F72 HydrophobicContact CD2-CE1 4.5Å; L43-F72 HydrophobicContact CD2-CE2 4.08Å; L43-F72 HydrophobicContact CD2-CZ 3.58Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.64Å; A67-F72 HydrophobicContact CB-CE2 4.41Å; A67-F72 HydrophobicContact CB-CG 4.15Å; Q69-F72 HydrophobicContact CB-CD2 3.86Å; Q69-F72 HydrophobicContact CB-CE2 4.2Å; Q69-F72 PolarHBondContact O-N 2.9Å; E70-F72 PolarHBondContact O-N 2.97Å; F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.24Å; F72-L75 PolarHBondContact O-N 3.35Å
73	G	62	Low	83.2	Confident	24 Å²	24	53.3 Å²	53.3	25%	0.247	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-55.5	-35.6	-175.7	0	0	0	0	0	114.8	E70 L75 R76	E70-G73 PolarHBondContact O-N 3.04Å; G73-L75 PolarHBondContact O-N 3.37Å; G73-R76 WeakPolarHBondContact O-CB 3.1Å; G73-R76 VanDerWaalsContact O-CG 3.31Å; G73-R76 WeakPolarHBondContact O-CG 3.39Å; G73-R76 PolarHBondContact O-N 3.09Å
74	G	63.8	Low	83.3	Confident	86 Å²	86	57 Å²	57	89%	0.887	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-66	-17	-175.9	0	0	0	0	0	115.9	F72	F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.24Å
75	L	68.4	Low	83.4	Confident	105 Å²	105	54 Å²	54	55%	0.55	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-96.2	-5.6	179	-65.7	174.8	0	0	0	113.5	F72 G73 D77 G78 Y79	F72-L75 PolarHBondContact O-N 3.35Å; G73-L75 PolarHBondContact O-N 3.37Å; L75-D77 PolarHBondContact O-N 2.92Å; L75-G78 PolarHBondContact O-N 2.73Å; L75-Y79 HydrophobicContact CB-CE2 3.83Å; L75-Y79 WeakPolarHBondContact O-CD2 3.42Å
76	R	74.8	Confident	83.5	Confident	14 Å²	14	54 Å²	54	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-43.9	-168.5	-72.9	178.7	-174.8	164.6	11.2	113.3	E70 G73 G78 Y79 Y80 W104	E70-R76 IonicContact OE2-CZ 2.65Å; E70-R76 IonicContact OE2-NH1 3.71Å; E70-R76 PolarHBondContact OE2-NH1 3.17Å; E70-R76 IonicContact OE2-NH2 2.73Å; E70-R76 PolarHBondContact OE2-NH2 3.27Å; G73-R76 WeakPolarHBondContact O-CB 3.1Å; G73-R76 VanDerWaalsContact O-CG 3.31Å; G73-R76 WeakPolarHBondContact O-CG 3.39Å; G73-R76 PolarHBondContact O-N 3.09Å; R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 2.77Å; R76-Y79 WeakPolarHBondContact O-CB 3.43Å; R76-Y79 PolarHBondContact O-N 3.3Å; R76-Y80 HydrophobicContact CB-CE2 3.93Å; R76-Y80 PolarHBondContact O-N 3.03Å; R76-W104 HydrophobicContact CG-CZ3 4.49Å; R76-W104 VanDerWaalsContact NE-CZ3 3.31Å
77	D	82.4	Confident	83.9	Confident	61 Å²	61	53.9 Å²	53.9	33%	0.326	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-39.5	-176.1	-71.3	18.8	0	0	0	111.8	L75 Y79 Y80 I81 R110 V111	L75-D77 PolarHBondContact O-N 2.92Å; D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 2.83Å; D77-Y80 PolarHBondContact O-N 3.45Å; D77-Y80 VanDerWaalsContact O-N 3.09Å; D77-I81 PolarHBondContact O-N 3.27Å; D77-R110 VanDerWaalsContact CG-NH2 3.31Å; D77-R110 IonicContact OD1-CZ 2.57Å; D77-R110 IonicContact OD1-NH2 3.99Å; D77-R110 PolarHBondContact OD1-NH2 3.33Å; D77-R110 IonicContact OD2-CZ 2.97Å; D77-R110 IonicContact OD2-NE 3.91Å; D77-R110 PolarHBondContact OD2-NE 2.93Å; D77-R110 IonicContact OD2-NH2 2.72Å; D77-R110 PolarHBondContact OD2-NH2 2.94Å; D77-R110 VanDerWaalsContact OD2-NH2 3.09Å; D77-V111 HydrophobicContact CB-CG2 3.99Å
78	G	89.6	Confident	84.3	Confident	45 Å²	45	53.7 Å²	53.7	46%	0.464	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-34.2	176.7	0	0	0	0	0	113.1	L75 R76 Y80	L75-G78 PolarHBondContact O-N 2.73Å; R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 2.77Å; G78-Y80 VanDerWaalsContact C-N 3.32Å
79	Y	91.8	Very high	85.1	Confident	41 Å²	41	53.3 Å²	53.3	16%	0.161	29%	0.293	C	S	.	.	H	α-helix	trans	-71.6	-28	175.7	-57	-40.3	0	0	0	112.4	K12 G44 V45 W64 T66 L75 R76 D77	K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 2.82Å; G44-Y79 VanDerWaalsContact CA-OH 3.29Å; G44-Y79 WeakPolarHBondContact CA-OH 3.31Å; V45-Y79 HydrophobicContact CB-CD1 3.93Å; V45-Y79 HydrophobicContact CB-CD2 4.43Å; V45-Y79 HydrophobicContact CB-CE1 3.77Å; V45-Y79 HydrophobicContact CB-CE2 4.29Å; V45-Y79 HydrophobicContact CB-CG 4.26Å; V45-Y79 HydrophobicContact CG1-CD1 3.64Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.46Å; V45-Y79 HydrophobicContact CG2-CD1 4.5Å; W64-Y79 HydrophobicContact CE3-CD1 4.17Å; W64-Y79 HydrophobicContact CZ3-CD1 4.02Å; T66-Y79 HydrophobicContact CG2-CD2 4.38Å; L75-Y79 HydrophobicContact CB-CE2 3.83Å; L75-Y79 WeakPolarHBondContact O-CD2 3.42Å; R76-Y79 WeakPolarHBondContact O-CB 3.43Å; R76-Y79 PolarHBondContact O-N 3.3Å; D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 2.83Å
80	Y	94	Very high	86.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-78.9	-29.5	-178.6	-57.4	-25	0	0	0	113.7	V14 V16 R76 D77 G78 Q82 A83 D107 L108 V111 C112	V14-Y80 HydrophobicContact CB-CD1 4.36Å; V14-Y80 HydrophobicContact CG1-CD1 4.33Å; V14-Y80 HydrophobicContact CG2-CD1 4.29Å; V16-Y80 HydrophobicContact CG1-CD1 4.49Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; R76-Y80 HydrophobicContact CB-CE2 3.93Å; R76-Y80 PolarHBondContact O-N 3.03Å; D77-Y80 PolarHBondContact O-N 3.45Å; D77-Y80 VanDerWaalsContact O-N 3.09Å; G78-Y80 VanDerWaalsContact C-N 3.32Å; Y80-Q82 PolarHBondContact O-N 3.03Å; Y80-A83 WeakPolarHBondContact O-CB 3.39Å; Y80-A83 PolarHBondContact O-N 3.32Å; Y80-D107 HydrophobicContact CE2-CB 4.03Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.43Å; Y80-L108 HydrophobicContact CG-CD1 4.04Å; Y80-V111 HydrophobicContact CD2-CB 4.43Å; Y80-V111 HydrophobicContact CD2-CG2 4.1Å; Y80-C112 PolarHBondContact O-SG 2.85Å
81	I	94.4	Very high	87.4	Confident	93 Å²	93	44.9 Å²	44.9	48%	0.477	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	126.1	-177.2	-67.6	170.2	0	0	0	111.5	K12 D77 A83 V111	K12-I81 PolarHBondContact NZ-O 3.08Å; D77-I81 PolarHBondContact O-N 3.27Å; I81-A83 PolarHBondContact O-N 3.11Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å
82	Q	96	Very high	88.7	Confident	162 Å²	162	37.1 Å²	37.1	76%	0.757	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	20.3	-179.4	-59.8	170.9	-10	0	0	115.2	Y80 Q84	Y80-Q82 PolarHBondContact O-N 3.03Å; Q82-Q84 PolarHBondContact O-N 3Å
83	A	97.9	Very high	90.3	Very high	7 Å²	7	36.6 Å²	36.6	6%	0.058	22%	0.221	C	C	.	.			trans	-57.3	136.7	165.3	0	0	0	0	0	109.2	V14 Y80 I81 I115	V14-A83 HydrophobicContact CB-CB 4.47Å; V14-A83 HydrophobicContact CG1-CB 3.75Å; V14-A83 HydrophobicContact CG2-CB 3.9Å; Y80-A83 WeakPolarHBondContact O-CB 3.39Å; Y80-A83 PolarHBondContact O-N 3.32Å; I81-A83 PolarHBondContact O-N 3.11Å; A83-I115 HydrophobicContact CB-CD1 4.13Å; A83-I115 WeakPolarHBondContact O-CG2 3.49Å
84	Q	98.4	Very high	91.9	Very high	80 Å²	80	37.1 Å²	37.1	37%	0.374	22%	0.221	S	C	.	.	S	Bend	trans	-102.7	-21.1	177.2	-69	161.7	-77.4	0	0	110.9	F11 K12 Q82 P116 L168	F11-Q84 VanDerWaalsContact CA-OE1 3.24Å; F11-Q84 HydrophobicContact CB-CB 4.4Å; F11-Q84 HydrophobicContact CD1-CB 4.21Å; K12-Q84 PolarHBondContact O-N 2.88Å; Q82-Q84 PolarHBondContact O-N 3Å; Q84-P116 WeakPolarHBondContact O-CD 3.35Å; Q84-L168 HydrophobicContact CB-CD2 4.34Å; Q84-L168 WeakPolarHBondContact O-CD2 3.31Å
85	C	98.7	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	168	173.7	55.9	0	0	0	0	110.8	K12 L13 V14 P116 L164 L168	K12-C85 PolarHBondContact O-N 2.98Å; L13-C85 WeakPolarHBondContact CA-O 3.48Å; V14-C85 PolarHBondContact N-O 3.09Å; V14-C85 VanDerWaalsContact N-O 3.09Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.28Å; C85-P116 WeakPolarHBondContact CB-O 3.46Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.42Å; C85-L168 HydrophobicContact CB-CD1 3.96Å; C85-L168 HydrophobicContact CB-CD2 4.4Å
86	A	98.5	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.3	174.8	0	0	0	0	0	113.7	V14 L108 I115 P116 I117 V118	V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 CarbonylContact O-C 3.6Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.38Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; A86-L108 HydrophobicContact CB-CD1 4.25Å; A86-L108 HydrophobicContact CB-CD2 3.38Å; A86-L108 HydrophobicContact CB-CG 4.44Å; A86-I115 HydrophobicContact CB-CD1 4.2Å; A86-P116 PolarHBondContact N-O 2.79Å; A86-I117 HydrophobicContact CB-CG1 4.11Å; A86-I117 HydrophobicContact CB-CG2 4.37Å; A86-I117 WeakPolarHBondContact O-CA 3.17Å; A86-V118 PolarHBondContact O-N 3.24Å
87	I	98.7	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124	163.1	-64.2	174.4	0	0	0	107.5	L13 V14 L15 V16 F26 V118 C120 P160 F161 L164	L13-I87 HydrophobicContact CD1-CD1 4.03Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.5Å; L13-I87 HydrophobicContact CD2-CD1 4.25Å; L13-I87 HydrophobicContact CD2-CG1 4.24Å; V14-I87 PolarHBondContact O-N 3.23Å; L15-I87 HydrophobicContact CD1-CB 3.74Å; L15-I87 HydrophobicContact CD1-CG2 3.65Å; V16-I87 PolarHBondContact N-O 3.13Å; F26-I87 HydrophobicContact CE1-CD1 4.13Å; F26-I87 HydrophobicContact CZ-CD1 4.49Å; I87-V118 CarbonylContact C-O 3.56Å; I87-V118 VanDerWaalsContact CA-O 3.31Å; I87-V118 WeakPolarHBondContact CA-O 3.44Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I87-C120 HydrophobicContact CG2-CB 4.28Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.41Å; I87-F161 HydrophobicContact CD1-CZ 4.4Å; I87-L164 HydrophobicContact CD1-CD1 4.32Å; I87-L164 HydrophobicContact CG1-CD1 3.97Å
88	I	98.1	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.7	168.6	-50.8	-177.9	0	0	0	107.1	V16 V101 W104 H105 L108 I117 V118 L119 C120	V16-I88 HydrophobicContact CG2-CB 4.18Å; V16-I88 HydrophobicContact CG2-CG1 3.7Å; V16-I88 HydrophobicContact CG2-CG2 4.27Å; V16-I88 WeakPolarHBondContact O-CA 3.41Å; I88-V101 HydrophobicContact CG2-CG1 4.19Å; I88-V101 HydrophobicContact CG2-CG2 4.31Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; I88-H105 HydrophobicContact CD1-CB 3.77Å; I88-L108 HydrophobicContact CD1-CD2 4.5Å; I88-I117 HydrophobicContact CD1-CG2 3.92Å; I88-I117 HydrophobicContact CG1-CG2 3.85Å; I88-V118 PolarHBondContact N-O 3.5Å; I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 CarbonylContact O-C 3.53Å; I88-L119 WeakPolarHBondContact O-CA 3.41Å; I88-L119 WeakPolarHBondContact O-CD1 3.36Å; I88-C120 PolarHBondContact O-N 2.94Å
89	M	98.5	Very high	96.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.1	-177.5	-172	177	-66.4	0	0	111.3	L15 V16 G17 K23 F26 C120 N122 I149	L15-M89 HydrophobicContact CD1-CE 4.26Å; V16-M89 PolarHBondContact O-N 3.45Å; G17-M89 WeakPolarHBondContact CA-O 3.33Å; K23-M89 HydrophobicContact CG-CB 4.06Å; K23-M89 HydrophobicContact CG-SD 4.09Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.95Å; F26-M89 HydrophobicContact CD2-CE 4.16Å; F26-M89 HydrophobicContact CG-CE 3.7Å; M89-C120 WeakPolarHBondContact CA-O 3.3Å; M89-N122 HydrophobicContact CG-CB 3.95Å; M89-N122 HydrophobicContact SD-CB 3.85Å; M89-I149 HydrophobicContact CE-CD1 3.79Å
90	F	98.3	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	170.7	165.7	72.7	-86.4	0	0	0	110.6	V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146	F90-V92 HydrophobicContact CE2-CG1 3.97Å; F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.93Å; F90-Y98 HydrophobicContact CD2-CD2 3.93Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.74Å; F90-Y98 HydrophobicContact CE1-CD2 3.74Å; F90-Y98 HydrophobicContact CE1-CE2 4.11Å; F90-Y98 AromaticContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CG 4.37Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CE2 4.22Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.09Å; F90-V101 HydrophobicContact CG-CG2 4.33Å; F90-L119 HydrophobicContact CD1-CD1 3.75Å; F90-L119 HydrophobicContact CD1-CG 4.21Å; F90-L119 HydrophobicContact CE1-CD1 3.98Å; F90-L119 HydrophobicContact CE1-CD2 4.17Å; F90-L119 HydrophobicContact CE1-CG 3.92Å; F90-C120 WeakPolarHBondContact CD1-O 3.5Å; F90-C120 PolarHBondContact N-O 3.28Å; F90-G121 VanDerWaalsContact CZ-CA 3.46Å; F90-N122 PolarHBondContact O-N 3.47Å; F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.49Å; F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.84Å; F90-Y146 HydrophobicContact CZ-CE2 3.84Å
91	D	97.8	Very high	97.3	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.6	178.9	180	-13.3	0	0	0	109.5	T21 T93 S94 T97 K123	T21-D91 HydrophobicContact CG2-CB 4.32Å; D91-T93 PolarHBondContact O-N 2.79Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.39Å; D91-T93 WeakPolarHBondContact OD1-CB 3.46Å; D91-T93 PolarHBondContact OD1-N 3.29Å; D91-T93 PolarHBondContact OD1-OG1 3.01Å; D91-T93 PolarHBondContact OD2-OG1 3.25Å; D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 2.82Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.33Å; D91-T97 PolarHBondContact O-OG1 3.44Å; D91-K123 WeakPolarHBondContact OD2-CD 3.4Å; D91-K123 VanDerWaalsContact OD2-CE 3.24Å; D91-K123 WeakPolarHBondContact OD2-CE 3.15Å; D91-K123 IonicContact OD2-NZ 3.44Å; D91-K123 PolarHBondContact OD2-NZ 3.28Å
92	V	97.5	Very high	97.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.5	-179.3	-58.2	0	0	0	0	112.9	F90 N122 K123 V124 M129 K130 V131	F90-V92 HydrophobicContact CE2-CG1 3.97Å; V92-N122 WeakPolarHBondContact CG2-O 3.33Å; V92-N122 PolarHBondContact N-O 2.82Å; V92-K123 WeakPolarHBondContact CG2-O 3.43Å; V92-V124 HydrophobicContact CG1-CG1 3.95Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V92-M129 HydrophobicContact CB-CB 4.45Å; V92-M129 HydrophobicContact CB-CG 4.35Å; V92-M129 HydrophobicContact CB-SD 4.12Å; V92-M129 HydrophobicContact CG2-CB 4.27Å; V92-M129 HydrophobicContact CG2-CG 3.72Å; V92-M129 HydrophobicContact CG2-SD 3.67Å; V92-K130 PolarHBondContact O-N 3.3Å; V92-V131 PolarHBondContact O-N 3.33Å
93	T	96.8	Very high	97.2	Very high	38 Å²	38	38.2 Å²	38.2	23%	0.233	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.5	175.8	73.5	0	0	0	0	113.2	D91 I126 K130	D91-T93 PolarHBondContact O-N 2.79Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.39Å; D91-T93 WeakPolarHBondContact OD1-CB 3.46Å; D91-T93 PolarHBondContact OD1-N 3.29Å; D91-T93 PolarHBondContact OD1-OG1 3.01Å; D91-T93 PolarHBondContact OD2-OG1 3.25Å; T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.81Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.73Å; T93-K130 WeakPolarHBondContact O-CG 3.44Å
94	S	96.6	Very high	97.1	Very high	35 Å²	35	38 Å²	38	25%	0.245	19%	0.192	C	C	.	.			trans	-133.2	100.6	-175	-173.6	0	0	0	0	112.3	D91 V96 T97	D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 2.82Å; S94-V96 PolarHBondContact O-N 3.04Å; S94-V96 VanDerWaalsContact O-N 3.16Å; S94-V96 VanDerWaalsContact OG-CG1 3.29Å; S94-V96 WeakPolarHBondContact OG-CG1 3.31Å; S94-T97 PolarHBondContact O-N 2.99Å; S94-T97 PolarHBondContact O-OG1 3.48Å
95	R	96.3	Very high	97	Very high	177 Å²	177	35.1 Å²	35.1	67%	0.668	18%	0.179	S	C	*	.	H	α-helix	trans	-55.8	-35.3	-178.1	-64.8	-174.7	177.9	175.4	3	113.6	T97 Y98 K99 K130 V131	R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.04Å; R95-Y98 PolarHBondContact O-N 3.18Å; R95-K99 PolarHBondContact O-N 2.92Å; R95-K130 HydrophobicContact CG-CB 3.75Å; R95-K130 PolarHBondContact NE-O 3.49Å; R95-K130 VanDerWaalsContact NE-O 3.16Å; R95-V131 HydrophobicContact CB-CG2 4.44Å; R95-V131 HydrophobicContact CG-CG2 4.11Å
96	V	96.1	Very high	96.8	Very high	82 Å²	82	42 Å²	42	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-38.1	-179.9	61.7	0	0	0	0	111.2	S94 Y98 K99 N100	S94-V96 PolarHBondContact O-N 3.04Å; S94-V96 VanDerWaalsContact O-N 3.16Å; S94-V96 VanDerWaalsContact OG-CG1 3.29Å; S94-V96 WeakPolarHBondContact OG-CG1 3.31Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.48Å; V96-K99 WeakPolarHBondContact O-CB 3.17Å; V96-K99 PolarHBondContact O-N 3.5Å; V96-K99 VanDerWaalsContact O-N 3.15Å; V96-N100 PolarHBondContact O-N 2.84Å; V96-N100 PolarHBondContact O-ND2 3Å
97	T	97.3	Very high	96.5	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-33.7	-179.9	69.2	0	0	0	0	112.3	D18 T21 D91 S94 R95	D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.46Å; T21-T97 HydrophobicContact CG2-CG2 3.86Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.33Å; D91-T97 PolarHBondContact O-OG1 3.44Å; S94-T97 PolarHBondContact O-N 2.99Å; S94-T97 PolarHBondContact O-OG1 3.48Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.04Å
98	Y	97.7	Very high	96.3	Very high	35 Å²	35	43.3 Å²	43.3	14%	0.137	22%	0.215	C	C	.	.	H	α-helix	trans	-72.6	-42.3	172.2	-174.7	-109	0	0	0	111.9	F90 R95 V96 N100 V101 L119 V131 P135 I136 L137 F138	F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.93Å; F90-Y98 HydrophobicContact CD2-CD2 3.93Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.74Å; F90-Y98 HydrophobicContact CE1-CD2 3.74Å; F90-Y98 HydrophobicContact CE1-CE2 4.11Å; F90-Y98 AromaticContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CG 4.37Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CE2 4.22Å; R95-Y98 PolarHBondContact O-N 3.18Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.48Å; Y98-N100 PolarHBondContact O-N 2.93Å; Y98-V101 HydrophobicContact CD2-CG2 4.21Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.47Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 3.34Å; Y98-V101 VanDerWaalsContact O-N 3.07Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; Y98-V131 HydrophobicContact CD1-CG1 4.16Å; Y98-V131 HydrophobicContact CD2-CG1 4.42Å; Y98-V131 HydrophobicContact CG-CG1 3.98Å; Y98-P135 WeakPolarHBondContact CE1-O 3.06Å; Y98-P135 PolarHBondContact OH-O 2.81Å; Y98-I136 HydrophobicContact CE2-CB 4.36Å; Y98-I136 HydrophobicContact CE2-CG1 4.23Å; Y98-I136 HydrophobicContact CE2-CG2 3.89Å; Y98-I136 VanDerWaalsContact OH-CA 3.27Å; Y98-I136 WeakPolarHBondContact OH-CA 3.32Å; Y98-L137 PolarHBondContact OH-N 2.87Å; Y98-F138 WeakPolarHBondContact OH-CB 3.36Å; Y98-F138 PolarHBondContact OH-N 3.04Å; Y98-F138 VanDerWaalsContact OH-N 3.08Å
99	K	96.3	Very high	96.2	Very high	167 Å²	167	45.4 Å²	45.4	73%	0.726	23%	0.228	S	C	*	.	H	α-helix	trans	-57.7	-29.9	176.2	-174.2	177.1	178.8	177	0	112.5	R95 V96 P102	R95-K99 PolarHBondContact O-N 2.92Å; V96-K99 WeakPolarHBondContact O-CB 3.17Å; V96-K99 PolarHBondContact O-N 3.5Å; V96-K99 VanDerWaalsContact O-N 3.15Å; K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å
100	N	95.7	Very high	95.9	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.6	179.8	-69.7	-16.8	0	0	0	114.2	D18 V96 Y98 P102 S103 W104	D18-N100 WeakPolarHBondContact OD1-CB 3.44Å; D18-N100 PolarHBondContact OD2-ND2 2.68Å; V96-N100 PolarHBondContact O-N 2.84Å; V96-N100 PolarHBondContact O-ND2 3Å; Y98-N100 PolarHBondContact O-N 2.93Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; N100-S103 WeakPolarHBondContact O-CB 3.5Å; N100-S103 PolarHBondContact O-N 3.27Å; N100-W104 VanDerWaalsContact O-CD1 3.3Å; N100-W104 PolarHBondContact O-N 2.86Å
101	V	96.8	Very high	95.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-51.5	-44.8	177.7	168.3	0	0	0	0	113	I88 F90 Y98 S103 W104 H105 L119 F138	I88-V101 HydrophobicContact CG2-CG1 4.19Å; I88-V101 HydrophobicContact CG2-CG2 4.31Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.09Å; F90-V101 HydrophobicContact CG-CG2 4.33Å; Y98-V101 HydrophobicContact CD2-CG2 4.21Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.47Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 3.34Å; Y98-V101 VanDerWaalsContact O-N 3.07Å; V101-S103 VanDerWaalsContact C-N 3.26Å; V101-S103 PolarHBondContact O-N 2.89Å; V101-W104 PolarHBondContact O-N 3.21Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.03Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.73Å; V101-F138 HydrophobicContact CG1-CG 4.11Å
102	P	96	Very high	95.7	Very high	58 Å²	58	53.8 Å²	53.8	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-36.1	175.4	-25.5	34.4	0	0	0	114.2	K99 N100 K106 F138	K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; P102-K106 VanDerWaalsContact O-CB 3.26Å; P102-K106 WeakPolarHBondContact O-CB 3.44Å; P102-K106 PolarHBondContact O-N 2.98Å; P102-F138 HydrophobicContact CB-CD2 4.29Å; P102-F138 HydrophobicContact CB-CE2 3.68Å; P102-F138 HydrophobicContact CB-CZ 4.21Å; P102-F138 HydrophobicContact CG-CD2 3.76Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.43Å
103	S	94	Very high	95.5	Very high	59 Å²	59	61 Å²	61	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-68	-49.3	177.9	-165.7	0	0	0	0	111.1	N100 V101 H105 K106 D107	N100-S103 WeakPolarHBondContact O-CB 3.5Å; N100-S103 PolarHBondContact O-N 3.27Å; V101-S103 VanDerWaalsContact C-N 3.26Å; V101-S103 PolarHBondContact O-N 2.89Å; S103-H105 VanDerWaalsContact C-N 3.3Å; S103-H105 PolarHBondContact O-N 2.93Å; S103-K106 PolarHBondContact O-N 3.23Å; S103-K106 VanDerWaalsContact O-N 3.17Å; S103-D107 PolarHBondContact O-N 3.18Å
104	W	95.2	Very high	95.3	Very high	3 Å²	3	66.8 Å²	66.8	1%	0.011	33%	0.328	C	S	.	.	H	α-helix	trans	-58.2	-43.2	176.2	-72.7	107	0	0	0	112.3	V16 G17 D18 R76 I88 N100 V101 L108	V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.13Å; V16-W104 HydrophobicContact CG1-CE3 4.45Å; V16-W104 HydrophobicContact CG2-CB 4.42Å; V16-W104 HydrophobicContact CG2-CE3 4.39Å; G17-W104 VanDerWaalsContact C-CE2 3.44Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.29Å; D18-W104 PolarHBondContact OD1-NE1 3.37Å; R76-W104 HydrophobicContact CG-CZ3 4.49Å; R76-W104 VanDerWaalsContact NE-CZ3 3.31Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; N100-W104 VanDerWaalsContact O-CD1 3.3Å; N100-W104 PolarHBondContact O-N 2.86Å; V101-W104 PolarHBondContact O-N 3.21Å; W104-L108 VanDerWaalsContact O-CB 3.3Å; W104-L108 WeakPolarHBondContact O-CB 3.38Å; W104-L108 PolarHBondContact O-N 3.17Å
105	H	95.7	Very high	95.4	Very high	19 Å²	19	66.4 Å²	66.4	9%	0.088	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-47	175.7	176.4	-81.6	0	0	0	111.5	I88 V101 S103 D107 L108 V109 F138	I88-H105 HydrophobicContact CD1-CB 3.77Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.03Å; S103-H105 VanDerWaalsContact C-N 3.3Å; S103-H105 PolarHBondContact O-N 2.93Å; H105-D107 VanDerWaalsContact C-N 3.35Å; H105-D107 PolarHBondContact O-N 2.75Å; H105-L108 PolarHBondContact O-N 3.33Å; H105-V109 WeakPolarHBondContact O-CG1 3.41Å; H105-V109 WeakPolarHBondContact O-CG2 3.36Å; H105-V109 PolarHBondContact O-N 3.07Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.57Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.58Å; H105-F138 AromaticContact ND1-CZ 3.9Å
106	K	94	Very high	95.5	Very high	144 Å²	144	59.4 Å²	59.4	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-58.2	-45.2	179.3	179.7	-179.1	176.8	-178.5	0	111.9	P102 S103 R110	P102-K106 VanDerWaalsContact O-CB 3.26Å; P102-K106 WeakPolarHBondContact O-CB 3.44Å; P102-K106 PolarHBondContact O-N 2.98Å; S103-K106 PolarHBondContact O-N 3.23Å; S103-K106 VanDerWaalsContact O-N 3.17Å; K106-R110 WeakPolarHBondContact O-CB 3.33Å; K106-R110 PolarHBondContact O-N 3Å; K106-R110 VanDerWaalsContact O-N 3.13Å
107	D	92.9	Very high	95.6	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-40.6	178.5	-69.1	-28.6	0	0	0	111.8	Y80 S103 H105 R110	Y80-D107 HydrophobicContact CE2-CB 4.03Å; S103-D107 PolarHBondContact O-N 3.18Å; H105-D107 VanDerWaalsContact C-N 3.35Å; H105-D107 PolarHBondContact O-N 2.75Å; D107-R110 IonicContact OD1-CZ 3.61Å; D107-R110 IonicContact OD1-NH1 2.68Å; D107-R110 PolarHBondContact OD1-NH1 3.28Å; D107-R110 IonicContact OD1-NH2 2.86Å; D107-R110 PolarHBondContact OD1-NH2 2.98Å
108	L	94.4	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-51.9	177.9	179.1	68.6	0	0	0	112	V14 Y80 A86 I88 W104 H105 R110 V111 C112 I115 I117	V14-L108 HydrophobicContact CG2-CD1 3.44Å; V14-L108 VanDerWaalsContact CG2-CD1 3.44Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.43Å; Y80-L108 HydrophobicContact CG-CD1 4.04Å; A86-L108 HydrophobicContact CB-CD1 4.25Å; A86-L108 HydrophobicContact CB-CD2 3.38Å; A86-L108 HydrophobicContact CB-CG 4.44Å; I88-L108 HydrophobicContact CD1-CD2 4.5Å; W104-L108 VanDerWaalsContact O-CB 3.3Å; W104-L108 WeakPolarHBondContact O-CB 3.38Å; W104-L108 PolarHBondContact O-N 3.17Å; H105-L108 PolarHBondContact O-N 3.33Å; L108-R110 VanDerWaalsContact C-N 3.26Å; L108-R110 PolarHBondContact O-N 2.84Å; L108-V111 PolarHBondContact O-N 2.98Å; L108-V111 VanDerWaalsContact O-N 3.1Å; L108-C112 PolarHBondContact O-N 2.96Å; L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; L108-I117 HydrophobicContact CD2-CD1 3.6Å; L108-I117 HydrophobicContact CD2-CG1 3.92Å
109	V	95.1	Very high	95.7	Very high	44 Å²	44	53.8 Å²	53.8	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-73.4	-17.9	-176.1	-56.8	0	0	0	0	113.2	H105 V111 I117	H105-V109 WeakPolarHBondContact O-CG1 3.41Å; H105-V109 WeakPolarHBondContact O-CG2 3.36Å; H105-V109 PolarHBondContact O-N 3.07Å; V109-V111 PolarHBondContact O-N 2.98Å; V109-I117 HydrophobicContact CG1-CD1 4.04Å
110	R	94	Very high	95.8	Very high	130 Å²	130	45.8 Å²	45.8	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-33.5	168.3	176.8	176.9	68.3	-123.2	1.1	111.7	D77 K106 D107 L108	D77-R110 VanDerWaalsContact CG-NH2 3.31Å; D77-R110 IonicContact OD1-CZ 2.57Å; D77-R110 IonicContact OD1-NH2 3.99Å; D77-R110 PolarHBondContact OD1-NH2 3.33Å; D77-R110 IonicContact OD2-CZ 2.97Å; D77-R110 IonicContact OD2-NE 3.91Å; D77-R110 PolarHBondContact OD2-NE 2.93Å; D77-R110 IonicContact OD2-NH2 2.72Å; D77-R110 PolarHBondContact OD2-NH2 2.94Å; D77-R110 VanDerWaalsContact OD2-NH2 3.09Å; K106-R110 WeakPolarHBondContact O-CB 3.33Å; K106-R110 PolarHBondContact O-N 3Å; K106-R110 VanDerWaalsContact O-N 3.13Å; D107-R110 IonicContact OD1-CZ 3.61Å; D107-R110 IonicContact OD1-NH1 2.68Å; D107-R110 PolarHBondContact OD1-NH1 3.28Å; D107-R110 IonicContact OD1-NH2 2.86Å; D107-R110 PolarHBondContact OD1-NH2 2.98Å; L108-R110 VanDerWaalsContact C-N 3.26Å; L108-R110 PolarHBondContact O-N 2.84Å
111	V	95.3	Very high	95.9	Very high	46 Å²	46	43.7 Å²	43.7	28%	0.279	22%	0.224	S	C	.	.	H	α-helix	trans	-98.8	-38.3	-177.7	-176.9	0	0	0	0	111.9	D77 Y80 I81 L108 V109	D77-V111 HydrophobicContact CB-CG2 3.99Å; Y80-V111 HydrophobicContact CD2-CB 4.43Å; Y80-V111 HydrophobicContact CD2-CG2 4.1Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å; L108-V111 PolarHBondContact O-N 2.98Å; L108-V111 VanDerWaalsContact O-N 3.1Å; V109-V111 PolarHBondContact O-N 2.98Å
112	C	95.3	Very high	96	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.074	23%	0.225	C	C	.	.	S	Bend	trans	-127.1	93.7	-177.6	-67.4	0	0	0	0	110.8	Y80 L108 I115	Y80-C112 PolarHBondContact O-SG 2.85Å; L108-C112 PolarHBondContact O-N 2.96Å; C112-I115 HydrophobicContact CB-CD1 3.82Å; C112-I115 HydrophobicContact CB-CG1 4.19Å; C112-I115 HydrophobicContact CB-CG2 3.99Å
113	E	94	Very high	96	Very high	153 Å²	153	43.6 Å²	43.6	72%	0.715	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	141.6	175.1	-62.1	-178.3	-171.1	0	0	111.2	I115	E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 2.94Å; E113-I115 VanDerWaalsContact O-N 3.15Å
114	N	93	Very high	96.1	Very high	159 Å²	159	40.8 Å²	40.8	85%	0.85	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	23.8	168.8	-55.5	-51.7	0	0	0	117.1
115	I	97.7	Very high	96	Very high	28 Å²	28	42.3 Å²	42.3	14%	0.144	21%	0.207	C	C	.	.			trans	-78.1	148.1	171.5	61.9	168.6	0	0	0	111.4	A83 A86 L108 C112 E113 I117	A83-I115 HydrophobicContact CB-CD1 4.13Å; A83-I115 WeakPolarHBondContact O-CG2 3.49Å; A86-I115 HydrophobicContact CB-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; C112-I115 HydrophobicContact CB-CD1 3.82Å; C112-I115 HydrophobicContact CB-CG1 4.19Å; C112-I115 HydrophobicContact CB-CG2 3.99Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 2.94Å; E113-I115 VanDerWaalsContact O-N 3.15Å; I115-I117 HydrophobicContact CD1-CG1 4.41Å; I115-I117 HydrophobicContact CG1-CD1 4.24Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.3Å; I115-I117 PolarHBondContact O-N 2.75Å
116	P	98.3	Very high	95.9	Very high	30 Å²	30	44.7 Å²	44.7	20%	0.195	22%	0.219	C	C	.	.			trans	-62.6	127.2	170.1	-22.6	34.3	0	0	0	111.2	Q84 C85 A86 W163 L164 K167 L168	Q84-P116 WeakPolarHBondContact O-CD 3.35Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.28Å; C85-P116 WeakPolarHBondContact CB-O 3.46Å; A86-P116 PolarHBondContact N-O 2.79Å; P116-W163 HydrophobicContact CB-CH2 4.29Å; P116-W163 HydrophobicContact CB-CZ3 3.78Å; P116-L164 HydrophobicContact CB-CD2 3.74Å; P116-L164 WeakPolarHBondContact O-CD2 3.45Å; P116-K167 HydrophobicContact CB-CB 4.04Å; P116-K167 HydrophobicContact CG-CB 3.96Å; P116-L168 HydrophobicContact CG-CD2 4.11Å; P116-L168 HydrophobicContact CG-CG 4.42Å
117	I	98.6	Very high	95.6	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.5	-179.1	-57.6	163.3	0	0	0	109.2	A86 I88 L108 V109 I115 L144 Q145	A86-I117 HydrophobicContact CB-CG1 4.11Å; A86-I117 HydrophobicContact CB-CG2 4.37Å; A86-I117 WeakPolarHBondContact O-CA 3.17Å; I88-I117 HydrophobicContact CD1-CG2 3.92Å; I88-I117 HydrophobicContact CG1-CG2 3.85Å; L108-I117 HydrophobicContact CD2-CD1 3.6Å; L108-I117 HydrophobicContact CD2-CG1 3.92Å; V109-I117 HydrophobicContact CG1-CD1 4.04Å; I115-I117 HydrophobicContact CD1-CG1 4.41Å; I115-I117 HydrophobicContact CG1-CD1 4.24Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.3Å; I115-I117 PolarHBondContact O-N 2.75Å; I117-L144 HydrophobicContact CB-CD2 3.93Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.19Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; I117-Q145 PolarHBondContact O-N 2.73Å
118	V	98.7	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	170.8	-176.4	0	0	0	0	109.2	A86 I87 I88 Q145 Y147 P160 W163 L164	A86-V118 PolarHBondContact O-N 3.24Å; I87-V118 CarbonylContact C-O 3.56Å; I87-V118 VanDerWaalsContact CA-O 3.31Å; I87-V118 WeakPolarHBondContact CA-O 3.44Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I88-V118 PolarHBondContact N-O 3.5Å; V118-Q145 CarbonylContact C-O 3.47Å; V118-Q145 WeakPolarHBondContact CA-O 3.37Å; V118-Q145 HydrophobicContact CG2-CB 4.32Å; V118-Y147 HydrophobicContact CG1-CD2 3.74Å; V118-Y147 HydrophobicContact CG1-CE2 4.29Å; V118-P160 HydrophobicContact CB-CB 4.44Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.4Å; V118-W163 HydrophobicContact CG2-CD2 4.31Å; V118-W163 HydrophobicContact CG2-CE3 3.5Å; V118-W163 VanDerWaalsContact CG2-CE3 3.5Å; V118-W163 HydrophobicContact CG2-CZ3 3.92Å; V118-L164 HydrophobicContact CG2-CD1 4.19Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.7Å
119	L	98.6	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125	168.3	-179.8	65.1	0	0	0	109.1	I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147	I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 CarbonylContact O-C 3.53Å; I88-L119 WeakPolarHBondContact O-CA 3.41Å; I88-L119 WeakPolarHBondContact O-CD1 3.36Å; F90-L119 HydrophobicContact CD1-CD1 3.75Å; F90-L119 HydrophobicContact CD1-CG 4.21Å; F90-L119 HydrophobicContact CE1-CD1 3.98Å; F90-L119 HydrophobicContact CE1-CD2 4.17Å; F90-L119 HydrophobicContact CE1-CG 3.92Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; L119-I136 HydrophobicContact CD2-CG2 4.38Å; L119-H139 HydrophobicContact CD2-CB 4.09Å; L119-Q145 PolarHBondContact N-O 3.05Å; L119-Y146 HydrophobicContact CB-CD2 4.1Å; L119-Y146 HydrophobicContact CD2-CD2 3.93Å; L119-Y146 HydrophobicContact CD2-CE2 4.39Å; L119-Y146 HydrophobicContact CG-CD2 3.87Å; L119-Y146 HydrophobicContact CG-CE2 4.25Å; L119-Y146 WeakPolarHBondContact O-CA 3.43Å; L119-Y146 VanDerWaalsContact O-CD2 3.28Å; L119-Y146 WeakPolarHBondContact O-CD2 3.44Å; L119-Y147 PolarHBondContact O-N 2.9Å
120	C	98.6	Very high	95.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.3	179	-67.1	0	0	0	0	111.5	I87 I88 M89 F90 Y147 I149 P160	I87-C120 HydrophobicContact CG2-CB 4.28Å; I88-C120 PolarHBondContact O-N 2.94Å; M89-C120 WeakPolarHBondContact CA-O 3.3Å; F90-C120 WeakPolarHBondContact CD1-O 3.5Å; F90-C120 PolarHBondContact N-O 3.28Å; C120-Y147 WeakPolarHBondContact CA-O 3.34Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.14Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å
121	G	98.3	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	103.1	165.9	0	0	0	0	0	109.6	F90 Y147 I149	F90-G121 VanDerWaalsContact CZ-CA 3.46Å; G121-Y147 PolarHBondContact N-O 3.19Å; G121-I149 PolarHBondContact O-N 2.49Å
122	N	98.2	Very high	94.9	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	161.8	-178.3	-171.1	32.6	0	0	0	112.1	T21 M89 F90 V92 I149 A151	T21-N122 PolarHBondContact O-ND2 2.91Å; M89-N122 HydrophobicContact CG-CB 3.95Å; M89-N122 HydrophobicContact SD-CB 3.85Å; F90-N122 PolarHBondContact O-N 3.47Å; V92-N122 WeakPolarHBondContact CG2-O 3.33Å; V92-N122 PolarHBondContact N-O 2.82Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.46Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.9Å; N122-I149 PolarHBondContact OD1-O 3.02Å; N122-A151 PolarHBondContact OD1-N 3.05Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å
123	K	96.5	Very high	94.7	Very high	53 Å²	53	51.2 Å²	51.2	23%	0.23	25%	0.249	C	C	.	.			trans	73.7	31.3	176.9	-45.5	-170.9	-167.1	166.9	0	115.2	G20 D91 V92 D125 I126 I149	G20-K123 WeakPolarHBondContact O-CE 3.33Å; G20-K123 PolarHBondContact O-NZ 3.29Å; D91-K123 WeakPolarHBondContact OD2-CD 3.4Å; D91-K123 VanDerWaalsContact OD2-CE 3.24Å; D91-K123 WeakPolarHBondContact OD2-CE 3.15Å; D91-K123 IonicContact OD2-NZ 3.44Å; D91-K123 PolarHBondContact OD2-NZ 3.28Å; V92-K123 WeakPolarHBondContact CG2-O 3.43Å; K123-D125 WeakPolarHBondContact CA-OD1 3.02Å; K123-D125 PolarHBondContact O-N 2.83Å; K123-D125 VanDerWaalsContact O-N 3.13Å; K123-I126 HydrophobicContact CB-CD1 4.02Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.2Å; K123-I126 WeakPolarHBondContact O-CB 3.38Å; K123-I126 PolarHBondContact O-N 2.91Å; K123-I149 PolarHBondContact N-O 2.87Å; K123-I149 VanDerWaalsContact N-O 3.15Å
124	V	96	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.2	175.4	-58.2	0	0	0	0	113.8	V92 I126 M129 D148 I149 Y155 M189 Y197	V92-V124 HydrophobicContact CG1-CG1 3.95Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V124-I126 PolarHBondContact O-N 3.39Å; V124-M129 HydrophobicContact CB-SD 4.26Å; V124-M129 HydrophobicContact CG1-SD 4.21Å; V124-D148 HydrophobicContact CG1-CB 3.83Å; V124-I149 WeakPolarHBondContact CG2-O 3.05Å; V124-I149 PolarHBondContact N-O 3.02Å; V124-Y155 HydrophobicContact CG2-CD1 3.65Å; V124-Y155 HydrophobicContact CG2-CE1 4.15Å; V124-M189 HydrophobicContact CB-CE 4.35Å; V124-M189 HydrophobicContact CG2-CE 3.82Å; V124-M189 HydrophobicContact CG2-SD 4.38Å; V124-Y197 HydrophobicContact CB-CD2 4.13Å; V124-Y197 HydrophobicContact CB-CE2 3.9Å; V124-Y197 WeakPolarHBondContact O-CE2 3.05Å
125	D	93.5	Very high	94.1	Very high	35 Å²	35	47.7 Å²	47.7	19%	0.187	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.7	169	59.7	-71.9	0	0	0	113.3	K123 S150 K152 V187 M189	K123-D125 WeakPolarHBondContact CA-OD1 3.02Å; K123-D125 PolarHBondContact O-N 2.83Å; K123-D125 VanDerWaalsContact O-N 3.13Å; D125-S150 VanDerWaalsContact CG-OG 3.26Å; D125-S150 WeakPolarHBondContact OD1-CB 3.26Å; D125-S150 PolarHBondContact OD1-OG 2.96Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 3.43Å; D125-V187 HydrophobicContact CB-CG2 3.91Å; D125-M189 HydrophobicContact CB-SD 4.44Å
126	I	93	Very high	93.8	Very high	68 Å²	68	46.5 Å²	46.5	35%	0.349	23%	0.225	S	C	.	.	S	Bend	trans	-90.7	118.1	178.7	-58	177.1	0	0	0	110.1	T93 K123 V124 D128 M129	T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.81Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.73Å; K123-I126 HydrophobicContact CB-CD1 4.02Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.2Å; K123-I126 WeakPolarHBondContact O-CB 3.38Å; K123-I126 PolarHBondContact O-N 2.91Å; V124-I126 PolarHBondContact O-N 3.39Å; I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 2.86Å; I126-M129 WeakPolarHBondContact O-CG 3.29Å
127	K	88.4	Confident	93.5	Very high	181 Å²	181	46.6 Å²	46.6	79%	0.787	22%	0.224	S	C	*	.	S	Bend	trans	-59.8	-35.4	-177	-67.5	-173.7	176.4	-174.9	0	114.6	M129	K127-M129 PolarHBondContact O-N 3.21Å
128	D	91	Very high	93.4	Very high	100 Å²	100	47.3 Å²	47.3	54%	0.535	23%	0.226	S	C	.	.	S	Bend	trans	-84.9	56.4	-177.7	-172.4	22.5	0	0	0	112.3	I126 K130	I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 2.86Å; D128-K130 PolarHBondContact O-N 3.13Å; D128-K130 IonicContact OD1-NZ 3.61Å; D128-K130 PolarHBondContact OD1-NZ 2.88Å; D128-K130 WeakPolarHBondContact OD2-CE 3.42Å; D128-K130 IonicContact OD2-NZ 3.79Å; D128-K130 PolarHBondContact OD2-NZ 2.87Å
129	M	90.4	Very high	93.1	Very high	21 Å²	21	48 Å²	48	10%	0.103	23%	0.23	C	C	.	.			trans	-66.9	129.9	177.3	-57.4	-165.6	-56.4	0	0	110.9	V92 V124 I126 K127 Y197	V92-M129 HydrophobicContact CB-CB 4.45Å; V92-M129 HydrophobicContact CB-CG 4.35Å; V92-M129 HydrophobicContact CB-SD 4.12Å; V92-M129 HydrophobicContact CG2-CB 4.27Å; V92-M129 HydrophobicContact CG2-CG 3.72Å; V92-M129 HydrophobicContact CG2-SD 3.67Å; V124-M129 HydrophobicContact CB-SD 4.26Å; V124-M129 HydrophobicContact CG1-SD 4.21Å; I126-M129 WeakPolarHBondContact O-CG 3.29Å; K127-M129 PolarHBondContact O-N 3.21Å; M129-Y197 HydrophobicContact CE-CD1 3.98Å; M129-Y197 HydrophobicContact CE-CE1 3.25Å; M129-Y197 HydrophobicContact CE-CE2 3.96Å; M129-Y197 VanDerWaalsContact CE-OH 3.22Å; M129-Y197 WeakPolarHBondContact CE-OH 3.33Å; M129-Y197 HydrophobicContact SD-CE1 4.34Å; M129-Y197 HydrophobicContact SD-CE2 3.98Å
130	K	93.2	Very high	92.8	Very high	86 Å²	86	51.5 Å²	51.5	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-93.4	-18.5	177.8	-54	-57.7	-179	-168.3	0	113.1	V92 T93 R95 D128	V92-K130 PolarHBondContact O-N 3.3Å; T93-K130 WeakPolarHBondContact O-CG 3.44Å; R95-K130 HydrophobicContact CG-CB 3.75Å; R95-K130 PolarHBondContact NE-O 3.49Å; R95-K130 VanDerWaalsContact NE-O 3.16Å; D128-K130 PolarHBondContact O-N 3.13Å; D128-K130 IonicContact OD1-NZ 3.61Å; D128-K130 PolarHBondContact OD1-NZ 2.88Å; D128-K130 WeakPolarHBondContact OD2-CE 3.42Å; D128-K130 IonicContact OD2-NZ 3.79Å; D128-K130 PolarHBondContact OD2-NZ 2.87Å
131	V	92.6	Very high	92.4	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.036	26%	0.257	C	S	.	.	S	Bend	trans	-120	105.9	175.2	-170.6	0	0	0	0	107.4	F90 V92 R95 Y98 P135 I136	F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; V92-V131 PolarHBondContact O-N 3.33Å; R95-V131 HydrophobicContact CB-CG2 4.44Å; R95-V131 HydrophobicContact CG-CG2 4.11Å; Y98-V131 HydrophobicContact CD1-CG1 4.16Å; Y98-V131 HydrophobicContact CD2-CG1 4.42Å; Y98-V131 HydrophobicContact CG-CG1 3.98Å; V131-P135 HydrophobicContact CG1-CG 4.26Å; V131-I136 HydrophobicContact CG1-CD1 3.95Å; V131-I136 HydrophobicContact CG1-CG1 3.62Å
132	K	90.1	Very high	92.3	Very high	135 Å²	135	59.8 Å²	59.8	59%	0.587	28%	0.279	S	S	*	.			trans	-93.4	175.8	176.8	-62.1	-171.4	176.2	-170.9	0	110.3	K134 P135 I136	K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.03Å; K132-P135 WeakPolarHBondContact O-CD 3.3Å; K132-P135 WeakPolarHBondContact O-CG 3.47Å; K132-I136 VanDerWaalsContact O-CD1 3.29Å; K132-I136 WeakPolarHBondContact O-CD1 3Å; K132-I136 VanDerWaalsContact O-CG1 3.31Å; K132-I136 WeakPolarHBondContact O-CG1 3.36Å
133	A	89.2	Confident	92	Very high	11 Å²	11	66.8 Å²	66.8	9%	0.091	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-47.3	179.5	0	0	0	0	0	114.1	I136 D200 L201 A204	A133-I136 WeakPolarHBondContact O-CB 3.48Å; A133-I136 PolarHBondContact O-N 3.48Å; A133-D200 HydrophobicContact CB-CB 3.84Å; A133-L201 HydrophobicContact CB-CD2 3.8Å; A133-L201 HydrophobicContact CB-CG 4.23Å; A133-A204 HydrophobicContact CB-CB 4.26Å
134	K	87.1	Confident	92.1	Very high	168 Å²	168	65.1 Å²	65.1	73%	0.73	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-48.5	-173.8	-172	173.5	-178.1	175.9	0	115.3	K132 I136	K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.03Å; K134-I136 PolarHBondContact O-N 3.03Å
135	P	88.5	Confident	92.1	Very high	70 Å²	70	67.5 Å²	67.5	46%	0.455	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.8	176.4	26.4	-37.2	0	0	0	115	Y98 V131 K132 L137	Y98-P135 WeakPolarHBondContact CE1-O 3.06Å; Y98-P135 PolarHBondContact OH-O 2.81Å; V131-P135 HydrophobicContact CG1-CG 4.26Å; K132-P135 WeakPolarHBondContact O-CD 3.3Å; K132-P135 WeakPolarHBondContact O-CG 3.47Å; P135-L137 PolarHBondContact O-N 2.74Å
136	I	91.3	Very high	92.3	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.313	C	S	.	.			trans	-85.4	78.5	-175.1	-57.6	165.7	0	0	0	109.7	F90 Y98 L119 V131 K132 A133 K134 H139 Y146	F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.49Å; Y98-I136 HydrophobicContact CE2-CB 4.36Å; Y98-I136 HydrophobicContact CE2-CG1 4.23Å; Y98-I136 HydrophobicContact CE2-CG2 3.89Å; Y98-I136 VanDerWaalsContact OH-CA 3.27Å; Y98-I136 WeakPolarHBondContact OH-CA 3.32Å; L119-I136 HydrophobicContact CD2-CG2 4.38Å; V131-I136 HydrophobicContact CG1-CD1 3.95Å; V131-I136 HydrophobicContact CG1-CG1 3.62Å; K132-I136 VanDerWaalsContact O-CD1 3.29Å; K132-I136 WeakPolarHBondContact O-CD1 3Å; K132-I136 VanDerWaalsContact O-CG1 3.31Å; K132-I136 WeakPolarHBondContact O-CG1 3.36Å; A133-I136 WeakPolarHBondContact O-CB 3.48Å; A133-I136 PolarHBondContact O-N 3.48Å; K134-I136 PolarHBondContact O-N 3.03Å; I136-H139 PolarHBondContact O-CE1 3.2Å; I136-H139 PolarHBondContact O-ND1 2.86Å; I136-H139 VanDerWaalsContact O-ND1 3.11Å; I136-Y146 HydrophobicContact CD1-CE1 4.43Å; I136-Y146 HydrophobicContact CD1-CE2 4.38Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.22Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.38Å
137	L	92.9	Very high	92.5	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.168	30%	0.304	C	S	.	.			trans	-107.6	-16.3	-175.2	-58.9	-180	0	0	0	114.1	Y98 P135 H139 R140 K141 L209 P210	Y98-L137 PolarHBondContact OH-N 2.87Å; P135-L137 PolarHBondContact O-N 2.74Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 2.99Å; L137-R140 WeakPolarHBondContact O-CB 3.33Å; L137-R140 PolarHBondContact O-N 3.21Å; L137-K141 PolarHBondContact O-N 2.98Å; L137-L209 HydrophobicContact CB-CD2 4.07Å; L137-L209 HydrophobicContact CD1-CD2 4.31Å; L137-L209 HydrophobicContact CD2-CD2 3.94Å; L137-L209 HydrophobicContact CG-CD2 4.33Å; L137-P210 HydrophobicContact CD1-CG 3.91Å
138	F	94.9	Very high	93	Very high	21 Å²	21	56.5 Å²	56.5	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-54.8	-39.9	-175.3	-174.1	-99.6	0	0	0	113.7	Y98 V101 P102 H105 R140 K141 K142 L144	Y98-F138 WeakPolarHBondContact OH-CB 3.36Å; Y98-F138 PolarHBondContact OH-N 3.04Å; Y98-F138 VanDerWaalsContact OH-N 3.08Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.73Å; V101-F138 HydrophobicContact CG1-CG 4.11Å; P102-F138 HydrophobicContact CB-CD2 4.29Å; P102-F138 HydrophobicContact CB-CE2 3.68Å; P102-F138 HydrophobicContact CB-CZ 4.21Å; P102-F138 HydrophobicContact CG-CD2 3.76Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.43Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.57Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.58Å; H105-F138 AromaticContact ND1-CZ 3.9Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.15Å; F138-K141 PolarHBondContact O-N 3.32Å; F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.42Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.83Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CD 4.49Å; F138-K142 HydrophobicContact CZ-CG 3.51Å; F138-K142 PolarHBondContact O-N 3.08Å; F138-L144 HydrophobicContact CD1-CD1 4.15Å; F138-L144 HydrophobicContact CE1-CD1 3.96Å
139	H	92.6	Very high	93.3	Very high	15 Å²	15	51.7 Å²	51.7	7%	0.069	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-36	179.3	70.8	-84.9	0	0	0	112.2	L119 I136 L137 K142 N143 L144	L119-H139 HydrophobicContact CD2-CB 4.09Å; I136-H139 PolarHBondContact O-CE1 3.2Å; I136-H139 PolarHBondContact O-ND1 2.86Å; I136-H139 VanDerWaalsContact O-ND1 3.11Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 2.99Å; H139-K142 PolarHBondContact O-N 3.16Å; H139-N143 CarbonylContact O-C 3.6Å; H139-N143 WeakPolarHBondContact O-CA 3.19Å; H139-N143 PolarHBondContact O-N 3.16Å; H139-L144 HydrophobicContact CB-CB 3.99Å; H139-L144 PolarHBondContact O-N 3.23Å
140	R	92.1	Very high	93.5	Very high	73 Å²	73	50.7 Å²	50.7	28%	0.275	24%	0.238	S	C	.	.	H	α-helix	trans	-69.3	-44.7	176.2	-60.7	177.4	63	-165.2	-0.4	111.1	L137 F138 K142 N143 A204 Q205 T207 L209	L137-R140 WeakPolarHBondContact O-CB 3.33Å; L137-R140 PolarHBondContact O-N 3.21Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.15Å; R140-K142 PolarHBondContact O-N 3.35Å; R140-N143 PolarHBondContact O-N 3.45Å; R140-A204 PolarHBondContact NH1-O 3.28Å; R140-Q205 PolarHBondContact NH2-O 2.79Å; R140-T207 PolarHBondContact NH1-O 3.32Å; R140-T207 PolarHBondContact NH2-O 3.15Å; R140-L209 HydrophobicContact CB-CD1 4.17Å; R140-L209 HydrophobicContact CB-CD2 4.02Å
141	K	91.6	Very high	93.6	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.287	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-29.4	177.7	-65.4	-175.9	176.3	-176.1	0	112.9	L137 F138 L209 D215	L137-K141 PolarHBondContact O-N 2.98Å; F138-K141 PolarHBondContact O-N 3.32Å; K141-L209 HydrophobicContact CG-CD1 4.43Å; K141-D215 IonicContact NZ-OD1 2.82Å; K141-D215 PolarHBondContact NZ-OD1 2.86Å; K141-D215 IonicContact NZ-OD2 3.7Å; K141-D215 PolarHBondContact NZ-OD2 3.32Å
142	K	94.4	Very high	93.5	Very high	109 Å²	109	49.9 Å²	49.9	47%	0.474	23%	0.234	S	C	.	.	H	α-helix	trans	-111.4	7.2	-178	-61.3	-55.6	-179.6	-167.6	0	114.8	F138 H139 R140 L144	F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.42Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.83Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CD 4.49Å; F138-K142 HydrophobicContact CZ-CG 3.51Å; F138-K142 PolarHBondContact O-N 3.08Å; H139-K142 PolarHBondContact O-N 3.16Å; R140-K142 PolarHBondContact O-N 3.35Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.05Å; K142-L144 HydrophobicContact CB-CG 3.81Å; K142-L144 WeakPolarHBondContact O-CD2 3.43Å; K142-L144 PolarHBondContact O-N 3.38Å
143	N	93.4	Very high	93.6	Very high	150 Å²	150	44 Å²	44	80%	0.802	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	43.7	-177.5	-167.2	33.2	0	0	0	113.7	H139 R140	H139-N143 CarbonylContact O-C 3.6Å; H139-N143 WeakPolarHBondContact O-CA 3.19Å; H139-N143 PolarHBondContact O-N 3.16Å; R140-N143 PolarHBondContact O-N 3.45Å
144	L	97	Very high	93.7	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.099	21%	0.213	C	C	.	.			trans	-97.1	151.3	176.3	-43.7	-175.4	0	0	0	110	I117 F138 H139 K142	I117-L144 HydrophobicContact CB-CD2 3.93Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.19Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; F138-L144 HydrophobicContact CD1-CD1 4.15Å; F138-L144 HydrophobicContact CE1-CD1 3.96Å; H139-L144 HydrophobicContact CB-CB 3.99Å; H139-L144 PolarHBondContact O-N 3.23Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.05Å; K142-L144 HydrophobicContact CB-CG 3.81Å; K142-L144 WeakPolarHBondContact O-CD2 3.43Å; K142-L144 PolarHBondContact O-N 3.38Å
145	Q	96.9	Very high	94.1	Very high	49 Å²	49	38.2 Å²	38.2	23%	0.229	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.2	166.2	-176	61.5	43.6	0	0	110	I117 V118 L119 Y147 W163	I117-Q145 PolarHBondContact O-N 2.73Å; V118-Q145 CarbonylContact C-O 3.47Å; V118-Q145 WeakPolarHBondContact CA-O 3.37Å; V118-Q145 HydrophobicContact CG2-CB 4.32Å; L119-Q145 PolarHBondContact N-O 3.05Å; Q145-Y147 HydrophobicContact CG-CD2 4.05Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Q145-W163 HydrophobicContact CB-CD2 3.69Å; Q145-W163 VanDerWaalsContact CB-CE2 3.45Å; Q145-W163 HydrophobicContact CB-CE3 4.07Å; Q145-W163 HydrophobicContact CB-CG 4.15Å; Q145-W163 HydrophobicContact CB-CH2 4.03Å; Q145-W163 HydrophobicContact CB-CZ2 3.64Å; Q145-W163 HydrophobicContact CB-CZ3 4.22Å; Q145-W163 HydrophobicContact CG-CD2 3.95Å; Q145-W163 HydrophobicContact CG-CG 3.84Å; Q145-W163 VanDerWaalsContact OE1-NE1 3.11Å
146	Y	97.9	Very high	94.3	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.7	173.4	-179.2	-102.1	0	0	0	111.7	F90 L119 I136 D148 L201	F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.84Å; F90-Y146 HydrophobicContact CZ-CE2 3.84Å; L119-Y146 HydrophobicContact CB-CD2 4.1Å; L119-Y146 HydrophobicContact CD2-CD2 3.93Å; L119-Y146 HydrophobicContact CD2-CE2 4.39Å; L119-Y146 HydrophobicContact CG-CD2 3.87Å; L119-Y146 HydrophobicContact CG-CE2 4.25Å; L119-Y146 WeakPolarHBondContact O-CA 3.43Å; L119-Y146 VanDerWaalsContact O-CD2 3.28Å; L119-Y146 WeakPolarHBondContact O-CD2 3.44Å; I136-Y146 HydrophobicContact CD1-CE1 4.43Å; I136-Y146 HydrophobicContact CD1-CE2 4.38Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.22Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.38Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.28Å; Y146-D148 PolarHBondContact OH-OD1 2.71Å; Y146-L201 HydrophobicContact CD1-CD1 4.07Å; Y146-L201 HydrophobicContact CD1-CD2 3.63Å; Y146-L201 HydrophobicContact CE1-CD1 3.82Å; Y146-L201 HydrophobicContact CE1-CD2 3.4Å; Y146-L201 HydrophobicContact CE1-CG 4.26Å
147	Y	97.7	Very high	94.3	Very high	40 Å²	40	35.6 Å²	35.6	16%	0.157	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.6	166	-66.6	-64.8	0	0	0	111.4	V118 L119 C120 G121 Q145 K159 P160 W163	V118-Y147 HydrophobicContact CG1-CD2 3.74Å; V118-Y147 HydrophobicContact CG1-CE2 4.29Å; L119-Y147 PolarHBondContact O-N 2.9Å; C120-Y147 WeakPolarHBondContact CA-O 3.34Å; G121-Y147 PolarHBondContact N-O 3.19Å; Q145-Y147 HydrophobicContact CG-CD2 4.05Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.83Å; Y147-K159 HydrophobicContact CD2-CB 4.04Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.79Å; Y147-K159 HydrophobicContact CE1-CG 4.42Å; Y147-K159 HydrophobicContact CE2-CB 3.97Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; Y147-P160 HydrophobicContact CD2-CG 4.15Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å
148	D	97.2	Very high	94.3	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.8	156.4	-84	-16.3	0	0	0	109	V124 Y146 Y155 N156 L201	V124-D148 HydrophobicContact CG1-CB 3.83Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.28Å; Y146-D148 PolarHBondContact OH-OD1 2.71Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; D148-N156 WeakPolarHBondContact O-CB 3.34Å; D148-N156 PolarHBondContact O-ND2 2.78Å; D148-L201 HydrophobicContact CB-CD1 4.35Å
149	I	97.4	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.1	178.3	69.2	168.9	0	0	0	111.4	F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160	F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; M89-I149 HydrophobicContact CE-CD1 3.79Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.14Å; G121-I149 PolarHBondContact O-N 2.49Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.46Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.9Å; N122-I149 PolarHBondContact OD1-O 3.02Å; K123-I149 PolarHBondContact N-O 2.87Å; K123-I149 VanDerWaalsContact N-O 3.15Å; V124-I149 WeakPolarHBondContact CG2-O 3.05Å; V124-I149 PolarHBondContact N-O 3.02Å; I149-Y155 WeakPolarHBondContact CA-O 3.25Å; I149-N156 HydrophobicContact CG2-CB 4.1Å; I149-P160 HydrophobicContact CG2-CG 4.3Å
150	S	96.4	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-134.9	115.1	161.1	172.2	0	0	0	0	110.2	D125 K152 S153 N154 Y155	D125-S150 VanDerWaalsContact CG-OG 3.26Å; D125-S150 WeakPolarHBondContact OD1-CB 3.26Å; D125-S150 PolarHBondContact OD1-OG 2.96Å; S150-K152 PolarHBondContact O-N 3.02Å; S150-K152 PolarHBondContact OG-N 2.89Å; S150-K152 VanDerWaalsContact OG-N 3.15Å; S150-S153 VanDerWaalsContact CB-OG 3.27Å; S150-S153 WeakPolarHBondContact CB-OG 3.18Å; S150-S153 PolarHBondContact O-N 3.5Å; S150-S153 PolarHBondContact OG-N 2.94Å; S150-S153 VanDerWaalsContact OG-N 3.15Å; S150-S153 PolarHBondContact OG-OG 3.09Å; S150-N154 WeakPolarHBondContact O-CA 3.38Å; S150-N154 PolarHBondContact O-N 2.84Å; S150-Y155 PolarHBondContact N-O 3.11Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.17Å
151	A	93.6	Very high	94.8	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.7	170.8	0	0	0	0	0	112.6	T25 F26 F35 N122 F157	T25-A151 HydrophobicContact CG2-CB 4.18Å; F26-A151 HydrophobicContact CB-CB 4.25Å; F35-A151 WeakPolarHBondContact CD2-O 3.14Å; N122-A151 PolarHBondContact OD1-N 3.05Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å; A151-F157 HydrophobicContact CB-CE2 4.35Å
152	K	92.1	Very high	95.1	Very high	71 Å²	71	33.3 Å²	33.3	31%	0.309	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-38.2	-178.3	-161.9	-178	-174.3	-168.7	0	112.6	F35 D125 S150 E186 V187	F35-K152 HydrophobicContact CD2-CB 4.23Å; F35-K152 HydrophobicContact CD2-CG 4.23Å; F35-K152 HydrophobicContact CE1-CG 4.08Å; F35-K152 VanDerWaalsContact CE2-CA 3.43Å; F35-K152 HydrophobicContact CE2-CB 3.58Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.91Å; F35-K152 HydrophobicContact CZ-CD 4.15Å; F35-K152 HydrophobicContact CZ-CG 3.64Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 3.43Å; S150-K152 PolarHBondContact O-N 3.02Å; S150-K152 PolarHBondContact OG-N 2.89Å; S150-K152 VanDerWaalsContact OG-N 3.15Å; K152-E186 HydrophobicContact CG-CB 3.9Å; K152-E186 PolarHBondContact O-N 2.87Å; K152-E186 VanDerWaalsContact O-N 3.1Å; K152-V187 HydrophobicContact CB-CG2 4.15Å; K152-V187 HydrophobicContact CD-CB 4.49Å; K152-V187 HydrophobicContact CD-CG1 3.99Å; K152-V187 HydrophobicContact CD-CG2 3.71Å; K152-V187 HydrophobicContact CG-CG1 4.5Å; K152-V187 HydrophobicContact CG-CG2 3.79Å
153	S	91.6	Very high	95.2	Very high	12 Å²	12	30.1 Å²	30.1	8%	0.084	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.1	-179	75.9	0	0	0	0	114.3	S150 Y155 V187	S150-S153 VanDerWaalsContact CB-OG 3.27Å; S150-S153 WeakPolarHBondContact CB-OG 3.18Å; S150-S153 PolarHBondContact O-N 3.5Å; S150-S153 PolarHBondContact OG-N 2.94Å; S150-S153 VanDerWaalsContact OG-N 3.15Å; S150-S153 PolarHBondContact OG-OG 3.09Å; S153-Y155 PolarHBondContact O-N 2.9Å; S153-Y155 VanDerWaalsContact OG-CB 3.25Å; S153-Y155 WeakPolarHBondContact OG-CB 3.49Å; S153-Y155 PolarHBondContact OG-N 2.84Å; S153-V187 VanDerWaalsContact CA-O 3.23Å; S153-V187 WeakPolarHBondContact CA-O 2.95Å; S153-V187 WeakPolarHBondContact CB-O 3.41Å
154	N	91.8	Very high	95.5	Very high	29 Å²	29	23 Å²	23	16%	0.155	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	21.1	-169.1	-52	-26.8	0	0	0	113.5	R29 S150 N156 F157 L182 A183	R29-N154 PolarHBondContact NE-OD1 3.28Å; R29-N154 PolarHBondContact NH2-ND2 2.91Å; R29-N154 PolarHBondContact NH2-OD1 3.39Å; S150-N154 WeakPolarHBondContact O-CA 3.38Å; S150-N154 PolarHBondContact O-N 2.84Å; N154-N156 PolarHBondContact O-N 3.08Å; N154-F157 HydrophobicContact CB-CB 4.4Å; N154-F157 WeakPolarHBondContact O-CB 3.29Å; N154-L182 HydrophobicContact CB-CD1 4.14Å; N154-A183 PolarHBondContact ND2-O 2.89Å
155	Y	94.1	Very high	95.5	Very high	28 Å²	28	22.1 Å²	22.1	11%	0.11	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-69.4	127.1	-180	178.6	-111.4	0	0	0	110.8	V124 D148 I149 S150 S153 F157 M189 A194 E198	V124-Y155 HydrophobicContact CG2-CD1 3.65Å; V124-Y155 HydrophobicContact CG2-CE1 4.15Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; I149-Y155 WeakPolarHBondContact CA-O 3.25Å; S150-Y155 PolarHBondContact N-O 3.11Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.17Å; S153-Y155 PolarHBondContact O-N 2.9Å; S153-Y155 VanDerWaalsContact OG-CB 3.25Å; S153-Y155 WeakPolarHBondContact OG-CB 3.49Å; S153-Y155 PolarHBondContact OG-N 2.84Å; Y155-F157 PolarHBondContact O-N 3.28Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; Y155-M189 HydrophobicContact CD2-CG 4.2Å; Y155-M189 HydrophobicContact CG-CG 4.19Å; Y155-A194 HydrophobicContact CD2-CB 4.29Å; Y155-A194 HydrophobicContact CE2-CB 3.63Å; Y155-E198 WeakPolarHBondContact OH-CG 3.47Å; Y155-E198 PolarHBondContact OH-OE1 2.98Å
156	N	94.2	Very high	95.6	Very high	16 Å²	16	23.1 Å²	23.1	9%	0.086	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	25.8	-178	-69.4	-21.6	0	0	0	114.8	D148 I149 N154 E158 K159 P160	D148-N156 WeakPolarHBondContact O-CB 3.34Å; D148-N156 PolarHBondContact O-ND2 2.78Å; I149-N156 HydrophobicContact CG2-CB 4.1Å; N154-N156 PolarHBondContact O-N 3.08Å; N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.3Å; N156-K159 HydrophobicContact CB-CB 4.45Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.18Å; N156-K159 PolarHBondContact O-N 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.24Å; N156-K159 WeakPolarHBondContact OD1-CE 3.4Å; N156-K159 PolarHBondContact OD1-NZ 3.44Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.43Å
157	F	90.2	Very high	95.6	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	13%	0.126	C	C	.	.			trans	-64	-37.5	-164.5	-165.1	-120.2	0	0	0	113.2	F26 R29 H30 A151 N154 Y155 L182	F26-F157 HydrophobicContact CB-CE2 4.47Å; F26-F157 AromaticContact CD2-CD2 3.61Å; F26-F157 HydrophobicContact CD2-CD2 3.61Å; F26-F157 AromaticContact CD2-CE2 3.28Å; F26-F157 HydrophobicContact CD2-CE2 3.28Å; F26-F157 HydrophobicContact CD2-CZ 4.22Å; F26-F157 AromaticContact CE2-CD2 3.6Å; F26-F157 HydrophobicContact CE2-CD2 3.6Å; F26-F157 AromaticContact CE2-CE2 3.68Å; F26-F157 HydrophobicContact CE2-CE2 3.68Å; F26-F157 HydrophobicContact CE2-CG 4.38Å; F26-F157 HydrophobicContact CG-CE2 4.05Å; F26-F157 WeakPolarHBondContact O-CZ 3.36Å; R29-F157 HydrophobicContact CB-CE1 4.25Å; R29-F157 HydrophobicContact CB-CE2 4.15Å; R29-F157 HydrophobicContact CB-CZ 3.46Å; R29-F157 VanDerWaalsContact CB-CZ 3.46Å; R29-F157 HydrophobicContact CG-CE1 3.88Å; R29-F157 HydrophobicContact CG-CE2 4Å; R29-F157 HydrophobicContact CG-CZ 3.39Å; H30-F157 HydrophobicContact CB-CE1 4.16Å; H30-F157 HydrophobicContact CB-CZ 4.39Å; H30-F157 AromaticContact CD2-CD1 3.83Å; H30-F157 AromaticContact CD2-CE1 3.51Å; H30-F157 AromaticContact CE1-CD1 3.18Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.14Å; H30-F157 AromaticContact CE1-CD2 3.7Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.07Å; H30-F157 AromaticContact CE1-CE2 3.51Å; H30-F157 AromaticContact CE1-CG 3.52Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.3Å; H30-F157 PolarHBondContact CE1-O 2.95Å; H30-F157 VanDerWaalsContact CE1-O 3.31Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.65Å; H30-F157 AromaticContact ND1-CD1 3.76Å; H30-F157 AromaticContact ND1-CE1 3.05Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.36Å; H30-F157 AromaticContact ND1-CE2 3.65Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.26Å; H30-F157 VanDerWaalsContact NE2-CD1 3.26Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.4Å; H30-F157 AromaticContact NE2-CE1 3.34Å; H30-F157 VanDerWaalsContact NE2-CE1 3.34Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.87Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 2.98Å; A151-F157 HydrophobicContact CB-CE2 4.35Å; N154-F157 HydrophobicContact CB-CB 4.4Å; N154-F157 WeakPolarHBondContact O-CB 3.29Å; Y155-F157 PolarHBondContact O-N 3.28Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.7Å; F157-L182 HydrophobicContact CD1-CD2 3.98Å; F157-L182 HydrophobicContact CE1-CD1 4.18Å; F157-L182 HydrophobicContact CE1-CD2 3.61Å
158	E	92.8	Very high	95.6	Very high	56 Å²	56	28.7 Å²	28.7	26%	0.262	13%	0.128	S	C	.	.	S	Bend	trans	-85.7	-20.6	179.5	72.6	-69.4	165.3	0	0	114.1	N156 F161 F162 F176	N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.3Å; E158-F161 PolarHBondContact O-N 3.27Å; E158-F161 VanDerWaalsContact O-N 3.13Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.01Å; E158-F176 HydrophobicContact CB-CD2 4.45Å; E158-F176 HydrophobicContact CB-CE2 4.36Å
159	K	95.8	Very high	95.6	Very high	62 Å²	62	31 Å²	31	27%	0.27	14%	0.14	S	C	.	.	H	α-helix	trans	-55.1	-42.4	-174.1	-69.3	-169.1	178.4	166.4	0	113.3	Y147 N156 F162 W163 E198	Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.83Å; Y147-K159 HydrophobicContact CD2-CB 4.04Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.79Å; Y147-K159 HydrophobicContact CE1-CG 4.42Å; Y147-K159 HydrophobicContact CE2-CB 3.97Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; N156-K159 HydrophobicContact CB-CB 4.45Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.18Å; N156-K159 PolarHBondContact O-N 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.24Å; N156-K159 WeakPolarHBondContact OD1-CE 3.4Å; N156-K159 PolarHBondContact OD1-NZ 3.44Å; K159-F162 PolarHBondContact O-N 2.91Å; K159-W163 PolarHBondContact O-N 2.87Å; K159-E198 IonicContact NZ-OE1 3.07Å
160	P	97.9	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-49	175.7	-26.2	35.8	0	0	0	113	F26 I87 V118 C120 Y147 I149 N156 F162 W163 L164	F26-P160 HydrophobicContact CZ-CG 4.44Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.41Å; V118-P160 HydrophobicContact CB-CB 4.44Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.4Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å; Y147-P160 HydrophobicContact CD2-CG 4.15Å; I149-P160 HydrophobicContact CG2-CG 4.3Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.43Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.5Å; P160-W163 PolarHBondContact O-N 3.05Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.24Å; P160-L164 WeakPolarHBondContact O-CG 3.27Å; P160-L164 PolarHBondContact O-N 3.3Å
161	F	97.4	Very high	95.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-37.1	179.5	-68.6	-79.6	0	0	0	111.9	L13 F26 H30 L50 F52 F61 V63 I87 E158 L164 A165 F176	L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.79Å; F26-F161 AromaticContact CE1-CE2 3.49Å; F26-F161 HydrophobicContact CE1-CE2 3.49Å; F26-F161 VanDerWaalsContact CE1-CE2 3.49Å; F26-F161 AromaticContact CE1-CZ 3.85Å; F26-F161 HydrophobicContact CE1-CZ 3.85Å; F26-F161 HydrophobicContact CZ-CD2 4.23Å; F26-F161 AromaticContact CZ-CE2 3.5Å; F26-F161 HydrophobicContact CZ-CE2 3.5Å; F26-F161 VanDerWaalsContact CZ-CE2 3.5Å; F26-F161 HydrophobicContact CZ-CZ 4.31Å; H30-F161 AromaticContact CD2-CE2 3.88Å; H30-F161 AromaticContact CE1-CD2 3.9Å; H30-F161 AromaticContact CE1-CE2 3.36Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.73Å; H30-F161 AromaticContact NE2-CD2 3.55Å; H30-F161 AromaticContact NE2-CE2 3.41Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.29Å; L50-F161 HydrophobicContact CD1-CE1 3.86Å; L50-F161 HydrophobicContact CD1-CE2 4.28Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å; F52-F161 HydrophobicContact CD2-CB 4.48Å; F52-F161 HydrophobicContact CD2-CD1 4.49Å; F52-F161 HydrophobicContact CE1-CB 4Å; F52-F161 HydrophobicContact CE1-CD2 4.31Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.9Å; F52-F161 AromaticContact CE2-CD1 3.51Å; F52-F161 HydrophobicContact CE2-CD1 3.51Å; F52-F161 HydrophobicContact CE2-CD2 4.24Å; F52-F161 HydrophobicContact CE2-CE1 4.03Å; F52-F161 AromaticContact CE2-CG 3.62Å; F52-F161 HydrophobicContact CE2-CG 3.62Å; F52-F161 HydrophobicContact CZ-CB 3.63Å; F52-F161 AromaticContact CZ-CD1 3.73Å; F52-F161 HydrophobicContact CZ-CD1 3.73Å; F52-F161 AromaticContact CZ-CD2 3.56Å; F52-F161 HydrophobicContact CZ-CD2 3.56Å; F52-F161 HydrophobicContact CZ-CE1 4.24Å; F52-F161 HydrophobicContact CZ-CE2 4.11Å; F52-F161 AromaticContact CZ-CG 3.34Å; F52-F161 HydrophobicContact CZ-CG 3.34Å; F52-F161 HydrophobicContact CZ-CZ 4.42Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.28Å; F61-F161 AromaticContact CD2-CD1 3.68Å; F61-F161 HydrophobicContact CD2-CD1 3.68Å; F61-F161 HydrophobicContact CD2-CE1 4.34Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.01Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.3Å; V63-F161 HydrophobicContact CG2-CE1 4.09Å; V63-F161 HydrophobicContact CG2-CZ 4.42Å; I87-F161 HydrophobicContact CD1-CZ 4.4Å; E158-F161 PolarHBondContact O-N 3.27Å; E158-F161 VanDerWaalsContact O-N 3.13Å; F161-L164 PolarHBondContact O-N 2.98Å; F161-A165 VanDerWaalsContact O-CB 3.26Å; F161-A165 WeakPolarHBondContact O-CB 3.25Å; F161-A165 PolarHBondContact O-N 3.35Å; F161-F176 HydrophobicContact CB-CE2 4.34Å; F161-F176 HydrophobicContact CB-CZ 4.21Å
162	F	96.7	Very high	95.6	Very high	39 Å²	39	39.7 Å²	39.7	17%	0.171	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-48.4	179.2	-174.3	-131.5	0	0	0	112.5	E158 K159 P160 L164 A165 R166 L174 E175 F176	E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.01Å; K159-F162 PolarHBondContact O-N 2.91Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.5Å; F162-L164 PolarHBondContact O-N 2.98Å; F162-A165 PolarHBondContact O-N 3.39Å; F162-R166 PolarHBondContact O-N 3.45Å; F162-L174 HydrophobicContact CD2-CD2 4.09Å; F162-L174 HydrophobicContact CE2-CD2 3.87Å; F162-L174 WeakPolarHBondContact CE2-O 3.49Å; F162-L174 WeakPolarHBondContact CZ-O 3.47Å; F162-E175 WeakPolarHBondContact CZ-OE2 3.45Å; F162-F176 HydrophobicContact CB-CD2 4.33Å; F162-F176 HydrophobicContact CB-CE2 3.81Å; F162-F176 HydrophobicContact CB-CZ 4.01Å; F162-F176 AromaticContact CD2-CD1 3.82Å; F162-F176 HydrophobicContact CD2-CD1 3.82Å; F162-F176 HydrophobicContact CD2-CD2 4.15Å; F162-F176 AromaticContact CD2-CE1 3.87Å; F162-F176 HydrophobicContact CD2-CE1 3.87Å; F162-F176 HydrophobicContact CD2-CE2 4.17Å; F162-F176 AromaticContact CD2-CG 3.99Å; F162-F176 HydrophobicContact CD2-CG 3.99Å; F162-F176 HydrophobicContact CD2-CZ 4.05Å; F162-F176 HydrophobicContact CE2-CD1 4.28Å; F162-F176 HydrophobicContact CE2-CG 4.46Å; F162-F176 HydrophobicContact CG-CE2 4.43Å
163	W	98.1	Very high	95.8	Very high	43 Å²	43	41.5 Å²	41.5	16%	0.163	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-43.6	176.1	-175.2	97.9	0	0	0	111.7	P116 V118 Q145 Y147 K159 P160 R166 K167	P116-W163 HydrophobicContact CB-CH2 4.29Å; P116-W163 HydrophobicContact CB-CZ3 3.78Å; V118-W163 HydrophobicContact CG2-CD2 4.31Å; V118-W163 HydrophobicContact CG2-CE3 3.5Å; V118-W163 VanDerWaalsContact CG2-CE3 3.5Å; V118-W163 HydrophobicContact CG2-CZ3 3.92Å; Q145-W163 HydrophobicContact CB-CD2 3.69Å; Q145-W163 VanDerWaalsContact CB-CE2 3.45Å; Q145-W163 HydrophobicContact CB-CE3 4.07Å; Q145-W163 HydrophobicContact CB-CG 4.15Å; Q145-W163 HydrophobicContact CB-CH2 4.03Å; Q145-W163 HydrophobicContact CB-CZ2 3.64Å; Q145-W163 HydrophobicContact CB-CZ3 4.22Å; Q145-W163 HydrophobicContact CG-CD2 3.95Å; Q145-W163 HydrophobicContact CG-CG 3.84Å; Q145-W163 VanDerWaalsContact OE1-NE1 3.11Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å; K159-W163 PolarHBondContact O-N 2.87Å; P160-W163 PolarHBondContact O-N 3.05Å; W163-R166 PolarHBondContact O-N 3.42Å; W163-K167 HydrophobicContact CD2-CG 3.91Å; W163-K167 HydrophobicContact CE3-CG 3.92Å; W163-K167 HydrophobicContact CH2-CD 4.38Å; W163-K167 HydrophobicContact CH2-CG 3.81Å; W163-K167 HydrophobicContact CZ2-CD 4.11Å; W163-K167 HydrophobicContact CZ2-CG 3.78Å; W163-K167 HydrophobicContact CZ3-CG 3.88Å; W163-K167 WeakPolarHBondContact O-CG 3.45Å; W163-K167 PolarHBondContact O-N 2.82Å
164	L	98.4	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-46.1	176	-73.5	175.9	0	0	0	111.7	L13 F61 C85 I87 P116 V118 P160 F161 F162 R166 K167 L168	L13-L164 HydrophobicContact CD1-CD1 3.54Å; L13-L164 HydrophobicContact CG-CD1 4.48Å; F61-L164 HydrophobicContact CE1-CB 4.26Å; F61-L164 HydrophobicContact CZ-CB 4.15Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.42Å; I87-L164 HydrophobicContact CD1-CD1 4.32Å; I87-L164 HydrophobicContact CG1-CD1 3.97Å; P116-L164 HydrophobicContact CB-CD2 3.74Å; P116-L164 WeakPolarHBondContact O-CD2 3.45Å; V118-L164 HydrophobicContact CG2-CD1 4.19Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.7Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.24Å; P160-L164 WeakPolarHBondContact O-CG 3.27Å; P160-L164 PolarHBondContact O-N 3.3Å; F161-L164 PolarHBondContact O-N 2.98Å; F162-L164 PolarHBondContact O-N 2.98Å; L164-R166 PolarHBondContact O-N 2.79Å; L164-K167 PolarHBondContact O-N 2.68Å; L164-L168 HydrophobicContact CB-CD1 4.4Å; L164-L168 WeakPolarHBondContact O-CB 3.16Å; L164-L168 WeakPolarHBondContact O-CD1 3.49Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.29Å
165	A	97.7	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-46.7	177.6	0	0	0	0	0	111.4	I59 F61 F161 F162 K167 L168 I169 L174 F176	I59-A165 HydrophobicContact CD1-CB 4.1Å; F61-A165 HydrophobicContact CE2-CB 4.43Å; F61-A165 HydrophobicContact CZ-CB 4.19Å; F161-A165 VanDerWaalsContact O-CB 3.26Å; F161-A165 WeakPolarHBondContact O-CB 3.25Å; F161-A165 PolarHBondContact O-N 3.35Å; F162-A165 PolarHBondContact O-N 3.39Å; A165-K167 PolarHBondContact O-N 2.81Å; A165-L168 PolarHBondContact O-N 2.81Å; A165-I169 VanDerWaalsContact O-CB 3.28Å; A165-I169 WeakPolarHBondContact O-CB 3.48Å; A165-I169 WeakPolarHBondContact O-CG1 3.31Å; A165-I169 PolarHBondContact O-N 3.45Å; A165-L174 HydrophobicContact CB-CD1 4.34Å; A165-L174 HydrophobicContact CB-CD2 4.04Å; A165-F176 HydrophobicContact CB-CE1 4.21Å; A165-F176 HydrophobicContact CB-CZ 4.49Å
166	R	97.8	Very high	96.2	Very high	71 Å²	71	44.5 Å²	44.5	27%	0.268	23%	0.231	S	C	.	.	H	α-helix	trans	-57.8	-45.9	175.5	-78	177.6	166.8	-176	-6.7	112.3	F162 W163 L164 G170 D171 P172 L174 E175	F162-R166 PolarHBondContact O-N 3.45Å; W163-R166 PolarHBondContact O-N 3.42Å; L164-R166 PolarHBondContact O-N 2.79Å; R166-G170 WeakPolarHBondContact O-CA 3.36Å; R166-G170 PolarHBondContact O-N 3.25Å; R166-D171 PolarHBondContact O-N 3.17Å; R166-P172 VanDerWaalsContact CZ-O 3.24Å; R166-P172 PolarHBondContact NE-O 2.62Å; R166-P172 PolarHBondContact NH2-O 3.07Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 HydrophobicContact CG-CD2 4.38Å; R166-L174 PolarHBondContact NE-O 2.62Å; R166-L174 PolarHBondContact NH2-O 3.47Å; R166-E175 IonicContact CZ-OE1 3.23Å; R166-E175 IonicContact NH2-OE1 3.48Å; R166-E175 PolarHBondContact NH2-OE1 3.1Å; R166-E175 IonicContact NH2-OE2 2.82Å
167	K	97.8	Very high	96.2	Very high	122 Å²	122	48.3 Å²	48.3	53%	0.53	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-43.1	179.7	-73.2	-67.2	-173.9	178.8	0	112.9	P116 W163 L164 A165	P116-K167 HydrophobicContact CB-CB 4.04Å; P116-K167 HydrophobicContact CG-CB 3.96Å; W163-K167 HydrophobicContact CD2-CG 3.91Å; W163-K167 HydrophobicContact CE3-CG 3.92Å; W163-K167 HydrophobicContact CH2-CD 4.38Å; W163-K167 HydrophobicContact CH2-CG 3.81Å; W163-K167 HydrophobicContact CZ2-CD 4.11Å; W163-K167 HydrophobicContact CZ2-CG 3.78Å; W163-K167 HydrophobicContact CZ3-CG 3.88Å; W163-K167 WeakPolarHBondContact O-CG 3.45Å; W163-K167 PolarHBondContact O-N 2.82Å; L164-K167 PolarHBondContact O-N 2.68Å; A165-K167 PolarHBondContact O-N 2.81Å
168	L	97.8	Very high	95.9	Very high	41 Å²	41	50.7 Å²	50.7	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-35.2	-177.6	-69.5	164.6	0	0	0	112.8	F11 F61 Q84 C85 P116 L164 A165	F11-L168 HydrophobicContact CB-CD1 4.09Å; F11-L168 HydrophobicContact CD1-CB 4.27Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.13Å; F11-L168 HydrophobicContact CD1-CG 4.36Å; F11-L168 HydrophobicContact CD2-CB 4.4Å; F11-L168 HydrophobicContact CD2-CD1 3.8Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.35Å; F11-L168 HydrophobicContact CE1-CD2 4.26Å; F11-L168 HydrophobicContact CE1-CG 4.38Å; F11-L168 HydrophobicContact CE2-CB 3.94Å; F11-L168 HydrophobicContact CE2-CD1 4.18Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.64Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F61-L168 HydrophobicContact CE1-CD1 3.72Å; F61-L168 HydrophobicContact CZ-CD1 4.26Å; Q84-L168 HydrophobicContact CB-CD2 4.34Å; Q84-L168 WeakPolarHBondContact O-CD2 3.31Å; C85-L168 HydrophobicContact CB-CD1 3.96Å; C85-L168 HydrophobicContact CB-CD2 4.4Å; P116-L168 HydrophobicContact CG-CD2 4.11Å; P116-L168 HydrophobicContact CG-CG 4.42Å; L164-L168 HydrophobicContact CB-CD1 4.4Å; L164-L168 WeakPolarHBondContact O-CB 3.16Å; L164-L168 WeakPolarHBondContact O-CD1 3.49Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.29Å; A165-L168 PolarHBondContact O-N 2.81Å
169	I	96.9	Very high	94.9	Very high	56 Å²	56	55.4 Å²	55.4	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-81	-26.5	176.3	-61.3	-64.2	0	0	0	111.5	I9 F11 I59 A165 D171 L174	I9-I169 HydrophobicContact CD1-CD1 3.98Å; I9-I169 HydrophobicContact CG2-CD1 3.96Å; F11-I169 HydrophobicContact CE2-CD1 4.08Å; F11-I169 HydrophobicContact CZ-CD1 3.93Å; I59-I169 HydrophobicContact CD1-CD1 3.86Å; I59-I169 HydrophobicContact CD1-CG1 3.64Å; A165-I169 VanDerWaalsContact O-CB 3.28Å; A165-I169 WeakPolarHBondContact O-CB 3.48Å; A165-I169 WeakPolarHBondContact O-CG1 3.31Å; A165-I169 PolarHBondContact O-N 3.45Å; I169-D171 VanDerWaalsContact C-N 3.29Å; I169-D171 HydrophobicContact CG2-CB 3.92Å; I169-L174 HydrophobicContact CB-CD1 4.01Å; I169-L174 HydrophobicContact CG1-CD1 3.73Å; I169-L174 HydrophobicContact CG2-CD1 4.16Å
170	G	97.2	Very high	93.6	Very high	64 Å²	64	54.3 Å²	54.3	66%	0.66	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	19.2	-174.2	0	0	0	0	0	113.5	R166	R166-G170 WeakPolarHBondContact O-CA 3.36Å; R166-G170 PolarHBondContact O-N 3.25Å
171	D	96.8	Very high	92.2	Very high	29 Å²	29	58.9 Å²	58.9	16%	0.155	34%	0.336	C	S	.	.			trans	-113.7	104.8	177.6	-173.7	-1.9	0	0	0	110.3	R56 R166 I169 N173 L174	R56-D171 IonicContact CZ-OD2 3.09Å; R56-D171 VanDerWaalsContact CZ-OD2 3.23Å; R56-D171 IonicContact NE-OD2 3.32Å; R56-D171 PolarHBondContact NE-OD2 2.9Å; R56-D171 IonicContact NH2-OD2 2.74Å; R56-D171 PolarHBondContact NH2-OD2 2.82Å; R166-D171 PolarHBondContact O-N 3.17Å; I169-D171 VanDerWaalsContact C-N 3.29Å; I169-D171 HydrophobicContact CG2-CB 3.92Å; D171-N173 PolarHBondContact O-N 3.48Å; D171-N173 WeakPolarHBondContact OD1-CA 3.39Å; D171-N173 WeakPolarHBondContact OD1-CB 3.34Å; D171-N173 PolarHBondContact OD1-N 3.03Å; D171-N173 PolarHBondContact OD1-ND2 3.21Å; D171-L174 HydrophobicContact CB-CB 4.35Å; D171-L174 WeakPolarHBondContact O-CB 3.05Å; D171-L174 PolarHBondContact O-N 3.46Å
172	P	95.2	Very high	91	Very high	92 Å²	92	61.3 Å²	61.3	60%	0.597	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.6	176.3	27.9	-34.2	0	0	0	113.2	R166 L174	R166-P172 VanDerWaalsContact CZ-O 3.24Å; R166-P172 PolarHBondContact NE-O 2.62Å; R166-P172 PolarHBondContact NH2-O 3.07Å; P172-L174 VanDerWaalsContact C-N 3.35Å
173	N	96.5	Very high	89.9	Confident	108 Å²	108	61.1 Å²	61.1	58%	0.578	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	9.9	177.7	-51	-67.2	0	0	0	112.7	N55 D171 E175	N55-N173 PolarHBondContact ND2-O 3.29Å; D171-N173 PolarHBondContact O-N 3.48Å; D171-N173 WeakPolarHBondContact OD1-CA 3.39Å; D171-N173 WeakPolarHBondContact OD1-CB 3.34Å; D171-N173 PolarHBondContact OD1-N 3.03Å; D171-N173 PolarHBondContact OD1-ND2 3.21Å; N173-E175 PolarHBondContact O-N 3.04Å
174	L	96.4	Very high	89	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	38%	0.38	C	S	.	.			trans	-64.1	131.9	170.9	-176.1	153.6	0	0	0	108.9	T54 N55 I59 F162 A165 R166 I169 D171 P172 F176	T54-L174 HydrophobicContact CG2-CD1 4.39Å; T54-L174 HydrophobicContact CG2-CD2 3.94Å; T54-L174 HydrophobicContact CG2-CG 4.28Å; N55-L174 WeakPolarHBondContact OD1-CA 3.39Å; I59-L174 HydrophobicContact CD1-CD1 3.73Å; F162-L174 HydrophobicContact CD2-CD2 4.09Å; F162-L174 HydrophobicContact CE2-CD2 3.87Å; F162-L174 WeakPolarHBondContact CE2-O 3.49Å; F162-L174 WeakPolarHBondContact CZ-O 3.47Å; A165-L174 HydrophobicContact CB-CD1 4.34Å; A165-L174 HydrophobicContact CB-CD2 4.04Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 HydrophobicContact CG-CD2 4.38Å; R166-L174 PolarHBondContact NE-O 2.62Å; R166-L174 PolarHBondContact NH2-O 3.47Å; I169-L174 HydrophobicContact CB-CD1 4.01Å; I169-L174 HydrophobicContact CG1-CD1 3.73Å; I169-L174 HydrophobicContact CG2-CD1 4.16Å; D171-L174 HydrophobicContact CB-CB 4.35Å; D171-L174 WeakPolarHBondContact O-CB 3.05Å; D171-L174 PolarHBondContact O-N 3.46Å; P172-L174 VanDerWaalsContact C-N 3.35Å; L174-F176 HydrophobicContact CD2-CD1 4.17Å; L174-F176 HydrophobicContact CD2-CE1 4.11Å
175	E	95.3	Very high	88.2	Confident	90 Å²	90	66.9 Å²	66.9	42%	0.421	40%	0.398	S	S	.	.			trans	-130.1	141.1	179.9	-68.9	-60.6	156.5	0	0	109.7	T54 N55 F162 R166 N173	T54-E175 CarbonylContact C-O 3.5Å; T54-E175 WeakPolarHBondContact CA-O 3.39Å; T54-E175 WeakPolarHBondContact CB-O 3.32Å; N55-E175 PolarHBondContact N-O 3.15Å; N55-E175 PolarHBondContact OD1-N 3.13Å; N55-E175 PolarHBondContact OD1-O 3.02Å; F162-E175 WeakPolarHBondContact CZ-OE2 3.45Å; R166-E175 IonicContact CZ-OE1 3.23Å; R166-E175 IonicContact NH2-OE1 3.48Å; R166-E175 PolarHBondContact NH2-OE1 3.1Å; R166-E175 IonicContact NH2-OE2 2.82Å; N173-E175 PolarHBondContact O-N 3.04Å
176	F	94	Very high	87.4	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.184	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-78.1	124.1	168.3	-71.2	-8.4	0	0	0	109.3	F52 H53 T54 E158 F161 F162 A165 L174	F52-F176 HydrophobicContact CB-CD1 4.33Å; F52-F176 HydrophobicContact CB-CE1 3.81Å; F52-F176 HydrophobicContact CB-CE2 4.36Å; F52-F176 HydrophobicContact CB-CZ 3.82Å; F52-F176 AromaticContact CD1-CD2 3.98Å; F52-F176 HydrophobicContact CD1-CD2 3.98Å; F52-F176 HydrophobicContact CD1-CE1 4.38Å; F52-F176 AromaticContact CD1-CE2 3.39Å; F52-F176 HydrophobicContact CD1-CE2 3.39Å; F52-F176 AromaticContact CD1-CZ 3.61Å; F52-F176 HydrophobicContact CD1-CZ 3.61Å; F52-F176 AromaticContact CE1-CE2 3.91Å; F52-F176 HydrophobicContact CE1-CE2 3.91Å; F52-F176 HydrophobicContact CE1-CZ 4.34Å; F52-F176 HydrophobicContact CG-CE1 4.28Å; F52-F176 HydrophobicContact CG-CE2 4.05Å; F52-F176 AromaticContact CG-CZ 3.76Å; F52-F176 HydrophobicContact CG-CZ 3.76Å; H53-F176 WeakPolarHBondContact O-CA 3.36Å; T54-F176 HydrophobicContact CG2-CD1 3.8Å; T54-F176 HydrophobicContact CG2-CE1 3.93Å; E158-F176 HydrophobicContact CB-CD2 4.45Å; E158-F176 HydrophobicContact CB-CE2 4.36Å; F161-F176 HydrophobicContact CB-CE2 4.34Å; F161-F176 HydrophobicContact CB-CZ 4.21Å; F162-F176 HydrophobicContact CB-CD2 4.33Å; F162-F176 HydrophobicContact CB-CE2 3.81Å; F162-F176 HydrophobicContact CB-CZ 4.01Å; F162-F176 AromaticContact CD2-CD1 3.82Å; F162-F176 HydrophobicContact CD2-CD1 3.82Å; F162-F176 HydrophobicContact CD2-CD2 4.15Å; F162-F176 AromaticContact CD2-CE1 3.87Å; F162-F176 HydrophobicContact CD2-CE1 3.87Å; F162-F176 HydrophobicContact CD2-CE2 4.17Å; F162-F176 AromaticContact CD2-CG 3.99Å; F162-F176 HydrophobicContact CD2-CG 3.99Å; F162-F176 HydrophobicContact CD2-CZ 4.05Å; F162-F176 HydrophobicContact CE2-CD1 4.28Å; F162-F176 HydrophobicContact CE2-CG 4.46Å; F162-F176 HydrophobicContact CG-CE2 4.43Å; A165-F176 HydrophobicContact CB-CE1 4.21Å; A165-F176 HydrophobicContact CB-CZ 4.49Å; L174-F176 HydrophobicContact CD2-CD1 4.17Å; L174-F176 HydrophobicContact CD2-CE1 4.11Å
177	V	92.9	Very high	86.7	Confident	96 Å²	96	70 Å²	70	58%	0.582	42%	0.418	S	S	*	.	S	Bend	trans	-95.9	-11.4	-175.3	-63.9	0	0	0	0	113.3	H53 N55	H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.27Å; H53-V177 PolarHBondContact O-N 3.47Å; N55-V177 HydrophobicContact CB-CG1 3.98Å
178	A	83.5	Confident	86.2	Confident	52 Å²	52	70 Å²	70	43%	0.43	43%	0.428	S	S	.	.	S	Bend	trans	-145.7	134.5	173.1	0	0	0	0	0	109	H53	H53-A178 HydrophobicContact CB-CB 4.48Å
179	M	72	Confident	85.6	Confident	155 Å²	155	69.1 Å²	69.1	76%	0.764	42%	0.423	S	S	*	.			trans	-72.9	141.5	168.2	-74.3	-178.1	158.2	0	0	109.3
180	P	68.5	Low	85.3	Confident	38 Å²	38	70.5 Å²	70.5	25%	0.247	43%	0.431	C	S	.	.			trans	-52.8	144.9	164.7	-21.3	32.2	0	0	0	109.8	F52 L182	F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 3.96Å; P180-L182 VanDerWaalsContact C-N 3.33Å; P180-L182 HydrophobicContact CB-CD2 4.38Å; P180-L182 PolarHBondContact O-N 3.49Å
181	A	69.7	Low	84.9	Confident	97 Å²	97	72.3 Å²	72.3	80%	0.802	43%	0.431	S	S	*	.			trans	-69	91.9	174.7	0	0	0	0	0	109.4
182	L	72.3	Confident	84.7	Confident	53 Å²	53	74.1 Å²	74.1	28%	0.277	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-87.6	138.9	175.2	-58	177.4	0	0	0	109.4	R29 N154 F157 P180	R29-L182 VanDerWaalsContact O-CD2 3.23Å; R29-L182 WeakPolarHBondContact O-CD2 3.08Å; N154-L182 HydrophobicContact CB-CD1 4.14Å; F157-L182 HydrophobicContact CD1-CD1 3.7Å; F157-L182 HydrophobicContact CD1-CD2 3.98Å; F157-L182 HydrophobicContact CE1-CD1 4.18Å; F157-L182 HydrophobicContact CE1-CD2 3.61Å; P180-L182 VanDerWaalsContact C-N 3.33Å; P180-L182 HydrophobicContact CB-CD2 4.38Å; P180-L182 PolarHBondContact O-N 3.49Å
183	A	73.6	Confident	84.4	Confident	34 Å²	34	71 Å²	71	28%	0.281	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-66.3	157.8	167.9	0	0	0	0	0	109.5	R29 G33 N154	R29-A183 PolarHBondContact NH2-O 2.92Å; G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.02Å; G33-A183 VanDerWaalsContact O-N 3.15Å; N154-A183 PolarHBondContact ND2-O 2.89Å
184	P	79	Confident	84.1	Confident	108 Å²	108	66.5 Å²	66.5	70%	0.701	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-50.8	143.4	176.1	-26.8	35.1	0	0	0	111.7	R29	R29-P184 VanDerWaalsContact NH2-C 3.34Å; R29-P184 PolarHBondContact NH2-O 3.45Å
185	P	80.4	Confident	83.9	Confident	57 Å²	57	69.2 Å²	69.2	37%	0.37	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.5	139.2	178.3	27.7	-35.3	0	0	0	111.3	R29 V187	R29-P185 VanDerWaalsContact NH2-CA 3.29Å; P185-V187 WeakPolarHBondContact CB-O 3.49Å; P185-V187 PolarHBondContact O-N 3.23Å
186	E	81.6	Confident	83.8	Confident	89 Å²	89	70 Å²	70	42%	0.416	43%	0.432	S	S	.	.	S	Bend	trans	-69.8	-25.5	175.2	-74.5	-77.7	151.9	0	0	111.5	F35 K37 K152	F35-E186 HydrophobicContact CB-CG 3.6Å; F35-E186 HydrophobicContact CD1-CB 4.47Å; F35-E186 HydrophobicContact CD1-CG 3.74Å; F35-E186 HydrophobicContact CG-CG 3.79Å; K37-E186 VanDerWaalsContact CE-CD 3.48Å; K37-E186 WeakPolarHBondContact CE-OE2 3.36Å; K37-E186 IonicContact NZ-OE1 3.69Å; K37-E186 IonicContact NZ-OE2 2.76Å; K37-E186 PolarHBondContact NZ-OE2 3.5Å; K152-E186 HydrophobicContact CG-CB 3.9Å; K152-E186 PolarHBondContact O-N 2.87Å; K152-E186 VanDerWaalsContact O-N 3.1Å
187	V	83.9	Confident	83.6	Confident	46 Å²	46	68.7 Å²	68.7	28%	0.279	43%	0.426	S	S	.	.	S	Bend	trans	-138.2	139.5	170.9	-62.4	0	0	0	0	109.3	D125 K152 S153 P185	D125-V187 HydrophobicContact CB-CG2 3.91Å; K152-V187 HydrophobicContact CB-CG2 4.15Å; K152-V187 HydrophobicContact CD-CB 4.49Å; K152-V187 HydrophobicContact CD-CG1 3.99Å; K152-V187 HydrophobicContact CD-CG2 3.71Å; K152-V187 HydrophobicContact CG-CG1 4.5Å; K152-V187 HydrophobicContact CG-CG2 3.79Å; S153-V187 VanDerWaalsContact CA-O 3.23Å; S153-V187 WeakPolarHBondContact CA-O 2.95Å; S153-V187 WeakPolarHBondContact CB-O 3.41Å; P185-V187 WeakPolarHBondContact CB-O 3.49Å; P185-V187 PolarHBondContact O-N 3.23Å
188	V	85.8	Confident	83.5	Confident	124 Å²	124	67.7 Å²	67.7	75%	0.752	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-81	125.5	172.9	-177.8	0	0	0	0	108.2	D190	V188-D190 PolarHBondContact O-N 2.81Å
189	M	87.1	Confident	83.9	Confident	22 Å²	22	70.4 Å²	70.4	11%	0.108	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-64.9	127	170	-171.9	65.6	176.8	0	0	108.5	V124 D125 Y155 P191 L193 A194 Y197	V124-M189 HydrophobicContact CB-CE 4.35Å; V124-M189 HydrophobicContact CG2-CE 3.82Å; V124-M189 HydrophobicContact CG2-SD 4.38Å; D125-M189 HydrophobicContact CB-SD 4.44Å; Y155-M189 HydrophobicContact CD2-CG 4.2Å; Y155-M189 HydrophobicContact CG-CG 4.19Å; M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.18Å; M189-L193 HydrophobicContact CE-CD2 4.19Å; M189-L193 HydrophobicContact CE-CG 4.21Å; M189-A194 HydrophobicContact CE-CB 4.4Å; M189-A194 HydrophobicContact CG-CB 4.05Å; M189-Y197 HydrophobicContact CE-CD2 3.68Å; M189-Y197 HydrophobicContact CE-CE2 3.59Å
190	D	89.5	Confident	84.8	Confident	84 Å²	84	65.9 Å²	65.9	45%	0.449	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.4	117.7	174.9	178.1	-8	0	0	0	109.1	V188 A192 L193 A194	V188-D190 PolarHBondContact O-N 2.81Å; D190-A192 PolarHBondContact O-N 3.05Å; D190-A192 WeakPolarHBondContact OD1-CB 3.22Å; D190-A192 PolarHBondContact OD1-N 2.95Å; D190-L193 HydrophobicContact CB-CB 3.81Å; D190-L193 WeakPolarHBondContact O-CB 3.17Å; D190-L193 PolarHBondContact O-N 3.34Å; D190-A194 PolarHBondContact O-N 3.27Å
191	P	89.8	Confident	85.8	Confident	102 Å²	102	65 Å²	65	66%	0.662	39%	0.391	S	S	*	.	H	α-helix	trans	-58.4	-33.3	-178	-25.3	35.2	0	0	0	113.5	M189 L193 A194 A195	M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.18Å; P191-L193 VanDerWaalsContact C-N 3.34Å; P191-A194 PolarHBondContact O-N 2.59Å; P191-A195 WeakPolarHBondContact O-CB 3.23Å; P191-A195 PolarHBondContact O-N 3.42Å
192	A	91.5	Very high	86.8	Confident	67 Å²	67	66 Å²	66	55%	0.554	38%	0.379	S	S	*	.	H	α-helix	trans	-68.3	-37.9	176.9	0	0	0	0	0	111.1	D190 Q196	D190-A192 PolarHBondContact O-N 3.05Å; D190-A192 WeakPolarHBondContact OD1-CB 3.22Å; D190-A192 PolarHBondContact OD1-N 2.95Å; A192-Q196 WeakPolarHBondContact O-CB 3.35Å; A192-Q196 PolarHBondContact O-N 3.15Å
193	L	89.5	Confident	87.6	Confident	28 Å²	28	66.8 Å²	66.8	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-69.9	-41.4	176.5	-170.2	63.2	0	0	0	111.7	M189 D190 P191 Q196 Y197	M189-L193 HydrophobicContact CE-CD2 4.19Å; M189-L193 HydrophobicContact CE-CG 4.21Å; D190-L193 HydrophobicContact CB-CB 3.81Å; D190-L193 WeakPolarHBondContact O-CB 3.17Å; D190-L193 PolarHBondContact O-N 3.34Å; P191-L193 VanDerWaalsContact C-N 3.34Å; L193-Q196 WeakPolarHBondContact O-CB 3.4Å; L193-Q196 PolarHBondContact O-N 3.15Å; L193-Y197 HydrophobicContact CD1-CD1 4.33Å; L193-Y197 HydrophobicContact CD1-CE1 3.55Å; L193-Y197 HydrophobicContact CD1-CE2 4.11Å; L193-Y197 VanDerWaalsContact CD1-CZ 3.43Å; L193-Y197 WeakPolarHBondContact CD1-OH 3.23Å; L193-Y197 HydrophobicContact CD2-CE2 3.98Å; L193-Y197 HydrophobicContact CG-CD2 4.27Å; L193-Y197 HydrophobicContact CG-CE1 4.01Å; L193-Y197 HydrophobicContact CG-CE2 3.63Å; L193-Y197 VanDerWaalsContact CG-CZ 3.48Å; L193-Y197 VanDerWaalsContact O-CG 3.31Å; L193-Y197 PolarHBondContact O-N 3.24Å
194	A	90.6	Very high	88.3	Confident	12 Å²	12	65.9 Å²	65.9	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-46.8	174.3	0	0	0	0	0	111.7	Y155 M189 D190 P191 Q196 Y197 E198	Y155-A194 HydrophobicContact CD2-CB 4.29Å; Y155-A194 HydrophobicContact CE2-CB 3.63Å; M189-A194 HydrophobicContact CE-CB 4.4Å; M189-A194 HydrophobicContact CG-CB 4.05Å; D190-A194 PolarHBondContact O-N 3.27Å; P191-A194 PolarHBondContact O-N 2.59Å; A194-Q196 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.45Å; A194-Y197 PolarHBondContact O-N 3.2Å; A194-E198 PolarHBondContact O-N 3.15Å
195	A	91.7	Very high	88.5	Confident	57 Å²	57	65.2 Å²	65.2	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-38.5	175.9	0	0	0	0	0	112.3	P191 H199	P191-A195 WeakPolarHBondContact O-CB 3.23Å; P191-A195 PolarHBondContact O-N 3.42Å; A195-H199 WeakPolarHBondContact O-CB 3.26Å; A195-H199 PolarHBondContact O-N 3.36Å
196	Q	92.3	Very high	88.8	Confident	106 Å²	106	68.3 Å²	68.3	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175	-177.6	177	9.4	0	0	111.9	A192 L193 A194 H199 D200	A192-Q196 WeakPolarHBondContact O-CB 3.35Å; A192-Q196 PolarHBondContact O-N 3.15Å; L193-Q196 WeakPolarHBondContact O-CB 3.4Å; L193-Q196 PolarHBondContact O-N 3.15Å; A194-Q196 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.45Å; Q196-H199 PolarHBondContact O-N 3.11Å; Q196-D200 WeakPolarHBondContact O-CB 3.42Å; Q196-D200 PolarHBondContact O-N 2.82Å
197	Y	90.6	Very high	88.9	Confident	15 Å²	15	67.4 Å²	67.4	6%	0.059	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-39.3	179.2	-64.8	-19.3	0	0	0	112.6	V124 M129 M189 L193 A194 D200 L201	V124-Y197 HydrophobicContact CB-CD2 4.13Å; V124-Y197 HydrophobicContact CB-CE2 3.9Å; V124-Y197 WeakPolarHBondContact O-CE2 3.05Å; M129-Y197 HydrophobicContact CE-CD1 3.98Å; M129-Y197 HydrophobicContact CE-CE1 3.25Å; M129-Y197 HydrophobicContact CE-CE2 3.96Å; M129-Y197 VanDerWaalsContact CE-OH 3.22Å; M129-Y197 WeakPolarHBondContact CE-OH 3.33Å; M129-Y197 HydrophobicContact SD-CE1 4.34Å; M129-Y197 HydrophobicContact SD-CE2 3.98Å; M189-Y197 HydrophobicContact CE-CD2 3.68Å; M189-Y197 HydrophobicContact CE-CE2 3.59Å; L193-Y197 HydrophobicContact CD1-CD1 4.33Å; L193-Y197 HydrophobicContact CD1-CE1 3.55Å; L193-Y197 HydrophobicContact CD1-CE2 4.11Å; L193-Y197 VanDerWaalsContact CD1-CZ 3.43Å; L193-Y197 WeakPolarHBondContact CD1-OH 3.23Å; L193-Y197 HydrophobicContact CD2-CE2 3.98Å; L193-Y197 HydrophobicContact CG-CD2 4.27Å; L193-Y197 HydrophobicContact CG-CE1 4.01Å; L193-Y197 HydrophobicContact CG-CE2 3.63Å; L193-Y197 VanDerWaalsContact CG-CZ 3.48Å; L193-Y197 VanDerWaalsContact O-CG 3.31Å; L193-Y197 PolarHBondContact O-N 3.24Å; A194-Y197 PolarHBondContact O-N 3.2Å; Y197-D200 PolarHBondContact O-N 2.96Å; Y197-L201 WeakPolarHBondContact O-CG 3.47Å; Y197-L201 PolarHBondContact O-N 3.03Å
198	E	90.9	Very high	88.8	Confident	76 Å²	76	69.2 Å²	69.2	36%	0.355	40%	0.404	S	S	.	.	H	α-helix	trans	-60.3	-45.8	172.9	-72.8	176.9	-177.7	0	0	111.3	Y155 K159 A194 L201 E202	Y155-E198 WeakPolarHBondContact OH-CG 3.47Å; Y155-E198 PolarHBondContact OH-OE1 2.98Å; K159-E198 IonicContact NZ-OE1 3.07Å; A194-E198 PolarHBondContact O-N 3.15Å; E198-L201 PolarHBondContact O-N 3.24Å; E198-E202 WeakPolarHBondContact O-CG 3.29Å; E198-E202 PolarHBondContact O-N 3.29Å
199	H	92.6	Very high	88.5	Confident	109 Å²	109	66.3 Å²	66.3	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-46.3	175.9	-177.2	64	0	0	0	112.7	A195 Q196 L201 E202 V203	A195-H199 WeakPolarHBondContact O-CB 3.26Å; A195-H199 PolarHBondContact O-N 3.36Å; Q196-H199 PolarHBondContact O-N 3.11Å; H199-L201 PolarHBondContact O-N 3.39Å; H199-E202 PolarHBondContact O-N 3.25Å; H199-V203 WeakPolarHBondContact O-CG2 3.47Å; H199-V203 PolarHBondContact O-N 3.3Å
200	D	90.6	Very high	88	Confident	59 Å²	59	68.2 Å²	68.2	32%	0.316	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-35.4	178.5	-76.5	-9.5	0	0	0	111.5	A133 Q196 Y197 A204	A133-D200 HydrophobicContact CB-CB 3.84Å; Q196-D200 WeakPolarHBondContact O-CB 3.42Å; Q196-D200 PolarHBondContact O-N 2.82Å; Y197-D200 PolarHBondContact O-N 2.96Å; D200-A204 WeakPolarHBondContact O-CB 2.96Å; D200-A204 PolarHBondContact O-N 3.47Å
201	L	89.3	Confident	87.1	Confident	20 Å²	20	71 Å²	71	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-70.1	-42.6	174.8	-73.3	172.3	0	0	0	112.8	A133 Y146 D148 Y197 E198 H199 V203 A204 Q205	A133-L201 HydrophobicContact CB-CD2 3.8Å; A133-L201 HydrophobicContact CB-CG 4.23Å; Y146-L201 HydrophobicContact CD1-CD1 4.07Å; Y146-L201 HydrophobicContact CD1-CD2 3.63Å; Y146-L201 HydrophobicContact CE1-CD1 3.82Å; Y146-L201 HydrophobicContact CE1-CD2 3.4Å; Y146-L201 HydrophobicContact CE1-CG 4.26Å; D148-L201 HydrophobicContact CB-CD1 4.35Å; Y197-L201 WeakPolarHBondContact O-CG 3.47Å; Y197-L201 PolarHBondContact O-N 3.03Å; E198-L201 PolarHBondContact O-N 3.24Å; H199-L201 PolarHBondContact O-N 3.39Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-V203 PolarHBondContact O-N 3.27Å; L201-A204 PolarHBondContact O-N 2.98Å; L201-Q205 WeakPolarHBondContact O-CB 3.4Å; L201-Q205 VanDerWaalsContact O-CG 3.26Å; L201-Q205 WeakPolarHBondContact O-CG 3Å; L201-Q205 PolarHBondContact O-N 2.65Å
202	E	90.3	Very high	85.7	Confident	119 Å²	119	74.5 Å²	74.5	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-60.6	-43.3	175.6	-71.8	175.8	173.3	0	0	111.6	E198 H199 Q205 T206	E198-E202 WeakPolarHBondContact O-CG 3.29Å; E198-E202 PolarHBondContact O-N 3.29Å; H199-E202 PolarHBondContact O-N 3.25Å; E202-Q205 PolarHBondContact O-N 2.73Å; E202-T206 PolarHBondContact O-N 3.1Å; E202-T206 PolarHBondContact O-OG1 2.85Å
203	V	89.9	Confident	83.7	Confident	69 Å²	69	80.2 Å²	80.2	42%	0.418	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-43.3	175	175.3	0	0	0	0	110.8	H199 L201 Q205 T206 T207	H199-V203 WeakPolarHBondContact O-CG2 3.47Å; H199-V203 PolarHBondContact O-N 3.3Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-V203 PolarHBondContact O-N 3.27Å; V203-Q205 VanDerWaalsContact C-N 3.32Å; V203-Q205 PolarHBondContact O-N 2.71Å; V203-T206 PolarHBondContact O-N 2.75Å; V203-T206 PolarHBondContact O-OG1 3.33Å; V203-T207 PolarHBondContact O-N 3.19Å; V203-T207 VanDerWaalsContact O-N 3.11Å; V203-T207 PolarHBondContact O-OG1 3.44Å
204	A	87.2	Confident	82	Confident	14 Å²	14	85.3 Å²	85.3	12%	0.116	46%	0.463	C	S	.	.	H	α-helix	trans	-65.7	-32.7	177.5	0	0	0	0	0	113.1	A133 R140 D200 L201	A133-A204 HydrophobicContact CB-CB 4.26Å; R140-A204 PolarHBondContact NH1-O 3.28Å; D200-A204 WeakPolarHBondContact O-CB 2.96Å; D200-A204 PolarHBondContact O-N 3.47Å; L201-A204 PolarHBondContact O-N 2.98Å
205	Q	83.6	Confident	79.9	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.444	49%	0.485	S	S	.	.	H	α-helix	trans	-68.9	-34.3	177	-77.2	173.8	6.8	0	0	112.8	R140 L201 E202 V203	R140-Q205 PolarHBondContact NH2-O 2.79Å; L201-Q205 WeakPolarHBondContact O-CB 3.4Å; L201-Q205 VanDerWaalsContact O-CG 3.26Å; L201-Q205 WeakPolarHBondContact O-CG 3Å; L201-Q205 PolarHBondContact O-N 2.65Å; E202-Q205 PolarHBondContact O-N 2.73Å; V203-Q205 VanDerWaalsContact C-N 3.32Å; V203-Q205 PolarHBondContact O-N 2.71Å
206	T	85.7	Confident	77.2	Confident	121 Å²	121	98.7 Å²	98.7	74%	0.742	52%	0.523	S	S	*	.	H	α-helix	trans	-85.6	-14.8	178.6	53.9	0	0	0	0	113.5	E202 V203	E202-T206 PolarHBondContact O-N 3.1Å; E202-T206 PolarHBondContact O-OG1 2.85Å; V203-T206 PolarHBondContact O-N 2.75Å; V203-T206 PolarHBondContact O-OG1 3.33Å
207	T	83.9	Confident	76.4	Confident	70 Å²	70	98.3 Å²	98.3	43%	0.429	53%	0.525	S	S	.	.	S	Bend	trans	-69.8	139.3	174.8	-57.6	0	0	0	0	110.6	R140 V203	R140-T207 PolarHBondContact NH1-O 3.32Å; R140-T207 PolarHBondContact NH2-O 3.15Å; V203-T207 PolarHBondContact O-N 3.19Å; V203-T207 VanDerWaalsContact O-N 3.11Å; V203-T207 PolarHBondContact O-OG1 3.44Å
208	A	82.6	Confident	75.7	Confident	84 Å²	84	102.7 Å²	102.7	69%	0.694	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-59.5	144.8	174.2	0	0	0	0	0	111.7
209	L	79.9	Confident	74.8	Confident	63 Å²	63	104.2 Å²	104.2	33%	0.33	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-69.9	139.6	170.7	-69.7	174.6	0	0	0	108.7	L137 R140 K141	L137-L209 HydrophobicContact CB-CD2 4.07Å; L137-L209 HydrophobicContact CD1-CD2 4.31Å; L137-L209 HydrophobicContact CD2-CD2 3.94Å; L137-L209 HydrophobicContact CG-CD2 4.33Å; R140-L209 HydrophobicContact CB-CD1 4.17Å; R140-L209 HydrophobicContact CB-CD2 4.02Å; K141-L209 HydrophobicContact CG-CD1 4.43Å
210	P	76.8	Confident	73.8	Confident	62 Å²	62	103.9 Å²	103.9	40%	0.403	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-56	145.9	166.3	-17.5	29.7	0	0	0	109.6	L137	L137-P210 HydrophobicContact CD1-CG 3.91Å
211	D	70.7	Confident	72.7	Confident	142 Å²	142	106.7 Å²	106.7	76%	0.759	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57	145.2	174.7	-65	-41	0	0	0	110	E213	D211-E213 PolarHBondContact O-N 2.78Å
212	E	59.7	Low	71.6	Confident	176 Å²	176	112.5 Å²	112.5	82%	0.822	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-60.3	-8.1	-169.3	-70.4	-169.4	151.4	0	0	115	D214	E212-D214 PolarHBondContact O-N 3.06Å
213	E	50	Low	70.3	Confident	187 Å²	187	112 Å²	112	87%	0.874	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-70	-12.3	-177.4	-63.8	-169.5	168.6	0	0	114.5	D211	D211-E213 PolarHBondContact O-N 2.78Å
214	D	52.6	Low	68.8	Low	135 Å²	135	115.3 Å²	115.3	72%	0.722	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-89.1	1.4	-178.5	-86	-20.9	0	0	0	115.2	E212 L216	E212-D214 PolarHBondContact O-N 3.06Å; D214-L216 PolarHBondContact O-N 2.76Å
215	D	46.8	Very low	67.3	Low	108 Å²	108	123.8 Å²	123.8	58%	0.578	67%	0.672	S	S	*	*			trans	-100.6	71.1	-178.1	-74.1	-8.2	0	0	0	112.9	K141	K141-D215 IonicContact NZ-OD1 2.82Å; K141-D215 PolarHBondContact NZ-OD1 2.86Å; K141-D215 IonicContact NZ-OD2 3.7Å; K141-D215 PolarHBondContact NZ-OD2 3.32Å
216	L	34.8	Very low	65.8	Low	242 Å²	242	126.4 Å²	126.4	100%	1.267	69%	0.693	S	S	*	*			trans	-120.1	0	157.8	-81.2	170.5	0	0	0	111.1	D214	D214-L216 PolarHBondContact O-N 2.76Å

Retrieved 216 of 216 residues in 101.3 ms (Link to these results)

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