A0A3Q0KNI2_SCHMA Loading...

Glutathione synthetase

AlphaFold DB , UniProt , Accession A0A3Q0KNI2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 450 aa.

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(Predicted Aligned Error values between residue pairs)

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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	45.1	Very low	83.7	Confident	224 Å²	224	78.8 Å²	78.8	100%	1.103	42%	0.421	S	S	*	.				0	123.5	0	-77.9	-175.6	175.5	0	0	107.1	T3	M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2	T	63.1	Low	84.4	Confident	130 Å²	130	72.3 Å²	72.3	80%	0.798	39%	0.386	S	S	*	.			trans	-64.2	114	176.5	44.2	0	0	0	0	109.2	T4	T2-T4 PolarHBondContact O-N 3.47Å
3	T	79	Confident	85	Confident	65 Å²	65	71.3 Å²	71.3	40%	0.399	38%	0.378	S	S	.	.			trans	-66.3	117.7	178.9	-16.3	0	0	0	0	108.5	M1 L8 K441	M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-L8 HydrophobicContact CG2-CD1 4.44Å; T3-L8 HydrophobicContact CG2-CD2 3.91Å; T3-L8 HydrophobicContact CG2-CG 4.04Å; T3-K441 WeakPolarHBondContact O-CD 3.43Å; T3-K441 VanDerWaalsContact O-CE 3.25Å; T3-K441 WeakPolarHBondContact O-CE 3.43Å
4	T	88.7	Confident	85.5	Confident	45 Å²	45	79.4 Å²	79.4	28%	0.276	41%	0.408	S	S	.	.			trans	-86.7	150.3	176.4	59.2	0	0	0	0	109.6	T2 S6 K7 L8	T2-T4 PolarHBondContact O-N 3.47Å; T4-S6 VanDerWaalsContact C-N 3.26Å; T4-S6 PolarHBondContact O-N 3.16Å; T4-S6 PolarHBondContact OG1-OG 3.07Å; T4-K7 PolarHBondContact O-N 3.22Å; T4-K7 VanDerWaalsContact O-N 3.15Å; T4-K7 WeakPolarHBondContact OG1-CG 3.12Å; T4-L8 PolarHBondContact O-N 2.95Å
5	W	90.8	Very high	85.8	Confident	8 Å²	8	79.3 Å²	79.3	3%	0.03	41%	0.408	C	S	.	.	H	α-helix	trans	-59.8	-39	177.8	-77.2	116.1	0	0	0	112.3	K7 L8 I9 E85 R86 P87 W297 M438 K441 L442 D445	W5-K7 VanDerWaalsContact C-N 3.27Å; W5-K7 PolarHBondContact O-N 3.2Å; W5-L8 HydrophobicContact CE3-CD1 4.14Å; W5-L8 HydrophobicContact CZ3-CD1 4.38Å; W5-L8 PolarHBondContact O-N 3.13Å; W5-I9 WeakPolarHBondContact O-CG1 3.46Å; W5-I9 PolarHBondContact O-N 2.87Å; W5-E85 HydrophobicContact CB-CB 3.79Å; W5-E85 WeakPolarHBondContact CB-O 3.49Å; W5-E85 HydrophobicContact CG-CB 4.35Å; W5-R86 HydrophobicContact CD2-CG 4.44Å; W5-R86 HydrophobicContact CZ2-CG 4.34Å; W5-P87 HydrophobicContact CE3-CG 4.23Å; W5-P87 HydrophobicContact CH2-CG 4.38Å; W5-P87 HydrophobicContact CZ3-CG 3.78Å; W5-W297 AromaticContact CH2-CH2 3.99Å; W5-W297 HydrophobicContact CH2-CH2 3.99Å; W5-W297 HydrophobicContact CH2-CZ2 4.2Å; W5-W297 HydrophobicContact CZ3-CH2 4.44Å; W5-M438 WeakPolarHBondContact CH2-O 3.33Å; W5-M438 HydrophobicContact CZ3-CB 4.02Å; W5-M438 HydrophobicContact CZ3-CG 4.07Å; W5-K441 HydrophobicContact CD2-CG 3.8Å; W5-K441 HydrophobicContact CE3-CG 4.19Å; W5-K441 HydrophobicContact CG-CG 4.35Å; W5-K441 HydrophobicContact CH2-CB 4.11Å; W5-K441 HydrophobicContact CH2-CG 4.1Å; W5-K441 HydrophobicContact CZ2-CB 4.11Å; W5-K441 HydrophobicContact CZ2-CG 3.68Å; W5-K441 HydrophobicContact CZ3-CB 4.39Å; W5-K441 HydrophobicContact CZ3-CG 4.33Å; W5-L442 HydrophobicContact CH2-CB 4.03Å; W5-L442 HydrophobicContact CZ2-CB 4.05Å; W5-L442 HydrophobicContact CZ2-CD1 4.47Å; W5-D445 PolarHBondContact NE1-OD2 2.76Å
6	S	89.2	Confident	86	Confident	60 Å²	60	75.1 Å²	75.1	42%	0.42	39%	0.387	S	S	.	.	H	α-helix	trans	-51.9	-43.2	174.7	53.7	0	0	0	0	113.2	T4 S10	T4-S6 VanDerWaalsContact C-N 3.26Å; T4-S6 PolarHBondContact O-N 3.16Å; T4-S6 PolarHBondContact OG1-OG 3.07Å; S6-S10 PolarHBondContact O-N 3.44Å; S6-S10 PolarHBondContact O-OG 3.28Å; S6-S10 VanDerWaalsContact O-OG 3.05Å
7	K	92.4	Very high	86.1	Confident	115 Å²	115	74.8 Å²	74.8	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-69.1	-40.2	178	-72.1	175.2	-176.5	177.1	0	112.1	T4 W5 R11	T4-K7 PolarHBondContact O-N 3.22Å; T4-K7 VanDerWaalsContact O-N 3.15Å; T4-K7 WeakPolarHBondContact OG1-CG 3.12Å; W5-K7 VanDerWaalsContact C-N 3.27Å; W5-K7 PolarHBondContact O-N 3.2Å; K7-R11 VanDerWaalsContact O-CG 3.3Å; K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 3.16Å; K7-R11 VanDerWaalsContact O-N 3.13Å
8	L	94.2	Very high	86.2	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-66	-44.6	177.9	-69.2	172.9	0	0	0	111.3	T3 T4 W5 R11 A12 L434 E437 M438 K441	T3-L8 HydrophobicContact CG2-CD1 4.44Å; T3-L8 HydrophobicContact CG2-CD2 3.91Å; T3-L8 HydrophobicContact CG2-CG 4.04Å; T4-L8 PolarHBondContact O-N 2.95Å; W5-L8 HydrophobicContact CE3-CD1 4.14Å; W5-L8 HydrophobicContact CZ3-CD1 4.38Å; W5-L8 PolarHBondContact O-N 3.13Å; L8-R11 PolarHBondContact O-N 2.92Å; L8-A12 PolarHBondContact O-N 2.78Å; L8-L434 HydrophobicContact CD2-CD1 4.06Å; L8-E437 HydrophobicContact CD2-CB 3.76Å; L8-E437 WeakPolarHBondContact CD2-OE2 3.19Å; L8-M438 HydrophobicContact CB-CE 3.99Å; L8-M438 HydrophobicContact CB-CG 4.24Å; L8-M438 HydrophobicContact CD1-CG 4.29Å; L8-M438 WeakPolarHBondContact O-CE 3.48Å; L8-K441 HydrophobicContact CD1-CB 3.83Å; L8-K441 HydrophobicContact CD1-CG 4.07Å
9	I	91.9	Very high	86.2	Confident	29 Å²	29	72.5 Å²	72.5	15%	0.149	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-51.9	176.7	-68.2	169.2	0	0	0	110.2	W5 R11 A12 E13 E85 P87 L91	W5-I9 WeakPolarHBondContact O-CG1 3.46Å; W5-I9 PolarHBondContact O-N 2.87Å; I9-R11 PolarHBondContact O-N 3.38Å; I9-A12 WeakPolarHBondContact O-CA 3.2Å; I9-A12 WeakPolarHBondContact O-CB 3.13Å; I9-A12 PolarHBondContact O-N 3.43Å; I9-E13 HydrophobicContact CG2-CG 4.13Å; I9-E13 WeakPolarHBondContact O-CG 3.46Å; I9-E13 PolarHBondContact O-N 2.93Å; I9-E85 WeakPolarHBondContact CD1-O 3.5Å; I9-P87 HydrophobicContact CD1-CB 4.41Å; I9-P87 HydrophobicContact CG1-CB 4.13Å; I9-L91 HydrophobicContact CB-CD2 4.48Å; I9-L91 HydrophobicContact CG1-CD2 4.19Å; I9-L91 HydrophobicContact CG2-CD2 4.22Å
10	S	91.6	Very high	86.1	Confident	73 Å²	73	69.9 Å²	69.9	51%	0.51	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-34.4	179.7	-61.3	0	0	0	0	113	S6 K14	S6-S10 PolarHBondContact O-N 3.44Å; S6-S10 PolarHBondContact O-OG 3.28Å; S6-S10 VanDerWaalsContact O-OG 3.05Å; S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 PolarHBondContact O-N 2.7Å
11	R	94.4	Very high	85.8	Confident	118 Å²	118	67.9 Å²	67.9	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-40.6	173.4	-75.8	171.8	62.8	-159.2	-4.1	111.9	K7 L8 I9 K14 L15 L434 E437	K7-R11 VanDerWaalsContact O-CG 3.3Å; K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 3.16Å; K7-R11 VanDerWaalsContact O-N 3.13Å; L8-R11 PolarHBondContact O-N 2.92Å; I9-R11 PolarHBondContact O-N 3.38Å; R11-K14 PolarHBondContact O-N 2.98Å; R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 PolarHBondContact O-N 3.36Å; R11-L434 HydrophobicContact CB-CD1 4.17Å; R11-L434 HydrophobicContact CB-CD2 4.2Å; R11-E437 IonicContact CZ-OE1 3.4Å; R11-E437 IonicContact CZ-OE2 3.97Å; R11-E437 IonicContact NH1-OE1 2.78Å; R11-E437 PolarHBondContact NH1-OE1 3.43Å; R11-E437 IonicContact NH1-OE2 2.89Å; R11-E437 PolarHBondContact NH1-OE2 3.05Å; R11-E437 IonicContact NH2-OE1 3.5Å; R11-E437 PolarHBondContact NH2-OE1 3.22Å; R11-E437 IonicContact NH2-OE2 2.7Å
12	A	92.5	Very high	87.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-46.2	178.7	0	0	0	0	0	111	L8 I9 K14 L15 L16 L91 L95 L434 M438	L8-A12 PolarHBondContact O-N 2.78Å; I9-A12 WeakPolarHBondContact O-CA 3.2Å; I9-A12 WeakPolarHBondContact O-CB 3.13Å; I9-A12 PolarHBondContact O-N 3.43Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3.33Å; A12-L15 WeakPolarHBondContact O-CB 3.33Å; A12-L15 PolarHBondContact O-N 3.18Å; A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.84Å; A12-L91 HydrophobicContact CB-CD1 4.03Å; A12-L91 HydrophobicContact CB-CD2 3.92Å; A12-L91 HydrophobicContact CB-CG 4.18Å; A12-L95 HydrophobicContact CB-CD1 4.18Å; A12-L95 HydrophobicContact CB-CD2 4.26Å; A12-L434 HydrophobicContact CB-CD2 3.51Å; A12-M438 HydrophobicContact CB-CE 3.65Å
13	E	91.7	Very high	87.9	Confident	60 Å²	60	53.8 Å²	53.8	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176	-63.8	-177.5	147.7	0	0	111.3	I9 L15 L16 G17 G18 P19 L91	I9-E13 HydrophobicContact CG2-CG 4.13Å; I9-E13 WeakPolarHBondContact O-CG 3.46Å; I9-E13 PolarHBondContact O-N 2.93Å; E13-L15 PolarHBondContact O-N 2.94Å; E13-L16 CarbonylContact O-C 3.51Å; E13-L16 PolarHBondContact O-N 3.06Å; E13-G17 PolarHBondContact O-N 2.78Å; E13-G18 WeakPolarHBondContact CA-O 3.37Å; E13-G18 PolarHBondContact O-N 3.42Å; E13-P19 WeakPolarHBondContact OE1-CA 3.25Å; E13-P19 WeakPolarHBondContact OE1-CB 3.45Å; E13-L91 HydrophobicContact CG-CD1 4.32Å
14	K	92	Very high	87.3	Confident	184 Å²	184	54.2 Å²	54.2	80%	0.8	30%	0.303	S	S	*	.	H	α-helix	trans	-62.2	-43.3	175.3	-172.6	177.3	-179.2	-178.8	0	112	S10 R11 A12 L16 G17	S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 PolarHBondContact O-N 2.7Å; R11-K14 PolarHBondContact O-N 2.98Å; A12-K14 VanDerWaalsContact C-N 3.3Å; A12-K14 PolarHBondContact O-N 3.33Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-G17 PolarHBondContact O-N 2.83Å
15	L	90.3	Very high	86	Confident	78 Å²	78	54.3 Å²	54.3	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-41.4	176.7	178.3	66	0	0	0	111.6	R11 A12 E13 G17 L95 P430 L434	R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 PolarHBondContact O-N 3.36Å; A12-L15 WeakPolarHBondContact O-CB 3.33Å; A12-L15 PolarHBondContact O-N 3.18Å; E13-L15 PolarHBondContact O-N 2.94Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.17Å; L15-L95 HydrophobicContact CD2-CD2 4.4Å; L15-P430 HydrophobicContact CD1-CB 3.75Å; L15-P430 HydrophobicContact CD2-CB 4.08Å; L15-L434 HydrophobicContact CD2-CD2 4.45Å
16	L	89.1	Confident	84.4	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	32%	0.322	C	S	.	.	H	α-helix	trans	-82.2	-4.7	-177.5	-64.5	169	0	0	0	112.9	A12 E13 K14 L91 L94 L95 Q98 R114	A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.84Å; E13-L16 CarbonylContact O-C 3.51Å; E13-L16 PolarHBondContact O-N 3.06Å; K14-L16 VanDerWaalsContact C-N 3.33Å; L16-L91 HydrophobicContact CD1-CD1 3.54Å; L16-L94 HydrophobicContact CD1-CB 3.64Å; L16-L94 HydrophobicContact CD1-CD1 3.97Å; L16-L94 HydrophobicContact CD1-CG 4.46Å; L16-L94 HydrophobicContact CD2-CB 3.99Å; L16-L94 HydrophobicContact CG-CB 4.45Å; L16-L95 HydrophobicContact CD1-CD2 4.19Å; L16-L95 HydrophobicContact CD1-CG 4.35Å; L16-L95 HydrophobicContact CG-CD2 4.44Å; L16-Q98 HydrophobicContact CD2-CB 4.38Å; L16-Q98 HydrophobicContact CD2-CG 3.58Å; L16-R114 PolarHBondContact O-NH1 3.49Å; L16-R114 PolarHBondContact O-NH2 2.91Å
17	G	88.2	Confident	82.8	Confident	70 Å²	70	56.5 Å²	56.5	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	21.8	-178.7	0	0	0	0	0	114.8	E13 K14 L15	E13-G17 PolarHBondContact O-N 2.78Å; K14-G17 PolarHBondContact O-N 2.83Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.17Å
18	G	87.3	Confident	81.1	Confident	20 Å²	20	51.8 Å²	51.8	21%	0.206	30%	0.3	C	S	.	.	S	Bend	trans	148.3	175.4	175.3	0	0	0	0	0	113.2	E13 R114	E13-G18 WeakPolarHBondContact CA-O 3.37Å; E13-G18 PolarHBondContact O-N 3.42Å; G18-R114 PolarHBondContact O-NH2 3.4Å
19	P	87	Confident	79.2	Confident	86 Å²	86	57.5 Å²	57.5	56%	0.558	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-59.7	158.3	176.1	26.8	-34.7	0	0	0	112.1	E13	E13-P19 WeakPolarHBondContact OE1-CA 3.25Å; E13-P19 WeakPolarHBondContact OE1-CB 3.45Å
20	S	83.3	Confident	78	Confident	19 Å²	19	58.8 Å²	58.8	13%	0.133	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.1	168.2	177.8	0	0	0	0	109.5	G90 L91 S117	S20-G90 VanDerWaalsContact OG-C 3.25Å; S20-G90 WeakPolarHBondContact OG-CA 3.39Å; S20-L91 PolarHBondContact OG-N 3.37Å; S20-S117 PolarHBondContact OG-OG 3.1Å
21	P	80.2	Confident	77.1	Confident	29 Å²	29	59.8 Å²	59.8	19%	0.188	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.8	147.2	171.1	29.2	-33.2	0	0	0	109.5	R114 E118	P21-R114 HydrophobicContact CG-CB 4.06Å; P21-R114 HydrophobicContact CG-CG 4.26Å; P21-R114 WeakPolarHBondContact CG-O 3.38Å; P21-E118 HydrophobicContact CB-CB 3.96Å; P21-E118 HydrophobicContact CB-CG 4.13Å; P21-E118 HydrophobicContact CG-CB 4.02Å
22	Y	77.5	Confident	75.9	Confident	25 Å²	25	59.8 Å²	59.8	10%	0.098	35%	0.353	C	S	.	.			trans	-113.4	-78.7	-178.3	-172.5	-110.6	0	0	0	111	C58 L59 E118 E121 T122 T125	Y22-C58 WeakPolarHBondContact CE1-O 3.37Å; Y22-C58 WeakPolarHBondContact OH-CA 3.21Å; Y22-C58 VanDerWaalsContact OH-CB 3.29Å; Y22-C58 WeakPolarHBondContact OH-CB 3.38Å; Y22-C58 PolarHBondContact OH-O 2.99Å; Y22-L59 HydrophobicContact CD1-CD2 4.41Å; Y22-L59 HydrophobicContact CE1-CD2 3.9Å; Y22-E118 WeakPolarHBondContact O-CG 3.4Å; Y22-E121 HydrophobicContact CD2-CB 3.52Å; Y22-E121 HydrophobicContact CD2-CG 3.76Å; Y22-E121 WeakPolarHBondContact CD2-OE2 3.36Å; Y22-E121 HydrophobicContact CE2-CB 3.78Å; Y22-E121 HydrophobicContact CE2-CG 4.23Å; Y22-E121 WeakPolarHBondContact CE2-OE2 3.43Å; Y22-E121 HydrophobicContact CG-CB 4.34Å; Y22-E121 WeakPolarHBondContact O-CB 3.39Å; Y22-T122 PolarHBondContact O-OG1 2.89Å; Y22-T125 VanDerWaalsContact CZ-OG1 3.26Å; Y22-T125 PolarHBondContact OH-OG1 3.15Å
23	I	74.8	Confident	75	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.169	36%	0.358	C	S	.	.			trans	-133.5	117.9	175.5	-61.2	170.3	0	0	0	107.7	L25 I28 T125 L167	I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 HydrophobicContact CG2-CD2 3.62Å; I23-L25 HydrophobicContact CG2-CG 3.94Å; I23-L25 PolarHBondContact O-N 3.06Å; I23-L25 VanDerWaalsContact O-N 3.09Å; I23-I28 HydrophobicContact CG2-CD1 3.95Å; I23-T125 HydrophobicContact CD1-CG2 3.71Å; I23-L167 HydrophobicContact CG2-CD2 4.25Å
24	N	66.1	Low	74.2	Confident	74 Å²	74	59.2 Å²	59.2	40%	0.396	36%	0.362	S	S	.	.			trans	-81.7	87.6	167.2	-168.8	-15.1	0	0	0	109.2	G26 N27 E118	N24-G26 PolarHBondContact O-N 3.13Å; N24-G26 WeakPolarHBondContact OD1-CA 3.4Å; N24-G26 PolarHBondContact OD1-N 2.65Å; N24-N27 PolarHBondContact O-N 2.96Å; N24-N27 VanDerWaalsContact O-N 3.11Å; N24-E118 WeakPolarHBondContact CA-OE1 3.39Å; N24-E118 WeakPolarHBondContact CB-OE1 3.43Å; N24-E118 WeakPolarHBondContact CB-OE2 3.18Å; N24-E118 PolarHBondContact N-OE1 3.27Å
25	L	60.6	Low	73.6	Confident	46 Å²	46	53.5 Å²	53.5	24%	0.241	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.9	-15.9	171.6	-64.8	174.6	0	0	0	112.1	I23 N27 I28 L29 L67	I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 HydrophobicContact CG2-CD2 3.62Å; I23-L25 HydrophobicContact CG2-CG 3.94Å; I23-L25 PolarHBondContact O-N 3.06Å; I23-L25 VanDerWaalsContact O-N 3.09Å; L25-N27 PolarHBondContact O-N 3.34Å; L25-I28 HydrophobicContact CD2-CB 4.41Å; L25-I28 HydrophobicContact CD2-CD1 3.78Å; L25-I28 HydrophobicContact CD2-CG2 4.43Å; L25-I28 CarbonylContact O-C 3.2Å; L25-I28 WeakPolarHBondContact O-CA 3.43Å; L25-I28 WeakPolarHBondContact O-CB 3.48Å; L25-I28 PolarHBondContact O-N 3.15Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.18Å; L25-L67 HydrophobicContact CD1-CD1 3.79Å
26	G	58.9	Low	73.2	Confident	46 Å²	46	51.1 Å²	51.1	47%	0.474	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.3	-31.4	172.1	0	0	0	0	0	114.1	N24 I28	N24-G26 PolarHBondContact O-N 3.13Å; N24-G26 WeakPolarHBondContact OD1-CA 3.4Å; N24-G26 PolarHBondContact OD1-N 2.65Å; G26-I28 VanDerWaalsContact C-N 3.35Å
27	N	55.3	Low	72.8	Confident	68 Å²	68	51.3 Å²	51.3	36%	0.364	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-79	-20.5	172.6	-69.7	-37.2	0	0	0	112.9	N24 L25 K177	N24-N27 PolarHBondContact O-N 2.96Å; N24-N27 VanDerWaalsContact O-N 3.11Å; L25-N27 PolarHBondContact O-N 3.34Å; N27-K177 PolarHBondContact OD1-NZ 3Å
28	I	56	Low	72.5	Confident	17 Å²	17	51.2 Å²	51.2	9%	0.087	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.3	-177.6	-68.8	153.3	0	0	0	111.4	I23 L25 G26 S30 A33 V166 L167	I23-I28 HydrophobicContact CG2-CD1 3.95Å; L25-I28 HydrophobicContact CD2-CB 4.41Å; L25-I28 HydrophobicContact CD2-CD1 3.78Å; L25-I28 HydrophobicContact CD2-CG2 4.43Å; L25-I28 CarbonylContact O-C 3.2Å; L25-I28 WeakPolarHBondContact O-CA 3.43Å; L25-I28 WeakPolarHBondContact O-CB 3.48Å; L25-I28 PolarHBondContact O-N 3.15Å; G26-I28 VanDerWaalsContact C-N 3.35Å; I28-S30 PolarHBondContact O-N 3.37Å; I28-A33 HydrophobicContact CB-CB 4.45Å; I28-A33 HydrophobicContact CG2-CB 3.19Å; I28-A33 WeakPolarHBondContact O-CB 3.44Å; I28-V166 HydrophobicContact CG1-CG1 4.3Å; I28-V166 HydrophobicContact CG2-CG1 3.75Å; I28-L167 HydrophobicContact CD1-CD2 3.35Å; I28-L167 HydrophobicContact CG1-CD2 4.47Å
29	L	55.2	Low	72.3	Confident	120 Å²	120	56.3 Å²	56.3	63%	0.628	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	34	179.5	-80.5	172.2	0	0	0	114.5	L25	L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.18Å
30	S	66.7	Low	72.2	Confident	55 Å²	55	52.5 Å²	52.5	39%	0.385	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	154.5	154	84.2	0	0	0	0	109.6	I28 E32 A33 G34	I28-S30 PolarHBondContact O-N 3.37Å; S30-E32 WeakPolarHBondContact CB-OE2 3.32Å; S30-E32 PolarHBondContact O-N 3.42Å; S30-E32 PolarHBondContact OG-OE2 3.41Å; S30-A33 PolarHBondContact O-N 3.04Å; S30-G34 PolarHBondContact O-N 3.15Å
31	S	71.9	Confident	72.2	Confident	94 Å²	94	58 Å²	58	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-49.8	-31.6	177.3	27.9	0	0	0	0	112.7	S35	S31-S35 WeakPolarHBondContact O-CB 3.19Å; S31-S35 PolarHBondContact O-N 3.24Å
32	E	70.3	Confident	72.5	Confident	119 Å²	119	65.1 Å²	65.1	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-71.1	-46.2	-176.5	-58.8	70.3	-140.7	0	0	111.9	S30 G34 S35 L36	S30-E32 WeakPolarHBondContact CB-OE2 3.32Å; S30-E32 PolarHBondContact O-N 3.42Å; S30-E32 PolarHBondContact OG-OE2 3.41Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-S35 WeakPolarHBondContact O-CB 3.5Å; E32-S35 PolarHBondContact O-N 3.34Å; E32-L36 PolarHBondContact O-N 3.26Å
33	A	72.5	Confident	72.8	Confident	11 Å²	11	64.9 Å²	64.9	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-73.1	-30.9	179.1	0	0	0	0	0	112.3	I28 S30 S35 L36 A37 V166	I28-A33 HydrophobicContact CB-CB 4.45Å; I28-A33 HydrophobicContact CG2-CB 3.19Å; I28-A33 WeakPolarHBondContact O-CB 3.44Å; S30-A33 PolarHBondContact O-N 3.04Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 2.95Å; A33-L36 PolarHBondContact O-N 2.84Å; A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.07Å; A33-V166 HydrophobicContact CB-CG1 4.35Å
34	G	75.9	Confident	73.3	Confident	36 Å²	36	64.1 Å²	64.1	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-43	169.1	0	0	0	0	0	111.7	S30 E32 S38	S30-G34 PolarHBondContact O-N 3.15Å; E32-G34 VanDerWaalsContact C-N 3.34Å; G34-S38 WeakPolarHBondContact O-CB 3.48Å; G34-S38 PolarHBondContact O-N 2.95Å
35	S	79.1	Confident	73.9	Confident	65 Å²	65	63.7 Å²	63.7	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.9	-176.2	0	0	0	0	112.3	S31 E32 A33 S38 R39	S31-S35 WeakPolarHBondContact O-CB 3.19Å; S31-S35 PolarHBondContact O-N 3.24Å; E32-S35 WeakPolarHBondContact O-CB 3.5Å; E32-S35 PolarHBondContact O-N 3.34Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 2.95Å; S35-S38 PolarHBondContact O-N 3.4Å; S35-R39 PolarHBondContact O-N 3.38Å
36	L	80.9	Confident	74.8	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-61.4	-48.4	176.8	-168.5	70.7	0	0	0	111.6	E32 A33 S38 R39 A40 L159 L162 S163	E32-L36 PolarHBondContact O-N 3.26Å; A33-L36 PolarHBondContact O-N 2.84Å; L36-S38 VanDerWaalsContact C-N 3.34Å; L36-S38 PolarHBondContact O-N 3.13Å; L36-R39 PolarHBondContact O-N 3.17Å; L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 3.09Å; L36-L159 HydrophobicContact CD1-CD2 3.29Å; L36-L159 HydrophobicContact CG-CD2 4.11Å; L36-L162 HydrophobicContact CD1-CB 4.14Å; L36-L162 HydrophobicContact CD1-CD1 4.42Å; L36-L162 HydrophobicContact CD2-CB 4.42Å; L36-S163 WeakPolarHBondContact CD2-OG 3.19Å
37	A	80.6	Confident	76	Confident	17 Å²	17	66.7 Å²	66.7	14%	0.14	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-41	177.8	0	0	0	0	0	111.9	A33 A40 R41 L67	A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.07Å; A37-A40 PolarHBondContact O-N 3.13Å; A37-R41 WeakPolarHBondContact O-CB 3.35Å; A37-R41 PolarHBondContact O-N 3.31Å; A37-L67 HydrophobicContact CB-CD2 4.25Å
38	S	82.2	Confident	77.4	Confident	68 Å²	68	70.7 Å²	70.7	48%	0.476	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174.5	-180	0	0	0	0	111.7	G34 S35 L36 R41 R42	G34-S38 WeakPolarHBondContact O-CB 3.48Å; G34-S38 PolarHBondContact O-N 2.95Å; S35-S38 PolarHBondContact O-N 3.4Å; L36-S38 VanDerWaalsContact C-N 3.34Å; L36-S38 PolarHBondContact O-N 3.13Å; S38-R41 PolarHBondContact O-N 3.05Å; S38-R42 PolarHBondContact O-N 3.4Å; S38-R42 VanDerWaalsContact O-N 3.16Å
39	R	83.3	Confident	79	Confident	128 Å²	128	70 Å²	70	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-44.7	177.2	-168.9	178.6	-59.8	-160.1	1.4	111.9	S35 L36 R41 R42 L43 L159	S35-R39 PolarHBondContact O-N 3.38Å; L36-R39 PolarHBondContact O-N 3.17Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 3.02Å; R39-R42 PolarHBondContact O-N 2.85Å; R39-L43 PolarHBondContact O-N 2.96Å; R39-L159 HydrophobicContact CB-CD2 4.27Å; R39-L159 HydrophobicContact CG-CD2 4.23Å
40	A	85.4	Confident	80.6	Confident	6 Å²	6	66.2 Å²	66.2	5%	0.05	37%	0.372	C	S	.	.	H	α-helix	trans	-57.5	-45.9	174.7	0	0	0	0	0	111.2	L36 A37 R42 L43 A44 F51 F52 L159	L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 3.09Å; A37-A40 PolarHBondContact O-N 3.13Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 2.93Å; A40-L43 PolarHBondContact O-N 3.19Å; A40-L43 VanDerWaalsContact O-N 3.13Å; A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 2.95Å; A40-F51 HydrophobicContact CB-CE1 4.11Å; A40-F52 HydrophobicContact CB-CE1 4.25Å; A40-F52 WeakPolarHBondContact O-CE1 3.42Å; A40-L159 HydrophobicContact CB-CD1 4.11Å
41	R	83.7	Confident	81.8	Confident	133 Å²	133	63.8 Å²	63.8	50%	0.502	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-39	179.2	-169.5	-179.8	-63.2	-178.4	1	113	A37 S38 R39 L43 L67	A37-R41 WeakPolarHBondContact O-CB 3.35Å; A37-R41 PolarHBondContact O-N 3.31Å; S38-R41 PolarHBondContact O-N 3.05Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 3.02Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 PolarHBondContact O-N 2.86Å; R41-L67 PolarHBondContact NH2-O 2.91Å
42	R	85.6	Confident	82.6	Confident	179 Å²	179	59.9 Å²	59.9	68%	0.675	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-32.7	177.5	-74.2	176.3	59.4	-115.8	-3	113.2	S38 R39 A40	S38-R42 PolarHBondContact O-N 3.4Å; S38-R42 VanDerWaalsContact O-N 3.16Å; R39-R42 PolarHBondContact O-N 2.85Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 2.93Å
43	L	84.7	Confident	83.3	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-89.3	-29.2	-177.6	-69.1	169.7	0	0	0	112.6	R39 A40 R41 G45 N46 V47 F52 I155 L159	R39-L43 PolarHBondContact O-N 2.96Å; A40-L43 PolarHBondContact O-N 3.19Å; A40-L43 VanDerWaalsContact O-N 3.13Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 PolarHBondContact O-N 2.86Å; L43-G45 PolarHBondContact O-N 3.4Å; L43-N46 PolarHBondContact O-N 3.04Å; L43-V47 HydrophobicContact CB-CG2 4.26Å; L43-V47 HydrophobicContact CD2-CG2 3.97Å; L43-V47 PolarHBondContact O-N 3.29Å; L43-F52 HydrophobicContact CB-CE2 4.19Å; L43-F52 HydrophobicContact CB-CZ 3.61Å; L43-I155 HydrophobicContact CD1-CB 4.34Å; L43-I155 HydrophobicContact CD1-CG2 3.48Å; L43-I155 VanDerWaalsContact CD1-CG2 3.48Å; L43-L159 HydrophobicContact CD1-CD1 3.7Å
44	A	84.2	Confident	84	Confident	16 Å²	16	55.6 Å²	55.6	13%	0.132	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.5	-177	0	0	0	0	0	114.8	A40 F52 I70	A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 2.95Å; A44-F52 HydrophobicContact CB-CD1 3.51Å; A44-F52 HydrophobicContact CB-CE1 3.63Å; A44-F52 HydrophobicContact CB-CG 4.05Å; A44-F52 HydrophobicContact CB-CZ 4.24Å; A44-I70 HydrophobicContact CB-CD1 4.16Å
45	G	78.9	Confident	84.4	Confident	65 Å²	65	54.6 Å²	54.6	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-23	177.9	0	0	0	0	0	114.7	L43	L43-G45 PolarHBondContact O-N 3.4Å
46	N	80.3	Confident	84.5	Confident	146 Å²	146	55 Å²	55	78%	0.781	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-13.5	-166.1	-62.8	-21	0	0	0	113.6	L43	L43-N46 PolarHBondContact O-N 3.04Å
47	V	83.1	Confident	84.4	Confident	10 Å²	10	55.5 Å²	55.5	6%	0.061	29%	0.293	C	S	.	.			trans	-120.3	123.9	-174.9	-170	0	0	0	0	110	L43 H49 F52 N152 M153	L43-V47 HydrophobicContact CB-CG2 4.26Å; L43-V47 HydrophobicContact CD2-CG2 3.97Å; L43-V47 PolarHBondContact O-N 3.29Å; V47-H49 HydrophobicContact CG1-CB 4.14Å; V47-H49 PolarHBondContact O-N 2.77Å; V47-F52 HydrophobicContact CB-CE2 4.28Å; V47-N152 HydrophobicContact CG1-CB 4.15Å; V47-N152 HydrophobicContact CG2-CB 3.74Å; V47-M153 HydrophobicContact CG1-CE 4.16Å; V47-M153 HydrophobicContact CG1-SD 4.03Å
48	N	84.4	Confident	84.3	Confident	151 Å²	151	54.8 Å²	54.8	81%	0.807	29%	0.287	S	S	*	.			trans	-87.8	71.9	175.7	-172.2	33	0	0	0	111.3	M153	N48-M153 WeakPolarHBondContact O-CE 3.21Å
49	H	89.8	Confident	83.9	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.014	27%	0.269	C	S	.	.			trans	-107.5	138.2	179.4	-170.8	-76.9	0	0	0	111.2	V47 F51 F52 S132 M153 C156 N157	V47-H49 HydrophobicContact CG1-CB 4.14Å; V47-H49 PolarHBondContact O-N 2.77Å; H49-F51 WeakPolarHBondContact ND1-CB 3.4Å; H49-F51 PolarHBondContact ND1-N 2.81Å; H49-F51 PolarHBondContact O-N 3.47Å; H49-F51 VanDerWaalsContact O-N 3.15Å; H49-F52 HydrophobicContact CB-CD2 4.12Å; H49-F52 HydrophobicContact CB-CE2 4.23Å; H49-F52 PolarHBondContact O-N 2.72Å; H49-S132 PolarHBondContact CE1-O 2.9Å; H49-M153 HydrophobicContact CB-SD 4.04Å; H49-M153 PolarHBondContact CD2-SD 2.81Å; H49-C156 HydrophobicContact CB-CB 3.78Å; H49-C156 WeakPolarHBondContact CD2-CB 3.49Å; H49-N157 PolarHBondContact NE2-OD1 3.23Å
50	P	89.5	Confident	83	Confident	40 Å²	40	51.1 Å²	51.1	26%	0.26	26%	0.264	S	S	.	.	H	α-helix	trans	-50.9	-40.6	-179.2	-29.2	35.9	0	0	0	113.7	F52 S53 T54 V134 L352	P50-F52 VanDerWaalsContact C-N 3.26Å; P50-F52 PolarHBondContact O-N 2.78Å; P50-S53 CarbonylContact O-C 3.59Å; P50-S53 WeakPolarHBondContact O-CA 3.46Å; P50-S53 WeakPolarHBondContact O-CB 3.43Å; P50-S53 PolarHBondContact O-N 3.4Å; P50-S53 PolarHBondContact O-OG 3.29Å; P50-T54 PolarHBondContact O-N 2.94Å; P50-T54 PolarHBondContact O-OG1 3.31Å; P50-T54 VanDerWaalsContact O-OG1 3.1Å; P50-V134 HydrophobicContact CG-CG1 3.6Å; P50-L352 HydrophobicContact CB-CD2 3.86Å
51	F	91.1	Very high	81.2	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.022	30%	0.3	C	S	.	.	H	α-helix	trans	-34.6	-51.6	169.6	174.6	-109.7	0	0	0	115	A40 H49 T54 V55 I129 S132 L159 A160	A40-F51 HydrophobicContact CB-CE1 4.11Å; H49-F51 WeakPolarHBondContact ND1-CB 3.4Å; H49-F51 PolarHBondContact ND1-N 2.81Å; H49-F51 PolarHBondContact O-N 3.47Å; H49-F51 VanDerWaalsContact O-N 3.15Å; F51-T54 PolarHBondContact O-N 2.83Å; F51-V55 HydrophobicContact CD2-CG2 3.97Å; F51-V55 HydrophobicContact CE1-CG2 4.39Å; F51-V55 HydrophobicContact CE2-CG2 3.59Å; F51-V55 HydrophobicContact CZ-CG2 3.84Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.29Å; F51-V55 WeakPolarHBondContact O-CG2 3.47Å; F51-V55 PolarHBondContact O-N 3.14Å; F51-I129 HydrophobicContact CD2-CG2 3.98Å; F51-I129 HydrophobicContact CE2-CG2 3.78Å; F51-S132 WeakPolarHBondContact CA-OG 3.38Å; F51-L159 HydrophobicContact CE1-CB 4.17Å; F51-L159 HydrophobicContact CE1-CD1 4.48Å; F51-L159 HydrophobicContact CZ-CB 4.25Å; F51-A160 HydrophobicContact CB-CB 4.28Å; F51-A160 HydrophobicContact CD2-CB 3.57Å; F51-A160 HydrophobicContact CE2-CB 4.22Å; F51-A160 HydrophobicContact CG-CB 4.15Å
52	F	90	Very high	79.6	Confident	11 Å²	11	52.6 Å²	52.6	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-71.2	-34.4	-177.4	-62.6	-63	0	0	0	112.6	A40 L43 A44 V47 H49 P50 R56	A40-F52 HydrophobicContact CB-CE1 4.25Å; A40-F52 WeakPolarHBondContact O-CE1 3.42Å; L43-F52 HydrophobicContact CB-CE2 4.19Å; L43-F52 HydrophobicContact CB-CZ 3.61Å; A44-F52 HydrophobicContact CB-CD1 3.51Å; A44-F52 HydrophobicContact CB-CE1 3.63Å; A44-F52 HydrophobicContact CB-CG 4.05Å; A44-F52 HydrophobicContact CB-CZ 4.24Å; V47-F52 HydrophobicContact CB-CE2 4.28Å; H49-F52 HydrophobicContact CB-CD2 4.12Å; H49-F52 HydrophobicContact CB-CE2 4.23Å; H49-F52 PolarHBondContact O-N 2.72Å; P50-F52 VanDerWaalsContact C-N 3.26Å; P50-F52 PolarHBondContact O-N 2.78Å; F52-R56 VanDerWaalsContact O-CB 3.25Å; F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 2.91Å; F52-R56 PolarHBondContact O-NH1 2.62Å
53	S	83.3	Confident	77.1	Confident	40 Å²	40	55.3 Å²	55.3	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-39.2	174.7	75	0	0	0	0	111.3	P50 R56 S57	P50-S53 CarbonylContact O-C 3.59Å; P50-S53 WeakPolarHBondContact O-CA 3.46Å; P50-S53 WeakPolarHBondContact O-CB 3.43Å; P50-S53 PolarHBondContact O-N 3.4Å; P50-S53 PolarHBondContact O-OG 3.29Å; S53-R56 PolarHBondContact O-N 2.94Å; S53-S57 WeakPolarHBondContact O-CB 3.44Å; S53-S57 PolarHBondContact O-N 3.21Å; S53-S57 PolarHBondContact O-OG 3.32Å
54	T	87.2	Confident	74.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-53.1	176.5	-53.5	0	0	0	0	111.5	P50 F51 R56 S57 C58 A128 S132 Y350 L352	P50-T54 PolarHBondContact O-N 2.94Å; P50-T54 PolarHBondContact O-OG1 3.31Å; P50-T54 VanDerWaalsContact O-OG1 3.1Å; F51-T54 PolarHBondContact O-N 2.83Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.47Å; T54-S57 PolarHBondContact O-N 2.79Å; T54-C58 PolarHBondContact O-N 2.9Å; T54-C58 PolarHBondContact O-SG 3.4Å; T54-A128 HydrophobicContact CG2-CB 3.96Å; T54-A128 WeakPolarHBondContact CG2-O 3.14Å; T54-S132 WeakPolarHBondContact OG1-CB 3.48Å; T54-Y350 VanDerWaalsContact CA-O 3.22Å; T54-Y350 WeakPolarHBondContact CA-O 3.28Å; T54-Y350 PolarHBondContact OG1-O 2.69Å; T54-L352 HydrophobicContact CG2-CD1 4.33Å
55	V	86.2	Confident	72.2	Confident	15 Å²	15	63 Å²	63	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-55.6	-45.1	175.8	170.5	0	0	0	0	110.5	F51 S57 C58 L59 I129	F51-V55 HydrophobicContact CD2-CG2 3.97Å; F51-V55 HydrophobicContact CE1-CG2 4.39Å; F51-V55 HydrophobicContact CE2-CG2 3.59Å; F51-V55 HydrophobicContact CZ-CG2 3.84Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.29Å; F51-V55 WeakPolarHBondContact O-CG2 3.47Å; F51-V55 PolarHBondContact O-N 3.14Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.89Å; V55-C58 PolarHBondContact O-N 2.93Å; V55-L59 HydrophobicContact CG1-CD1 3.8Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CB 3.48Å; V55-L59 WeakPolarHBondContact O-CG 3.39Å; V55-L59 PolarHBondContact O-N 3.36Å; V55-L59 VanDerWaalsContact O-N 3.09Å; V55-I129 HydrophobicContact CG2-CD1 3.9Å; V55-I129 HydrophobicContact CG2-CG1 3.9Å
56	R	80.4	Confident	70	Confident	73 Å²	73	66.7 Å²	66.7	28%	0.275	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-39.3	177.6	-171.5	-178.8	-63.7	99.6	-4	112.1	F52 S53 T54 L59 R60	F52-R56 VanDerWaalsContact O-CB 3.25Å; F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 2.91Å; F52-R56 PolarHBondContact O-NH1 2.62Å; S53-R56 PolarHBondContact O-N 2.94Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.47Å; R56-L59 PolarHBondContact O-N 3.35Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3.41Å
57	S	78.5	Confident	68	Low	38 Å²	38	62.1 Å²	62.1	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-67.9	-43.8	179.8	-60.1	0	0	0	0	111.7	S53 T54 V55 L59 R60	S53-S57 WeakPolarHBondContact O-CB 3.44Å; S53-S57 PolarHBondContact O-N 3.21Å; S53-S57 PolarHBondContact O-OG 3.32Å; T54-S57 PolarHBondContact O-N 2.79Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-S57 PolarHBondContact O-N 2.89Å; S57-L59 PolarHBondContact O-N 2.96Å; S57-R60 PolarHBondContact O-N 3.38Å
58	C	79.5	Confident	66	Low	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.335	C	S	.	.	H	α-helix	trans	-56.6	-39	172.9	-68.9	0	0	0	0	111.8	Y22 T54 V55 T125 Y350	Y22-C58 WeakPolarHBondContact CE1-O 3.37Å; Y22-C58 WeakPolarHBondContact OH-CA 3.21Å; Y22-C58 VanDerWaalsContact OH-CB 3.29Å; Y22-C58 WeakPolarHBondContact OH-CB 3.38Å; Y22-C58 PolarHBondContact OH-O 2.99Å; T54-C58 PolarHBondContact O-N 2.9Å; T54-C58 PolarHBondContact O-SG 3.4Å; V55-C58 PolarHBondContact O-N 2.93Å; C58-T125 HydrophobicContact CB-CG2 3.9Å; C58-Y350 HydrophobicContact CB-CD1 4.38Å; C58-Y350 WeakPolarHBondContact SG-CD1 3.44Å
59	L	73.2	Confident	63.7	Low	21 Å²	21	62.7 Å²	62.7	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-89.4	-10.8	-177.3	-60.3	177.4	0	0	0	114.6	Y22 V55 R56 S57 V64 F68	Y22-L59 HydrophobicContact CD1-CD2 4.41Å; Y22-L59 HydrophobicContact CE1-CD2 3.9Å; V55-L59 HydrophobicContact CG1-CD1 3.8Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CB 3.48Å; V55-L59 WeakPolarHBondContact O-CG 3.39Å; V55-L59 PolarHBondContact O-N 3.36Å; V55-L59 VanDerWaalsContact O-N 3.09Å; R56-L59 PolarHBondContact O-N 3.35Å; S57-L59 PolarHBondContact O-N 2.96Å; L59-V64 HydrophobicContact CB-CG2 4.27Å; L59-V64 HydrophobicContact CD2-CG1 3.91Å; L59-F68 HydrophobicContact CD1-CB 4.19Å; L59-F68 HydrophobicContact CD1-CD2 3.27Å; L59-F68 HydrophobicContact CD1-CE2 3.81Å; L59-F68 HydrophobicContact CD1-CG 3.93Å
60	R	63.2	Low	61.4	Low	97 Å²	97	64.4 Å²	64.4	37%	0.366	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	134.5	-173.6	-136.2	176	-179.7	173.8	-3.3	110.4	R56 S57 R62 S75 S79	R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3.41Å; S57-R60 PolarHBondContact O-N 3.38Å; R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.09Å; R60-S75 VanDerWaalsContact NH2-CB 3.27Å; R60-S75 PolarHBondContact NH2-O 2.93Å; R60-S75 PolarHBondContact NH2-OG 3.21Å; R60-S79 PolarHBondContact NH1-OG 3.29Å
61	G	48.5	Very low	58.8	Low	79 Å²	79	66.9 Å²	66.9	81%	0.814	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	6.4	174.9	0	0	0	0	0	115.5
62	R	49.2	Very low	56.4	Low	92 Å²	92	71.4 Å²	71.4	35%	0.347	39%	0.394	S	S	.	.	S	Bend	trans	-123.9	132.8	178	-61	-178.4	-178.1	169.1	-0.6	107.8	R60 V64 S88 E121	R60-R62 VanDerWaalsContact C-N 3.31Å; R60-R62 PolarHBondContact O-N 3.09Å; R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 2.94Å; R62-S88 VanDerWaalsContact NH2-CB 3.3Å; R62-E121 IonicContact CZ-OE2 3.28Å; R62-E121 IonicContact NH1-OE1 3.61Å; R62-E121 IonicContact NH1-OE2 3.54Å; R62-E121 PolarHBondContact NH1-OE2 2.66Å
63	Y	34.1	Very low	53.7	Low	235 Å²	235	74.9 Å²	74.9	92%	0.922	43%	0.425	S	S	*	.			trans	-61.1	85.3	-176.6	-88.7	-94	0	0	0	110.9	N65	Y63-N65 PolarHBondContact O-N 3.39Å
64	V	33.3	Very low	51.5	Low	61 Å²	61	80.3 Å²	80.3	37%	0.37	45%	0.449	S	S	.	.			trans	-85.1	103.7	162.4	-98.5	0	0	0	0	107.8	L59 R62 N66	L59-V64 HydrophobicContact CB-CG2 4.27Å; L59-V64 HydrophobicContact CD2-CG1 3.91Å; R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 2.94Å; V64-N66 PolarHBondContact O-N 3.04Å
65	N	31.8	Very low	49.1	Very low	139 Å²	139	81.4 Å²	81.4	74%	0.743	46%	0.457	S	S	*	.			trans	-58.5	105.8	162.3	-69.3	-26	0	0	0	108.5	Y63 L67	Y63-N65 PolarHBondContact O-N 3.39Å; N65-L67 PolarHBondContact O-N 3.13Å
66	N	33	Very low	46.6	Very low	142 Å²	142	87.8 Å²	87.8	76%	0.759	49%	0.49	S	S	*	.	S	Bend	trans	66	17.6	150.2	-76.7	-10.7	0	0	0	122.7	V64	V64-N66 PolarHBondContact O-N 3.04Å
67	L	38.1	Very low	44.3	Very low	49 Å²	49	94.6 Å²	94.6	26%	0.257	52%	0.516	S	S	.	.	S	Bend	trans	-100.8	-23.8	176.1	-96.5	129.8	0	0	0	116.7	L25 A37 R41 N65	L25-L67 HydrophobicContact CD1-CD1 3.79Å; A37-L67 HydrophobicContact CB-CD2 4.25Å; R41-L67 PolarHBondContact NH2-O 2.91Å; N65-L67 PolarHBondContact O-N 3.13Å
68	F	40.6	Very low	42.2	Very low	59 Å²	59	102.2 Å²	102.2	26%	0.259	54%	0.544	S	S	.	.			trans	-141.9	55.4	-177.5	-58.3	-81.1	0	0	0	112.8	L59 I70	L59-F68 HydrophobicContact CD1-CB 4.19Å; L59-F68 HydrophobicContact CD1-CD2 3.27Å; L59-F68 HydrophobicContact CD1-CE2 3.81Å; L59-F68 HydrophobicContact CD1-CG 3.93Å; F68-I70 HydrophobicContact CB-CD1 4.24Å; F68-I70 HydrophobicContact CB-CG1 4.22Å; F68-I70 HydrophobicContact CD1-CD1 4.33Å; F68-I70 PolarHBondContact O-N 2.98Å
69	S	37.8	Very low	40.1	Very low	114 Å²	114	104 Å²	104	80%	0.797	56%	0.557	S	S	*	*			trans	-64.8	67.8	159.9	-68.5	0	0	0	0	109.6	S71	S69-S71 PolarHBondContact O-N 3.31Å
70	I	41.6	Very low	38.2	Very low	40 Å²	40	112.6 Å²	112.6	21%	0.205	59%	0.594	C	S	.	*			trans	-84.4	107.5	169.6	-50.6	165.8	0	0	0	104.7	A44 F68 S72	A44-I70 HydrophobicContact CB-CD1 4.16Å; F68-I70 HydrophobicContact CB-CD1 4.24Å; F68-I70 HydrophobicContact CB-CG1 4.22Å; F68-I70 HydrophobicContact CD1-CD1 4.33Å; F68-I70 PolarHBondContact O-N 2.98Å; I70-S72 PolarHBondContact O-N 3.18Å
71	S	35.1	Very low	37	Very low	91 Å²	91	111.5 Å²	111.5	64%	0.636	60%	0.601	S	S	*	*			trans	-29.7	128.8	-177.3	177.2	0	0	0	0	114	S69 A73	S69-S71 PolarHBondContact O-N 3.31Å; S71-A73 PolarHBondContact O-N 3.11Å
72	S	39.6	Very low	36.6	Very low	101 Å²	101	111 Å²	111	71%	0.706	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-58.5	-0.7	178	-175.2	0	0	0	0	115.2	I70 I74 S75	I70-S72 PolarHBondContact O-N 3.18Å; S72-I74 PolarHBondContact O-N 3.47Å; S72-S75 PolarHBondContact O-OG 2.84Å
73	A	33.3	Very low	36.3	Very low	84 Å²	84	111.8 Å²	111.8	69%	0.694	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-82.7	-7.7	-160.8	0	0	0	0	0	116.5	S71	S71-A73 PolarHBondContact O-N 3.11Å
74	I	37.2	Very low	37.2	Very low	154 Å²	154	102.4 Å²	102.4	79%	0.79	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-119.8	8.9	178.2	-43.1	178.8	0	0	0	111.1	S72 D76	S72-I74 PolarHBondContact O-N 3.47Å; I74-D76 VanDerWaalsContact C-N 3.32Å; I74-D76 PolarHBondContact O-N 2.78Å
75	S	37.3	Very low	39	Very low	23 Å²	23	105 Å²	105	16%	0.161	57%	0.574	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	2.8	-165.2	91.2	0	0	0	0	116.2	R60 S72 S79	R60-S75 VanDerWaalsContact NH2-CB 3.27Å; R60-S75 PolarHBondContact NH2-O 2.93Å; R60-S75 PolarHBondContact NH2-OG 3.21Å; S72-S75 PolarHBondContact O-OG 2.84Å; S75-S79 PolarHBondContact O-OG 3.21Å
76	D	32.7	Very low	41.6	Very low	148 Å²	148	99.7 Å²	99.7	79%	0.791	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-4	-165.2	-99	1.3	0	0	0	116.3	I74	I74-D76 VanDerWaalsContact C-N 3.32Å; I74-D76 PolarHBondContact O-N 2.78Å
77	R	32.4	Very low	44.3	Very low	217 Å²	217	93.5 Å²	93.5	82%	0.819	51%	0.511	S	S	*	.	S	Bend	trans	-103	-18.1	-173.7	-76.5	-163.3	-83.5	-144.3	-1.7	117.1
78	F	34.1	Very low	46.7	Very low	197 Å²	197	92.1 Å²	92.1	86%	0.864	51%	0.506	S	S	*	.	S	Bend	trans	-133.6	4.7	-178.8	-75	-79	0	0	0	114.8
79	S	35.1	Very low	49.2	Very low	42 Å²	42	90 Å²	90	29%	0.294	50%	0.5	S	S	.	.			trans	-135.9	55.1	-180	35.1	0	0	0	0	113.1	R60 S75 S81	R60-S79 PolarHBondContact NH1-OG 3.29Å; S75-S79 PolarHBondContact O-OG 3.21Å; S79-S81 PolarHBondContact O-N 3.44Å; S79-S81 VanDerWaalsContact O-N 3.1Å
80	K	35	Very low	51.8	Low	200 Å²	200	84.5 Å²	84.5	87%	0.87	46%	0.462	S	S	*	.			trans	-70.5	41.2	135	-94.6	-176.1	178.2	175	0	110	V82	K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 3.02Å; K80-V82 VanDerWaalsContact O-N 3.07Å
81	S	37.9	Very low	54.3	Low	75 Å²	75	82.8 Å²	82.8	52%	0.524	45%	0.453	S	S	.	.			trans	-69.7	104.8	154.9	174.1	0	0	0	0	102.5	S79 T83	S79-S81 PolarHBondContact O-N 3.44Å; S79-S81 VanDerWaalsContact O-N 3.1Å; S81-T83 PolarHBondContact O-N 3.4Å
82	V	39.1	Very low	57.2	Low	68 Å²	68	78.4 Å²	78.4	41%	0.412	42%	0.423	S	S	.	.			trans	-37.9	113.2	169.1	172.7	0	0	0	0	105.4	K80 S84	K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 3.02Å; K80-V82 VanDerWaalsContact O-N 3.07Å; V82-S84 PolarHBondContact O-N 2.92Å
83	T	42.9	Very low	59.9	Low	108 Å²	108	73.6 Å²	73.6	66%	0.663	39%	0.389	S	S	*	.			trans	-57	98.6	163.9	47	0	0	0	0	103.3	S81 E85	S81-T83 PolarHBondContact O-N 3.4Å; T83-E85 PolarHBondContact O-N 3.46Å
84	S	53.6	Low	62.9	Low	39 Å²	39	69.7 Å²	69.7	27%	0.273	36%	0.356	S	S	.	.			trans	-52.7	112.3	-176.3	-168.9	0	0	0	0	103.8	V82 R86 E305	V82-S84 PolarHBondContact O-N 2.92Å; S84-R86 PolarHBondContact O-N 3.33Å; S84-R86 WeakPolarHBondContact OG-CB 3.36Å; S84-R86 VanDerWaalsContact OG-CD 3.26Å; S84-R86 WeakPolarHBondContact OG-CD 3.46Å; S84-R86 WeakPolarHBondContact OG-CG 3.36Å; S84-E305 WeakPolarHBondContact CB-OE1 3.28Å; S84-E305 PolarHBondContact OG-OE1 2.84Å
85	E	71.2	Confident	65.6	Low	115 Å²	115	62.4 Å²	62.4	54%	0.537	32%	0.319	S	S	.	.			trans	-61.4	-5	179.7	-65.1	-168.8	161.4	0	0	110.3	W5 I9 T83	W5-E85 HydrophobicContact CB-CB 3.79Å; W5-E85 WeakPolarHBondContact CB-O 3.49Å; W5-E85 HydrophobicContact CG-CB 4.35Å; I9-E85 WeakPolarHBondContact CD1-O 3.5Å; T83-E85 PolarHBondContact O-N 3.46Å
86	R	85.9	Confident	68.4	Low	27 Å²	27	61.3 Å²	61.3	10%	0.102	31%	0.311	C	S	.	.	S	Bend	trans	-67.4	151	-176.8	-59.4	-175.5	168.4	98.2	9.6	112.7	W5 S84 I301 E308 D445	W5-R86 HydrophobicContact CD2-CG 4.44Å; W5-R86 HydrophobicContact CZ2-CG 4.34Å; S84-R86 PolarHBondContact O-N 3.33Å; S84-R86 WeakPolarHBondContact OG-CB 3.36Å; S84-R86 VanDerWaalsContact OG-CD 3.26Å; S84-R86 WeakPolarHBondContact OG-CD 3.46Å; S84-R86 WeakPolarHBondContact OG-CG 3.36Å; R86-I301 HydrophobicContact CB-CD1 4.41Å; R86-I301 HydrophobicContact CG-CD1 4.44Å; R86-E308 IonicContact CZ-OE1 3.22Å; R86-E308 IonicContact NH1-OE1 3.13Å; R86-E308 PolarHBondContact NH1-OE1 3.07Å; R86-E308 IonicContact NH1-OE2 3.39Å; R86-E308 PolarHBondContact NH1-OE2 3.42Å; R86-E308 IonicContact NH2-OE1 2.7Å; R86-E308 PolarHBondContact NH2-OE1 3.14Å; R86-E308 IonicContact NH2-OE2 3.42Å; R86-D445 IonicContact CZ-OD2 2.98Å; R86-D445 IonicContact NE-OD2 3.17Å; R86-D445 IonicContact NH2-OD2 3.21Å; R86-D445 PolarHBondContact NH2-OD2 2.67Å; R86-D445 VanDerWaalsContact NH2-OD2 3.08Å
87	P	89.7	Confident	71.2	Confident	12 Å²	12	54.2 Å²	54.2	8%	0.078	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-66.3	148.4	-179.2	28.8	-37.4	0	0	0	111.2	W5 I9 L91 I92 W297 M438	W5-P87 HydrophobicContact CE3-CG 4.23Å; W5-P87 HydrophobicContact CH2-CG 4.38Å; W5-P87 HydrophobicContact CZ3-CG 3.78Å; I9-P87 HydrophobicContact CD1-CB 4.41Å; I9-P87 HydrophobicContact CG1-CB 4.13Å; P87-L91 HydrophobicContact CB-CB 4.38Å; P87-L91 HydrophobicContact CB-CD2 3.7Å; P87-I92 HydrophobicContact CB-CD1 4.13Å; P87-I92 HydrophobicContact CG-CD1 3.78Å; P87-I92 HydrophobicContact CG-CG1 4.35Å; P87-W297 HydrophobicContact CG-CZ2 3.79Å; P87-M438 HydrophobicContact CB-SD 4.45Å; P87-M438 HydrophobicContact CG-SD 4.31Å
88	S	89.4	Confident	73.9	Confident	21 Å²	21	45.9 Å²	45.9	15%	0.147	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.1	171.2	79.5	0	0	0	0	110.8	R62 G90 L91 I92 E121	R62-S88 VanDerWaalsContact NH2-CB 3.3Å; S88-G90 PolarHBondContact O-N 3.18Å; S88-L91 WeakPolarHBondContact O-CB 3.35Å; S88-L91 PolarHBondContact O-N 2.95Å; S88-L91 PolarHBondContact OG-N 2.99Å; S88-I92 PolarHBondContact O-N 3.03Å; S88-E121 VanDerWaalsContact CB-OE1 3.26Å; S88-E121 WeakPolarHBondContact CB-OE1 3.49Å; S88-E121 PolarHBondContact OG-OE1 3.05Å
89	G	92	Very high	76.4	Confident	13 Å²	13	36.7 Å²	36.7	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-35.5	174.6	0	0	0	0	0	111.7	L91 I92 I93 F120	G89-L91 VanDerWaalsContact C-N 3.33Å; G89-L91 PolarHBondContact O-N 3.42Å; G89-I92 PolarHBondContact O-N 3.22Å; G89-I92 VanDerWaalsContact O-N 3.16Å; G89-I93 WeakPolarHBondContact O-CD1 3.35Å; G89-I93 WeakPolarHBondContact O-CG1 3.4Å; G89-I93 PolarHBondContact O-N 2.93Å; G89-F120 VanDerWaalsContact CA-CE1 3.49Å
90	G	93.2	Very high	78.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-42.4	171.7	0	0	0	0	0	114.1	S20 S88 I92 I93 L94 S117 E121	S20-G90 VanDerWaalsContact OG-C 3.25Å; S20-G90 WeakPolarHBondContact OG-CA 3.39Å; S88-G90 PolarHBondContact O-N 3.18Å; G90-I92 VanDerWaalsContact C-N 3.33Å; G90-I92 PolarHBondContact O-N 3.2Å; G90-I93 PolarHBondContact O-N 2.83Å; G90-L94 WeakPolarHBondContact O-CG 2.96Å; G90-L94 PolarHBondContact O-N 2.94Å; G90-S117 VanDerWaalsContact C-OG 3.27Å; G90-S117 WeakPolarHBondContact CA-OG 3.39Å; G90-S117 PolarHBondContact O-OG 2.93Å; G90-E121 PolarHBondContact N-OE1 3.34Å
91	L	93.6	Very high	80.6	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-39.3	177.6	-168.6	70.6	0	0	0	111.9	I9 A12 E13 L16 S20 P87 S88 G89 L94 L95 M438	I9-L91 HydrophobicContact CB-CD2 4.48Å; I9-L91 HydrophobicContact CG1-CD2 4.19Å; I9-L91 HydrophobicContact CG2-CD2 4.22Å; A12-L91 HydrophobicContact CB-CD1 4.03Å; A12-L91 HydrophobicContact CB-CD2 3.92Å; A12-L91 HydrophobicContact CB-CG 4.18Å; E13-L91 HydrophobicContact CG-CD1 4.32Å; L16-L91 HydrophobicContact CD1-CD1 3.54Å; S20-L91 PolarHBondContact OG-N 3.37Å; P87-L91 HydrophobicContact CB-CB 4.38Å; P87-L91 HydrophobicContact CB-CD2 3.7Å; S88-L91 WeakPolarHBondContact O-CB 3.35Å; S88-L91 PolarHBondContact O-N 2.95Å; S88-L91 PolarHBondContact OG-N 2.99Å; G89-L91 VanDerWaalsContact C-N 3.33Å; G89-L91 PolarHBondContact O-N 3.42Å; L91-L94 PolarHBondContact O-N 2.74Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.07Å; L91-M438 HydrophobicContact CD2-CE 4.03Å
92	I	96.1	Very high	81.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-45.4	176.9	-58.5	-55.6	0	0	0	110.7	P87 S88 G89 G90 L94 L95 V96 F293 W297 L435 M438	P87-I92 HydrophobicContact CB-CD1 4.13Å; P87-I92 HydrophobicContact CG-CD1 3.78Å; P87-I92 HydrophobicContact CG-CG1 4.35Å; S88-I92 PolarHBondContact O-N 3.03Å; G89-I92 PolarHBondContact O-N 3.22Å; G89-I92 VanDerWaalsContact O-N 3.16Å; G90-I92 VanDerWaalsContact C-N 3.33Å; G90-I92 PolarHBondContact O-N 3.2Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 3.09Å; I92-L95 PolarHBondContact O-N 3.12Å; I92-V96 HydrophobicContact CG2-CG2 4.34Å; I92-V96 WeakPolarHBondContact O-CG2 3.03Å; I92-V96 PolarHBondContact O-N 3.07Å; I92-F293 HydrophobicContact CG2-CE1 4.04Å; I92-W297 HydrophobicContact CD1-CD2 4.4Å; I92-W297 HydrophobicContact CD1-CH2 3.9Å; I92-W297 HydrophobicContact CD1-CZ2 3.52Å; I92-W297 HydrophobicContact CD1-CZ3 4.43Å; I92-W297 HydrophobicContact CG1-CD2 4.39Å; I92-W297 HydrophobicContact CG1-CZ2 4.02Å; I92-W297 HydrophobicContact CG2-CD2 4.47Å; I92-L435 HydrophobicContact CD1-CD1 4.45Å; I92-L435 HydrophobicContact CG2-CD1 4.46Å; I92-M438 HydrophobicContact CD1-SD 4.07Å
93	I	96.6	Very high	82.5	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.3	-43.9	176	-67.6	157.8	0	0	0	111	G89 G90 V96 G97 I116 F120 L253 C256 A260	G89-I93 WeakPolarHBondContact O-CD1 3.35Å; G89-I93 WeakPolarHBondContact O-CG1 3.4Å; G89-I93 PolarHBondContact O-N 2.93Å; G90-I93 PolarHBondContact O-N 2.83Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-G97 PolarHBondContact O-N 3.01Å; I93-I116 HydrophobicContact CG2-CB 4.41Å; I93-I116 HydrophobicContact CG2-CG2 3.8Å; I93-F120 HydrophobicContact CD1-CB 3.47Å; I93-F120 VanDerWaalsContact CD1-CB 3.47Å; I93-F120 HydrophobicContact CD1-CD1 3.97Å; I93-F120 HydrophobicContact CD1-CD2 3.75Å; I93-F120 HydrophobicContact CD1-CG 3.43Å; I93-F120 VanDerWaalsContact CD1-CG 3.43Å; I93-L253 HydrophobicContact CD1-CD1 3.84Å; I93-L253 HydrophobicContact CG1-CD1 3.7Å; I93-C256 HydrophobicContact CD1-CB 3.39Å; I93-C256 HydrophobicContact CG1-CB 3.79Å; I93-C256 HydrophobicContact CG2-CB 4.45Å; I93-A260 HydrophobicContact CG2-CB 4.14Å
94	L	95	Very high	83.5	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-45	177.9	-70.5	177.4	0	0	0	112.3	L16 G90 L91 I92 G97 Q98 H113 R114	L16-L94 HydrophobicContact CD1-CB 3.64Å; L16-L94 HydrophobicContact CD1-CD1 3.97Å; L16-L94 HydrophobicContact CD1-CG 4.46Å; L16-L94 HydrophobicContact CD2-CB 3.99Å; L16-L94 HydrophobicContact CG-CB 4.45Å; G90-L94 WeakPolarHBondContact O-CG 2.96Å; G90-L94 PolarHBondContact O-N 2.94Å; L91-L94 PolarHBondContact O-N 2.74Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 3.09Å; L94-G97 PolarHBondContact O-N 3.46Å; L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 VanDerWaalsContact O-CG 3.3Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 3.2Å; L94-H113 VanDerWaalsContact CD2-C 3.5Å; L94-H113 HydrophobicContact CD2-CB 3.84Å; L94-H113 WeakPolarHBondContact CD2-O 3.46Å; L94-R114 HydrophobicContact CD1-CG 4.49Å; L94-R114 HydrophobicContact CD2-CB 4.49Å; L94-R114 HydrophobicContact CD2-CG 3.88Å
95	L	94.7	Very high	84.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-41.1	178.6	-70.6	173.2	0	0	0	112	A12 L15 L16 L91 I92 Q98 S99 L434 L435 M438	A12-L95 HydrophobicContact CB-CD1 4.18Å; A12-L95 HydrophobicContact CB-CD2 4.26Å; L15-L95 HydrophobicContact CD2-CD2 4.4Å; L16-L95 HydrophobicContact CD1-CD2 4.19Å; L16-L95 HydrophobicContact CD1-CG 4.35Å; L16-L95 HydrophobicContact CG-CD2 4.44Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.07Å; I92-L95 PolarHBondContact O-N 3.12Å; L95-Q98 PolarHBondContact O-N 3.44Å; L95-S99 PolarHBondContact O-N 3.16Å; L95-S99 PolarHBondContact O-OG 2.98Å; L95-L434 HydrophobicContact CD2-CD2 4.32Å; L95-L435 HydrophobicContact CB-CB 4.49Å; L95-L435 HydrophobicContact CB-CD1 4.23Å; L95-L435 HydrophobicContact CD1-CD1 4.39Å; L95-M438 HydrophobicContact CD1-CE 4.03Å; L95-M438 HydrophobicContact CD1-SD 3.56Å; L95-M438 VanDerWaalsContact CD1-SD 3.56Å
96	V	95.1	Very high	84.5	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-48	174.4	173.1	0	0	0	0	110.4	I92 I93 Q98 S99 C257 L261 A290 F293 M403 L435	I92-V96 HydrophobicContact CG2-CG2 4.34Å; I92-V96 WeakPolarHBondContact O-CG2 3.03Å; I92-V96 PolarHBondContact O-N 3.07Å; I93-V96 PolarHBondContact O-N 2.89Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.35Å; V96-S99 VanDerWaalsContact O-CB 3.32Å; V96-S99 WeakPolarHBondContact O-CB 3.3Å; V96-S99 PolarHBondContact O-N 2.93Å; V96-C257 HydrophobicContact CG1-CB 4.1Å; V96-C257 HydrophobicContact CG2-CB 4.49Å; V96-L261 HydrophobicContact CG1-CD2 4.22Å; V96-L261 HydrophobicContact CG1-CG 4.26Å; V96-A290 HydrophobicContact CG1-CB 4.14Å; V96-F293 HydrophobicContact CG2-CD1 4.02Å; V96-F293 HydrophobicContact CG2-CE1 3.9Å; V96-M403 HydrophobicContact CB-CE 4.48Å; V96-M403 HydrophobicContact CG1-CE 3.97Å; V96-M403 HydrophobicContact CG2-CE 4.17Å; V96-L435 HydrophobicContact CG2-CD2 3.95Å
97	G	92.7	Very high	84.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-40.1	176.9	0	0	0	0	0	113.3	I93 L94 S99 H113	I93-G97 PolarHBondContact O-N 3.01Å; L94-G97 PolarHBondContact O-N 3.46Å; G97-S99 VanDerWaalsContact C-N 3.29Å; G97-S99 PolarHBondContact O-N 3.48Å; G97-H113 PolarHBondContact O-CE1 3.1Å
98	Q	88.1	Confident	84.5	Confident	42 Å²	42	30.5 Å²	30.5	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-75.2	-16.9	179.6	-70.6	-58.9	-49.6	0	0	114.1	L16 L94 L95 V96 Y100 A101 H113	L16-Q98 HydrophobicContact CD2-CB 4.38Å; L16-Q98 HydrophobicContact CD2-CG 3.58Å; L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 VanDerWaalsContact O-CG 3.3Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 3.2Å; L95-Q98 PolarHBondContact O-N 3.44Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.35Å; Q98-Y100 PolarHBondContact O-N 2.64Å; Q98-Y100 VanDerWaalsContact O-N 3.14Å; Q98-A101 PolarHBondContact O-N 3.39Å; Q98-H113 PolarHBondContact NE2-ND1 2.84Å; Q98-H113 VanDerWaalsContact NE2-ND1 3.12Å
99	S	87.3	Confident	84.6	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.028	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.4	-178.5	-66.1	0	0	0	0	112.6	L95 V96 G97 S429	L95-S99 PolarHBondContact O-N 3.16Å; L95-S99 PolarHBondContact O-OG 2.98Å; V96-S99 VanDerWaalsContact O-CB 3.32Å; V96-S99 WeakPolarHBondContact O-CB 3.3Å; V96-S99 PolarHBondContact O-N 2.93Å; G97-S99 VanDerWaalsContact C-N 3.29Å; G97-S99 PolarHBondContact O-N 3.48Å; S99-S429 WeakPolarHBondContact CA-OG 3.28Å; S99-S429 PolarHBondContact O-OG 3.44Å
100	Y	81.5	Confident	84.6	Confident	9 Å²	9	30.7 Å²	30.7	4%	0.035	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	4.1	-176.6	-55.8	-90.7	0	0	0	113.9	Q98 L261 F286 M403 N406 A407	Q98-Y100 PolarHBondContact O-N 2.64Å; Q98-Y100 VanDerWaalsContact O-N 3.14Å; Y100-L261 HydrophobicContact CD2-CD1 4.31Å; Y100-L261 HydrophobicContact CD2-CD2 3.34Å; Y100-L261 HydrophobicContact CD2-CG 4.5Å; Y100-L261 HydrophobicContact CE2-CD1 3.92Å; Y100-L261 HydrophobicContact CE2-CD2 3.72Å; Y100-L261 HydrophobicContact CG-CD2 4.29Å; Y100-F286 HydrophobicContact CD1-CD2 4.05Å; Y100-F286 AromaticContact CD1-CE2 3.88Å; Y100-F286 HydrophobicContact CD1-CE2 3.88Å; Y100-F286 AromaticContact CE1-CD2 3.59Å; Y100-F286 HydrophobicContact CE1-CD2 3.59Å; Y100-F286 AromaticContact CE1-CE2 3.48Å; Y100-F286 HydrophobicContact CE1-CE2 3.48Å; Y100-F286 VanDerWaalsContact CE1-CE2 3.48Å; Y100-M403 HydrophobicContact CE2-CE 4.35Å; Y100-M403 WeakPolarHBondContact OH-CA 3.49Å; Y100-M403 PolarHBondContact OH-O 3.22Å; Y100-N406 HydrophobicContact CE1-CB 4.13Å; Y100-A407 HydrophobicContact CD1-CB 4.24Å; Y100-A407 HydrophobicContact CE1-CB 3.89Å
101	A	76.2	Confident	84.6	Confident	3 Å²	3	33.7 Å²	33.7	3%	0.025	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-13.3	-173.9	0	0	0	0	0	114.3	Q98 T104 L109 T264	Q98-A101 PolarHBondContact O-N 3.39Å; A101-T104 WeakPolarHBondContact O-CB 3.33Å; A101-T104 PolarHBondContact O-N 3.43Å; A101-T104 PolarHBondContact O-OG1 3.48Å; A101-L109 HydrophobicContact CB-CD2 3.65Å; A101-T264 HydrophobicContact CB-CG2 4.37Å
102	S	61.3	Low	84.6	Confident	48 Å²	48	34.9 Å²	34.9	34%	0.336	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	82	-169.1	-155	0	0	0	0	110.5
103	P	57	Low	84.6	Confident	38 Å²	38	34.9 Å²	34.9	25%	0.247	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn		-136.2	9.8	87.9	44.8	-37.9	0	0	0	113.7	N105 I412	P103-N105 PolarHBondContact O-N 3.46Å; P103-I412 VanDerWaalsContact CD-CG2 3.5Å; P103-I412 WeakPolarHBondContact CD-O 3.12Å; P103-I412 HydrophobicContact CG-CB 3.86Å; P103-I412 HydrophobicContact CG-CG2 3.49Å; P103-I412 VanDerWaalsContact CG-CG2 3.49Å; P103-I412 WeakPolarHBondContact CG-O 3.25Å
104	T	62.9	Low	84.5	Confident	29 Å²	29	37.5 Å²	37.5	18%	0.178	21%	0.208	C	C	.	.			trans	-67.6	-21.9	-169.9	63.8	0	0	0	0	113.1	A101 S106 L271 I412	A101-T104 WeakPolarHBondContact O-CB 3.33Å; A101-T104 PolarHBondContact O-N 3.43Å; A101-T104 PolarHBondContact O-OG1 3.48Å; T104-S106 PolarHBondContact O-N 3.18Å; T104-L271 HydrophobicContact CG2-CD1 3.68Å; T104-I412 HydrophobicContact CG2-CD1 4.46Å
105	N	67.3	Low	84.5	Confident	146 Å²	146	39.5 Å²	39.5	78%	0.781	22%	0.222	S	C	*	.			trans	42.2	32.5	-174.2	-74.7	-26.8	0	0	0	112.9	P103 T107	P103-N105 PolarHBondContact O-N 3.46Å; N105-T107 PolarHBondContact O-N 3.4Å; N105-T107 VanDerWaalsContact O-N 3.1Å
106	S	79.5	Confident	84.6	Confident	22 Å²	22	39.5 Å²	39.5	15%	0.154	22%	0.222	C	C	.	.			trans	-73.9	109.1	-173.2	175.2	0	0	0	0	109.4	T104 K108 L109 C110 H267	T104-S106 PolarHBondContact O-N 3.18Å; S106-K108 PolarHBondContact O-N 2.93Å; S106-L109 PolarHBondContact O-N 3.32Å; S106-L109 PolarHBondContact OG-N 3.19Å; S106-L109 VanDerWaalsContact OG-N 3.14Å; S106-C110 WeakPolarHBondContact O-CB 3.43Å; S106-C110 PolarHBondContact O-N 3.34Å; S106-H267 WeakPolarHBondContact CB-NE2 3.37Å; S106-H267 PolarHBondContact OG-CD2 2.92Å; S106-H267 PolarHBondContact OG-NE2 2.98Å
107	T	85.9	Confident	84.6	Confident	123 Å²	123	39.5 Å²	39.5	76%	0.755	22%	0.222	S	C	*	.	H	α-helix	trans	-56.8	-36.8	174.2	55.2	0	0	0	0	110.8	N105 S111	N105-T107 PolarHBondContact O-N 3.4Å; N105-T107 VanDerWaalsContact O-N 3.1Å; T107-S111 WeakPolarHBondContact O-CB 3.24Å; T107-S111 PolarHBondContact O-N 3.46Å; T107-S111 PolarHBondContact O-OG 2.94Å
108	K	89.4	Confident	84.6	Confident	138 Å²	138	40.9 Å²	40.9	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-63.3	-52.5	175.4	-175.7	177.8	179.1	179.8	0	111.5	S106 C110 S111 Q112	S106-K108 PolarHBondContact O-N 2.93Å; K108-C110 VanDerWaalsContact C-N 3.34Å; K108-C110 PolarHBondContact O-N 2.75Å; K108-S111 PolarHBondContact O-N 3.3Å; K108-S111 VanDerWaalsContact O-N 3.16Å; K108-S111 PolarHBondContact O-OG 3.24Å; K108-Q112 WeakPolarHBondContact O-CG 3.49Å; K108-Q112 PolarHBondContact O-N 3.36Å
109	L	91.6	Very high	85	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-43.7	-179.6	-179	58.4	0	0	0	111.2	A101 S106 S111 Q112 H113 L263 T264 H267	A101-L109 HydrophobicContact CB-CD2 3.65Å; S106-L109 PolarHBondContact O-N 3.32Å; S106-L109 PolarHBondContact OG-N 3.19Å; S106-L109 VanDerWaalsContact OG-N 3.14Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.44Å; L109-Q112 PolarHBondContact O-N 3.3Å; L109-Q112 VanDerWaalsContact O-N 3.07Å; L109-H113 WeakPolarHBondContact CD1-NE2 3.49Å; L109-H113 PolarHBondContact O-N 2.97Å; L109-L263 HydrophobicContact CD1-CB 4.2Å; L109-T264 HydrophobicContact CD2-CG2 4.22Å; L109-H267 HydrophobicContact CD1-CB 4.07Å; L109-H267 HydrophobicContact CD2-CB 4.05Å; L109-H267 HydrophobicContact CG-CB 4.45Å
110	C	91.4	Very high	85.4	Confident	36 Å²	36	39.5 Å²	39.5	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-41.9	175.3	-173.8	0	0	0	0	111.7	S106 K108 Q112 H113 R114	S106-C110 WeakPolarHBondContact O-CB 3.43Å; S106-C110 PolarHBondContact O-N 3.34Å; K108-C110 VanDerWaalsContact C-N 3.34Å; K108-C110 PolarHBondContact O-N 2.75Å; C110-Q112 VanDerWaalsContact C-N 3.34Å; C110-Q112 PolarHBondContact O-N 2.94Å; C110-H113 PolarHBondContact O-N 3Å; C110-R114 WeakPolarHBondContact O-CB 3.42Å; C110-R114 PolarHBondContact O-N 3.46Å; C110-R114 PolarHBondContact SG-NH1 3.28Å; C110-R114 VanDerWaalsContact SG-NH1 3.4Å
111	S	92.8	Very high	85.9	Confident	62 Å²	62	39.2 Å²	39.2	43%	0.434	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-37.7	175.5	75.4	0	0	0	0	112.4	T107 K108 L109 R114 S115	T107-S111 WeakPolarHBondContact O-CB 3.24Å; T107-S111 PolarHBondContact O-N 3.46Å; T107-S111 PolarHBondContact O-OG 2.94Å; K108-S111 PolarHBondContact O-N 3.3Å; K108-S111 VanDerWaalsContact O-N 3.16Å; K108-S111 PolarHBondContact O-OG 3.24Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.44Å; S111-R114 PolarHBondContact O-N 2.98Å; S111-S115 PolarHBondContact O-N 3.02Å; S111-S115 PolarHBondContact O-OG 3.44Å; S111-S115 VanDerWaalsContact O-OG 3.09Å
112	Q	94.9	Very high	86.7	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.131	22%	0.221	C	C	.	.	H	α-helix	trans	-70.1	-41.1	177.8	-66.9	176.8	-67	0	0	111.8	K108 L109 C110 R114 S115 I116 L178 L263	K108-Q112 WeakPolarHBondContact O-CG 3.49Å; K108-Q112 PolarHBondContact O-N 3.36Å; L109-Q112 PolarHBondContact O-N 3.3Å; L109-Q112 VanDerWaalsContact O-N 3.07Å; C110-Q112 VanDerWaalsContact C-N 3.34Å; C110-Q112 PolarHBondContact O-N 2.94Å; Q112-R114 VanDerWaalsContact C-N 3.31Å; Q112-R114 PolarHBondContact O-N 3.48Å; Q112-S115 WeakPolarHBondContact O-CB 3.46Å; Q112-S115 PolarHBondContact O-N 3.38Å; Q112-I116 PolarHBondContact O-N 3.18Å; Q112-L178 HydrophobicContact CB-CD2 4.11Å; Q112-L178 HydrophobicContact CG-CD2 4.14Å; Q112-L263 HydrophobicContact CB-CD1 4.02Å
113	H	95.1	Very high	88.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-42.3	172.3	-67.5	159.5	0	0	0	111.5	L94 G97 Q98 L109 C110 I116 S117 A260 T264	L94-H113 VanDerWaalsContact CD2-C 3.5Å; L94-H113 HydrophobicContact CD2-CB 3.84Å; L94-H113 WeakPolarHBondContact CD2-O 3.46Å; G97-H113 PolarHBondContact O-CE1 3.1Å; Q98-H113 PolarHBondContact NE2-ND1 2.84Å; Q98-H113 VanDerWaalsContact NE2-ND1 3.12Å; L109-H113 WeakPolarHBondContact CD1-NE2 3.49Å; L109-H113 PolarHBondContact O-N 2.97Å; C110-H113 PolarHBondContact O-N 3Å; H113-I116 PolarHBondContact O-N 2.99Å; H113-S117 PolarHBondContact O-N 2.76Å; H113-A260 PolarHBondContact NE2-O 3.33Å; H113-T264 PolarHBondContact CE1-OG1 3.15Å; H113-T264 PolarHBondContact NE2-OG1 3.48Å
114	R	94.6	Very high	89.9	Confident	55 Å²	55	36 Å²	36	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-42.2	172.6	-81.3	-165.9	152.6	87.5	3.8	112.6	L16 G18 P21 L94 C110 S111 Q112 I116 S117 E118	L16-R114 PolarHBondContact O-NH1 3.49Å; L16-R114 PolarHBondContact O-NH2 2.91Å; G18-R114 PolarHBondContact O-NH2 3.4Å; P21-R114 HydrophobicContact CG-CB 4.06Å; P21-R114 HydrophobicContact CG-CG 4.26Å; P21-R114 WeakPolarHBondContact CG-O 3.38Å; L94-R114 HydrophobicContact CD1-CG 4.49Å; L94-R114 HydrophobicContact CD2-CB 4.49Å; L94-R114 HydrophobicContact CD2-CG 3.88Å; C110-R114 WeakPolarHBondContact O-CB 3.42Å; C110-R114 PolarHBondContact O-N 3.46Å; C110-R114 PolarHBondContact SG-NH1 3.28Å; C110-R114 VanDerWaalsContact SG-NH1 3.4Å; S111-R114 PolarHBondContact O-N 2.98Å; Q112-R114 VanDerWaalsContact C-N 3.31Å; Q112-R114 PolarHBondContact O-N 3.48Å; R114-I116 PolarHBondContact O-N 3.01Å; R114-S117 WeakPolarHBondContact O-CB 3.5Å; R114-S117 PolarHBondContact O-N 2.71Å; R114-E118 WeakPolarHBondContact O-CB 3.49Å; R114-E118 PolarHBondContact O-N 3.15Å
115	S	95.1	Very high	91.3	Very high	44 Å²	44	34.8 Å²	34.8	31%	0.308	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-41.4	174.6	-63.5	0	0	0	0	112.7	S111 Q112 E118 I119	S111-S115 PolarHBondContact O-N 3.02Å; S111-S115 PolarHBondContact O-OG 3.44Å; S111-S115 VanDerWaalsContact O-OG 3.09Å; Q112-S115 WeakPolarHBondContact O-CB 3.46Å; Q112-S115 PolarHBondContact O-N 3.38Å; S115-E118 PolarHBondContact O-N 3.1Å; S115-I119 WeakPolarHBondContact O-CB 3.42Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.25Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 3.23Å
116	I	96.9	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-44.5	175.3	-64.6	-67.2	0	0	0	111.4	I93 Q112 H113 R114 E118 I119 F120 L178 V183 C256 A259 L263	I93-I116 HydrophobicContact CG2-CB 4.41Å; I93-I116 HydrophobicContact CG2-CG2 3.8Å; Q112-I116 PolarHBondContact O-N 3.18Å; H113-I116 PolarHBondContact O-N 2.99Å; R114-I116 PolarHBondContact O-N 3.01Å; I116-E118 VanDerWaalsContact C-N 3.26Å; I116-E118 PolarHBondContact O-N 3.33Å; I116-I119 HydrophobicContact CD1-CD1 4.47Å; I116-I119 WeakPolarHBondContact O-CB 3.46Å; I116-I119 PolarHBondContact O-N 3.08Å; I116-F120 PolarHBondContact O-N 2.94Å; I116-L178 HydrophobicContact CD1-CD1 3.34Å; I116-L178 HydrophobicContact CG1-CD1 4.14Å; I116-V183 HydrophobicContact CD1-CG1 3.6Å; I116-C256 HydrophobicContact CG2-CB 3.81Å; I116-A259 HydrophobicContact CD1-CB 4.07Å; I116-A259 HydrophobicContact CG2-CB 4.38Å; I116-L263 HydrophobicContact CD1-CD1 4.04Å; I116-L263 HydrophobicContact CG1-CD1 3.5Å; I116-L263 VanDerWaalsContact CG1-CD1 3.5Å
117	S	95.1	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-40	175.9	172.4	0	0	0	0	111.9	S20 G90 H113 R114 F120 E121	S20-S117 PolarHBondContact OG-OG 3.1Å; G90-S117 VanDerWaalsContact C-OG 3.27Å; G90-S117 WeakPolarHBondContact CA-OG 3.39Å; G90-S117 PolarHBondContact O-OG 2.93Å; H113-S117 PolarHBondContact O-N 2.76Å; R114-S117 WeakPolarHBondContact O-CB 3.5Å; R114-S117 PolarHBondContact O-N 2.71Å; S117-F120 WeakPolarHBondContact O-CB 3.24Å; S117-E121 WeakPolarHBondContact O-CG 3.42Å; S117-E121 PolarHBondContact O-N 2.7Å
118	E	93.4	Very high	93.5	Very high	29 Å²	29	21.5 Å²	21.5	14%	0.136	11%	0.113	C	C	.	.	H	α-helix	trans	-70.5	-40.7	177.6	-163.5	-166.4	132.5	0	0	112	P21 Y22 N24 R114 S115 I116 F120 E121 T122	P21-E118 HydrophobicContact CB-CB 3.96Å; P21-E118 HydrophobicContact CB-CG 4.13Å; P21-E118 HydrophobicContact CG-CB 4.02Å; Y22-E118 WeakPolarHBondContact O-CG 3.4Å; N24-E118 WeakPolarHBondContact CA-OE1 3.39Å; N24-E118 WeakPolarHBondContact CB-OE1 3.43Å; N24-E118 WeakPolarHBondContact CB-OE2 3.18Å; N24-E118 PolarHBondContact N-OE1 3.27Å; R114-E118 WeakPolarHBondContact O-CB 3.49Å; R114-E118 PolarHBondContact O-N 3.15Å; S115-E118 PolarHBondContact O-N 3.1Å; I116-E118 VanDerWaalsContact C-N 3.26Å; I116-E118 PolarHBondContact O-N 3.33Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 2.86Å; E118-E121 PolarHBondContact O-N 3.32Å; E118-T122 VanDerWaalsContact O-CB 3.3Å; E118-T122 WeakPolarHBondContact O-CB 3.38Å; E118-T122 PolarHBondContact O-N 3.16Å; E118-T122 PolarHBondContact O-OG1 3.22Å
119	I	95.8	Very high	93.7	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-56.7	-46.7	173.6	-75.9	159.2	0	0	0	110.1	S115 I116 E121 T122 V123 V171 L175 L178 V187	S115-I119 WeakPolarHBondContact O-CB 3.42Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.25Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 3.23Å; I116-I119 HydrophobicContact CD1-CD1 4.47Å; I116-I119 WeakPolarHBondContact O-CB 3.46Å; I116-I119 PolarHBondContact O-N 3.08Å; I119-E121 PolarHBondContact O-N 3.43Å; I119-T122 PolarHBondContact O-N 3.04Å; I119-V123 HydrophobicContact CG2-CG2 4.35Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 3.37Å; I119-V171 HydrophobicContact CG2-CG1 3.84Å; I119-L175 HydrophobicContact CD1-CD2 3.8Å; I119-L175 HydrophobicContact CD1-CG 3.92Å; I119-L175 HydrophobicContact CG2-CD2 4.35Å; I119-L175 HydrophobicContact CG2-CG 4.41Å; I119-L178 HydrophobicContact CD1-CD1 4.06Å; I119-V187 HydrophobicContact CG2-CG1 4Å
120	F	95.9	Very high	93.9	Very high	14 Å²	14	17.1 Å²	17.1	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-54.1	-54.4	176.9	169.1	-92	0	0	0	111.8	G89 I93 I116 S117 E118 T122 V123 H124 L252 L253 C256	G89-F120 VanDerWaalsContact CA-CE1 3.49Å; I93-F120 HydrophobicContact CD1-CB 3.47Å; I93-F120 VanDerWaalsContact CD1-CB 3.47Å; I93-F120 HydrophobicContact CD1-CD1 3.97Å; I93-F120 HydrophobicContact CD1-CD2 3.75Å; I93-F120 HydrophobicContact CD1-CG 3.43Å; I93-F120 VanDerWaalsContact CD1-CG 3.43Å; I116-F120 PolarHBondContact O-N 2.94Å; S117-F120 WeakPolarHBondContact O-CB 3.24Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 2.86Å; F120-T122 VanDerWaalsContact C-N 3.32Å; F120-T122 PolarHBondContact O-N 2.85Å; F120-V123 PolarHBondContact O-N 2.93Å; F120-H124 WeakPolarHBondContact O-CB 3.26Å; F120-H124 PolarHBondContact O-N 3.37Å; F120-L252 HydrophobicContact CD2-CD2 3.86Å; F120-L252 HydrophobicContact CD2-CG 3.76Å; F120-L252 HydrophobicContact CE2-CB 4.43Å; F120-L252 HydrophobicContact CE2-CD2 4.05Å; F120-L252 HydrophobicContact CE2-CG 4.07Å; F120-L253 HydrophobicContact CD2-CD1 4.33Å; F120-L253 HydrophobicContact CE2-CB 3.83Å; F120-L253 HydrophobicContact CE2-CD1 3.92Å; F120-L253 HydrophobicContact CE2-CG 4.46Å; F120-L253 HydrophobicContact CZ-CB 4.43Å; F120-L253 HydrophobicContact CZ-CD1 4.14Å; F120-C256 HydrophobicContact CB-CB 4.45Å; F120-C256 HydrophobicContact CD2-CB 4.46Å
121	E	91.8	Very high	93.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.019	9%	0.093	C	C	.	.	H	α-helix	trans	-67.4	-33.7	-177.4	-65	-66.8	166	0	0	112.1	Y22 R62 S88 G90 S117 E118 I119 T125	Y22-E121 HydrophobicContact CD2-CB 3.52Å; Y22-E121 HydrophobicContact CD2-CG 3.76Å; Y22-E121 WeakPolarHBondContact CD2-OE2 3.36Å; Y22-E121 HydrophobicContact CE2-CB 3.78Å; Y22-E121 HydrophobicContact CE2-CG 4.23Å; Y22-E121 WeakPolarHBondContact CE2-OE2 3.43Å; Y22-E121 HydrophobicContact CG-CB 4.34Å; Y22-E121 WeakPolarHBondContact O-CB 3.39Å; R62-E121 IonicContact CZ-OE2 3.28Å; R62-E121 IonicContact NH1-OE1 3.61Å; R62-E121 IonicContact NH1-OE2 3.54Å; R62-E121 PolarHBondContact NH1-OE2 2.66Å; S88-E121 VanDerWaalsContact CB-OE1 3.26Å; S88-E121 WeakPolarHBondContact CB-OE1 3.49Å; S88-E121 PolarHBondContact OG-OE1 3.05Å; G90-E121 PolarHBondContact N-OE1 3.34Å; S117-E121 WeakPolarHBondContact O-CG 3.42Å; S117-E121 PolarHBondContact O-N 2.7Å; E118-E121 PolarHBondContact O-N 3.32Å; I119-E121 PolarHBondContact O-N 3.43Å; E121-T125 WeakPolarHBondContact O-CB 3.31Å; E121-T125 PolarHBondContact O-N 3.32Å; E121-T125 PolarHBondContact O-OG1 3.01Å
122	T	93.2	Very high	93.9	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.018	7%	0.073	C	C	.	.	H	α-helix	trans	-69.6	-44.8	177.8	-57.4	0	0	0	0	111.6	Y22 E118 I119 F120 T125 A126 L167 V171	Y22-T122 PolarHBondContact O-OG1 2.89Å; E118-T122 VanDerWaalsContact O-CB 3.3Å; E118-T122 WeakPolarHBondContact O-CB 3.38Å; E118-T122 PolarHBondContact O-N 3.16Å; E118-T122 PolarHBondContact O-OG1 3.22Å; I119-T122 PolarHBondContact O-N 3.04Å; F120-T122 VanDerWaalsContact C-N 3.32Å; F120-T122 PolarHBondContact O-N 2.85Å; T122-T125 PolarHBondContact O-N 3.05Å; T122-A126 WeakPolarHBondContact O-CB 3.3Å; T122-A126 PolarHBondContact O-N 3.17Å; T122-L167 HydrophobicContact CG2-CB 4.06Å; T122-L167 HydrophobicContact CG2-CD2 4.2Å; T122-V171 HydrophobicContact CG2-CG2 3.58Å
123	V	95.2	Very high	93.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-50.2	173.1	170.6	0	0	0	0	109.8	I119 F120 T125 A126 V127 L168 V171 I191 L194 L252	I119-V123 HydrophobicContact CG2-CG2 4.35Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 3.37Å; F120-V123 PolarHBondContact O-N 2.93Å; V123-T125 PolarHBondContact O-N 3.31Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.33Å; V123-A126 VanDerWaalsContact O-N 3.09Å; V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 3.45Å; V123-L168 HydrophobicContact CG2-CD2 4.44Å; V123-V171 HydrophobicContact CG2-CB 4.25Å; V123-V171 HydrophobicContact CG2-CG1 3.71Å; V123-V171 HydrophobicContact CG2-CG2 3.7Å; V123-I191 HydrophobicContact CG1-CG1 3.95Å; V123-I191 HydrophobicContact CG2-CD1 3.85Å; V123-I191 HydrophobicContact CG2-CG1 4.02Å; V123-L194 HydrophobicContact CG1-CD2 3.83Å; V123-L252 HydrophobicContact CB-CD2 3.93Å; V123-L252 HydrophobicContact CG1-CD1 4.19Å; V123-L252 HydrophobicContact CG1-CD2 3.59Å
124	H	90.8	Very high	93.4	Very high	18 Å²	18	18.6 Å²	18.6	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-39.6	-179.5	-164.3	-53.3	0	0	0	111.9	F120 A128 R249 Y350	F120-H124 WeakPolarHBondContact O-CB 3.26Å; F120-H124 PolarHBondContact O-N 3.37Å; H124-A128 WeakPolarHBondContact O-CB 3.42Å; H124-A128 PolarHBondContact O-N 3.29Å; H124-A128 VanDerWaalsContact O-N 3.11Å; H124-R249 PolarHBondContact NE2-NH1 2.97Å; H124-Y350 AromaticContact CE1-CE2 3.21Å; H124-Y350 WeakPolarHBondContact CE1-CE2 3.48Å; H124-Y350 AromaticContact CE1-CZ 3.38Å; H124-Y350 PolarHBondContact CE1-OH 3.43Å; H124-Y350 AromaticContact ND1-CE2 3.85Å; H124-Y350 AromaticContact ND1-CZ 3.68Å; H124-Y350 PolarHBondContact ND1-OH 2.92Å
125	T	91.8	Very high	93	Very high	4 Å²	4	20 Å²	20	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-69.7	-41.7	177.2	-55.2	0	0	0	0	112.2	Y22 I23 C58 E121 T122 V123 A128 I129 L167	Y22-T125 VanDerWaalsContact CZ-OG1 3.26Å; Y22-T125 PolarHBondContact OH-OG1 3.15Å; I23-T125 HydrophobicContact CD1-CG2 3.71Å; C58-T125 HydrophobicContact CB-CG2 3.9Å; E121-T125 WeakPolarHBondContact O-CB 3.31Å; E121-T125 PolarHBondContact O-N 3.32Å; E121-T125 PolarHBondContact O-OG1 3.01Å; T122-T125 PolarHBondContact O-N 3.05Å; V123-T125 PolarHBondContact O-N 3.31Å; T125-A128 PolarHBondContact O-N 3.04Å; T125-I129 HydrophobicContact CG2-CD1 3.85Å; T125-I129 HydrophobicContact CG2-CG1 4.42Å; T125-I129 WeakPolarHBondContact O-CB 3.17Å; T125-I129 VanDerWaalsContact O-CG1 3.28Å; T125-I129 WeakPolarHBondContact O-CG1 3.49Å; T125-I129 PolarHBondContact O-N 3.44Å; T125-L167 HydrophobicContact CG2-CD1 3.91Å
126	A	93.5	Very high	92.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-48.1	179.4	0	0	0	0	0	111.5	T122 V123 I129 H130 L167 L168	T122-A126 WeakPolarHBondContact O-CB 3.3Å; T122-A126 PolarHBondContact O-N 3.17Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.33Å; V123-A126 VanDerWaalsContact O-N 3.09Å; A126-I129 PolarHBondContact O-N 2.99Å; A126-H130 PolarHBondContact O-N 2.93Å; A126-L167 HydrophobicContact CB-CB 3.64Å; A126-L167 HydrophobicContact CB-CD1 4.1Å; A126-L168 HydrophobicContact CB-CD2 3.82Å; A126-L168 HydrophobicContact CB-CG 3.78Å
127	V	94.2	Very high	91.3	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-47.2	177.9	-179.3	0	0	0	0	110.7	V123 I129 H130 K131 L194 M195	V123-V127 HydrophobicContact CG1-CG2 4.31Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 3.45Å; V127-I129 VanDerWaalsContact C-N 3.26Å; V127-I129 PolarHBondContact O-N 3.04Å; V127-H130 PolarHBondContact O-N 3.29Å; V127-K131 HydrophobicContact CG1-CD 4.29Å; V127-K131 HydrophobicContact CG1-CG 4.39Å; V127-K131 WeakPolarHBondContact O-CG 3.48Å; V127-K131 PolarHBondContact O-N 3.19Å; V127-L194 HydrophobicContact CB-CD2 4.07Å; V127-L194 HydrophobicContact CG1-CD2 4.27Å; V127-L194 HydrophobicContact CG1-CG 4.18Å; V127-L194 HydrophobicContact CG2-CD2 3.43Å; V127-L194 VanDerWaalsContact CG2-CD2 3.43Å; V127-L194 HydrophobicContact CG2-CG 4.02Å; V127-M195 HydrophobicContact CB-CE 4.46Å; V127-M195 HydrophobicContact CG2-CE 3.39Å; V127-M195 HydrophobicContact CG2-SD 4.47Å
128	A	91.8	Very high	90.2	Very high	6 Å²	6	27.4 Å²	27.4	5%	0.05	14%	0.142	C	C	.	.	H	α-helix	trans	-56.3	-42.6	176.9	0	0	0	0	0	111.8	T54 H124 T125 K131 S132 Y350	T54-A128 HydrophobicContact CG2-CB 3.96Å; T54-A128 WeakPolarHBondContact CG2-O 3.14Å; H124-A128 WeakPolarHBondContact O-CB 3.42Å; H124-A128 PolarHBondContact O-N 3.29Å; H124-A128 VanDerWaalsContact O-N 3.11Å; T125-A128 PolarHBondContact O-N 3.04Å; A128-K131 PolarHBondContact O-N 3.45Å; A128-S132 PolarHBondContact O-N 2.82Å; A128-Y350 HydrophobicContact CB-CD2 4.21Å; A128-Y350 HydrophobicContact CB-CG 4.19Å
129	I	93.6	Very high	89	Confident	9 Å²	9	28.9 Å²	28.9	5%	0.046	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.7	-74.3	171.2	0	0	0	111.5	F51 V55 T125 A126 V127 K131 S132 A160 L167	F51-I129 HydrophobicContact CD2-CG2 3.98Å; F51-I129 HydrophobicContact CE2-CG2 3.78Å; V55-I129 HydrophobicContact CG2-CD1 3.9Å; V55-I129 HydrophobicContact CG2-CG1 3.9Å; T125-I129 HydrophobicContact CG2-CD1 3.85Å; T125-I129 HydrophobicContact CG2-CG1 4.42Å; T125-I129 WeakPolarHBondContact O-CB 3.17Å; T125-I129 VanDerWaalsContact O-CG1 3.28Å; T125-I129 WeakPolarHBondContact O-CG1 3.49Å; T125-I129 PolarHBondContact O-N 3.44Å; A126-I129 PolarHBondContact O-N 2.99Å; V127-I129 VanDerWaalsContact C-N 3.26Å; V127-I129 PolarHBondContact O-N 3.04Å; I129-K131 VanDerWaalsContact C-N 3.3Å; I129-K131 PolarHBondContact O-N 3.05Å; I129-S132 WeakPolarHBondContact O-CB 3.33Å; I129-S132 PolarHBondContact O-N 3.2Å; I129-S132 VanDerWaalsContact O-N 3.09Å; I129-S132 PolarHBondContact O-OG 3.29Å; I129-A160 HydrophobicContact CG2-CB 4.34Å; I129-A160 WeakPolarHBondContact CG2-O 3.26Å; I129-L167 HydrophobicContact CD1-CD1 3.83Å
130	H	95.1	Very high	87.3	Confident	40 Å²	40	31.8 Å²	31.8	19%	0.185	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-37.2	176.3	-75.6	165	0	0	0	112.5	A126 V127 S132 L133 T161 G164 D165	A126-H130 PolarHBondContact O-N 2.93Å; V127-H130 PolarHBondContact O-N 3.29Å; H130-S132 PolarHBondContact O-N 3.3Å; H130-S132 VanDerWaalsContact O-N 3.16Å; H130-L133 WeakPolarHBondContact O-CD1 3.32Å; H130-L133 VanDerWaalsContact O-CG 3.22Å; H130-L133 WeakPolarHBondContact O-CG 3.21Å; H130-L133 PolarHBondContact O-N 2.97Å; H130-T161 PolarHBondContact NE2-O 3.47Å; H130-G164 WeakPolarHBondContact NE2-CA 3.35Å; H130-D165 IonicContact CE1-OD1 2.71Å; H130-D165 PolarHBondContact CE1-OD1 3.34Å; H130-D165 PolarHBondContact NE2-N 2.93Å; H130-D165 IonicContact NE2-OD1 2.75Å; H130-D165 PolarHBondContact NE2-OD1 3.26Å
131	K	91.6	Very high	85.5	Confident	48 Å²	48	38.7 Å²	38.7	21%	0.209	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14	174.8	-65.9	-177.6	71.8	148.3	0	114	V127 A128 I129 L133 E198 L352 E354	V127-K131 HydrophobicContact CG1-CD 4.29Å; V127-K131 HydrophobicContact CG1-CG 4.39Å; V127-K131 WeakPolarHBondContact O-CG 3.48Å; V127-K131 PolarHBondContact O-N 3.19Å; A128-K131 PolarHBondContact O-N 3.45Å; I129-K131 VanDerWaalsContact C-N 3.3Å; I129-K131 PolarHBondContact O-N 3.05Å; K131-L133 PolarHBondContact O-N 2.73Å; K131-E198 WeakPolarHBondContact CD-OE1 3.2Å; K131-E198 WeakPolarHBondContact CD-OE2 3.38Å; K131-E198 WeakPolarHBondContact CE-OE1 3.2Å; K131-E198 WeakPolarHBondContact CE-OE2 3.27Å; K131-E198 WeakPolarHBondContact CG-OE2 2.95Å; K131-E198 VanDerWaalsContact NZ-CD 3.33Å; K131-E198 IonicContact NZ-OE1 2.88Å; K131-E198 PolarHBondContact NZ-OE1 2.69Å; K131-E198 IonicContact NZ-OE2 3.97Å; K131-E198 PolarHBondContact NZ-OE2 3.1Å; K131-E198 VanDerWaalsContact NZ-OE2 3.08Å; K131-L352 HydrophobicContact CB-CD1 3.55Å; K131-E354 VanDerWaalsContact CE-OE1 3.22Å; K131-E354 WeakPolarHBondContact CE-OE1 3.1Å; K131-E354 IonicContact NZ-OE1 2.96Å; K131-E354 PolarHBondContact NZ-OE1 3.42Å; K131-E354 IonicContact NZ-OE2 3.08Å; K131-E354 PolarHBondContact NZ-OE2 3.18Å
132	S	91.9	Very high	83.8	Confident	1 Å²	1	45 Å²	45	1%	0.007	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.5	-177.8	79	0	0	0	0	114.7	H49 F51 T54 A128 I129 H130	H49-S132 PolarHBondContact CE1-O 2.9Å; F51-S132 WeakPolarHBondContact CA-OG 3.38Å; T54-S132 WeakPolarHBondContact OG1-CB 3.48Å; A128-S132 PolarHBondContact O-N 2.82Å; I129-S132 WeakPolarHBondContact O-CB 3.33Å; I129-S132 PolarHBondContact O-N 3.2Å; I129-S132 VanDerWaalsContact O-N 3.09Å; I129-S132 PolarHBondContact O-OG 3.29Å; H130-S132 PolarHBondContact O-N 3.3Å; H130-S132 VanDerWaalsContact O-N 3.16Å
133	L	92.8	Very high	81.9	Confident	79 Å²	79	48.2 Å²	48.2	41%	0.414	25%	0.252	S	S	.	.			trans	-65.6	140.9	176.1	-67.6	171.5	0	0	0	110.9	H130 K131 N157 A160	H130-L133 WeakPolarHBondContact O-CD1 3.32Å; H130-L133 VanDerWaalsContact O-CG 3.22Å; H130-L133 WeakPolarHBondContact O-CG 3.21Å; H130-L133 PolarHBondContact O-N 2.97Å; K131-L133 PolarHBondContact O-N 2.73Å; L133-N157 WeakPolarHBondContact CA-OD1 3.48Å; L133-N157 HydrophobicContact CD2-CB 3.77Å; L133-N157 VanDerWaalsContact CD2-O 3.31Å; L133-N157 WeakPolarHBondContact CD2-O 3.45Å; L133-N157 WeakPolarHBondContact CD2-OD1 3.44Å; L133-A160 HydrophobicContact CD2-CB 3.84Å; L133-A160 HydrophobicContact CG-CB 4.49Å
134	V	88.2	Confident	79.9	Confident	29 Å²	29	56.2 Å²	56.2	18%	0.176	30%	0.295	C	S	.	.			trans	-109.3	140.5	176.7	-60.5	0	0	0	0	111.1	P50 I136 L139 N157	P50-V134 HydrophobicContact CG-CG1 3.6Å; V134-I136 HydrophobicContact CG2-CG1 4.39Å; V134-I136 PolarHBondContact O-N 3Å; V134-L139 HydrophobicContact CB-CD1 4.09Å; V134-L139 HydrophobicContact CG2-CD1 3.84Å; V134-N157 PolarHBondContact N-OD1 3.28Å; V134-N157 PolarHBondContact O-ND2 3.46Å
135	N	85.8	Confident	78.2	Confident	83 Å²	83	62.6 Å²	62.6	44%	0.444	33%	0.33	S	S	.	.			trans	-75.2	107.1	168.7	-174.6	0.3	0	0	0	109.6	N137 D138	N135-N137 PolarHBondContact O-N 3.39Å; N135-N137 WeakPolarHBondContact OD1-CB 3.35Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N135-N137 VanDerWaalsContact OD1-N 3.1Å; N135-D138 HydrophobicContact CB-CB 4.39Å; N135-D138 WeakPolarHBondContact CB-OD2 3.42Å; N135-D138 VanDerWaalsContact CG-OD2 3.31Å; N135-D138 PolarHBondContact ND2-OD1 2.72Å; N135-D138 VanDerWaalsContact ND2-OD1 3.09Å; N135-D138 PolarHBondContact ND2-OD2 3.44Å; N135-D138 PolarHBondContact O-N 3.19Å
136	I	81	Confident	77.3	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.138	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-27.5	-176.4	-53.2	179.8	0	0	0	111	V134 D138 L139 N140 L150 E154	V134-I136 HydrophobicContact CG2-CG1 4.39Å; V134-I136 PolarHBondContact O-N 3Å; I136-D138 VanDerWaalsContact C-N 3.33Å; I136-D138 PolarHBondContact O-N 2.74Å; I136-L139 PolarHBondContact O-N 2.9Å; I136-N140 VanDerWaalsContact O-CG 3.26Å; I136-N140 PolarHBondContact O-N 2.9Å; I136-N140 PolarHBondContact O-ND2 3.47Å; I136-L150 HydrophobicContact CG2-CD2 3.85Å; I136-E154 HydrophobicContact CD1-CB 4.1Å; I136-E154 HydrophobicContact CD1-CG 3.35Å
137	N	75.3	Confident	76.7	Confident	110 Å²	110	72.7 Å²	72.7	59%	0.588	38%	0.379	S	S	*	.	H	α-helix	trans	-67.5	-35.5	178.8	-65.4	-29.1	0	0	0	112.1	N135 L139 N140	N135-N137 PolarHBondContact O-N 3.39Å; N135-N137 WeakPolarHBondContact OD1-CB 3.35Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N135-N137 VanDerWaalsContact OD1-N 3.1Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.34Å; N137-N140 PolarHBondContact O-N 3.45Å
138	D	70.6	Confident	76.2	Confident	63 Å²	63	77.1 Å²	77.1	34%	0.337	41%	0.406	S	S	.	.	H	α-helix	trans	-70.4	-30	177.4	-60	-17.7	0	0	0	110.8	N135 I136 T211	N135-D138 HydrophobicContact CB-CB 4.39Å; N135-D138 WeakPolarHBondContact CB-OD2 3.42Å; N135-D138 VanDerWaalsContact CG-OD2 3.31Å; N135-D138 PolarHBondContact ND2-OD1 2.72Å; N135-D138 VanDerWaalsContact ND2-OD1 3.09Å; N135-D138 PolarHBondContact ND2-OD2 3.44Å; N135-D138 PolarHBondContact O-N 3.19Å; I136-D138 VanDerWaalsContact C-N 3.33Å; I136-D138 PolarHBondContact O-N 2.74Å; D138-T211 WeakPolarHBondContact OD2-CG2 3.21Å
139	L	69.1	Low	75.9	Confident	60 Å²	60	80.6 Å²	80.6	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-76.6	-31.4	176.9	-63.3	171.4	0	0	0	112.7	V134 I136 N137 Q141 W149	V134-L139 HydrophobicContact CB-CD1 4.09Å; V134-L139 HydrophobicContact CG2-CD1 3.84Å; I136-L139 PolarHBondContact O-N 2.9Å; N137-L139 VanDerWaalsContact C-N 3.26Å; N137-L139 PolarHBondContact O-N 3.34Å; L139-Q141 VanDerWaalsContact C-N 3.25Å; L139-Q141 PolarHBondContact O-N 3.09Å; L139-W149 HydrophobicContact CB-CH2 3.8Å; L139-W149 HydrophobicContact CB-CZ3 3.97Å; L139-W149 HydrophobicContact CD1-CH2 3.78Å; L139-W149 HydrophobicContact CD1-CZ3 4.39Å; L139-W149 HydrophobicContact CD2-CH2 4.16Å; L139-W149 HydrophobicContact CG-CH2 4.11Å
140	N	60.2	Low	75.5	Confident	65 Å²	65	81.9 Å²	81.9	35%	0.348	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-23.4	-179	-80.3	-23.1	0	0	0	113.9	I136 N137 N142 L150	I136-N140 VanDerWaalsContact O-CG 3.26Å; I136-N140 PolarHBondContact O-N 2.9Å; I136-N140 PolarHBondContact O-ND2 3.47Å; N137-N140 PolarHBondContact O-N 3.45Å; N140-N142 PolarHBondContact O-N 2.96Å; N140-N142 VanDerWaalsContact O-N 3.1Å; N140-L150 WeakPolarHBondContact OD1-CD1 3.26Å; N140-L150 WeakPolarHBondContact OD1-CD2 3.32Å
141	Q	58.1	Low	75.2	Confident	158 Å²	158	84.8 Å²	84.8	74%	0.738	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.8	-174.8	-62.9	-169.5	17.6	0	0	113.9	L139	L139-Q141 VanDerWaalsContact C-N 3.25Å; L139-Q141 PolarHBondContact O-N 3.09Å
142	N	55.2	Low	75.1	Confident	138 Å²	138	84.6 Å²	84.6	74%	0.738	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-2	-169.7	-70.1	-44.6	0	0	0	116.1	N140	N140-N142 PolarHBondContact O-N 2.96Å; N140-N142 VanDerWaalsContact O-N 3.1Å
143	T	54.2	Low	75	Confident	69 Å²	69	84.9 Å²	84.9	42%	0.423	44%	0.44	S	S	.	.			trans	-152.4	112.5	-179.6	53.4	0	0	0	0	113.7	D145	T143-D145 PolarHBondContact O-N 3.09Å
144	D	53.9	Low	74.9	Confident	169 Å²	169	85.1 Å²	85.1	90%	0.904	44%	0.439	S	S	*	.	S	Bend	trans	-70.6	-12	173.5	-75.3	-38.1	0	0	0	113.9
145	D	54.1	Low	75.1	Confident	151 Å²	151	86.5 Å²	86.5	81%	0.807	44%	0.444	S	S	*	.	S	Bend	trans	-122.6	41.5	-163.6	-77.2	-28.2	0	0	0	116.2	T143	T143-D145 PolarHBondContact O-N 3.09Å
146	N	72.2	Confident	75.4	Confident	85 Å²	85	82.5 Å²	82.5	46%	0.455	42%	0.423	S	S	.	.			trans	-151.6	53.2	-178.3	-110.4	-29	0	0	0	117.9	T148 W149 L150	N146-T148 PolarHBondContact O-N 3.28Å; N146-T148 VanDerWaalsContact O-N 3.1Å; N146-W149 HydrophobicContact CB-CB 3.87Å; N146-W149 WeakPolarHBondContact O-CB 3.46Å; N146-W149 PolarHBondContact O-N 3.44Å; N146-L150 PolarHBondContact O-N 3.11Å; N146-L150 VanDerWaalsContact O-N 3.1Å
147	E	81.2	Confident	76.1	Confident	131 Å²	131	82.4 Å²	82.4	61%	0.612	42%	0.423	S	S	*	.	H	α-helix	trans	-48.2	-39.7	174.3	-168.9	-169	165.5	0	0	113.4	L150 K151	E147-L150 PolarHBondContact O-N 3.47Å; E147-K151 HydrophobicContact CG-CD 4.31Å; E147-K151 WeakPolarHBondContact O-CB 3.44Å; E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-N 3.23Å; E147-K151 VanDerWaalsContact OE1-CE 3.27Å; E147-K151 WeakPolarHBondContact OE1-CE 3.04Å; E147-K151 IonicContact OE1-NZ 2.6Å; E147-K151 PolarHBondContact OE1-NZ 2.89Å
148	T	84.3	Confident	77	Confident	98 Å²	98	83 Å²	83	60%	0.601	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-38.5	178.9	-62.6	0	0	0	0	112.2	N146 N152	N146-T148 PolarHBondContact O-N 3.28Å; N146-T148 VanDerWaalsContact O-N 3.1Å; T148-N152 WeakPolarHBondContact O-CB 2.81Å; T148-N152 VanDerWaalsContact O-CG 3.28Å; T148-N152 PolarHBondContact O-N 3.48Å; T148-N152 PolarHBondContact O-ND2 3.37Å
149	W	84.6	Confident	78.1	Confident	79 Å²	79	80.2 Å²	80.2	30%	0.299	41%	0.405	S	S	.	.	H	α-helix	trans	-68	-42.8	177.8	-179.6	92	0	0	0	111.1	L139 N146 N152 M153	L139-W149 HydrophobicContact CB-CH2 3.8Å; L139-W149 HydrophobicContact CB-CZ3 3.97Å; L139-W149 HydrophobicContact CD1-CH2 3.78Å; L139-W149 HydrophobicContact CD1-CZ3 4.39Å; L139-W149 HydrophobicContact CD2-CH2 4.16Å; L139-W149 HydrophobicContact CG-CH2 4.11Å; N146-W149 HydrophobicContact CB-CB 3.87Å; N146-W149 WeakPolarHBondContact O-CB 3.46Å; N146-W149 PolarHBondContact O-N 3.44Å; W149-N152 WeakPolarHBondContact O-CB 3.45Å; W149-N152 PolarHBondContact O-N 2.86Å; W149-N152 VanDerWaalsContact O-N 3.12Å; W149-M153 HydrophobicContact CD2-CE 4.35Å; W149-M153 HydrophobicContact CD2-CG 4.06Å; W149-M153 HydrophobicContact CE3-CG 4.11Å; W149-M153 HydrophobicContact CH2-CE 4.12Å; W149-M153 HydrophobicContact CH2-CG 3.97Å; W149-M153 HydrophobicContact CZ2-CE 3.24Å; W149-M153 HydrophobicContact CZ2-CG 3.92Å; W149-M153 HydrophobicContact CZ2-SD 4.37Å; W149-M153 HydrophobicContact CZ3-CG 4.06Å; W149-M153 PolarHBondContact O-N 3.09Å
150	L	86.1	Confident	79.2	Confident	36 Å²	36	77.4 Å²	77.4	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-46.9	176.3	-69.1	173.5	0	0	0	112.2	I136 N140 N146 E147 N152 M153 E154	I136-L150 HydrophobicContact CG2-CD2 3.85Å; N140-L150 WeakPolarHBondContact OD1-CD1 3.26Å; N140-L150 WeakPolarHBondContact OD1-CD2 3.32Å; N146-L150 PolarHBondContact O-N 3.11Å; N146-L150 VanDerWaalsContact O-N 3.1Å; E147-L150 PolarHBondContact O-N 3.47Å; L150-N152 PolarHBondContact O-N 2.93Å; L150-M153 PolarHBondContact O-N 3.37Å; L150-M153 VanDerWaalsContact O-N 3.09Å; L150-E154 PolarHBondContact O-N 3.18Å
151	K	88.6	Confident	80.9	Confident	102 Å²	102	76.9 Å²	76.9	44%	0.443	39%	0.39	S	S	.	.	H	α-helix	trans	-55.8	-41	173.1	-77	172.3	171.1	171.4	0	112	E147 E154 I155	E147-K151 HydrophobicContact CG-CD 4.31Å; E147-K151 WeakPolarHBondContact O-CB 3.44Å; E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-N 3.23Å; E147-K151 VanDerWaalsContact OE1-CE 3.27Å; E147-K151 WeakPolarHBondContact OE1-CE 3.04Å; E147-K151 IonicContact OE1-NZ 2.6Å; E147-K151 PolarHBondContact OE1-NZ 2.89Å; K151-E154 PolarHBondContact O-N 3.24Å; K151-I155 WeakPolarHBondContact O-CD1 3.48Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 3.02Å
152	N	89	Confident	82.6	Confident	43 Å²	43	73.7 Å²	73.7	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-66.5	-40.3	176.8	-76.3	-24.9	0	0	0	112.4	V47 T148 W149 L150 I155 C156	V47-N152 HydrophobicContact CG1-CB 4.15Å; V47-N152 HydrophobicContact CG2-CB 3.74Å; T148-N152 WeakPolarHBondContact O-CB 2.81Å; T148-N152 VanDerWaalsContact O-CG 3.28Å; T148-N152 PolarHBondContact O-N 3.48Å; T148-N152 PolarHBondContact O-ND2 3.37Å; W149-N152 WeakPolarHBondContact O-CB 3.45Å; W149-N152 PolarHBondContact O-N 2.86Å; W149-N152 VanDerWaalsContact O-N 3.12Å; L150-N152 PolarHBondContact O-N 2.93Å; N152-I155 PolarHBondContact O-N 3.09Å; N152-C156 PolarHBondContact O-N 3.42Å; N152-C156 PolarHBondContact O-SG 3.4Å
153	M	90.3	Very high	84.3	Confident	7 Å²	7	68 Å²	68	3%	0.034	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-44.9	174.7	-70.3	-55.3	-180	0	0	111.7	V47 N48 H49 W149 L150 I155 C156 N157	V47-M153 HydrophobicContact CG1-CE 4.16Å; V47-M153 HydrophobicContact CG1-SD 4.03Å; N48-M153 WeakPolarHBondContact O-CE 3.21Å; H49-M153 HydrophobicContact CB-SD 4.04Å; H49-M153 PolarHBondContact CD2-SD 2.81Å; W149-M153 HydrophobicContact CD2-CE 4.35Å; W149-M153 HydrophobicContact CD2-CG 4.06Å; W149-M153 HydrophobicContact CE3-CG 4.11Å; W149-M153 HydrophobicContact CH2-CE 4.12Å; W149-M153 HydrophobicContact CH2-CG 3.97Å; W149-M153 HydrophobicContact CZ2-CE 3.24Å; W149-M153 HydrophobicContact CZ2-CG 3.92Å; W149-M153 HydrophobicContact CZ2-SD 4.37Å; W149-M153 HydrophobicContact CZ3-CG 4.06Å; W149-M153 PolarHBondContact O-N 3.09Å; L150-M153 PolarHBondContact O-N 3.37Å; L150-M153 VanDerWaalsContact O-N 3.09Å; M153-I155 VanDerWaalsContact C-N 3.33Å; M153-I155 PolarHBondContact O-N 2.67Å; M153-C156 PolarHBondContact O-N 2.66Å; M153-C156 VanDerWaalsContact O-N 3.1Å; M153-N157 PolarHBondContact O-N 2.9Å
154	E	91.7	Very high	86.2	Confident	85 Å²	85	64.7 Å²	64.7	40%	0.397	33%	0.328	S	S	.	.	H	α-helix	trans	-58	-43.6	174.2	-73.1	-179.4	-172.9	0	0	112.7	I136 L150 K151 C156 N157 K158	I136-E154 HydrophobicContact CD1-CB 4.1Å; I136-E154 HydrophobicContact CD1-CG 3.35Å; L150-E154 PolarHBondContact O-N 3.18Å; K151-E154 PolarHBondContact O-N 3.24Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 2.83Å; E154-N157 PolarHBondContact O-N 3.34Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.95Å
155	I	91.9	Very high	88	Confident	57 Å²	57	60.2 Å²	60.2	29%	0.292	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-38.7	177.5	-66	162.7	0	0	0	110.2	L43 K151 N152 M153 K158 L159	L43-I155 HydrophobicContact CD1-CB 4.34Å; L43-I155 HydrophobicContact CD1-CG2 3.48Å; L43-I155 VanDerWaalsContact CD1-CG2 3.48Å; K151-I155 WeakPolarHBondContact O-CD1 3.48Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 3.02Å; N152-I155 PolarHBondContact O-N 3.09Å; M153-I155 VanDerWaalsContact C-N 3.33Å; M153-I155 PolarHBondContact O-N 2.67Å; I155-K158 PolarHBondContact O-N 2.88Å; I155-L159 WeakPolarHBondContact O-CG 3.2Å; I155-L159 PolarHBondContact O-N 2.96Å
156	C	92.6	Very high	89.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-38.6	177.3	-67	0	0	0	0	112.4	H49 N152 M153 E154 K158 L159 A160	H49-C156 HydrophobicContact CB-CB 3.78Å; H49-C156 WeakPolarHBondContact CD2-CB 3.49Å; N152-C156 PolarHBondContact O-N 3.42Å; N152-C156 PolarHBondContact O-SG 3.4Å; M153-C156 PolarHBondContact O-N 2.66Å; M153-C156 VanDerWaalsContact O-N 3.1Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 2.83Å; C156-K158 PolarHBondContact O-N 2.86Å; C156-L159 WeakPolarHBondContact O-CB 3.36Å; C156-L159 PolarHBondContact O-N 3.42Å; C156-A160 PolarHBondContact O-N 3.25Å
157	N	94.6	Very high	90.6	Very high	24 Å²	24	52 Å²	52	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-47.7	170	-88.2	-6.9	0	0	0	111.2	H49 L133 V134 M153 E154 L159 A160 T161	H49-N157 PolarHBondContact NE2-OD1 3.23Å; L133-N157 WeakPolarHBondContact CA-OD1 3.48Å; L133-N157 HydrophobicContact CD2-CB 3.77Å; L133-N157 VanDerWaalsContact CD2-O 3.31Å; L133-N157 WeakPolarHBondContact CD2-O 3.45Å; L133-N157 WeakPolarHBondContact CD2-OD1 3.44Å; V134-N157 PolarHBondContact N-OD1 3.28Å; V134-N157 PolarHBondContact O-ND2 3.46Å; M153-N157 PolarHBondContact O-N 2.9Å; E154-N157 PolarHBondContact O-N 3.34Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.5Å; N157-A160 WeakPolarHBondContact O-CB 3.38Å; N157-A160 PolarHBondContact O-N 2.98Å; N157-A160 VanDerWaalsContact O-N 3.11Å; N157-T161 PolarHBondContact O-N 3.11Å; N157-T161 PolarHBondContact O-OG1 3.31Å; N157-T161 VanDerWaalsContact O-OG1 3.13Å
158	K	94.9	Very high	91.2	Very high	124 Å²	124	47.5 Å²	47.5	54%	0.539	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-40.1	175.9	-69.8	167.9	-173.5	169.8	0	112	E154 I155 C156 L162	E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.95Å; I155-K158 PolarHBondContact O-N 2.88Å; C156-K158 PolarHBondContact O-N 2.86Å; K158-L162 WeakPolarHBondContact O-CB 3.34Å; K158-L162 VanDerWaalsContact O-CG 3.24Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 3.48Å
159	L	92.6	Very high	91.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-43.4	175	-75.4	179.2	0	0	0	112	L36 R39 A40 L43 F51 I155 C156 N157 S163	L36-L159 HydrophobicContact CD1-CD2 3.29Å; L36-L159 HydrophobicContact CG-CD2 4.11Å; R39-L159 HydrophobicContact CB-CD2 4.27Å; R39-L159 HydrophobicContact CG-CD2 4.23Å; A40-L159 HydrophobicContact CB-CD1 4.11Å; L43-L159 HydrophobicContact CD1-CD1 3.7Å; F51-L159 HydrophobicContact CE1-CB 4.17Å; F51-L159 HydrophobicContact CE1-CD1 4.48Å; F51-L159 HydrophobicContact CZ-CB 4.25Å; I155-L159 WeakPolarHBondContact O-CG 3.2Å; I155-L159 PolarHBondContact O-N 2.96Å; C156-L159 WeakPolarHBondContact O-CB 3.36Å; C156-L159 PolarHBondContact O-N 3.42Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.5Å; L159-S163 WeakPolarHBondContact O-CB 3.4Å; L159-S163 PolarHBondContact O-N 2.98Å; L159-S163 PolarHBondContact O-OG 3.26Å
160	A	93.6	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-51.5	178.1	0	0	0	0	0	111.1	F51 I129 L133 C156 N157 L162 S163 G164	F51-A160 HydrophobicContact CB-CB 4.28Å; F51-A160 HydrophobicContact CD2-CB 3.57Å; F51-A160 HydrophobicContact CE2-CB 4.22Å; F51-A160 HydrophobicContact CG-CB 4.15Å; I129-A160 HydrophobicContact CG2-CB 4.34Å; I129-A160 WeakPolarHBondContact CG2-O 3.26Å; L133-A160 HydrophobicContact CD2-CB 3.84Å; L133-A160 HydrophobicContact CG-CB 4.49Å; C156-A160 PolarHBondContact O-N 3.25Å; N157-A160 WeakPolarHBondContact O-CB 3.38Å; N157-A160 PolarHBondContact O-N 2.98Å; N157-A160 VanDerWaalsContact O-N 3.11Å; A160-L162 PolarHBondContact O-N 2.73Å; A160-S163 PolarHBondContact O-N 3.36Å; A160-G164 PolarHBondContact O-N 3.42Å; A160-G164 VanDerWaalsContact O-N 3.08Å
161	T	95.8	Very high	92.3	Very high	54 Å²	54	40.8 Å²	40.8	33%	0.331	22%	0.217	S	C	.	.	H	α-helix	trans	-54.3	-56.1	176.4	-52.4	0	0	0	0	111.3	H130 N157 S163 G164 D165	H130-T161 PolarHBondContact NE2-O 3.47Å; N157-T161 PolarHBondContact O-N 3.11Å; N157-T161 PolarHBondContact O-OG1 3.31Å; N157-T161 VanDerWaalsContact O-OG1 3.13Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 2.97Å; T161-G164 PolarHBondContact O-N 3.5Å; T161-D165 PolarHBondContact O-N 3.32Å
162	L	93.6	Very high	92.6	Very high	92 Å²	92	39.6 Å²	39.6	48%	0.482	22%	0.222	S	C	.	.	H	α-helix	trans	-65	-35.5	-176.6	-69.3	172.1	0	0	0	113	L36 K158 A160 D165 V166	L36-L162 HydrophobicContact CD1-CB 4.14Å; L36-L162 HydrophobicContact CD1-CD1 4.42Å; L36-L162 HydrophobicContact CD2-CB 4.42Å; K158-L162 WeakPolarHBondContact O-CB 3.34Å; K158-L162 VanDerWaalsContact O-CG 3.24Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 3.48Å; A160-L162 PolarHBondContact O-N 2.73Å; L162-D165 PolarHBondContact O-N 3.46Å; L162-V166 VanDerWaalsContact O-CG2 3.29Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.38Å
163	S	91	Very high	92.7	Very high	18 Å²	18	41 Å²	41	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-46.1	178.9	-61.2	0	0	0	0	110.8	L36 L159 A160 T161 D165 V166 L167	L36-S163 WeakPolarHBondContact CD2-OG 3.19Å; L159-S163 WeakPolarHBondContact O-CB 3.4Å; L159-S163 PolarHBondContact O-N 2.98Å; L159-S163 PolarHBondContact O-OG 3.26Å; A160-S163 PolarHBondContact O-N 3.36Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 2.97Å; S163-D165 VanDerWaalsContact C-N 3.33Å; S163-D165 PolarHBondContact O-N 2.96Å; S163-V166 PolarHBondContact O-N 2.7Å; S163-L167 VanDerWaalsContact O-CG 3.32Å; S163-L167 WeakPolarHBondContact O-CG 3.5Å; S163-L167 PolarHBondContact O-N 2.81Å; S163-L167 VanDerWaalsContact O-N 3.15Å
164	G	92.7	Very high	92.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-40.4	175.9	0	0	0	0	0	112.1	H130 A160 T161 V166 L167 L168	H130-G164 WeakPolarHBondContact NE2-CA 3.35Å; A160-G164 PolarHBondContact O-N 3.42Å; A160-G164 VanDerWaalsContact O-N 3.08Å; T161-G164 PolarHBondContact O-N 3.5Å; G164-V166 PolarHBondContact O-N 2.91Å; G164-L167 PolarHBondContact O-N 3.45Å; G164-L168 WeakPolarHBondContact O-CG 3.03Å; G164-L168 PolarHBondContact O-N 2.84Å
165	D	93.1	Very high	93.1	Very high	74 Å²	74	37.6 Å²	37.6	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-44.8	179.3	-65.1	-9.7	0	0	0	112.1	H130 T161 L162 S163 L167 L168 A169	H130-D165 IonicContact CE1-OD1 2.71Å; H130-D165 PolarHBondContact CE1-OD1 3.34Å; H130-D165 PolarHBondContact NE2-N 2.93Å; H130-D165 IonicContact NE2-OD1 2.75Å; H130-D165 PolarHBondContact NE2-OD1 3.26Å; T161-D165 PolarHBondContact O-N 3.32Å; L162-D165 PolarHBondContact O-N 3.46Å; S163-D165 VanDerWaalsContact C-N 3.33Å; S163-D165 PolarHBondContact O-N 2.96Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.26Å; D165-L168 PolarHBondContact O-N 3.36Å; D165-A169 WeakPolarHBondContact O-CB 3.27Å; D165-A169 PolarHBondContact O-N 3.42Å
166	V	89.9	Confident	93.2	Very high	50 Å²	50	37.8 Å²	37.8	30%	0.303	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-40.8	176.7	167.9	0	0	0	0	111	I28 A33 L162 S163 G164 A169 S170	I28-V166 HydrophobicContact CG1-CG1 4.3Å; I28-V166 HydrophobicContact CG2-CG1 3.75Å; A33-V166 HydrophobicContact CB-CG1 4.35Å; L162-V166 VanDerWaalsContact O-CG2 3.29Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.38Å; S163-V166 PolarHBondContact O-N 2.7Å; G164-V166 PolarHBondContact O-N 2.91Å; V166-A169 PolarHBondContact O-N 3.4Å; V166-S170 PolarHBondContact O-N 3.45Å
167	L	91.3	Very high	93.3	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-45.9	175.9	-67.5	-179.4	0	0	0	111.4	I23 I28 T122 T125 A126 I129 S163 G164 D165 A169 S170 V171	I23-L167 HydrophobicContact CG2-CD2 4.25Å; I28-L167 HydrophobicContact CD1-CD2 3.35Å; I28-L167 HydrophobicContact CG1-CD2 4.47Å; T122-L167 HydrophobicContact CG2-CB 4.06Å; T122-L167 HydrophobicContact CG2-CD2 4.2Å; T125-L167 HydrophobicContact CG2-CD1 3.91Å; A126-L167 HydrophobicContact CB-CB 3.64Å; A126-L167 HydrophobicContact CB-CD1 4.1Å; I129-L167 HydrophobicContact CD1-CD1 3.83Å; S163-L167 VanDerWaalsContact O-CG 3.32Å; S163-L167 WeakPolarHBondContact O-CG 3.5Å; S163-L167 PolarHBondContact O-N 2.81Å; S163-L167 VanDerWaalsContact O-N 3.15Å; G164-L167 PolarHBondContact O-N 3.45Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.26Å; L167-A169 PolarHBondContact O-N 3.02Å; L167-S170 WeakPolarHBondContact O-CB 3.43Å; L167-S170 PolarHBondContact O-N 3.41Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L167-S170 PolarHBondContact O-OG 3.03Å; L167-V171 WeakPolarHBondContact O-CG2 3.3Å; L167-V171 PolarHBondContact O-N 3.44Å
168	L	93.6	Very high	93.3	Very high	36 Å²	36	42.6 Å²	42.6	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-34.6	178	-68.6	177.5	0	0	0	113	V123 A126 G164 D165 S170 V171 S172 M195	V123-L168 HydrophobicContact CG2-CD2 4.44Å; A126-L168 HydrophobicContact CB-CD2 3.82Å; A126-L168 HydrophobicContact CB-CG 3.78Å; G164-L168 WeakPolarHBondContact O-CG 3.03Å; G164-L168 PolarHBondContact O-N 2.84Å; D165-L168 PolarHBondContact O-N 3.36Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 3.28Å; L168-V171 WeakPolarHBondContact O-CB 3.45Å; L168-V171 PolarHBondContact O-N 2.84Å; L168-S172 PolarHBondContact O-N 3.2Å; L168-S172 PolarHBondContact O-OG 2.96Å; L168-S172 VanDerWaalsContact O-OG 3.11Å; L168-M195 HydrophobicContact CD1-CE 4.25Å
169	A	92.2	Very high	93.3	Very high	55 Å²	55	44 Å²	44	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-39.9	172	0	0	0	0	0	111.4	D165 V166 L167 V171 S172 T173	D165-A169 WeakPolarHBondContact O-CB 3.27Å; D165-A169 PolarHBondContact O-N 3.42Å; V166-A169 PolarHBondContact O-N 3.4Å; L167-A169 PolarHBondContact O-N 3.02Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.14Å; A169-S172 PolarHBondContact O-N 3.18Å; A169-T173 PolarHBondContact O-N 2.69Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 2.95Å; A169-T173 VanDerWaalsContact O-OG1 3.13Å
170	S	90.6	Very high	93.5	Very high	15 Å²	15	45 Å²	45	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-34.8	174.6	84.7	0	0	0	0	112.4	V166 L167 L168 T173 S174	V166-S170 PolarHBondContact O-N 3.45Å; L167-S170 WeakPolarHBondContact O-CB 3.43Å; L167-S170 PolarHBondContact O-N 3.41Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L167-S170 PolarHBondContact O-OG 3.03Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 3.28Å; S170-T173 PolarHBondContact O-N 3.1Å; S170-S174 WeakPolarHBondContact O-CB 3.26Å; S170-S174 PolarHBondContact O-N 2.95Å; S170-S174 PolarHBondContact O-OG 2.93Å
171	V	94.3	Very high	93.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-46.4	173.3	166.2	0	0	0	0	110.7	I119 T122 V123 L167 L168 A169 T173 S174 L175 I191	I119-V171 HydrophobicContact CG2-CG1 3.84Å; T122-V171 HydrophobicContact CG2-CG2 3.58Å; V123-V171 HydrophobicContact CG2-CB 4.25Å; V123-V171 HydrophobicContact CG2-CG1 3.71Å; V123-V171 HydrophobicContact CG2-CG2 3.7Å; L167-V171 WeakPolarHBondContact O-CG2 3.3Å; L167-V171 PolarHBondContact O-N 3.44Å; L168-V171 WeakPolarHBondContact O-CB 3.45Å; L168-V171 PolarHBondContact O-N 2.84Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.14Å; V171-T173 VanDerWaalsContact C-N 3.27Å; V171-T173 PolarHBondContact O-N 3.43Å; V171-S174 PolarHBondContact O-N 3.41Å; V171-S174 VanDerWaalsContact O-N 3.08Å; V171-L175 HydrophobicContact CG1-CD1 3.83Å; V171-L175 HydrophobicContact CG1-CG 4.28Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 2.92Å; V171-I191 HydrophobicContact CG1-CD1 4.14Å
172	S	94.4	Very high	93.7	Very high	78 Å²	78	50 Å²	50	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-42.6	178.1	-60.6	0	0	0	0	111.5	L168 A169 A176	L168-S172 PolarHBondContact O-N 3.2Å; L168-S172 PolarHBondContact O-OG 2.96Å; L168-S172 VanDerWaalsContact O-OG 3.11Å; A169-S172 PolarHBondContact O-N 3.18Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 3.12Å
173	T	92.6	Very high	93.9	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-42.2	175.5	-58.3	0	0	0	0	111.8	A169 S170 V171 A176 K177	A169-T173 PolarHBondContact O-N 2.69Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 2.95Å; A169-T173 VanDerWaalsContact O-OG1 3.13Å; S170-T173 PolarHBondContact O-N 3.1Å; V171-T173 VanDerWaalsContact C-N 3.27Å; V171-T173 PolarHBondContact O-N 3.43Å; T173-A176 PolarHBondContact O-N 3.34Å; T173-K177 HydrophobicContact CG2-CD 4.44Å; T173-K177 WeakPolarHBondContact O-CG 3.42Å; T173-K177 PolarHBondContact O-N 3.1Å
174	S	93.5	Very high	94.3	Very high	16 Å²	16	47 Å²	47	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-68.4	-39.7	-179.4	-59.2	0	0	0	0	112	S170 V171 K177 L178	S170-S174 WeakPolarHBondContact O-CB 3.26Å; S170-S174 PolarHBondContact O-N 2.95Å; S170-S174 PolarHBondContact O-OG 2.93Å; V171-S174 PolarHBondContact O-N 3.41Å; V171-S174 VanDerWaalsContact O-N 3.08Å; S174-K177 PolarHBondContact O-N 3.18Å; S174-L178 PolarHBondContact O-N 3.43Å
175	L	96	Very high	94.5	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-44.5	172.2	-78.2	171.5	0	0	0	111.4	I119 V171 K177 L178 V183 V184 V187	I119-L175 HydrophobicContact CD1-CD2 3.8Å; I119-L175 HydrophobicContact CD1-CG 3.92Å; I119-L175 HydrophobicContact CG2-CD2 4.35Å; I119-L175 HydrophobicContact CG2-CG 4.41Å; V171-L175 HydrophobicContact CG1-CD1 3.83Å; V171-L175 HydrophobicContact CG1-CG 4.28Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 2.92Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 3.5Å; L175-L178 HydrophobicContact CD2-CD1 4.44Å; L175-L178 WeakPolarHBondContact O-CB 3.41Å; L175-L178 PolarHBondContact O-N 3.37Å; L175-L178 VanDerWaalsContact O-N 3.16Å; L175-V183 HydrophobicContact CD2-CG1 4.35Å; L175-V184 HydrophobicContact CB-CG2 4.23Å; L175-V187 HydrophobicContact CD1-CB 4.37Å; L175-V187 HydrophobicContact CD1-CG1 4.05Å; L175-V187 HydrophobicContact CD2-CB 3.89Å; L175-V187 HydrophobicContact CD2-CG1 3.98Å; L175-V187 HydrophobicContact CD2-CG2 4.14Å
176	A	95	Very high	94.8	Very high	60 Å²	60	47.3 Å²	47.3	50%	0.496	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-39.2	177.1	0	0	0	0	0	112.6	S172 T173 L178 H179	S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 3.12Å; T173-A176 PolarHBondContact O-N 3.34Å; A176-L178 PolarHBondContact O-N 2.98Å; A176-H179 PolarHBondContact O-N 3.45Å
177	K	94.6	Very high	95.2	Very high	116 Å²	116	45 Å²	45	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-17.9	176.9	-74.5	171.6	179.1	174.7	0	113.8	N27 T173 S174 L175 H179	N27-K177 PolarHBondContact OD1-NZ 3Å; T173-K177 HydrophobicContact CG2-CD 4.44Å; T173-K177 WeakPolarHBondContact O-CG 3.42Å; T173-K177 PolarHBondContact O-N 3.1Å; S174-K177 PolarHBondContact O-N 3.18Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 3.5Å; K177-H179 VanDerWaalsContact C-N 3.25Å; K177-H179 PolarHBondContact O-CD2 3.07Å; K177-H179 PolarHBondContact O-N 2.94Å
178	L	95	Very high	95.5	Very high	9 Å²	9	47 Å²	47	5%	0.047	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.5	174.7	-65.1	172.4	0	0	0	113	Q112 I116 I119 S174 L175 A176 H180 V183	Q112-L178 HydrophobicContact CB-CD2 4.11Å; Q112-L178 HydrophobicContact CG-CD2 4.14Å; I116-L178 HydrophobicContact CD1-CD1 3.34Å; I116-L178 HydrophobicContact CG1-CD1 4.14Å; I119-L178 HydrophobicContact CD1-CD1 4.06Å; S174-L178 PolarHBondContact O-N 3.43Å; L175-L178 HydrophobicContact CD2-CD1 4.44Å; L175-L178 WeakPolarHBondContact O-CB 3.41Å; L175-L178 PolarHBondContact O-N 3.37Å; L175-L178 VanDerWaalsContact O-N 3.16Å; A176-L178 PolarHBondContact O-N 2.98Å; L178-H180 VanDerWaalsContact C-N 3.26Å; L178-H180 PolarHBondContact O-N 3.32Å; L178-V183 HydrophobicContact CD1-CG1 3.85Å
179	H	94.3	Very high	95.7	Very high	153 Å²	153	50.1 Å²	50.1	71%	0.708	30%	0.304	S	S	*	.			trans	49.5	46.7	-179.7	-58.2	-68.7	0	0	0	112.6	A176 K177 K266	A176-H179 PolarHBondContact O-N 3.45Å; K177-H179 VanDerWaalsContact C-N 3.25Å; K177-H179 PolarHBondContact O-CD2 3.07Å; K177-H179 PolarHBondContact O-N 2.94Å; H179-K266 PolarHBondContact O-NZ 2.85Å
180	H	96	Very high	96	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.125	28%	0.282	C	S	.	.			trans	-142.4	98.3	-177.9	-161.5	-43.4	0	0	0	112	L178 N182 V183 V184 I262 L263 K266	L178-H180 VanDerWaalsContact C-N 3.26Å; L178-H180 PolarHBondContact O-N 3.32Å; H180-N182 VanDerWaalsContact C-N 3.32Å; H180-N182 PolarHBondContact ND1-N 3.04Å; H180-N182 PolarHBondContact O-N 2.78Å; H180-V183 HydrophobicContact CB-CB 4.03Å; H180-V183 HydrophobicContact CB-CG2 3.96Å; H180-V183 WeakPolarHBondContact O-CB 3.33Å; H180-V183 PolarHBondContact O-N 3.27Å; H180-V183 VanDerWaalsContact O-N 3.15Å; H180-V184 WeakPolarHBondContact O-CG2 3.28Å; H180-V184 PolarHBondContact O-N 3.43Å; H180-V184 VanDerWaalsContact O-N 3.1Å; H180-I262 WeakPolarHBondContact CE1-CG2 3.42Å; H180-I262 VanDerWaalsContact NE2-CG2 3.34Å; H180-I262 WeakPolarHBondContact NE2-CG2 3.31Å; H180-L263 HydrophobicContact CB-CD2 4.41Å; H180-K266 WeakPolarHBondContact CD2-CD 3.36Å
181	A	97.1	Very high	96.4	Very high	85 Å²	85	48.2 Å²	48.2	70%	0.702	29%	0.285	S	S	*	.	H	α-helix	trans	-56	-42.1	-175.6	0	0	0	0	0	113.5	V183 V184 S185	A181-V183 PolarHBondContact O-N 2.95Å; A181-V184 WeakPolarHBondContact O-CB 3.35Å; A181-V184 PolarHBondContact O-N 3.25Å; A181-S185 PolarHBondContact O-N 3.38Å
182	N	97.2	Very high	96.6	Very high	73 Å²	73	49.9 Å²	49.9	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-44.1	178.7	-162.4	24.7	0	0	0	112.8	H180 V184 S185 V186 I262	H180-N182 VanDerWaalsContact C-N 3.32Å; H180-N182 PolarHBondContact ND1-N 3.04Å; H180-N182 PolarHBondContact O-N 2.78Å; N182-V184 VanDerWaalsContact C-N 3.34Å; N182-V184 PolarHBondContact O-N 3.48Å; N182-S185 WeakPolarHBondContact O-CB 3.27Å; N182-S185 PolarHBondContact O-N 3.33Å; N182-V186 WeakPolarHBondContact O-CG2 3.48Å; N182-V186 PolarHBondContact O-N 3.24Å; N182-I262 HydrophobicContact CB-CG2 4.4Å; N182-I262 WeakPolarHBondContact ND2-CD1 3.29Å
183	V	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-44.4	174.7	168.1	0	0	0	0	111.3	I116 L175 L178 H180 A181 S185 V186 V187 A259 I262 L263	I116-V183 HydrophobicContact CD1-CG1 3.6Å; L175-V183 HydrophobicContact CD2-CG1 4.35Å; L178-V183 HydrophobicContact CD1-CG1 3.85Å; H180-V183 HydrophobicContact CB-CB 4.03Å; H180-V183 HydrophobicContact CB-CG2 3.96Å; H180-V183 WeakPolarHBondContact O-CB 3.33Å; H180-V183 PolarHBondContact O-N 3.27Å; H180-V183 VanDerWaalsContact O-N 3.15Å; A181-V183 PolarHBondContact O-N 2.95Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 3.38Å; V183-V186 PolarHBondContact O-N 2.93Å; V183-V187 HydrophobicContact CG1-CG2 4.47Å; V183-V187 WeakPolarHBondContact O-CB 3.29Å; V183-V187 WeakPolarHBondContact O-CG2 3.47Å; V183-V187 PolarHBondContact O-N 3.48Å; V183-A259 HydrophobicContact CG1-CB 4.03Å; V183-A259 HydrophobicContact CG2-CB 4.28Å; V183-I262 HydrophobicContact CG2-CB 4.1Å; V183-I262 HydrophobicContact CG2-CG2 3.74Å; V183-L263 HydrophobicContact CG2-CD2 4.12Å; V183-L263 HydrophobicContact CG2-CG 4Å
184	V	98.3	Very high	96.9	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176.6	178.9	0	0	0	0	110.7	L175 H180 A181 N182 S188	L175-V184 HydrophobicContact CB-CG2 4.23Å; H180-V184 WeakPolarHBondContact O-CG2 3.28Å; H180-V184 PolarHBondContact O-N 3.43Å; H180-V184 VanDerWaalsContact O-N 3.1Å; A181-V184 WeakPolarHBondContact O-CB 3.35Å; A181-V184 PolarHBondContact O-N 3.25Å; N182-V184 VanDerWaalsContact C-N 3.34Å; N182-V184 PolarHBondContact O-N 3.48Å; V184-S188 WeakPolarHBondContact O-CB 3.44Å; V184-S188 PolarHBondContact O-N 2.92Å; V184-S188 PolarHBondContact O-OG 3.09Å
185	S	98.2	Very high	97	Very high	71 Å²	71	46.7 Å²	46.7	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-55.5	178.6	-167.6	0	0	0	0	111.5	A181 N182 V183 V187 S188 E189	A181-S185 PolarHBondContact O-N 3.38Å; N182-S185 WeakPolarHBondContact O-CB 3.27Å; N182-S185 PolarHBondContact O-N 3.33Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 3.38Å; S185-V187 VanDerWaalsContact C-N 3.34Å; S185-V187 PolarHBondContact O-N 3.28Å; S185-S188 PolarHBondContact O-N 3.32Å; S185-E189 WeakPolarHBondContact O-CB 3.5Å; S185-E189 PolarHBondContact O-N 2.92Å
186	V	98.3	Very high	97	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-39.5	-175.1	168.7	0	0	0	0	112.1	N182 V183 A190 S255 E258 I262	N182-V186 WeakPolarHBondContact O-CG2 3.48Å; N182-V186 PolarHBondContact O-N 3.24Å; V183-V186 PolarHBondContact O-N 2.93Å; V186-A190 PolarHBondContact O-N 3.45Å; V186-S255 PolarHBondContact O-OG 3.02Å; V186-E258 HydrophobicContact CG1-CB 4.43Å; V186-E258 HydrophobicContact CG1-CG 4.19Å; V186-E258 WeakPolarHBondContact CG1-OE2 3.4Å; V186-I262 HydrophobicContact CG2-CD1 4.32Å
187	V	98.4	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-75.2	-40.2	177.7	179.6	0	0	0	0	111.3	I119 L175 V183 S185 E189 A190 I191 A259	I119-V187 HydrophobicContact CG2-CG1 4Å; L175-V187 HydrophobicContact CD1-CB 4.37Å; L175-V187 HydrophobicContact CD1-CG1 4.05Å; L175-V187 HydrophobicContact CD2-CB 3.89Å; L175-V187 HydrophobicContact CD2-CG1 3.98Å; L175-V187 HydrophobicContact CD2-CG2 4.14Å; V183-V187 HydrophobicContact CG1-CG2 4.47Å; V183-V187 WeakPolarHBondContact O-CB 3.29Å; V183-V187 WeakPolarHBondContact O-CG2 3.47Å; V183-V187 PolarHBondContact O-N 3.48Å; S185-V187 VanDerWaalsContact C-N 3.34Å; S185-V187 PolarHBondContact O-N 3.28Å; V187-E189 PolarHBondContact O-N 2.65Å; V187-A190 PolarHBondContact O-N 2.78Å; V187-I191 HydrophobicContact CG1-CD1 4.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.39Å; V187-I191 PolarHBondContact O-N 3.18Å; V187-A259 HydrophobicContact CG2-CB 4.09Å
188	S	98	Very high	96.8	Very high	58 Å²	58	45.8 Å²	45.8	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-40.6	177	-60.4	0	0	0	0	112.3	V184 S185 A190 I191 G192	V184-S188 WeakPolarHBondContact O-CB 3.44Å; V184-S188 PolarHBondContact O-N 2.92Å; V184-S188 PolarHBondContact O-OG 3.09Å; S185-S188 PolarHBondContact O-N 3.32Å; S188-A190 VanDerWaalsContact C-N 3.32Å; S188-A190 PolarHBondContact O-N 2.91Å; S188-I191 PolarHBondContact O-N 3.34Å; S188-G192 PolarHBondContact O-N 3.35Å
189	E	98.4	Very high	96.7	Very high	100 Å²	100	53 Å²	53	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-44.3	173.4	-174.4	-170.6	149.7	0	0	111	S185 V187 I191 G192 N193	S185-E189 WeakPolarHBondContact O-CB 3.5Å; S185-E189 PolarHBondContact O-N 2.92Å; V187-E189 PolarHBondContact O-N 2.65Å; E189-I191 VanDerWaalsContact C-N 3.33Å; E189-I191 PolarHBondContact O-N 3.31Å; E189-G192 WeakPolarHBondContact O-CA 3.36Å; E189-G192 PolarHBondContact O-N 2.88Å; E189-G192 VanDerWaalsContact O-N 3.07Å; E189-N193 PolarHBondContact O-N 3.39Å
190	A	98.3	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-31	178.1	0	0	0	0	0	114	V186 V187 S188 G192 N193 L194 A251 L252	V186-A190 PolarHBondContact O-N 3.45Å; V187-A190 PolarHBondContact O-N 2.78Å; S188-A190 VanDerWaalsContact C-N 3.32Å; S188-A190 PolarHBondContact O-N 2.91Å; A190-G192 VanDerWaalsContact C-N 3.33Å; A190-N193 PolarHBondContact O-N 3.48Å; A190-L194 WeakPolarHBondContact O-CB 3.41Å; A190-L194 PolarHBondContact O-N 3.16Å; A190-A251 HydrophobicContact CB-CB 4.49Å; A190-L252 HydrophobicContact CB-CD1 4.13Å
191	I	98	Very high	96.3	Very high	30 Å²	30	48.3 Å²	48.3	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-41.9	169.8	-64.6	167.4	0	0	0	109.7	V123 V171 V187 S188 E189 L194 M195 L252	V123-I191 HydrophobicContact CG1-CG1 3.95Å; V123-I191 HydrophobicContact CG2-CD1 3.85Å; V123-I191 HydrophobicContact CG2-CG1 4.02Å; V171-I191 HydrophobicContact CG1-CD1 4.14Å; V187-I191 HydrophobicContact CG1-CD1 4.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.39Å; V187-I191 PolarHBondContact O-N 3.18Å; S188-I191 PolarHBondContact O-N 3.34Å; E189-I191 VanDerWaalsContact C-N 3.33Å; E189-I191 PolarHBondContact O-N 3.31Å; I191-L194 WeakPolarHBondContact O-CB 3.46Å; I191-L194 PolarHBondContact O-N 3.27Å; I191-M195 WeakPolarHBondContact O-CG 3.41Å; I191-M195 PolarHBondContact O-N 3.04Å; I191-M195 VanDerWaalsContact O-N 3.1Å; I191-L252 HydrophobicContact CG1-CD1 4.43Å
192	G	97.9	Very high	95.8	Very high	38 Å²	38	44.5 Å²	44.5	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-57.8	-49.1	173.2	0	0	0	0	0	112.5	S188 E189 A190 L194 M195 E196	S188-G192 PolarHBondContact O-N 3.35Å; E189-G192 WeakPolarHBondContact O-CA 3.36Å; E189-G192 PolarHBondContact O-N 2.88Å; E189-G192 VanDerWaalsContact O-N 3.07Å; A190-G192 VanDerWaalsContact C-N 3.33Å; G192-L194 VanDerWaalsContact C-N 3.29Å; G192-L194 PolarHBondContact O-N 2.92Å; G192-M195 PolarHBondContact O-N 3.48Å; G192-M195 VanDerWaalsContact O-N 3.09Å; G192-E196 PolarHBondContact O-N 2.94Å
193	N	97.9	Very high	95.3	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-39.5	176.7	-65.1	-19.1	0	0	0	112.3	E189 A190 M195 E196 A197 L247 A251	E189-N193 PolarHBondContact O-N 3.39Å; A190-N193 PolarHBondContact O-N 3.48Å; N193-M195 VanDerWaalsContact C-N 3.3Å; N193-M195 PolarHBondContact O-N 3.4Å; N193-E196 PolarHBondContact O-N 3.45Å; N193-A197 PolarHBondContact O-N 2.87Å; N193-A197 VanDerWaalsContact O-N 3.15Å; N193-L247 HydrophobicContact CB-CD2 3.86Å; N193-A251 HydrophobicContact CB-CB 3.76Å
194	L	96	Very high	94.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-37.8	176.5	-178.1	59	0	0	0	111.8	V123 V127 A190 I191 G192 A197 S248 L252	V123-L194 HydrophobicContact CG1-CD2 3.83Å; V127-L194 HydrophobicContact CB-CD2 4.07Å; V127-L194 HydrophobicContact CG1-CD2 4.27Å; V127-L194 HydrophobicContact CG1-CG 4.18Å; V127-L194 HydrophobicContact CG2-CD2 3.43Å; V127-L194 VanDerWaalsContact CG2-CD2 3.43Å; V127-L194 HydrophobicContact CG2-CG 4.02Å; A190-L194 WeakPolarHBondContact O-CB 3.41Å; A190-L194 PolarHBondContact O-N 3.16Å; I191-L194 WeakPolarHBondContact O-CB 3.46Å; I191-L194 PolarHBondContact O-N 3.27Å; G192-L194 VanDerWaalsContact C-N 3.29Å; G192-L194 PolarHBondContact O-N 2.92Å; L194-A197 WeakPolarHBondContact O-CB 3.46Å; L194-S248 WeakPolarHBondContact CD1-O 3.49Å; L194-L252 HydrophobicContact CD2-CD2 4.16Å
195	M	95.7	Very high	93.7	Very high	60 Å²	60	43.3 Å²	43.3	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-73.7	-37.4	175.8	-63.9	-61.6	167.4	0	0	112.4	V127 L168 I191 G192 N193 A197 E198 F199	V127-M195 HydrophobicContact CB-CE 4.46Å; V127-M195 HydrophobicContact CG2-CE 3.39Å; V127-M195 HydrophobicContact CG2-SD 4.47Å; L168-M195 HydrophobicContact CD1-CE 4.25Å; I191-M195 WeakPolarHBondContact O-CG 3.41Å; I191-M195 PolarHBondContact O-N 3.04Å; I191-M195 VanDerWaalsContact O-N 3.1Å; G192-M195 PolarHBondContact O-N 3.48Å; G192-M195 VanDerWaalsContact O-N 3.09Å; N193-M195 VanDerWaalsContact C-N 3.3Å; N193-M195 PolarHBondContact O-N 3.4Å; M195-A197 PolarHBondContact O-N 2.84Å; M195-E198 WeakPolarHBondContact O-CB 3.42Å; M195-E198 PolarHBondContact O-N 3.07Å; M195-E198 VanDerWaalsContact O-N 3.13Å; M195-F199 WeakPolarHBondContact O-CD2 3.36Å
196	E	96.1	Very high	92.7	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-33.5	175.2	-173	176.7	172.8	0	0	111.7	G192 N193 E198 F199 H200 L247	G192-E196 PolarHBondContact O-N 2.94Å; N193-E196 PolarHBondContact O-N 3.45Å; E196-E198 PolarHBondContact O-N 3.4Å; E196-F199 PolarHBondContact O-N 2.72Å; E196-H200 PolarHBondContact O-N 3.04Å; E196-L247 HydrophobicContact CG-CD1 4.49Å
197	A	95	Very high	91.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59	-29.3	177	0	0	0	0	0	113.8	N193 L194 M195 F199 H200 F244 L247	N193-A197 PolarHBondContact O-N 2.87Å; N193-A197 VanDerWaalsContact O-N 3.15Å; L194-A197 WeakPolarHBondContact O-CB 3.46Å; M195-A197 PolarHBondContact O-N 2.84Å; A197-F199 PolarHBondContact O-N 3.17Å; A197-H200 WeakPolarHBondContact O-CB 3.45Å; A197-H200 PolarHBondContact O-N 2.82Å; A197-F244 HydrophobicContact CB-CD2 4.4Å; A197-F244 HydrophobicContact CB-CE2 4.27Å; A197-F244 WeakPolarHBondContact O-CE2 3.42Å; A197-L247 HydrophobicContact CB-CB 3.68Å
198	E	90.9	Very high	89.6	Confident	48 Å²	48	46.4 Å²	46.4	22%	0.224	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-72.1	-19.7	178.5	-58.3	-59.3	129.3	0	0	112.3	K131 M195 E196	K131-E198 WeakPolarHBondContact CD-OE1 3.2Å; K131-E198 WeakPolarHBondContact CD-OE2 3.38Å; K131-E198 WeakPolarHBondContact CE-OE1 3.2Å; K131-E198 WeakPolarHBondContact CE-OE2 3.27Å; K131-E198 WeakPolarHBondContact CG-OE2 2.95Å; K131-E198 VanDerWaalsContact NZ-CD 3.33Å; K131-E198 IonicContact NZ-OE1 2.88Å; K131-E198 PolarHBondContact NZ-OE1 2.69Å; K131-E198 IonicContact NZ-OE2 3.97Å; K131-E198 PolarHBondContact NZ-OE2 3.1Å; K131-E198 VanDerWaalsContact NZ-OE2 3.08Å; M195-E198 WeakPolarHBondContact O-CB 3.42Å; M195-E198 PolarHBondContact O-N 3.07Å; M195-E198 VanDerWaalsContact O-N 3.13Å; E196-E198 PolarHBondContact O-N 3.4Å
199	F	93.3	Very high	87.9	Confident	160 Å²	160	45.9 Å²	45.9	70%	0.702	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-101.4	9.7	173.9	-57.6	-82	0	0	0	112.2	M195 E196 A197 I204	M195-F199 WeakPolarHBondContact O-CD2 3.36Å; E196-F199 PolarHBondContact O-N 2.72Å; A197-F199 PolarHBondContact O-N 3.17Å; F199-I204 VanDerWaalsContact O-CD1 3.28Å; F199-I204 WeakPolarHBondContact O-CD1 3.42Å
200	H	92.1	Very high	85.9	Confident	28 Å²	28	44.3 Å²	44.3	13%	0.13	24%	0.238	C	C	.	.	S	Bend	trans	-69.1	146.4	176.1	-167.6	-87.7	0	0	0	110.4	E196 A197 L202 A203 I204 K240 S243 F244	E196-H200 PolarHBondContact O-N 3.04Å; A197-H200 WeakPolarHBondContact O-CB 3.45Å; A197-H200 PolarHBondContact O-N 2.82Å; H200-L202 PolarHBondContact ND1-N 3.11Å; H200-L202 PolarHBondContact O-N 3.25Å; H200-L202 VanDerWaalsContact O-N 3.1Å; H200-A203 WeakPolarHBondContact O-CB 3.34Å; H200-A203 PolarHBondContact O-N 3.25Å; H200-I204 PolarHBondContact O-N 2.93Å; H200-K240 PolarHBondContact CE1-O 2.6Å; H200-K240 VanDerWaalsContact CE1-O 3.3Å; H200-S243 PolarHBondContact NE2-OG 2.94Å; H200-F244 HydrophobicContact CB-CD2 3.91Å
201	E	88.2	Confident	83.6	Confident	55 Å²	55	47 Å²	47	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-48.8	-43.7	-178	-172.4	-165.6	160.9	0	0	112.7	A203 I204 N205 K240	E201-A203 PolarHBondContact O-N 3.16Å; E201-I204 PolarHBondContact O-N 3.5Å; E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.28Å; E201-N205 PolarHBondContact O-N 2.87Å; E201-N205 PolarHBondContact O-ND2 3.45Å; E201-K240 IonicContact OE1-NZ 3.42Å; E201-K240 PolarHBondContact OE1-NZ 3.29Å; E201-K240 VanDerWaalsContact OE2-CE 3.24Å; E201-K240 WeakPolarHBondContact OE2-CE 3.42Å; E201-K240 IonicContact OE2-NZ 3.81Å; E201-K240 PolarHBondContact OE2-NZ 3.34Å
202	L	87.3	Confident	81.2	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-37.4	177.8	-66.8	-179.5	0	0	0	113.8	H200 L206 K240 W241 F244 P355 A360 L363	H200-L202 PolarHBondContact ND1-N 3.11Å; H200-L202 PolarHBondContact O-N 3.25Å; H200-L202 VanDerWaalsContact O-N 3.1Å; L202-L206 PolarHBondContact O-N 3.08Å; L202-K240 HydrophobicContact CD1-CB 4.26Å; L202-K240 HydrophobicContact CG-CB 4.49Å; L202-W241 HydrophobicContact CD1-CB 4.33Å; L202-F244 HydrophobicContact CD1-CB 4.03Å; L202-P355 HydrophobicContact CB-CB 3.95Å; L202-P355 HydrophobicContact CB-CG 4.19Å; L202-A360 HydrophobicContact CD1-CB 4.03Å; L202-A360 HydrophobicContact CD2-CB 3.62Å; L202-L363 HydrophobicContact CD2-CD1 4.48Å
203	A	86.3	Confident	78.5	Confident	8 Å²	8	55.2 Å²	55.2	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-46.2	177.4	0	0	0	0	0	110.4	H200 E201 N205 L206 D207 F244	H200-A203 WeakPolarHBondContact O-CB 3.34Å; H200-A203 PolarHBondContact O-N 3.25Å; E201-A203 PolarHBondContact O-N 3.16Å; A203-N205 PolarHBondContact O-N 3.02Å; A203-L206 WeakPolarHBondContact O-CB 3.44Å; A203-L206 PolarHBondContact O-N 2.94Å; A203-D207 PolarHBondContact O-N 2.87Å; A203-D207 VanDerWaalsContact O-N 3.16Å; A203-F244 HydrophobicContact CB-CE2 4.31Å
204	I	85.1	Confident	75.6	Confident	65 Å²	65	59.5 Å²	59.5	33%	0.333	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177.8	-63.6	172.2	0	0	0	111.3	F199 H200 E201 L206 D207 A208 V218	F199-I204 VanDerWaalsContact O-CD1 3.28Å; F199-I204 WeakPolarHBondContact O-CD1 3.42Å; H200-I204 PolarHBondContact O-N 2.93Å; E201-I204 PolarHBondContact O-N 3.5Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.46Å; I204-D207 PolarHBondContact O-N 2.91Å; I204-A208 PolarHBondContact O-N 3.38Å; I204-V218 HydrophobicContact CG2-CG2 4.37Å
205	N	79	Confident	72.9	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.128	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-35.5	179.7	-74.2	-18.7	0	0	0	112.2	E201 A203 S209 L363	E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.28Å; E201-N205 PolarHBondContact O-N 2.87Å; E201-N205 PolarHBondContact O-ND2 3.45Å; A203-N205 PolarHBondContact O-N 3.02Å; N205-S209 PolarHBondContact O-N 2.85Å; N205-L363 HydrophobicContact CB-CD1 4.09Å
206	L	76.5	Confident	70.1	Confident	14 Å²	14	70.1 Å²	70.1	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.8	-177.1	66.5	0	0	0	110.9	L202 A203 I204 A208 S209 N210 Y346 N353 P355	L202-L206 PolarHBondContact O-N 3.08Å; A203-L206 WeakPolarHBondContact O-CB 3.44Å; A203-L206 PolarHBondContact O-N 2.94Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.46Å; L206-A208 PolarHBondContact O-N 3.32Å; L206-S209 PolarHBondContact O-N 2.94Å; L206-S209 PolarHBondContact O-OG 3.18Å; L206-N210 PolarHBondContact O-N 3.21Å; L206-N210 PolarHBondContact O-ND2 2.89Å; L206-Y346 HydrophobicContact CD1-CD1 3.99Å; L206-Y346 HydrophobicContact CD1-CE1 4.01Å; L206-N353 HydrophobicContact CD2-CB 4.2Å; L206-P355 HydrophobicContact CD2-CB 4.39Å
207	D	68.2	Low	67.5	Low	100 Å²	100	70.5 Å²	70.5	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-40.1	178.3	-73.1	-17.9	0	0	0	112.3	A203 I204 S209 N210 T211	A203-D207 PolarHBondContact O-N 2.87Å; A203-D207 VanDerWaalsContact O-N 3.16Å; I204-D207 PolarHBondContact O-N 2.91Å; D207-S209 VanDerWaalsContact C-N 3.32Å; D207-S209 PolarHBondContact O-N 3.24Å; D207-N210 PolarHBondContact O-N 3.39Å; D207-T211 PolarHBondContact O-N 3.48Å; D207-T211 PolarHBondContact O-OG1 3.26Å
208	A	64.6	Low	65	Low	31 Å²	31	73.4 Å²	73.4	26%	0.256	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-40.8	174.3	0	0	0	0	0	111.9	I204 L206 N210 T211	I204-A208 PolarHBondContact O-N 3.38Å; L206-A208 PolarHBondContact O-N 3.32Å; A208-N210 VanDerWaalsContact C-N 3.26Å; A208-N210 PolarHBondContact O-N 2.7Å; A208-T211 PolarHBondContact O-N 2.86Å; A208-T211 PolarHBondContact O-OG1 2.88Å; A208-T211 VanDerWaalsContact O-OG1 3.11Å
209	S	61.5	Low	62.6	Low	46 Å²	46	79.7 Å²	79.7	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-30.3	177.6	78.3	0	0	0	0	113	N205 L206 D207	N205-S209 PolarHBondContact O-N 2.85Å; L206-S209 PolarHBondContact O-N 2.94Å; L206-S209 PolarHBondContact O-OG 3.18Å; D207-S209 VanDerWaalsContact C-N 3.32Å; D207-S209 PolarHBondContact O-N 3.24Å
210	N	56.5	Low	60.2	Low	68 Å²	68	74.4 Å²	74.4	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-77.5	-21.6	179.9	-69.1	-33	0	0	0	113.3	L206 D207 A208	L206-N210 PolarHBondContact O-N 3.21Å; L206-N210 PolarHBondContact O-ND2 2.89Å; D207-N210 PolarHBondContact O-N 3.39Å; A208-N210 VanDerWaalsContact C-N 3.26Å; A208-N210 PolarHBondContact O-N 2.7Å
211	T	50.8	Low	57.7	Low	56 Å²	56	78.6 Å²	78.6	34%	0.344	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3.5	-171.7	53.1	0	0	0	0	114.4	D138 D207 A208 N213	D138-T211 WeakPolarHBondContact OD2-CG2 3.21Å; D207-T211 PolarHBondContact O-N 3.48Å; D207-T211 PolarHBondContact O-OG1 3.26Å; A208-T211 PolarHBondContact O-N 2.86Å; A208-T211 PolarHBondContact O-OG1 2.88Å; A208-T211 VanDerWaalsContact O-OG1 3.11Å; T211-N213 PolarHBondContact O-N 2.73Å
212	N	46.7	Very low	55.4	Low	132 Å²	132	79.1 Å²	79.1	71%	0.706	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	11.8	-173	-70.2	-32.4	0	0	0	114.2	Y214	N212-Y214 WeakPolarHBondContact O-CD2 3.47Å; N212-Y214 PolarHBondContact O-N 2.78Å; N212-Y214 VanDerWaalsContact O-N 3.14Å
213	N	40.3	Very low	53.2	Low	108 Å²	108	85.5 Å²	85.5	58%	0.578	45%	0.454	S	S	*	.			trans	-95.6	75.2	-173.3	-139.7	-8.8	0	0	0	108.2	T211 N215	T211-N213 PolarHBondContact O-N 2.73Å; N213-N215 PolarHBondContact O-N 3.2Å
214	Y	38.4	Very low	51.2	Low	128 Å²	128	89.5 Å²	89.5	50%	0.502	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	1.8	-175.4	-89.1	-88.7	0	0	0	115.7	N212 Y217	N212-Y214 WeakPolarHBondContact O-CD2 3.47Å; N212-Y214 PolarHBondContact O-N 2.78Å; N212-Y214 VanDerWaalsContact O-N 3.14Å; Y214-Y217 HydrophobicContact CD1-CE2 4.46Å
215	N	37.9	Very low	49.3	Very low	148 Å²	148	93.8 Å²	93.8	79%	0.791	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.2	-173.5	-67.4	-23.6	0	0	0	114.3	N213	N213-N215 PolarHBondContact O-N 3.2Å
216	H	38.3	Very low	47.9	Very low	137 Å²	137	96.2 Å²	96.2	63%	0.634	52%	0.517	S	S	*	.			trans	-124	62.5	173.6	-149.7	42.6	0	0	0	111.1	V218	H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 3.31Å; H216-V218 VanDerWaalsContact O-N 3.08Å
217	Y	41.3	Very low	46.9	Very low	121 Å²	121	103.5 Å²	103.5	48%	0.475	56%	0.555	S	S	.	*			trans	-62.1	107.8	143.4	-82.1	-80.8	0	0	0	105.5	Y214 E219 Q341	Y214-Y217 HydrophobicContact CD1-CE2 4.46Å; Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.9Å; Y217-Q341 PolarHBondContact OH-NE2 3.01Å; Y217-Q341 PolarHBondContact OH-OE1 3.04Å
218	V	42.1	Very low	46.6	Very low	60 Å²	60	101.5 Å²	101.5	36%	0.364	55%	0.547	S	S	.	.			trans	-50.2	114.7	151.6	175.9	0	0	0	0	103.6	I204 H216 S220	I204-V218 HydrophobicContact CG2-CG2 4.37Å; H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 3.31Å; H216-V218 VanDerWaalsContact O-N 3.08Å; V218-S220 PolarHBondContact O-N 2.74Å
219	E	40.4	Very low	46.7	Very low	180 Å²	180	103.5 Å²	103.5	84%	0.841	56%	0.556	S	S	*	*			trans	-57.4	84.1	170.1	-165.1	172.6	-148.9	0	0	105	Y217 S221	Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.9Å; E219-S221 PolarHBondContact O-N 3.37Å
220	S	43.5	Very low	47.2	Very low	50 Å²	50	104.3 Å²	104.3	35%	0.35	56%	0.562	S	S	.	*			trans	-62.9	101	165.1	64.2	0	0	0	0	101.9	V218 I222	V218-S220 PolarHBondContact O-N 2.74Å; S220-I222 PolarHBondContact O-N 3.12Å
221	S	39.5	Very low	48.2	Very low	116 Å²	116	106.7 Å²	106.7	81%	0.811	57%	0.574	S	S	*	*			trans	-64.2	67.2	176.7	45.4	0	0	0	0	108.9	E219	E219-S221 PolarHBondContact O-N 3.37Å
222	I	40.2	Very low	49.7	Very low	66 Å²	66	108 Å²	108	34%	0.338	58%	0.579	S	S	.	*			trans	-88.5	102.6	158.2	-53.7	176.8	0	0	0	102.6	S220 I224 L236	S220-I222 PolarHBondContact O-N 3.12Å; I222-I224 HydrophobicContact CB-CG1 3.97Å; I222-I224 HydrophobicContact CG2-CD1 4.34Å; I222-I224 HydrophobicContact CG2-CG1 3.49Å; I222-I224 VanDerWaalsContact CG2-CG1 3.49Å; I222-I224 PolarHBondContact O-N 3.04Å; I222-L236 HydrophobicContact CD1-CD2 3.79Å
223	D	39.7	Very low	51.3	Low	137 Å²	137	102.4 Å²	102.4	73%	0.733	55%	0.549	S	S	*	.			trans	-59.3	83.5	160.2	-97.9	-36.9	0	0	0	107.4	N225	D223-N225 PolarHBondContact O-N 3.36Å
224	I	45.1	Very low	53.4	Low	92 Å²	92	97.7 Å²	97.7	47%	0.472	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	60	170.6	-50	172.7	0	0	0	107.4	I222 V228	I222-I224 HydrophobicContact CB-CG1 3.97Å; I222-I224 HydrophobicContact CG2-CD1 4.34Å; I222-I224 HydrophobicContact CG2-CG1 3.49Å; I222-I224 VanDerWaalsContact CG2-CG1 3.49Å; I222-I224 PolarHBondContact O-N 3.04Å; I224-V228 HydrophobicContact CG2-CG2 4.36Å
225	N	45.5	Very low	55.7	Low	155 Å²	155	95 Å²	95	83%	0.829	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	7.8	164.6	-80.6	-31.7	0	0	0	111.3	D223	D223-N225 PolarHBondContact O-N 3.36Å
226	S	49.4	Very low	58.1	Low	76 Å²	76	90.7 Å²	90.7	53%	0.531	49%	0.492	S	S	.	.	S	Bend	trans	-106.5	147.3	170.4	59.3	0	0	0	0	110	V228	S226-V228 WeakPolarHBondContact O-CG2 3.34Å; S226-V228 PolarHBondContact O-N 3.45Å
227	N	55.4	Low	60.4	Low	166 Å²	166	84.2 Å²	84.2	89%	0.888	46%	0.462	S	S	*	.			trans	-64.5	79	169.2	-77.2	-19	0	0	0	108.8	T229	N227-T229 PolarHBondContact O-N 2.9Å
228	V	60.8	Low	62.9	Low	59 Å²	59	79.1 Å²	79.1	36%	0.358	44%	0.442	S	S	.	.			trans	-63.3	115.9	177.3	-178	0	0	0	0	107.4	I224 S226 D232 I233	I224-V228 HydrophobicContact CG2-CG2 4.36Å; S226-V228 WeakPolarHBondContact O-CG2 3.34Å; S226-V228 PolarHBondContact O-N 3.45Å; V228-D232 HydrophobicContact CG1-CB 3.77Å; V228-I233 HydrophobicContact CG1-CD1 4.35Å; V228-I233 HydrophobicContact CG1-CG1 3.65Å
229	T	67.9	Low	65.3	Low	72 Å²	72	82.4 Å²	82.4	44%	0.442	45%	0.454	S	S	.	.			trans	-76	157.3	176.3	68.6	0	0	0	0	109.5	N227 N231 D232 I233	N227-T229 PolarHBondContact O-N 2.9Å; T229-N231 PolarHBondContact O-N 2.98Å; T229-N231 VanDerWaalsContact O-N 3.15Å; T229-D232 WeakPolarHBondContact CB-OD2 3.5Å; T229-D232 PolarHBondContact N-OD2 3.22Å; T229-D232 WeakPolarHBondContact O-CB 3.49Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.17Å; T229-D232 PolarHBondContact OG1-OD2 2.97Å; T229-I233 PolarHBondContact O-N 3.34Å
230	S	71.5	Confident	67.8	Low	64 Å²	64	75.3 Å²	75.3	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-53	-37.8	175.9	-52.9	0	0	0	0	111.6	D232 I233 Y234	S230-D232 VanDerWaalsContact C-N 3.34Å; S230-D232 PolarHBondContact O-N 3.48Å; S230-I233 WeakPolarHBondContact O-CB 3.48Å; S230-I233 PolarHBondContact O-N 3Å; S230-Y234 WeakPolarHBondContact O-CD2 3.49Å; S230-Y234 WeakPolarHBondContact O-CE2 3.48Å; S230-Y234 PolarHBondContact O-N 3.47Å
231	N	78.3	Confident	70.2	Confident	118 Å²	118	72.9 Å²	72.9	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-59.8	-39.4	176.8	-74.9	-7.4	0	0	0	113.5	T229 I233 Y234 E235	T229-N231 PolarHBondContact O-N 2.98Å; T229-N231 VanDerWaalsContact O-N 3.15Å; N231-I233 VanDerWaalsContact C-N 3.28Å; N231-I233 PolarHBondContact O-N 3.41Å; N231-Y234 PolarHBondContact O-N 2.95Å; N231-E235 PolarHBondContact O-N 3.46Å
232	D	80.8	Confident	72.9	Confident	83 Å²	83	68.4 Å²	68.4	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-34.9	179.4	-57.7	-44.6	0	0	0	111	V228 T229 S230 L236	V228-D232 HydrophobicContact CG1-CB 3.77Å; T229-D232 WeakPolarHBondContact CB-OD2 3.5Å; T229-D232 PolarHBondContact N-OD2 3.22Å; T229-D232 WeakPolarHBondContact O-CB 3.49Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.17Å; T229-D232 PolarHBondContact OG1-OD2 2.97Å; S230-D232 VanDerWaalsContact C-N 3.34Å; S230-D232 PolarHBondContact O-N 3.48Å; D232-L236 VanDerWaalsContact O-CB 3.27Å; D232-L236 WeakPolarHBondContact O-CB 3.42Å; D232-L236 PolarHBondContact O-N 2.73Å
233	I	80.5	Confident	75.5	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-63.7	-44.8	175.6	-62.3	178.1	0	0	0	110.6	V228 T229 S230 N231 S237 L361 L365	V228-I233 HydrophobicContact CG1-CD1 4.35Å; V228-I233 HydrophobicContact CG1-CG1 3.65Å; T229-I233 PolarHBondContact O-N 3.34Å; S230-I233 WeakPolarHBondContact O-CB 3.48Å; S230-I233 PolarHBondContact O-N 3Å; N231-I233 VanDerWaalsContact C-N 3.28Å; N231-I233 PolarHBondContact O-N 3.41Å; I233-S237 WeakPolarHBondContact O-CB 3.34Å; I233-S237 PolarHBondContact O-N 3.44Å; I233-S237 PolarHBondContact O-OG 3.48Å; I233-L361 HydrophobicContact CG2-CD1 4.16Å; I233-L365 HydrophobicContact CG2-CD2 4.1Å; I233-L365 HydrophobicContact CG2-CG 4.34Å
234	Y	84.5	Confident	78.2	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.039	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-45	179.9	-61.7	-72	0	0	0	111.8	S230 N231 S237 K238 L361 E380 E384	S230-Y234 WeakPolarHBondContact O-CD2 3.49Å; S230-Y234 WeakPolarHBondContact O-CE2 3.48Å; S230-Y234 PolarHBondContact O-N 3.47Å; N231-Y234 PolarHBondContact O-N 2.95Å; Y234-S237 PolarHBondContact O-N 3.15Å; Y234-K238 VanDerWaalsContact O-CB 3.24Å; Y234-K238 WeakPolarHBondContact O-CB 3.38Å; Y234-K238 PolarHBondContact O-N 3.08Å; Y234-L361 HydrophobicContact CD1-CD1 3.43Å; Y234-L361 VanDerWaalsContact CD1-CD1 3.43Å; Y234-L361 HydrophobicContact CD1-CD2 3.89Å; Y234-L361 HydrophobicContact CD1-CG 4.32Å; Y234-L361 HydrophobicContact CE1-CD1 3.63Å; Y234-L361 HydrophobicContact CE1-CD2 3.79Å; Y234-L361 HydrophobicContact CE1-CG 4.29Å; Y234-L361 HydrophobicContact CG-CD1 4.38Å; Y234-E380 HydrophobicContact CE1-CG 3.96Å; Y234-E380 VanDerWaalsContact CZ-CD 3.48Å; Y234-E380 PolarHBondContact OH-OE1 3.46Å; Y234-E380 PolarHBondContact OH-OE2 3.09Å; Y234-E384 HydrophobicContact CD1-CG 3.63Å; Y234-E384 HydrophobicContact CE1-CG 4.14Å; Y234-E384 HydrophobicContact CG-CG 4.24Å
235	E	87.2	Confident	80.6	Confident	70 Å²	70	56.8 Å²	56.8	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-43.9	177.8	-73.6	-55.7	136.8	0	0	111.6	N231 S237 K238 E239 R387	N231-E235 PolarHBondContact O-N 3.46Å; E235-S237 VanDerWaalsContact C-N 3.34Å; E235-S237 PolarHBondContact O-N 3.39Å; E235-K238 WeakPolarHBondContact O-CB 3.25Å; E235-K238 PolarHBondContact O-N 3Å; E235-K238 IonicContact OE1-NZ 2.92Å; E235-K238 IonicContact OE2-NZ 3.83Å; E235-K238 PolarHBondContact OE2-NZ 3.48Å; E235-E239 WeakPolarHBondContact O-CB 3.29Å; E235-E239 WeakPolarHBondContact O-CG 3.4Å; E235-E239 PolarHBondContact O-N 3.27Å; E235-R387 IonicContact OE1-CZ 3.09Å; E235-R387 IonicContact OE1-NH1 2.79Å; E235-R387 PolarHBondContact OE1-NH1 2.96Å; E235-R387 IonicContact OE1-NH2 2.77Å; E235-R387 PolarHBondContact OE1-NH2 2.65Å
236	L	87.3	Confident	83.1	Confident	59 Å²	59	54.4 Å²	54.4	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.7	-177.7	64.9	0	0	0	111.8	I222 D232 K238 E239 K240	I222-L236 HydrophobicContact CD1-CD2 3.79Å; D232-L236 VanDerWaalsContact O-CB 3.27Å; D232-L236 WeakPolarHBondContact O-CB 3.42Å; D232-L236 PolarHBondContact O-N 2.73Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 3Å; L236-E239 PolarHBondContact O-N 2.7Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 2.98Å
237	S	88.3	Confident	85.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-41.5	179.6	-56.3	0	0	0	0	111.5	I233 Y234 E235 W241 A360 L361 S364	I233-S237 WeakPolarHBondContact O-CB 3.34Å; I233-S237 PolarHBondContact O-N 3.44Å; I233-S237 PolarHBondContact O-OG 3.48Å; Y234-S237 PolarHBondContact O-N 3.15Å; E235-S237 VanDerWaalsContact C-N 3.34Å; E235-S237 PolarHBondContact O-N 3.39Å; S237-W241 WeakPolarHBondContact O-CB 3.3Å; S237-W241 PolarHBondContact O-N 3.04Å; S237-A360 PolarHBondContact OG-O 2.81Å; S237-L361 WeakPolarHBondContact OG-CA 3.44Å; S237-S364 WeakPolarHBondContact OG-CB 3.44Å; S237-S364 PolarHBondContact OG-OG 2.88Å
238	K	92.6	Very high	87.2	Confident	15 Å²	15	44.4 Å²	44.4	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.2	169.4	-172.6	172.1	-169.5	0	111.4	Y234 E235 L236 W241 L242 F357 I388 E391	Y234-K238 VanDerWaalsContact O-CB 3.24Å; Y234-K238 WeakPolarHBondContact O-CB 3.38Å; Y234-K238 PolarHBondContact O-N 3.08Å; E235-K238 WeakPolarHBondContact O-CB 3.25Å; E235-K238 PolarHBondContact O-N 3Å; E235-K238 IonicContact OE1-NZ 2.92Å; E235-K238 IonicContact OE2-NZ 3.83Å; E235-K238 PolarHBondContact OE2-NZ 3.48Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 3Å; K238-W241 PolarHBondContact O-N 3.21Å; K238-L242 HydrophobicContact CG-CD1 3.83Å; K238-L242 HydrophobicContact CG-CG 4.42Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.34Å; K238-L242 WeakPolarHBondContact O-CG 3.37Å; K238-L242 PolarHBondContact O-N 2.94Å; K238-F357 HydrophobicContact CB-CE2 4.2Å; K238-I388 HydrophobicContact CB-CD1 3.95Å; K238-I388 HydrophobicContact CB-CG1 4.48Å; K238-I388 HydrophobicContact CD-CD1 4.24Å; K238-I388 HydrophobicContact CD-CG1 3.86Å; K238-I388 HydrophobicContact CG-CD1 3.78Å; K238-I388 HydrophobicContact CG-CG1 3.89Å; K238-E391 VanDerWaalsContact CE-OE2 3.29Å; K238-E391 WeakPolarHBondContact CE-OE2 3.39Å; K238-E391 IonicContact NZ-OE1 3.24Å; K238-E391 PolarHBondContact NZ-OE1 2.86Å; K238-E391 IonicContact NZ-OE2 2.69Å; K238-E391 PolarHBondContact NZ-OE2 3.15Å
239	E	92.6	Very high	88.8	Confident	128 Å²	128	43.2 Å²	43.2	60%	0.598	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-46.3	178.5	-76.5	-171.1	163.2	0	0	111.6	E235 L236 W241 L242 S243	E235-E239 WeakPolarHBondContact O-CB 3.29Å; E235-E239 WeakPolarHBondContact O-CG 3.4Å; E235-E239 PolarHBondContact O-N 3.27Å; L236-E239 PolarHBondContact O-N 2.7Å; E239-W241 PolarHBondContact O-N 3.46Å; E239-L242 PolarHBondContact O-N 2.88Å; E239-S243 WeakPolarHBondContact O-CB 3.47Å; E239-S243 PolarHBondContact O-N 3.21Å
240	K	92.4	Very high	90.2	Very high	31 Å²	31	39.8 Å²	39.8	14%	0.135	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-47	175.7	-73.3	-173.8	179.8	-163.9	0	111.9	H200 E201 L202 L236 S243 F244	H200-K240 PolarHBondContact CE1-O 2.6Å; H200-K240 VanDerWaalsContact CE1-O 3.3Å; E201-K240 IonicContact OE1-NZ 3.42Å; E201-K240 PolarHBondContact OE1-NZ 3.29Å; E201-K240 VanDerWaalsContact OE2-CE 3.24Å; E201-K240 WeakPolarHBondContact OE2-CE 3.42Å; E201-K240 IonicContact OE2-NZ 3.81Å; E201-K240 PolarHBondContact OE2-NZ 3.34Å; L202-K240 HydrophobicContact CD1-CB 4.26Å; L202-K240 HydrophobicContact CG-CB 4.49Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 2.98Å; K240-S243 PolarHBondContact O-N 3.28Å; K240-F244 PolarHBondContact O-N 3.19Å
241	W	94.3	Very high	91.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-43.4	178.9	176.5	82.5	0	0	0	112.2	L202 S237 K238 E239 S243 F244 V245 R302 L303 E306 T356 F357 A360 I388 L392	L202-W241 HydrophobicContact CD1-CB 4.33Å; S237-W241 WeakPolarHBondContact O-CB 3.3Å; S237-W241 PolarHBondContact O-N 3.04Å; K238-W241 PolarHBondContact O-N 3.21Å; E239-W241 PolarHBondContact O-N 3.46Å; W241-S243 VanDerWaalsContact C-N 3.32Å; W241-S243 PolarHBondContact O-N 3.24Å; W241-F244 PolarHBondContact O-N 3.34Å; W241-V245 HydrophobicContact CD2-CG2 4Å; W241-V245 VanDerWaalsContact CE2-CG2 3.44Å; W241-V245 HydrophobicContact CG-CG2 4.34Å; W241-V245 HydrophobicContact CH2-CG1 4.49Å; W241-V245 HydrophobicContact CH2-CG2 4.28Å; W241-V245 HydrophobicContact CZ2-CB 4.32Å; W241-V245 HydrophobicContact CZ2-CG1 4.41Å; W241-V245 HydrophobicContact CZ2-CG2 3.63Å; W241-V245 WeakPolarHBondContact O-CG2 3.43Å; W241-V245 PolarHBondContact O-N 3.45Å; W241-R302 HydrophobicContact CZ2-CG 4.2Å; W241-L303 HydrophobicContact CH2-CB 3.72Å; W241-L303 HydrophobicContact CH2-CD1 3.65Å; W241-L303 HydrophobicContact CH2-CG 4.21Å; W241-L303 HydrophobicContact CZ2-CB 4.17Å; W241-L303 HydrophobicContact CZ2-CD1 4.38Å; W241-L303 HydrophobicContact CZ3-CD1 3.83Å; W241-E306 PolarHBondContact NE1-OE1 2.88Å; W241-E306 PolarHBondContact NE1-OE2 2.7Å; W241-T356 VanDerWaalsContact CD1-C 3.42Å; W241-F357 HydrophobicContact CB-CB 4.17Å; W241-F357 HydrophobicContact CB-CD2 4.09Å; W241-F357 HydrophobicContact CD2-CB 3.8Å; W241-F357 HydrophobicContact CG-CB 3.58Å; W241-F357 HydrophobicContact CG-CD2 4.34Å; W241-F357 HydrophobicContact CG-CG 4.45Å; W241-A360 HydrophobicContact CB-CB 4.45Å; W241-I388 HydrophobicContact CZ3-CG2 4.08Å; W241-L392 HydrophobicContact CZ3-CD1 4.44Å
242	L	96	Very high	92.4	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-39.2	176.8	-80	173.1	0	0	0	111.8	K238 E239 K246 L392	K238-L242 HydrophobicContact CG-CD1 3.83Å; K238-L242 HydrophobicContact CG-CG 4.42Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.34Å; K238-L242 WeakPolarHBondContact O-CG 3.37Å; K238-L242 PolarHBondContact O-N 2.94Å; E239-L242 PolarHBondContact O-N 2.88Å; L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 WeakPolarHBondContact O-CD 3.37Å; L242-K246 WeakPolarHBondContact O-CG 3.32Å; L242-K246 PolarHBondContact O-N 2.74Å; L242-L392 HydrophobicContact CD2-CD1 4.33Å; L242-L392 HydrophobicContact CD2-CD2 4.17Å
243	S	95.9	Very high	93.2	Very high	51 Å²	51	28.3 Å²	28.3	36%	0.357	14%	0.14	S	C	.	.	H	α-helix	trans	-58.3	-52.9	173.9	178.2	0	0	0	0	110.6	H200 E239 K240 W241 V245 K246 L247	H200-S243 PolarHBondContact NE2-OG 2.94Å; E239-S243 WeakPolarHBondContact O-CB 3.47Å; E239-S243 PolarHBondContact O-N 3.21Å; K240-S243 PolarHBondContact O-N 3.28Å; W241-S243 VanDerWaalsContact C-N 3.32Å; W241-S243 PolarHBondContact O-N 3.24Å; S243-V245 PolarHBondContact O-N 3.42Å; S243-K246 PolarHBondContact O-N 3.05Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 3.49Å; S243-L247 VanDerWaalsContact O-N 3.13Å
244	F	95.8	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-53.2	177.8	172.2	-106.1	0	0	0	112.6	A197 H200 L202 A203 K240 W241 K246 L247 S248 P355	A197-F244 HydrophobicContact CB-CD2 4.4Å; A197-F244 HydrophobicContact CB-CE2 4.27Å; A197-F244 WeakPolarHBondContact O-CE2 3.42Å; H200-F244 HydrophobicContact CB-CD2 3.91Å; L202-F244 HydrophobicContact CD1-CB 4.03Å; A203-F244 HydrophobicContact CB-CE2 4.31Å; K240-F244 PolarHBondContact O-N 3.19Å; W241-F244 PolarHBondContact O-N 3.34Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.35Å; F244-L247 PolarHBondContact O-N 3.11Å; F244-L247 VanDerWaalsContact O-N 3.14Å; F244-S248 WeakPolarHBondContact O-CB 3.35Å; F244-S248 PolarHBondContact O-N 3Å; F244-S248 PolarHBondContact O-OG 3.42Å; F244-S248 VanDerWaalsContact O-OG 3.06Å; F244-P355 HydrophobicContact CD1-CG 4.07Å; F244-P355 HydrophobicContact CD2-CG 4.43Å; F244-P355 HydrophobicContact CE1-CG 3.52Å; F244-P355 HydrophobicContact CE2-CG 3.9Å; F244-P355 HydrophobicContact CZ-CG 3.41Å; F244-P355 VanDerWaalsContact CZ-CG 3.41Å
245	V	96	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-32.3	-175.1	175.8	0	0	0	0	112.2	W241 S243 L247 S248 R249 G250 C299 R302	W241-V245 HydrophobicContact CD2-CG2 4Å; W241-V245 VanDerWaalsContact CE2-CG2 3.44Å; W241-V245 HydrophobicContact CG-CG2 4.34Å; W241-V245 HydrophobicContact CH2-CG1 4.49Å; W241-V245 HydrophobicContact CH2-CG2 4.28Å; W241-V245 HydrophobicContact CZ2-CB 4.32Å; W241-V245 HydrophobicContact CZ2-CG1 4.41Å; W241-V245 HydrophobicContact CZ2-CG2 3.63Å; W241-V245 WeakPolarHBondContact O-CG2 3.43Å; W241-V245 PolarHBondContact O-N 3.45Å; S243-V245 PolarHBondContact O-N 3.42Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-S248 WeakPolarHBondContact CA-OG 3.48Å; V245-R249 HydrophobicContact CG1-CB 4.38Å; V245-R249 PolarHBondContact O-N 3.45Å; V245-G250 PolarHBondContact O-N 3.05Å; V245-C299 HydrophobicContact CG1-CB 4.22Å; V245-R302 HydrophobicContact CG1-CB 3.95Å; V245-R302 HydrophobicContact CG1-CG 3.88Å; V245-R302 HydrophobicContact CG2-CG 4.04Å
246	K	97.4	Very high	95.3	Very high	104 Å²	104	23.9 Å²	23.9	45%	0.452	12%	0.12	S	C	.	.	I	π-helix	trans	-62.5	-42.4	171.6	-78.4	170.9	-175.7	172.6	0	111.2	L242 S243 F244 G250 A251	L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 WeakPolarHBondContact O-CD 3.37Å; L242-K246 WeakPolarHBondContact O-CG 3.32Å; L242-K246 PolarHBondContact O-N 2.74Å; S243-K246 PolarHBondContact O-N 3.05Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.35Å; K246-G250 CarbonylContact O-C 3.41Å; K246-G250 WeakPolarHBondContact O-CA 3.29Å; K246-G250 PolarHBondContact O-N 3.38Å; K246-A251 WeakPolarHBondContact O-CB 3.43Å; K246-A251 PolarHBondContact O-N 3.42Å
247	L	97.4	Very high	95.8	Very high	30 Å²	30	21.1 Å²	21.1	16%	0.157	11%	0.105	C	C	.	.	I	π-helix	trans	-70.1	-48.7	176.8	-68.3	171.8	0	0	0	111.4	N193 E196 A197 S243 F244 V245	N193-L247 HydrophobicContact CB-CD2 3.86Å; E196-L247 HydrophobicContact CG-CD1 4.49Å; A197-L247 HydrophobicContact CB-CB 3.68Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 3.49Å; S243-L247 VanDerWaalsContact O-N 3.13Å; F244-L247 PolarHBondContact O-N 3.11Å; F244-L247 VanDerWaalsContact O-N 3.14Å; V245-L247 VanDerWaalsContact C-N 3.34Å
248	S	94.8	Very high	96.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	11%	0.111	C	C	.	.	I	π-helix	trans	-78.3	-21	-171.6	65.6	0	0	0	0	115.5	L194 F244 V245	L194-S248 WeakPolarHBondContact CD1-O 3.49Å; F244-S248 WeakPolarHBondContact O-CB 3.35Å; F244-S248 PolarHBondContact O-N 3Å; F244-S248 PolarHBondContact O-OG 3.42Å; F244-S248 VanDerWaalsContact O-OG 3.06Å; V245-S248 WeakPolarHBondContact CA-OG 3.48Å
249	R	93.3	Very high	96.5	Very high	34 Å²	34	21.6 Å²	21.6	13%	0.128	11%	0.107	C	C	.	.	I	π-helix	trans	-136.5	-46.1	-177.1	-62.3	-74.2	171.9	-105.9	7.8	112.1	H124 V245 A298 E349 E354	H124-R249 PolarHBondContact NE2-NH1 2.97Å; V245-R249 HydrophobicContact CG1-CB 4.38Å; V245-R249 PolarHBondContact O-N 3.45Å; R249-A298 HydrophobicContact CB-CB 4.12Å; R249-E349 IonicContact CZ-OE2 3.36Å; R249-E349 IonicContact NE-OE2 2.79Å; R249-E349 PolarHBondContact NE-OE2 2.96Å; R249-E349 IonicContact NH2-OE2 3.52Å; R249-E349 PolarHBondContact NH2-OE2 2.9Å; R249-E354 IonicContact NH2-OE1 3.16Å
250	G	96.8	Very high	96.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-66.7	-41.1	-172.8	0	0	0	0	0	114.8	V245 K246 G254 S295	V245-G250 PolarHBondContact O-N 3.05Å; K246-G250 CarbonylContact O-C 3.41Å; K246-G250 WeakPolarHBondContact O-CA 3.29Å; K246-G250 PolarHBondContact O-N 3.38Å; G250-G254 PolarHBondContact O-N 3.15Å; G250-S295 VanDerWaalsContact O-CA 3.29Å; G250-S295 WeakPolarHBondContact O-CA 3.47Å; G250-S295 WeakPolarHBondContact O-CB 3.44Å
251	A	98	Very high	96.9	Very high	13 Å²	13	14 Å²	14	11%	0.107	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-49.7	-172.3	0	0	0	0	0	111	A190 N193 K246 S255	A190-A251 HydrophobicContact CB-CB 4.49Å; N193-A251 HydrophobicContact CB-CB 3.76Å; K246-A251 WeakPolarHBondContact O-CB 3.43Å; K246-A251 PolarHBondContact O-N 3.42Å; A251-S255 WeakPolarHBondContact O-CB 3.46Å; A251-S255 PolarHBondContact O-N 3.46Å; A251-S255 PolarHBondContact O-OG 2.89Å
252	L	98.2	Very high	97	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-47.8	-178.8	-171.4	67.2	0	0	0	112.2	F120 V123 A190 I191 L194 G254 S255 C256	F120-L252 HydrophobicContact CD2-CD2 3.86Å; F120-L252 HydrophobicContact CD2-CG 3.76Å; F120-L252 HydrophobicContact CE2-CB 4.43Å; F120-L252 HydrophobicContact CE2-CD2 4.05Å; F120-L252 HydrophobicContact CE2-CG 4.07Å; V123-L252 HydrophobicContact CB-CD2 3.93Å; V123-L252 HydrophobicContact CG1-CD1 4.19Å; V123-L252 HydrophobicContact CG1-CD2 3.59Å; A190-L252 HydrophobicContact CB-CD1 4.13Å; I191-L252 HydrophobicContact CG1-CD1 4.43Å; L194-L252 HydrophobicContact CD2-CD2 4.16Å; L252-G254 PolarHBondContact O-N 3.25Å; L252-S255 PolarHBondContact O-N 2.87Å; L252-C256 WeakPolarHBondContact O-CB 3.48Å; L252-C256 PolarHBondContact O-N 3.29Å; L252-C256 PolarHBondContact O-SG 3.2Å; L252-C256 VanDerWaalsContact O-SG 3.34Å
253	L	98.2	Very high	96.9	Very high	7 Å²	7	13.1 Å²	13.1	4%	0.037	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-43.6	179.8	-175.5	57.2	0	0	0	111.5	I93 F120 C256 C257 G294 W297 A298	I93-L253 HydrophobicContact CD1-CD1 3.84Å; I93-L253 HydrophobicContact CG1-CD1 3.7Å; F120-L253 HydrophobicContact CD2-CD1 4.33Å; F120-L253 HydrophobicContact CE2-CB 3.83Å; F120-L253 HydrophobicContact CE2-CD1 3.92Å; F120-L253 HydrophobicContact CE2-CG 4.46Å; F120-L253 HydrophobicContact CZ-CB 4.43Å; F120-L253 HydrophobicContact CZ-CD1 4.14Å; L253-C256 PolarHBondContact O-N 3.1Å; L253-C257 PolarHBondContact O-N 3.44Å; L253-C257 PolarHBondContact O-SG 2.72Å; L253-G294 WeakPolarHBondContact CD2-O 3.21Å; L253-W297 HydrophobicContact CD2-CB 4.42Å; L253-W297 HydrophobicContact CD2-CG 4.29Å; L253-A298 HydrophobicContact CB-CB 4.21Å; L253-A298 HydrophobicContact CD2-CB 3.87Å
254	G	98.5	Very high	96.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-59.5	-52.8	175.7	0	0	0	0	0	112.3	G250 L252 C256 C257 E258 K291	G250-G254 PolarHBondContact O-N 3.15Å; L252-G254 PolarHBondContact O-N 3.25Å; G254-C256 VanDerWaalsContact C-N 3.29Å; G254-C256 PolarHBondContact O-N 2.88Å; G254-C257 WeakPolarHBondContact O-CB 3.35Å; G254-C257 PolarHBondContact O-N 3.46Å; G254-C257 VanDerWaalsContact O-N 3.12Å; G254-E258 PolarHBondContact O-N 2.91Å; G254-K291 WeakPolarHBondContact CA-O 3.46Å; G254-K291 WeakPolarHBondContact O-CA 3.47Å
255	S	98.6	Very high	96.5	Very high	1 Å²	1	13 Å²	13	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-62.3	-33.7	179.2	-77.8	0	0	0	0	113.1	V186 A251 L252 E258 A259	V186-S255 PolarHBondContact O-OG 3.02Å; A251-S255 WeakPolarHBondContact O-CB 3.46Å; A251-S255 PolarHBondContact O-N 3.46Å; A251-S255 PolarHBondContact O-OG 2.89Å; L252-S255 PolarHBondContact O-N 2.87Å; S255-E258 PolarHBondContact O-N 3.09Å; S255-A259 VanDerWaalsContact O-CB 3.27Å; S255-A259 WeakPolarHBondContact O-CB 3.45Å; S255-A259 PolarHBondContact O-N 3.42Å
256	C	98.5	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-72.1	-34.6	173.9	-72.2	0	0	0	0	112.8	I93 I116 F120 L252 L253 G254 A259 A260	I93-C256 HydrophobicContact CD1-CB 3.39Å; I93-C256 HydrophobicContact CG1-CB 3.79Å; I93-C256 HydrophobicContact CG2-CB 4.45Å; I116-C256 HydrophobicContact CG2-CB 3.81Å; F120-C256 HydrophobicContact CB-CB 4.45Å; F120-C256 HydrophobicContact CD2-CB 4.46Å; L252-C256 WeakPolarHBondContact O-CB 3.48Å; L252-C256 PolarHBondContact O-N 3.29Å; L252-C256 PolarHBondContact O-SG 3.2Å; L252-C256 VanDerWaalsContact O-SG 3.34Å; L253-C256 PolarHBondContact O-N 3.1Å; G254-C256 VanDerWaalsContact C-N 3.29Å; G254-C256 PolarHBondContact O-N 2.88Å; C256-A259 PolarHBondContact O-N 3.05Å; C256-A260 PolarHBondContact O-N 2.87Å
257	C	98.3	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.8	-44	171	-68.9	0	0	0	0	111.3	V96 L253 G254 A260 L261 A290	V96-C257 HydrophobicContact CG1-CB 4.1Å; V96-C257 HydrophobicContact CG2-CB 4.49Å; L253-C257 PolarHBondContact O-N 3.44Å; L253-C257 PolarHBondContact O-SG 2.72Å; G254-C257 WeakPolarHBondContact O-CB 3.35Å; G254-C257 PolarHBondContact O-N 3.46Å; G254-C257 VanDerWaalsContact O-N 3.12Å; C257-A260 PolarHBondContact O-N 3.29Å; C257-L261 PolarHBondContact O-N 3.23Å; C257-A290 HydrophobicContact CB-CB 4.39Å; C257-A290 WeakPolarHBondContact CB-O 3.31Å
258	E	98.2	Very high	95.2	Very high	25 Å²	25	12 Å²	12	12%	0.117	6%	0.057	C	C	.	.	H	α-helix	trans	-58.2	-50	172.3	176	175.5	-164.4	0	0	111.6	V186 G254 S255 A260 L261 I262 F287 K291	V186-E258 HydrophobicContact CG1-CB 4.43Å; V186-E258 HydrophobicContact CG1-CG 4.19Å; V186-E258 WeakPolarHBondContact CG1-OE2 3.4Å; G254-E258 PolarHBondContact O-N 2.91Å; S255-E258 PolarHBondContact O-N 3.09Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.32Å; E258-L261 PolarHBondContact O-N 2.9Å; E258-I262 HydrophobicContact CG-CD1 3.89Å; E258-I262 WeakPolarHBondContact O-CG1 3.37Å; E258-I262 PolarHBondContact O-N 3.08Å; E258-F287 HydrophobicContact CG-CB 4.02Å; E258-K291 HydrophobicContact CB-CB 4.11Å; E258-K291 WeakPolarHBondContact OE2-CD 3.29Å; E258-K291 WeakPolarHBondContact OE2-CE 3.45Å; E258-K291 IonicContact OE2-NZ 2.65Å; E258-K291 PolarHBondContact OE2-NZ 3.13Å
259	A	98.4	Very high	94.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-37.9	178.3	0	0	0	0	0	113.1	I116 V183 V187 S255 C256 L261 I262 L263	I116-A259 HydrophobicContact CD1-CB 4.07Å; I116-A259 HydrophobicContact CG2-CB 4.38Å; V183-A259 HydrophobicContact CG1-CB 4.03Å; V183-A259 HydrophobicContact CG2-CB 4.28Å; V187-A259 HydrophobicContact CG2-CB 4.09Å; S255-A259 VanDerWaalsContact O-CB 3.27Å; S255-A259 WeakPolarHBondContact O-CB 3.45Å; S255-A259 PolarHBondContact O-N 3.42Å; C256-A259 PolarHBondContact O-N 3.05Å; A259-L261 VanDerWaalsContact C-N 3.3Å; A259-L261 PolarHBondContact O-N 2.83Å; A259-I262 PolarHBondContact O-N 3.34Å; A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.41Å
260	A	97	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-37.9	175.3	0	0	0	0	0	111.9	I93 H113 C256 C257 E258 T264	I93-A260 HydrophobicContact CG2-CB 4.14Å; H113-A260 PolarHBondContact NE2-O 3.33Å; C256-A260 PolarHBondContact O-N 2.87Å; C257-A260 PolarHBondContact O-N 3.29Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.32Å; A260-T264 PolarHBondContact O-N 2.97Å; A260-T264 PolarHBondContact O-OG1 3.03Å
261	L	94.9	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.4	-37.8	174.6	-66.3	-163.2	0	0	0	112.9	V96 Y100 C257 E258 A259 L263 T264 E265 F286 F287 A290	V96-L261 HydrophobicContact CG1-CD2 4.22Å; V96-L261 HydrophobicContact CG1-CG 4.26Å; Y100-L261 HydrophobicContact CD2-CD1 4.31Å; Y100-L261 HydrophobicContact CD2-CD2 3.34Å; Y100-L261 HydrophobicContact CD2-CG 4.5Å; Y100-L261 HydrophobicContact CE2-CD1 3.92Å; Y100-L261 HydrophobicContact CE2-CD2 3.72Å; Y100-L261 HydrophobicContact CG-CD2 4.29Å; C257-L261 PolarHBondContact O-N 3.23Å; E258-L261 PolarHBondContact O-N 2.9Å; A259-L261 VanDerWaalsContact C-N 3.3Å; A259-L261 PolarHBondContact O-N 2.83Å; L261-L263 VanDerWaalsContact C-N 3.25Å; L261-L263 PolarHBondContact O-N 3.39Å; L261-T264 CarbonylContact O-C 3.41Å; L261-T264 WeakPolarHBondContact O-CA 3.34Å; L261-T264 WeakPolarHBondContact O-CB 3.3Å; L261-T264 PolarHBondContact O-N 2.98Å; L261-E265 PolarHBondContact O-N 3.46Å; L261-F286 HydrophobicContact CD1-CB 4.25Å; L261-F287 HydrophobicContact CB-CD1 3.74Å; L261-F287 HydrophobicContact CB-CE1 3.94Å; L261-A290 HydrophobicContact CD1-CB 3.46Å; L261-A290 VanDerWaalsContact CD1-CB 3.46Å; L261-A290 HydrophobicContact CG-CB 4.04Å
262	I	96.3	Very high	92.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-57.4	-42	173.9	-68.8	164.3	0	0	0	110.7	H180 N182 V183 V186 E258 A259 T264 E265 K266 F287	H180-I262 WeakPolarHBondContact CE1-CG2 3.42Å; H180-I262 VanDerWaalsContact NE2-CG2 3.34Å; H180-I262 WeakPolarHBondContact NE2-CG2 3.31Å; N182-I262 HydrophobicContact CB-CG2 4.4Å; N182-I262 WeakPolarHBondContact ND2-CD1 3.29Å; V183-I262 HydrophobicContact CG2-CB 4.1Å; V183-I262 HydrophobicContact CG2-CG2 3.74Å; V186-I262 HydrophobicContact CG2-CD1 4.32Å; E258-I262 HydrophobicContact CG-CD1 3.89Å; E258-I262 WeakPolarHBondContact O-CG1 3.37Å; E258-I262 PolarHBondContact O-N 3.08Å; A259-I262 PolarHBondContact O-N 3.34Å; I262-T264 VanDerWaalsContact C-N 3.29Å; I262-T264 PolarHBondContact O-N 3.23Å; I262-E265 PolarHBondContact O-N 2.93Å; I262-K266 PolarHBondContact O-N 3.1Å; I262-F287 HydrophobicContact CB-CE1 4.4Å; I262-F287 HydrophobicContact CB-CZ 4.35Å; I262-F287 HydrophobicContact CG1-CD1 4Å; I262-F287 HydrophobicContact CG1-CD2 4.03Å; I262-F287 HydrophobicContact CG1-CE1 3.86Å; I262-F287 HydrophobicContact CG1-CE2 3.89Å; I262-F287 HydrophobicContact CG1-CG 4.09Å; I262-F287 HydrophobicContact CG1-CZ 3.79Å
263	L	95.4	Very high	90.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-34.2	175.2	-68.7	166.1	0	0	0	112.5	L109 Q112 I116 H180 V183 A259 L261 H267	L109-L263 HydrophobicContact CD1-CB 4.2Å; Q112-L263 HydrophobicContact CB-CD1 4.02Å; I116-L263 HydrophobicContact CD1-CD1 4.04Å; I116-L263 HydrophobicContact CG1-CD1 3.5Å; I116-L263 VanDerWaalsContact CG1-CD1 3.5Å; H180-L263 HydrophobicContact CB-CD2 4.41Å; V183-L263 HydrophobicContact CG2-CD2 4.12Å; V183-L263 HydrophobicContact CG2-CG 4Å; A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 3.41Å; L261-L263 VanDerWaalsContact C-N 3.25Å; L261-L263 PolarHBondContact O-N 3.39Å; L263-H267 WeakPolarHBondContact O-CB 3.45Å; L263-H267 PolarHBondContact O-N 3.32Å
264	T	91.9	Very high	88.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-45.3	177.3	-51.9	0	0	0	0	110.8	A101 L109 H113 A260 L261 I262 H267 I268 W283	A101-T264 HydrophobicContact CB-CG2 4.37Å; L109-T264 HydrophobicContact CD2-CG2 4.22Å; H113-T264 PolarHBondContact CE1-OG1 3.15Å; H113-T264 PolarHBondContact NE2-OG1 3.48Å; A260-T264 PolarHBondContact O-N 2.97Å; A260-T264 PolarHBondContact O-OG1 3.03Å; L261-T264 CarbonylContact O-C 3.41Å; L261-T264 WeakPolarHBondContact O-CA 3.34Å; L261-T264 WeakPolarHBondContact O-CB 3.3Å; L261-T264 PolarHBondContact O-N 2.98Å; I262-T264 VanDerWaalsContact C-N 3.29Å; I262-T264 PolarHBondContact O-N 3.23Å; T264-H267 WeakPolarHBondContact O-CB 3.24Å; T264-H267 PolarHBondContact O-N 3.48Å; T264-I268 HydrophobicContact CG2-CD1 3.75Å; T264-I268 WeakPolarHBondContact O-CB 3.12Å; T264-I268 WeakPolarHBondContact O-CD1 3.21Å; T264-I268 VanDerWaalsContact O-CG1 3.24Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 2.64Å; T264-W283 HydrophobicContact CG2-CH2 4.43Å
265	E	91.1	Very high	86.5	Confident	50 Å²	50	35.7 Å²	35.7	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-54.1	-56	172.5	179	-83.2	138.2	0	0	110.6	L261 I262 H267 I268 S269 W283 F287	L261-E265 PolarHBondContact O-N 3.46Å; I262-E265 PolarHBondContact O-N 2.93Å; E265-H267 PolarHBondContact O-N 3.4Å; E265-I268 PolarHBondContact O-N 3.13Å; E265-I268 VanDerWaalsContact O-N 3.07Å; E265-S269 WeakPolarHBondContact O-CB 3.2Å; E265-S269 PolarHBondContact O-N 3.28Å; E265-S269 PolarHBondContact O-OG 3.16Å; E265-S269 VanDerWaalsContact O-OG 3.1Å; E265-S269 PolarHBondContact OE1-OG 3.44Å; E265-W283 HydrophobicContact CB-CD2 3.54Å; E265-W283 HydrophobicContact CB-CE3 3.73Å; E265-W283 HydrophobicContact CB-CG 4.02Å; E265-W283 HydrophobicContact CB-CH2 4.2Å; E265-W283 HydrophobicContact CB-CZ2 4.03Å; E265-W283 HydrophobicContact CB-CZ3 4.04Å; E265-W283 HydrophobicContact CG-CB 4.13Å; E265-W283 VanDerWaalsContact CG-CD1 3.45Å; E265-W283 HydrophobicContact CG-CD2 3.5Å; E265-W283 VanDerWaalsContact CG-CD2 3.5Å; E265-W283 HydrophobicContact CG-CE3 4.2Å; E265-W283 HydrophobicContact CG-CG 3.44Å; E265-W283 VanDerWaalsContact CG-CG 3.44Å; E265-W283 HydrophobicContact CG-CZ2 4.31Å; E265-F287 HydrophobicContact CB-CE1 4.13Å; E265-F287 HydrophobicContact CB-CZ 3.81Å; E265-F287 HydrophobicContact CG-CZ 4.06Å
266	K	90.6	Very high	84.5	Confident	75 Å²	75	38.4 Å²	38.4	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-56.9	-39.2	178.9	-179.4	174.5	-178.4	174.2	0	112.1	H179 H180 I262 N270	H179-K266 PolarHBondContact O-NZ 2.85Å; H180-K266 WeakPolarHBondContact CD2-CD 3.36Å; I262-K266 PolarHBondContact O-N 3.1Å; K266-N270 PolarHBondContact O-N 3.34Å; K266-N270 PolarHBondContact O-ND2 3.45Å
267	H	89	Confident	82.3	Confident	31 Å²	31	44.2 Å²	44.2	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-48.2	177.4	177.9	-87.9	0	0	0	111.4	S106 L109 L263 T264 E265 N270 L271	S106-H267 WeakPolarHBondContact CB-NE2 3.37Å; S106-H267 PolarHBondContact OG-CD2 2.92Å; S106-H267 PolarHBondContact OG-NE2 2.98Å; L109-H267 HydrophobicContact CD1-CB 4.07Å; L109-H267 HydrophobicContact CD2-CB 4.05Å; L109-H267 HydrophobicContact CG-CB 4.45Å; L263-H267 WeakPolarHBondContact O-CB 3.45Å; L263-H267 PolarHBondContact O-N 3.32Å; T264-H267 WeakPolarHBondContact O-CB 3.24Å; T264-H267 PolarHBondContact O-N 3.48Å; E265-H267 PolarHBondContact O-N 3.4Å; H267-N270 PolarHBondContact O-N 2.91Å; H267-L271 PolarHBondContact O-N 3.44Å
268	I	84	Confident	80.1	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-44.2	180	-69.7	164.7	0	0	0	111.1	T264 E265 N270 L271 I273 W283 F410 I412	T264-I268 HydrophobicContact CG2-CD1 3.75Å; T264-I268 WeakPolarHBondContact O-CB 3.12Å; T264-I268 WeakPolarHBondContact O-CD1 3.21Å; T264-I268 VanDerWaalsContact O-CG1 3.24Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 2.64Å; E265-I268 PolarHBondContact O-N 3.13Å; E265-I268 VanDerWaalsContact O-N 3.07Å; I268-N270 PolarHBondContact O-N 3.37Å; I268-N270 VanDerWaalsContact O-N 3.09Å; I268-L271 WeakPolarHBondContact O-CB 3.36Å; I268-L271 PolarHBondContact O-N 3.04Å; I268-I273 HydrophobicContact CG2-CD1 3.55Å; I268-I273 WeakPolarHBondContact O-CD1 3.22Å; I268-W283 HydrophobicContact CB-CZ2 4.5Å; I268-W283 HydrophobicContact CD1-CH2 3.59Å; I268-W283 HydrophobicContact CD1-CZ2 3.63Å; I268-W283 HydrophobicContact CG2-CZ2 4.49Å; I268-F410 HydrophobicContact CD1-CE1 3.61Å; I268-F410 HydrophobicContact CD1-CZ 3.84Å; I268-F410 HydrophobicContact CG2-CZ 3.81Å; I268-I412 HydrophobicContact CD1-CD1 3.65Å; I268-I412 HydrophobicContact CG1-CD1 3.64Å; I268-I412 HydrophobicContact CG2-CD1 4.31Å
269	S	84	Confident	78.3	Confident	70 Å²	70	57.1 Å²	57.1	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-20.2	177.7	-64.7	0	0	0	0	113.1	E265	E265-S269 WeakPolarHBondContact O-CB 3.2Å; E265-S269 PolarHBondContact O-N 3.28Å; E265-S269 PolarHBondContact O-OG 3.16Å; E265-S269 VanDerWaalsContact O-OG 3.1Å; E265-S269 PolarHBondContact OE1-OG 3.44Å
270	N	84.3	Confident	76.7	Confident	124 Å²	124	65.8 Å²	65.8	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.6	175.2	-71.7	-51	0	0	0	114.2	K266 H267 I268	K266-N270 PolarHBondContact O-N 3.34Å; K266-N270 PolarHBondContact O-ND2 3.45Å; H267-N270 PolarHBondContact O-N 2.91Å; I268-N270 PolarHBondContact O-N 3.37Å; I268-N270 VanDerWaalsContact O-N 3.09Å
271	L	79.9	Confident	75.7	Confident	38 Å²	38	66.6 Å²	66.6	20%	0.199	34%	0.344	C	S	.	.	S	Bend	trans	-77.1	145.3	177.1	-68.3	172	0	0	0	110.2	T104 H267 I268 I273 I420	T104-L271 HydrophobicContact CG2-CD1 3.68Å; H267-L271 PolarHBondContact O-N 3.44Å; I268-L271 WeakPolarHBondContact O-CB 3.36Å; I268-L271 PolarHBondContact O-N 3.04Å; L271-I273 HydrophobicContact CB-CD1 4.14Å; L271-I273 HydrophobicContact CB-CG1 3.72Å; L271-I273 PolarHBondContact O-N 3.38Å; L271-I420 HydrophobicContact CD1-CD1 4.03Å; L271-I420 HydrophobicContact CD1-CG2 4.5Å; L271-I420 HydrophobicContact CD2-CD1 3.9Å; L271-I420 HydrophobicContact CG-CD1 4.39Å
272	P	70	Confident	75.4	Confident	113 Å²	113	71 Å²	71	73%	0.734	37%	0.368	S	S	*	.			trans	-75.5	71.7	172.6	32.4	-33.3	0	0	0	109.3
273	I	65.9	Low	75.1	Confident	35 Å²	35	72.2 Å²	72.2	18%	0.179	37%	0.372	C	S	.	.			trans	-79.5	127.9	-178.2	-59.2	173.1	0	0	0	108.4	I268 L271 P275 I420 I422	I268-I273 HydrophobicContact CG2-CD1 3.55Å; I268-I273 WeakPolarHBondContact O-CD1 3.22Å; L271-I273 HydrophobicContact CB-CD1 4.14Å; L271-I273 HydrophobicContact CB-CG1 3.72Å; L271-I273 PolarHBondContact O-N 3.38Å; I273-P275 VanDerWaalsContact O-CD 3.3Å; I273-P275 WeakPolarHBondContact O-CD 3.4Å; I273-I420 HydrophobicContact CG1-CG2 4.46Å; I273-I422 HydrophobicContact CD1-CD1 4.15Å; I273-I422 HydrophobicContact CG2-CD1 3.81Å; I273-I422 HydrophobicContact CG2-CG1 3.97Å
274	I	53.7	Low	75	Confident	97 Å²	97	78 Å²	78	50%	0.497	40%	0.403	S	S	.	.			trans	-88.9	105.8	167.7	-58.1	169.9	0	0	0	106.1	T276 I420 H421	I274-T276 PolarHBondContact O-N 2.98Å; I274-I420 PolarHBondContact N-O 3.12Å; I274-H421 PolarHBondContact O-ND1 2.89Å
275	P	56	Low	75.1	Confident	81 Å²	81	81.1 Å²	81.1	53%	0.526	42%	0.42	S	S	.	.			trans	-67.6	111.9	-177.1	-8.6	24	0	0	0	108.1	I273	I273-P275 VanDerWaalsContact O-CD 3.3Å; I273-P275 WeakPolarHBondContact O-CD 3.4Å
276	T	56.8	Low	75.2	Confident	57 Å²	57	79.1 Å²	79.1	35%	0.35	41%	0.41	S	S	.	.	S	Bend	trans	-84.1	-25.2	178.3	64.4	0	0	0	0	112.1	I274 H421 I422	I274-T276 PolarHBondContact O-N 2.98Å; T276-H421 HydrophobicContact CG2-CB 4.15Å; T276-H421 VanDerWaalsContact CG2-ND1 3.29Å; T276-H421 WeakPolarHBondContact CG2-ND1 3.4Å; T276-I422 PolarHBondContact OG1-O 3.09Å
277	N	52.2	Low	75.5	Confident	122 Å²	122	76.2 Å²	76.2	65%	0.652	40%	0.398	S	S	*	.	S	Bend	trans	-141.4	146.8	171.8	-85.2	-28.5	0	0	0	110.2	I279	N277-I279 PolarHBondContact O-N 3.44Å
278	K	53.3	Low	75.9	Confident	216 Å²	216	76.8 Å²	76.8	94%	0.939	41%	0.405	S	S	*	.	S	Bend	trans	-70.5	36.9	-174.6	-115.9	-176.1	-173.9	-178.4	0	114.4
279	I	59.6	Low	76.5	Confident	81 Å²	81	76.6 Å²	76.6	42%	0.415	40%	0.404	S	S	.	.			trans	-108.4	93	-179.5	-54.1	175.7	0	0	0	107.6	N277 E424	N277-I279 PolarHBondContact O-N 3.44Å; I279-E424 WeakPolarHBondContact CD1-OE1 3.45Å
280	Y	65.4	Low	77.2	Confident	181 Å²	181	73.2 Å²	73.2	71%	0.71	38%	0.381	S	S	*	.			trans	-80.6	128.7	165.5	-100	-90.3	0	0	0	108.1
281	P	76.3	Confident	77.9	Confident	17 Å²	17	70.3 Å²	70.3	11%	0.11	36%	0.362	C	S	.	.			trans	-63.7	137.7	176.6	28.1	-36	0	0	0	110.1	W283 F286 F410	P281-W283 VanDerWaalsContact C-N 3.26Å; P281-W283 HydrophobicContact CG-CD2 4.35Å; P281-W283 HydrophobicContact CG-CG 4.5Å; P281-W283 HydrophobicContact CG-CZ2 4.05Å; P281-W283 PolarHBondContact O-N 3.06Å; P281-F286 HydrophobicContact CB-CE1 4.22Å; P281-F286 HydrophobicContact CB-CE2 4.11Å; P281-F286 HydrophobicContact CB-CZ 3.78Å; P281-F410 HydrophobicContact CB-CB 4.36Å; P281-F410 HydrophobicContact CB-CD2 3.84Å; P281-F410 HydrophobicContact CB-CE2 4.4Å; P281-F410 HydrophobicContact CB-CG 4.05Å; P281-F410 HydrophobicContact CG-CD2 3.42Å; P281-F410 VanDerWaalsContact CG-CD2 3.42Å; P281-F410 HydrophobicContact CG-CE2 3.49Å; P281-F410 VanDerWaalsContact CG-CE2 3.49Å; P281-F410 HydrophobicContact CG-CG 3.99Å; P281-F410 HydrophobicContact CG-CZ 4.16Å
282	D	86.7	Confident	78.7	Confident	94 Å²	94	74.7 Å²	74.7	50%	0.503	38%	0.376	S	S	.	.			trans	-74	86.4	167.6	-179.4	6.1	0	0	0	109.1	N284 N285 F286	D282-N284 PolarHBondContact O-N 2.84Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 3.28Å; D282-N285 HydrophobicContact CB-CB 4.15Å; D282-N285 WeakPolarHBondContact O-CB 3.34Å; D282-N285 PolarHBondContact O-N 3.49Å; D282-N285 VanDerWaalsContact O-N 3.1Å; D282-N285 PolarHBondContact OD1-N 3.27Å; D282-N285 WeakPolarHBondContact OD2-CB 3.21Å; D282-F286 WeakPolarHBondContact O-CD1 3.35Å; D282-F286 PolarHBondContact O-N 3.23Å; D282-F286 VanDerWaalsContact O-N 3.15Å
283	W	90.8	Very high	80.1	Confident	25 Å²	25	69.3 Å²	69.3	10%	0.095	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-32.3	-179.2	-77.6	112.3	0	0	0	113	T264 E265 I268 P281 N285 F286 F287 F410	T264-W283 HydrophobicContact CG2-CH2 4.43Å; E265-W283 HydrophobicContact CB-CD2 3.54Å; E265-W283 HydrophobicContact CB-CE3 3.73Å; E265-W283 HydrophobicContact CB-CG 4.02Å; E265-W283 HydrophobicContact CB-CH2 4.2Å; E265-W283 HydrophobicContact CB-CZ2 4.03Å; E265-W283 HydrophobicContact CB-CZ3 4.04Å; E265-W283 HydrophobicContact CG-CB 4.13Å; E265-W283 VanDerWaalsContact CG-CD1 3.45Å; E265-W283 HydrophobicContact CG-CD2 3.5Å; E265-W283 VanDerWaalsContact CG-CD2 3.5Å; E265-W283 HydrophobicContact CG-CE3 4.2Å; E265-W283 HydrophobicContact CG-CG 3.44Å; E265-W283 VanDerWaalsContact CG-CG 3.44Å; E265-W283 HydrophobicContact CG-CZ2 4.31Å; I268-W283 HydrophobicContact CB-CZ2 4.5Å; I268-W283 HydrophobicContact CD1-CH2 3.59Å; I268-W283 HydrophobicContact CD1-CZ2 3.63Å; I268-W283 HydrophobicContact CG2-CZ2 4.49Å; P281-W283 VanDerWaalsContact C-N 3.26Å; P281-W283 HydrophobicContact CG-CD2 4.35Å; P281-W283 HydrophobicContact CG-CG 4.5Å; P281-W283 HydrophobicContact CG-CZ2 4.05Å; P281-W283 PolarHBondContact O-N 3.06Å; W283-N285 VanDerWaalsContact C-N 3.32Å; W283-N285 PolarHBondContact O-N 3.19Å; W283-F286 HydrophobicContact CE3-CB 4.28Å; W283-F286 HydrophobicContact CE3-CD2 4.22Å; W283-F286 HydrophobicContact CZ3-CD2 4.2Å; W283-F286 WeakPolarHBondContact O-CB 3.37Å; W283-F286 PolarHBondContact O-N 3.02Å; W283-F286 VanDerWaalsContact O-N 3.14Å; W283-F287 HydrophobicContact CB-CE1 4.08Å; W283-F287 HydrophobicContact CB-CE2 3.89Å; W283-F287 HydrophobicContact CB-CZ 3.61Å; W283-F287 HydrophobicContact CD2-CE1 4.31Å; W283-F287 HydrophobicContact CD2-CZ 4.39Å; W283-F287 HydrophobicContact CE3-CD1 4.44Å; W283-F287 AromaticContact CE3-CE1 3.63Å; W283-F287 HydrophobicContact CE3-CE1 3.63Å; W283-F287 HydrophobicContact CE3-CZ 4.14Å; W283-F287 HydrophobicContact CG-CZ 4.23Å; W283-F287 HydrophobicContact CZ3-CE1 4.43Å; W283-F287 WeakPolarHBondContact O-CB 3.48Å; W283-F287 WeakPolarHBondContact O-CD1 3.25Å; W283-F287 WeakPolarHBondContact O-CD2 3.4Å; W283-F287 WeakPolarHBondContact O-CG 3.44Å; W283-F287 PolarHBondContact O-N 2.69Å; W283-F410 HydrophobicContact CH2-CE1 4.11Å; W283-F410 AromaticContact CZ2-CE1 3.99Å; W283-F410 HydrophobicContact CZ2-CE1 3.99Å; W283-F410 HydrophobicContact CZ2-CZ 4.07Å
284	N	93.7	Very high	81.6	Confident	123 Å²	123	67.6 Å²	67.6	66%	0.658	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-40	177.9	-67.6	-37.1	0	0	0	111.3	D282 S288	D282-N284 PolarHBondContact O-N 2.84Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 3.28Å; N284-S288 WeakPolarHBondContact O-CB 3.18Å; N284-S288 PolarHBondContact O-N 3.39Å
285	N	93.6	Very high	83.8	Confident	66 Å²	66	64.1 Å²	64.1	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-43.3	172.8	-172.9	45.7	0	0	0	111.2	D282 W283 F287 S288 I289	D282-N285 HydrophobicContact CB-CB 4.15Å; D282-N285 WeakPolarHBondContact O-CB 3.34Å; D282-N285 PolarHBondContact O-N 3.49Å; D282-N285 VanDerWaalsContact O-N 3.1Å; D282-N285 PolarHBondContact OD1-N 3.27Å; D282-N285 WeakPolarHBondContact OD2-CB 3.21Å; W283-N285 VanDerWaalsContact C-N 3.32Å; W283-N285 PolarHBondContact O-N 3.19Å; N285-F287 PolarHBondContact O-N 2.59Å; N285-S288 PolarHBondContact O-N 2.69Å; N285-I289 WeakPolarHBondContact ND2-CD1 3.46Å; N285-I289 WeakPolarHBondContact O-CD1 3.42Å; N285-I289 VanDerWaalsContact O-CG1 3.27Å; N285-I289 WeakPolarHBondContact O-CG1 3.41Å; N285-I289 PolarHBondContact O-N 2.8Å
286	F	94.2	Very high	85.8	Confident	9 Å²	9	61 Å²	61	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-43.7	179.3	-75	37.7	0	0	0	111.3	Y100 L261 P281 D282 W283 I289 A290 N406 F410	Y100-F286 HydrophobicContact CD1-CD2 4.05Å; Y100-F286 AromaticContact CD1-CE2 3.88Å; Y100-F286 HydrophobicContact CD1-CE2 3.88Å; Y100-F286 AromaticContact CE1-CD2 3.59Å; Y100-F286 HydrophobicContact CE1-CD2 3.59Å; Y100-F286 AromaticContact CE1-CE2 3.48Å; Y100-F286 HydrophobicContact CE1-CE2 3.48Å; Y100-F286 VanDerWaalsContact CE1-CE2 3.48Å; L261-F286 HydrophobicContact CD1-CB 4.25Å; P281-F286 HydrophobicContact CB-CE1 4.22Å; P281-F286 HydrophobicContact CB-CE2 4.11Å; P281-F286 HydrophobicContact CB-CZ 3.78Å; D282-F286 WeakPolarHBondContact O-CD1 3.35Å; D282-F286 PolarHBondContact O-N 3.23Å; D282-F286 VanDerWaalsContact O-N 3.15Å; W283-F286 HydrophobicContact CE3-CB 4.28Å; W283-F286 HydrophobicContact CE3-CD2 4.22Å; W283-F286 HydrophobicContact CZ3-CD2 4.2Å; W283-F286 WeakPolarHBondContact O-CB 3.37Å; W283-F286 PolarHBondContact O-N 3.02Å; W283-F286 VanDerWaalsContact O-N 3.14Å; F286-I289 PolarHBondContact O-N 2.72Å; F286-A290 WeakPolarHBondContact O-CB 3.4Å; F286-A290 PolarHBondContact O-N 3.25Å; F286-N406 HydrophobicContact CD1-CB 4.12Å; F286-N406 VanDerWaalsContact CD1-ND2 3.35Å; F286-N406 WeakPolarHBondContact CD1-ND2 3.33Å; F286-N406 HydrophobicContact CD2-CB 4.23Å; F286-N406 HydrophobicContact CE1-CB 3.58Å; F286-N406 WeakPolarHBondContact CE1-ND2 3.47Å; F286-N406 WeakPolarHBondContact CE1-OD1 3.36Å; F286-N406 HydrophobicContact CE2-CB 3.72Å; F286-N406 HydrophobicContact CG-CB 4.43Å; F286-N406 HydrophobicContact CZ-CB 3.37Å; F286-F410 HydrophobicContact CE2-CB 4.28Å; F286-F410 HydrophobicContact CZ-CB 4.29Å
287	F	96.5	Very high	87.8	Confident	14 Å²	14	58.5 Å²	58.5	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-48.3	176	-61	-17.4	0	0	0	111.2	E258 L261 I262 E265 W283 N285 I289 A290 K291	E258-F287 HydrophobicContact CG-CB 4.02Å; L261-F287 HydrophobicContact CB-CD1 3.74Å; L261-F287 HydrophobicContact CB-CE1 3.94Å; I262-F287 HydrophobicContact CB-CE1 4.4Å; I262-F287 HydrophobicContact CB-CZ 4.35Å; I262-F287 HydrophobicContact CG1-CD1 4Å; I262-F287 HydrophobicContact CG1-CD2 4.03Å; I262-F287 HydrophobicContact CG1-CE1 3.86Å; I262-F287 HydrophobicContact CG1-CE2 3.89Å; I262-F287 HydrophobicContact CG1-CG 4.09Å; I262-F287 HydrophobicContact CG1-CZ 3.79Å; E265-F287 HydrophobicContact CB-CE1 4.13Å; E265-F287 HydrophobicContact CB-CZ 3.81Å; E265-F287 HydrophobicContact CG-CZ 4.06Å; W283-F287 HydrophobicContact CB-CE1 4.08Å; W283-F287 HydrophobicContact CB-CE2 3.89Å; W283-F287 HydrophobicContact CB-CZ 3.61Å; W283-F287 HydrophobicContact CD2-CE1 4.31Å; W283-F287 HydrophobicContact CD2-CZ 4.39Å; W283-F287 HydrophobicContact CE3-CD1 4.44Å; W283-F287 AromaticContact CE3-CE1 3.63Å; W283-F287 HydrophobicContact CE3-CE1 3.63Å; W283-F287 HydrophobicContact CE3-CZ 4.14Å; W283-F287 HydrophobicContact CG-CZ 4.23Å; W283-F287 HydrophobicContact CZ3-CE1 4.43Å; W283-F287 WeakPolarHBondContact O-CB 3.48Å; W283-F287 WeakPolarHBondContact O-CD1 3.25Å; W283-F287 WeakPolarHBondContact O-CD2 3.4Å; W283-F287 WeakPolarHBondContact O-CG 3.44Å; W283-F287 PolarHBondContact O-N 2.69Å; N285-F287 PolarHBondContact O-N 2.59Å; F287-I289 PolarHBondContact O-N 3.17Å; F287-A290 PolarHBondContact O-N 3.36Å; F287-K291 WeakPolarHBondContact O-CB 3.49Å; F287-K291 PolarHBondContact O-N 3.45Å
288	S	97.3	Very high	89.9	Confident	42 Å²	42	53.2 Å²	53.2	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-44.1	178.6	-166.5	0	0	0	0	112.3	N284 N285 K291 R292	N284-S288 WeakPolarHBondContact O-CB 3.18Å; N284-S288 PolarHBondContact O-N 3.39Å; N285-S288 PolarHBondContact O-N 2.69Å; S288-K291 PolarHBondContact O-N 3.24Å; S288-R292 WeakPolarHBondContact O-CB 3.32Å; S288-R292 VanDerWaalsContact O-CG 3.29Å; S288-R292 WeakPolarHBondContact O-CG 3.45Å; S288-R292 PolarHBondContact O-N 3.14Å
289	I	97.3	Very high	91.9	Very high	3 Å²	3	43 Å²	43	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-46.2	178.8	-68.1	160.8	0	0	0	110.5	N285 F286 F287 K291 R292 F293 Y399 Q402 M403 N406	N285-I289 WeakPolarHBondContact ND2-CD1 3.46Å; N285-I289 WeakPolarHBondContact O-CD1 3.42Å; N285-I289 VanDerWaalsContact O-CG1 3.27Å; N285-I289 WeakPolarHBondContact O-CG1 3.41Å; N285-I289 PolarHBondContact O-N 2.8Å; F286-I289 PolarHBondContact O-N 2.72Å; F287-I289 PolarHBondContact O-N 3.17Å; I289-K291 VanDerWaalsContact C-N 3.33Å; I289-K291 PolarHBondContact O-N 2.84Å; I289-R292 PolarHBondContact O-N 3.21Å; I289-F293 WeakPolarHBondContact O-CB 3.43Å; I289-F293 PolarHBondContact O-N 3.27Å; I289-Y399 WeakPolarHBondContact CG2-O 3.31Å; I289-Q402 HydrophobicContact CD1-CB 4.01Å; I289-Q402 HydrophobicContact CG1-CB 4.49Å; I289-Q402 HydrophobicContact CG2-CB 4.09Å; I289-M403 HydrophobicContact CG2-CG 3.56Å; I289-N406 VanDerWaalsContact CD1-ND2 3.31Å; I289-N406 WeakPolarHBondContact CD1-ND2 3.4Å
290	A	97.5	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-38.8	177.9	0	0	0	0	0	112.6	V96 C257 L261 F286 F287 F293 G294	V96-A290 HydrophobicContact CG1-CB 4.14Å; C257-A290 HydrophobicContact CB-CB 4.39Å; C257-A290 WeakPolarHBondContact CB-O 3.31Å; L261-A290 HydrophobicContact CD1-CB 3.46Å; L261-A290 VanDerWaalsContact CD1-CB 3.46Å; L261-A290 HydrophobicContact CG-CB 4.04Å; F286-A290 WeakPolarHBondContact O-CB 3.4Å; F286-A290 PolarHBondContact O-N 3.25Å; F287-A290 PolarHBondContact O-N 3.36Å; A290-F293 PolarHBondContact O-N 2.82Å; A290-G294 PolarHBondContact O-N 2.79Å
291	K	98.4	Very high	95	Very high	63 Å²	63	31.6 Å²	31.6	27%	0.274	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-49.4	174.1	-167.1	-175.6	-162	145.5	0	111.4	G254 E258 F287 S288 I289 G294 S295	G254-K291 WeakPolarHBondContact CA-O 3.46Å; G254-K291 WeakPolarHBondContact O-CA 3.47Å; E258-K291 HydrophobicContact CB-CB 4.11Å; E258-K291 WeakPolarHBondContact OE2-CD 3.29Å; E258-K291 WeakPolarHBondContact OE2-CE 3.45Å; E258-K291 IonicContact OE2-NZ 2.65Å; E258-K291 PolarHBondContact OE2-NZ 3.13Å; F287-K291 WeakPolarHBondContact O-CB 3.49Å; F287-K291 PolarHBondContact O-N 3.45Å; S288-K291 PolarHBondContact O-N 3.24Å; I289-K291 VanDerWaalsContact C-N 3.33Å; I289-K291 PolarHBondContact O-N 2.84Å; K291-G294 PolarHBondContact O-N 3.36Å; K291-S295 VanDerWaalsContact O-CB 3.31Å; K291-S295 WeakPolarHBondContact O-CB 3.38Å; K291-S295 PolarHBondContact O-N 2.87Å
292	R	98.4	Very high	95.7	Very high	129 Å²	129	30.9 Å²	30.9	49%	0.487	16%	0.156	S	C	.	.	H	α-helix	trans	-66.5	-39.1	-179.8	-71.5	173.1	177	177.9	-0.2	112	S288 I289 T296 Y399	S288-R292 WeakPolarHBondContact O-CB 3.32Å; S288-R292 VanDerWaalsContact O-CG 3.29Å; S288-R292 WeakPolarHBondContact O-CG 3.45Å; S288-R292 PolarHBondContact O-N 3.14Å; I289-R292 PolarHBondContact O-N 3.21Å; R292-T296 VanDerWaalsContact O-CB 3.27Å; R292-T296 WeakPolarHBondContact O-CB 3.33Å; R292-T296 PolarHBondContact O-N 3.36Å; R292-T296 PolarHBondContact O-OG1 3.37Å; R292-Y399 HydrophobicContact CB-CD1 4.06Å; R292-Y399 HydrophobicContact CB-CD2 3.92Å; R292-Y399 HydrophobicContact CB-CE1 3.88Å; R292-Y399 HydrophobicContact CB-CE2 3.7Å; R292-Y399 HydrophobicContact CB-CG 4.11Å; R292-Y399 HydrophobicContact CG-CE1 4.39Å
293	F	98.5	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-56.1	173.2	174.3	-94.9	0	0	0	111.1	I92 V96 I289 A290 S295 T296 W297 L396 F400 M403 L435 V439	I92-F293 HydrophobicContact CG2-CE1 4.04Å; V96-F293 HydrophobicContact CG2-CD1 4.02Å; V96-F293 HydrophobicContact CG2-CE1 3.9Å; I289-F293 WeakPolarHBondContact O-CB 3.43Å; I289-F293 PolarHBondContact O-N 3.27Å; A290-F293 PolarHBondContact O-N 2.82Å; F293-S295 VanDerWaalsContact C-N 3.33Å; F293-S295 PolarHBondContact O-N 2.91Å; F293-T296 PolarHBondContact O-N 3.45Å; F293-W297 HydrophobicContact CE1-CE3 4.4Å; F293-W297 HydrophobicContact CE2-CE3 4.5Å; F293-W297 AromaticContact CZ-CE3 3.84Å; F293-W297 HydrophobicContact CZ-CE3 3.84Å; F293-W297 HydrophobicContact CZ-CZ3 4.4Å; F293-W297 WeakPolarHBondContact O-CB 3.38Å; F293-W297 PolarHBondContact O-N 2.96Å; F293-L396 HydrophobicContact CD2-CD1 3.61Å; F293-L396 HydrophobicContact CE2-CD1 3.54Å; F293-L396 HydrophobicContact CE2-CG 4.29Å; F293-L396 HydrophobicContact CG-CD1 4.4Å; F293-L396 HydrophobicContact CZ-CD1 4.28Å; F293-F400 HydrophobicContact CD2-CB 4.3Å; F293-F400 HydrophobicContact CE2-CB 4.06Å; F293-F400 HydrophobicContact CE2-CD2 4.29Å; F293-M403 HydrophobicContact CB-SD 3.88Å; F293-M403 HydrophobicContact CD1-SD 4.08Å; F293-M403 HydrophobicContact CD2-SD 4.04Å; F293-M403 HydrophobicContact CG-SD 3.71Å; F293-L435 HydrophobicContact CE1-CD1 4.04Å; F293-L435 HydrophobicContact CE1-CD2 4.03Å; F293-L435 HydrophobicContact CE1-CG 4.39Å; F293-L435 HydrophobicContact CZ-CD1 3.81Å; F293-L435 HydrophobicContact CZ-CD2 3.96Å; F293-L435 HydrophobicContact CZ-CG 3.96Å; F293-V439 HydrophobicContact CE2-CG2 3.67Å; F293-V439 HydrophobicContact CZ-CG2 3.85Å
294	G	98.3	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-39.6	-179.1	0	0	0	0	0	112.8	L253 A290 K291 W297 A298	L253-G294 WeakPolarHBondContact CD2-O 3.21Å; A290-G294 PolarHBondContact O-N 2.79Å; K291-G294 PolarHBondContact O-N 3.36Å; G294-W297 PolarHBondContact O-N 3.23Å; G294-A298 PolarHBondContact O-N 2.96Å; G294-A298 VanDerWaalsContact O-N 3.1Å
295	S	98.3	Very high	95.9	Very high	24 Å²	24	21.1 Å²	21.1	17%	0.168	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-45.8	175.9	-176.4	0	0	0	0	112.3	G250 K291 F293 A298 C299	G250-S295 VanDerWaalsContact O-CA 3.29Å; G250-S295 WeakPolarHBondContact O-CA 3.47Å; G250-S295 WeakPolarHBondContact O-CB 3.44Å; K291-S295 VanDerWaalsContact O-CB 3.31Å; K291-S295 WeakPolarHBondContact O-CB 3.38Å; K291-S295 PolarHBondContact O-N 2.87Å; F293-S295 VanDerWaalsContact C-N 3.33Å; F293-S295 PolarHBondContact O-N 2.91Å; S295-A298 PolarHBondContact O-N 3.39Å; S295-C299 PolarHBondContact O-N 3.42Å; S295-C299 VanDerWaalsContact O-N 3.08Å; S295-C299 PolarHBondContact O-SG 2.88Å
296	T	98.4	Very high	95.7	Very high	15 Å²	15	18 Å²	18	9%	0.092	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-38.7	179.2	-53	0	0	0	0	111.3	R292 F293 C299 L300 L392 K395 L396 Y399	R292-T296 VanDerWaalsContact O-CB 3.27Å; R292-T296 WeakPolarHBondContact O-CB 3.33Å; R292-T296 PolarHBondContact O-N 3.36Å; R292-T296 PolarHBondContact O-OG1 3.37Å; F293-T296 PolarHBondContact O-N 3.45Å; T296-C299 PolarHBondContact O-N 2.63Å; T296-L300 WeakPolarHBondContact O-CB 3Å; T296-L300 PolarHBondContact O-N 3.28Å; T296-L392 HydrophobicContact CG2-CD2 4.21Å; T296-L392 WeakPolarHBondContact CG2-O 3.21Å; T296-K395 HydrophobicContact CG2-CB 4.12Å; T296-L396 HydrophobicContact CG2-CB 3.92Å; T296-L396 HydrophobicContact CG2-CD1 4.42Å; T296-Y399 WeakPolarHBondContact OG1-CE2 3.36Å
297	W	98	Very high	95.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-55.3	-53	173.7	178.4	-76.2	0	0	0	111	W5 P87 I92 L253 F293 G294 C299 L300 I301 L396 M438 V439 L442	W5-W297 AromaticContact CH2-CH2 3.99Å; W5-W297 HydrophobicContact CH2-CH2 3.99Å; W5-W297 HydrophobicContact CH2-CZ2 4.2Å; W5-W297 HydrophobicContact CZ3-CH2 4.44Å; P87-W297 HydrophobicContact CG-CZ2 3.79Å; I92-W297 HydrophobicContact CD1-CD2 4.4Å; I92-W297 HydrophobicContact CD1-CH2 3.9Å; I92-W297 HydrophobicContact CD1-CZ2 3.52Å; I92-W297 HydrophobicContact CD1-CZ3 4.43Å; I92-W297 HydrophobicContact CG1-CD2 4.39Å; I92-W297 HydrophobicContact CG1-CZ2 4.02Å; I92-W297 HydrophobicContact CG2-CD2 4.47Å; L253-W297 HydrophobicContact CD2-CB 4.42Å; L253-W297 HydrophobicContact CD2-CG 4.29Å; F293-W297 HydrophobicContact CE1-CE3 4.4Å; F293-W297 HydrophobicContact CE2-CE3 4.5Å; F293-W297 AromaticContact CZ-CE3 3.84Å; F293-W297 HydrophobicContact CZ-CE3 3.84Å; F293-W297 HydrophobicContact CZ-CZ3 4.4Å; F293-W297 WeakPolarHBondContact O-CB 3.38Å; F293-W297 PolarHBondContact O-N 2.96Å; G294-W297 PolarHBondContact O-N 3.23Å; W297-C299 VanDerWaalsContact C-N 3.34Å; W297-C299 PolarHBondContact O-N 2.77Å; W297-L300 PolarHBondContact O-N 2.98Å; W297-I301 HydrophobicContact CZ2-CD1 4.35Å; W297-I301 VanDerWaalsContact O-CG1 3.28Å; W297-I301 WeakPolarHBondContact O-CG1 2.92Å; W297-I301 PolarHBondContact O-N 3.42Å; W297-L396 HydrophobicContact CB-CD1 4.07Å; W297-L396 HydrophobicContact CE3-CD1 4.34Å; W297-L396 HydrophobicContact CE3-CD2 4.12Å; W297-M438 HydrophobicContact CH2-CB 3.86Å; W297-M438 HydrophobicContact CZ3-CB 4.36Å; W297-V439 HydrophobicContact CE3-CG2 4.34Å; W297-V439 HydrophobicContact CZ3-CG2 3.87Å; W297-L442 HydrophobicContact CD2-CD2 3.85Å; W297-L442 HydrophobicContact CE3-CD2 3.91Å; W297-L442 HydrophobicContact CG-CD2 4.42Å; W297-L442 HydrophobicContact CH2-CB 4.26Å; W297-L442 HydrophobicContact CH2-CD2 4.02Å; W297-L442 HydrophobicContact CZ2-CD2 4.01Å; W297-L442 HydrophobicContact CZ3-CB 4.49Å; W297-L442 HydrophobicContact CZ3-CD2 4Å
298	A	96.4	Very high	94.9	Very high	11 Å²	11	19 Å²	19	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-43.3	179.2	0	0	0	0	0	112.3	R249 L253 G294 S295 L300 I301 R302	R249-A298 HydrophobicContact CB-CB 4.12Å; L253-A298 HydrophobicContact CB-CB 4.21Å; L253-A298 HydrophobicContact CD2-CB 3.87Å; G294-A298 PolarHBondContact O-N 2.96Å; G294-A298 VanDerWaalsContact O-N 3.1Å; S295-A298 PolarHBondContact O-N 3.39Å; A298-L300 PolarHBondContact O-N 3.49Å; A298-I301 PolarHBondContact O-N 3.09Å; A298-R302 WeakPolarHBondContact O-CB 3.33Å; A298-R302 PolarHBondContact O-N 3.45Å
299	C	96.8	Very high	94.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-42.6	177.9	-63	0	0	0	0	111.9	V245 S295 T296 W297 R302 L303 L392	V245-C299 HydrophobicContact CG1-CB 4.22Å; S295-C299 PolarHBondContact O-N 3.42Å; S295-C299 VanDerWaalsContact O-N 3.08Å; S295-C299 PolarHBondContact O-SG 2.88Å; T296-C299 PolarHBondContact O-N 2.63Å; W297-C299 VanDerWaalsContact C-N 3.34Å; W297-C299 PolarHBondContact O-N 2.77Å; C299-R302 PolarHBondContact O-N 3.41Å; C299-L303 WeakPolarHBondContact O-CB 3.23Å; C299-L303 PolarHBondContact O-N 3.02Å; C299-L392 HydrophobicContact CB-CD1 4.06Å; C299-L392 HydrophobicContact CB-CD2 4.28Å
300	L	96.2	Very high	93.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.5	-38.6	-179.2	-175.1	59.1	0	0	0	112.3	T296 W297 A298 T304 L392 A393 L396 L442 C446	T296-L300 WeakPolarHBondContact O-CB 3Å; T296-L300 PolarHBondContact O-N 3.28Å; W297-L300 PolarHBondContact O-N 2.98Å; A298-L300 PolarHBondContact O-N 3.49Å; L300-T304 WeakPolarHBondContact O-CB 3.44Å; L300-T304 PolarHBondContact O-N 3.27Å; L300-T304 PolarHBondContact O-OG1 2.85Å; L300-L392 HydrophobicContact CB-CB 4.37Å; L300-L392 HydrophobicContact CD1-CB 3.95Å; L300-A393 HydrophobicContact CD2-CB 4.25Å; L300-L396 HydrophobicContact CD2-CD2 3.73Å; L300-L442 HydrophobicContact CB-CD2 4.3Å; L300-L442 HydrophobicContact CD2-CD2 3.89Å; L300-L442 HydrophobicContact CD2-CG 3.76Å; L300-L442 HydrophobicContact CG-CD1 4.38Å; L300-L442 HydrophobicContact CG-CD2 4.15Å; L300-L442 HydrophobicContact CG-CG 4.04Å; L300-C446 HydrophobicContact CD1-CB 3.94Å; L300-C446 VanDerWaalsContact CD1-SG 3.57Å
301	I	93.4	Very high	92.6	Very high	23 Å²	23	19.7 Å²	19.7	12%	0.118	9%	0.091	C	C	.	.	H	α-helix	trans	-58.5	-53.9	172.5	-69.5	-76.7	0	0	0	109.8	R86 W297 A298 L303 T304 E305 L442	R86-I301 HydrophobicContact CB-CD1 4.41Å; R86-I301 HydrophobicContact CG-CD1 4.44Å; W297-I301 HydrophobicContact CZ2-CD1 4.35Å; W297-I301 VanDerWaalsContact O-CG1 3.28Å; W297-I301 WeakPolarHBondContact O-CG1 2.92Å; W297-I301 PolarHBondContact O-N 3.42Å; A298-I301 PolarHBondContact O-N 3.09Å; I301-L303 VanDerWaalsContact C-N 3.32Å; I301-L303 PolarHBondContact O-N 3.41Å; I301-T304 PolarHBondContact O-N 3.16Å; I301-T304 VanDerWaalsContact O-N 3.11Å; I301-E305 HydrophobicContact CG2-CG 4.48Å; I301-E305 WeakPolarHBondContact O-CG 3.46Å; I301-E305 PolarHBondContact O-N 2.92Å; I301-L442 HydrophobicContact CD1-CD1 3.45Å; I301-L442 VanDerWaalsContact CD1-CD1 3.45Å; I301-L442 HydrophobicContact CD1-CD2 3.88Å; I301-L442 HydrophobicContact CD1-CG 4.29Å; I301-L442 HydrophobicContact CG1-CD1 4.14Å; I301-L442 HydrophobicContact CG1-CD2 3.95Å
302	R	91.7	Very high	91.5	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-56.9	-46.6	-179.5	176.9	59	179.9	-115.9	-8.3	111.6	W241 V245 A298 C299 T304 E305 E306 E349 E354 P355	W241-R302 HydrophobicContact CZ2-CG 4.2Å; V245-R302 HydrophobicContact CG1-CB 3.95Å; V245-R302 HydrophobicContact CG1-CG 3.88Å; V245-R302 HydrophobicContact CG2-CG 4.04Å; A298-R302 WeakPolarHBondContact O-CB 3.33Å; A298-R302 PolarHBondContact O-N 3.45Å; C299-R302 PolarHBondContact O-N 3.41Å; R302-T304 VanDerWaalsContact C-N 3.33Å; R302-T304 PolarHBondContact O-N 3.16Å; R302-E305 PolarHBondContact O-N 2.94Å; R302-E306 IonicContact CZ-OE1 2.7Å; R302-E306 IonicContact NE-OE1 2.77Å; R302-E306 PolarHBondContact NE-OE1 2.92Å; R302-E306 IonicContact NH2-OE1 3.91Å; R302-E306 WeakPolarHBondContact O-CG 3.41Å; R302-E306 PolarHBondContact O-N 3.14Å; R302-E349 WeakPolarHBondContact CD-OE1 3.47Å; R302-E349 IonicContact CZ-OE1 2.8Å; R302-E349 IonicContact NE-OE1 3.78Å; R302-E349 PolarHBondContact NE-OE1 3.35Å; R302-E349 IonicContact NH1-OE1 2.72Å; R302-E349 PolarHBondContact NH1-OE1 2.86Å; R302-E349 IonicContact NH1-OE2 3.72Å; R302-E349 PolarHBondContact NH1-OE2 2.84Å; R302-E354 VanDerWaalsContact NH2-CB 3.34Å; R302-P355 PolarHBondContact NH2-O 3.36Å
303	L	93.5	Very high	90.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.6	-45.9	176.5	-174.2	125	0	0	0	112.5	W241 C299 I301 E305 E306 R307 Y385 I388 G389 L392	W241-L303 HydrophobicContact CH2-CB 3.72Å; W241-L303 HydrophobicContact CH2-CD1 3.65Å; W241-L303 HydrophobicContact CH2-CG 4.21Å; W241-L303 HydrophobicContact CZ2-CB 4.17Å; W241-L303 HydrophobicContact CZ2-CD1 4.38Å; W241-L303 HydrophobicContact CZ3-CD1 3.83Å; C299-L303 WeakPolarHBondContact O-CB 3.23Å; C299-L303 PolarHBondContact O-N 3.02Å; I301-L303 VanDerWaalsContact C-N 3.32Å; I301-L303 PolarHBondContact O-N 3.41Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-E305 PolarHBondContact O-N 3.06Å; L303-E306 PolarHBondContact O-N 2.94Å; L303-R307 WeakPolarHBondContact O-CB 3.28Å; L303-R307 PolarHBondContact O-N 2.98Å; L303-Y385 HydrophobicContact CD1-CD1 4.03Å; L303-Y385 HydrophobicContact CD2-CD1 4.48Å; L303-Y385 HydrophobicContact CG-CD1 3.83Å; L303-Y385 HydrophobicContact CG-CE1 4.36Å; L303-I388 HydrophobicContact CD1-CB 3.74Å; L303-I388 HydrophobicContact CD1-CG2 3.46Å; L303-I388 VanDerWaalsContact CD1-CG2 3.46Å; L303-G389 VanDerWaalsContact CD2-CA 3.49Å; L303-L392 HydrophobicContact CD1-CD1 4.24Å
304	T	92	Very high	88.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-41.6	-178.4	-56.2	0	0	0	0	110.5	L300 I301 R302 R307 E308 D445	L300-T304 WeakPolarHBondContact O-CB 3.44Å; L300-T304 PolarHBondContact O-N 3.27Å; L300-T304 PolarHBondContact O-OG1 2.85Å; I301-T304 PolarHBondContact O-N 3.16Å; I301-T304 VanDerWaalsContact O-N 3.11Å; R302-T304 VanDerWaalsContact C-N 3.33Å; R302-T304 PolarHBondContact O-N 3.16Å; T304-R307 PolarHBondContact O-N 2.96Å; T304-E308 WeakPolarHBondContact O-CB 3.38Å; T304-E308 VanDerWaalsContact O-CG 3.26Å; T304-E308 WeakPolarHBondContact O-CG 3.39Å; T304-E308 PolarHBondContact O-N 3.45Å; T304-D445 HydrophobicContact CG2-CB 4.24Å
305	E	88.6	Confident	87.3	Confident	37 Å²	37	22.6 Å²	22.6	17%	0.173	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-41.7	178.8	-70.7	177.8	160.3	0	0	112.6	S84 I301 R302 L303 H309 Y347	S84-E305 WeakPolarHBondContact CB-OE1 3.28Å; S84-E305 PolarHBondContact OG-OE1 2.84Å; I301-E305 HydrophobicContact CG2-CG 4.48Å; I301-E305 WeakPolarHBondContact O-CG 3.46Å; I301-E305 PolarHBondContact O-N 2.92Å; R302-E305 PolarHBondContact O-N 2.94Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-E305 PolarHBondContact O-N 3.06Å; E305-H309 WeakPolarHBondContact O-CB 3.33Å; E305-H309 PolarHBondContact O-N 2.9Å; E305-Y347 HydrophobicContact CB-CE2 4.34Å
306	E	89.1	Confident	85.1	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-47.9	173.7	-74	-178.1	-158.6	0	0	111.7	W241 R302 L303 E308 H309 I310 Y347 T356 F357 Y385	W241-E306 PolarHBondContact NE1-OE1 2.88Å; W241-E306 PolarHBondContact NE1-OE2 2.7Å; R302-E306 IonicContact CZ-OE1 2.7Å; R302-E306 IonicContact NE-OE1 2.77Å; R302-E306 PolarHBondContact NE-OE1 2.92Å; R302-E306 IonicContact NH2-OE1 3.91Å; R302-E306 WeakPolarHBondContact O-CG 3.41Å; R302-E306 PolarHBondContact O-N 3.14Å; L303-E306 PolarHBondContact O-N 2.94Å; E306-E308 PolarHBondContact O-N 3.46Å; E306-H309 WeakPolarHBondContact O-CB 3.33Å; E306-H309 PolarHBondContact O-N 3.04Å; E306-I310 WeakPolarHBondContact O-CG1 3.07Å; E306-I310 PolarHBondContact O-N 3.43Å; E306-Y347 HydrophobicContact CG-CD1 4.27Å; E306-Y347 HydrophobicContact CG-CD2 4.35Å; E306-Y347 HydrophobicContact CG-CE1 4.26Å; E306-Y347 HydrophobicContact CG-CE2 4.34Å; E306-Y347 HydrophobicContact CG-CG 4.31Å; E306-T356 HydrophobicContact CG-CG2 4.06Å; E306-T356 WeakPolarHBondContact OE2-CA 3.16Å; E306-T356 WeakPolarHBondContact OE2-CB 3.21Å; E306-F357 PolarHBondContact OE2-N 3.18Å; E306-Y385 HydrophobicContact CB-CE1 3.77Å; E306-Y385 WeakPolarHBondContact OE2-CE1 3.32Å; E306-Y385 PolarHBondContact OE2-OH 3.4Å
307	R	88.6	Confident	82.4	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-47.1	178.9	-174.2	-164.3	64.6	-156.7	-5.9	111.6	L303 T304 H309 I310 Q311 L382 Y385 N386 D445 C446	L303-R307 WeakPolarHBondContact O-CB 3.28Å; L303-R307 PolarHBondContact O-N 2.98Å; T304-R307 PolarHBondContact O-N 2.96Å; R307-H309 PolarHBondContact O-N 3.24Å; R307-I310 PolarHBondContact O-N 2.93Å; R307-Q311 HydrophobicContact CG-CG 4.5Å; R307-Q311 WeakPolarHBondContact O-CG 3.46Å; R307-Q311 PolarHBondContact O-N 3.07Å; R307-L382 HydrophobicContact CG-CD2 3.79Å; R307-Y385 HydrophobicContact CB-CD1 4.19Å; R307-Y385 HydrophobicContact CB-CG 4.08Å; R307-Y385 HydrophobicContact CG-CG 4.3Å; R307-N386 WeakPolarHBondContact CD-OD1 3.35Å; R307-N386 PolarHBondContact NH1-OD1 2.94Å; R307-N386 VanDerWaalsContact NH1-OD1 3.11Å; R307-D445 PolarHBondContact NH2-O 2.87Å; R307-C446 PolarHBondContact NH1-O 3.14Å
308	E	85.1	Confident	79.7	Confident	41 Å²	41	37.4 Å²	37.4	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-35.9	176.8	-74.9	174.6	-177	0	0	111.7	R86 T304 E306 R312	R86-E308 IonicContact CZ-OE1 3.22Å; R86-E308 IonicContact NH1-OE1 3.13Å; R86-E308 PolarHBondContact NH1-OE1 3.07Å; R86-E308 IonicContact NH1-OE2 3.39Å; R86-E308 PolarHBondContact NH1-OE2 3.42Å; R86-E308 IonicContact NH2-OE1 2.7Å; R86-E308 PolarHBondContact NH2-OE1 3.14Å; R86-E308 IonicContact NH2-OE2 3.42Å; T304-E308 WeakPolarHBondContact O-CB 3.38Å; T304-E308 VanDerWaalsContact O-CG 3.26Å; T304-E308 WeakPolarHBondContact O-CG 3.39Å; T304-E308 PolarHBondContact O-N 3.45Å; E306-E308 PolarHBondContact O-N 3.46Å; E308-R312 VanDerWaalsContact CB-NH2 3.28Å; E308-R312 VanDerWaalsContact O-CB 3.3Å; E308-R312 WeakPolarHBondContact O-CB 3.45Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.39Å; E308-R312 PolarHBondContact O-N 3.46Å; E308-R312 PolarHBondContact O-NE 3.2Å; E308-R312 IonicContact OE2-NH2 2.6Å; E308-R312 PolarHBondContact OE2-NH2 2.9Å
309	H	82.4	Confident	76.8	Confident	32 Å²	32	41.1 Å²	41.1	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-46.5	175.4	177.1	73.9	0	0	0	111.9	E305 E306 R307 R312 T313 P345 Y347	E305-H309 WeakPolarHBondContact O-CB 3.33Å; E305-H309 PolarHBondContact O-N 2.9Å; E306-H309 WeakPolarHBondContact O-CB 3.33Å; E306-H309 PolarHBondContact O-N 3.04Å; R307-H309 PolarHBondContact O-N 3.24Å; H309-R312 PolarHBondContact O-N 3.27Å; H309-T313 WeakPolarHBondContact O-CB 3.12Å; H309-T313 PolarHBondContact O-N 2.98Å; H309-T313 PolarHBondContact O-OG1 3.04Å; H309-P345 PolarHBondContact NE2-O 2.93Å; H309-Y347 HydrophobicContact CB-CD2 3.9Å; H309-Y347 HydrophobicContact CB-CE2 4.43Å; H309-Y347 AromaticContact CG-CD2 3.9Å
310	I	79.8	Confident	73.9	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-49.6	175.7	-65.5	171.5	0	0	0	110.1	E306 R307 R312 T313 W314 I344 A358 I378 V381 L382 Y385	E306-I310 WeakPolarHBondContact O-CG1 3.07Å; E306-I310 PolarHBondContact O-N 3.43Å; R307-I310 PolarHBondContact O-N 2.93Å; I310-R312 PolarHBondContact O-N 3.25Å; I310-T313 PolarHBondContact O-N 3.48Å; I310-T313 VanDerWaalsContact O-N 3.12Å; I310-W314 WeakPolarHBondContact O-CB 3.21Å; I310-W314 VanDerWaalsContact O-CD1 3.23Å; I310-W314 PolarHBondContact O-N 3.27Å; I310-I344 HydrophobicContact CG1-CG2 4.07Å; I310-A358 HydrophobicContact CD1-CB 3.79Å; I310-I378 HydrophobicContact CG2-CG2 4.15Å; I310-V381 HydrophobicContact CD1-CG1 4.03Å; I310-L382 HydrophobicContact CB-CD2 4.27Å; I310-L382 HydrophobicContact CG2-CD2 3.88Å; I310-L382 HydrophobicContact CG2-CG 4.29Å; I310-Y385 HydrophobicContact CD1-CD2 4.11Å; I310-Y385 HydrophobicContact CD1-CE2 3.28Å
311	Q	81.9	Confident	71	Confident	24 Å²	24	54.1 Å²	54.1	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-56.5	-47.3	178.5	-73.7	172	-36	0	0	112.1	R307 T313 W314 S315 L382 S450	R307-Q311 HydrophobicContact CG-CG 4.5Å; R307-Q311 WeakPolarHBondContact O-CG 3.46Å; R307-Q311 PolarHBondContact O-N 3.07Å; Q311-T313 VanDerWaalsContact C-N 3.28Å; Q311-T313 PolarHBondContact O-N 2.93Å; Q311-W314 PolarHBondContact O-N 2.97Å; Q311-S315 WeakPolarHBondContact O-CB 3.36Å; Q311-S315 PolarHBondContact O-N 2.68Å; Q311-S315 PolarHBondContact O-OG 3.05Å; Q311-L382 HydrophobicContact CG-CD1 4.37Å; Q311-L382 HydrophobicContact CG-CD2 3.81Å; Q311-S450 VanDerWaalsContact CD-OG 3.23Å; Q311-S450 PolarHBondContact NE2-OG 2.85Å
312	R	77.1	Confident	68.3	Low	104 Å²	104	57.6 Å²	57.6	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-40.1	178	-80	-178.2	-103.4	113.9	-6.5	112	E308 H309 I310 T316	E308-R312 VanDerWaalsContact CB-NH2 3.28Å; E308-R312 VanDerWaalsContact O-CB 3.3Å; E308-R312 WeakPolarHBondContact O-CB 3.45Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.39Å; E308-R312 PolarHBondContact O-N 3.46Å; E308-R312 PolarHBondContact O-NE 3.2Å; E308-R312 IonicContact OE2-NH2 2.6Å; E308-R312 PolarHBondContact OE2-NH2 2.9Å; H309-R312 PolarHBondContact O-N 3.27Å; I310-R312 PolarHBondContact O-N 3.25Å; R312-T316 PolarHBondContact O-OG1 3.1Å
313	T	71.8	Confident	65.8	Low	21 Å²	21	61.6 Å²	61.6	13%	0.129	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-39	-179.4	-52.1	0	0	0	0	111.8	H309 I310 Q311 T316 M330 P345	H309-T313 WeakPolarHBondContact O-CB 3.12Å; H309-T313 PolarHBondContact O-N 2.98Å; H309-T313 PolarHBondContact O-OG1 3.04Å; I310-T313 PolarHBondContact O-N 3.48Å; I310-T313 VanDerWaalsContact O-N 3.12Å; Q311-T313 VanDerWaalsContact C-N 3.28Å; Q311-T313 PolarHBondContact O-N 2.93Å; T313-T316 PolarHBondContact O-OG1 2.87Å; T313-M330 HydrophobicContact CG2-CE 3.44Å; T313-M330 VanDerWaalsContact CG2-CE 3.44Å; T313-M330 HydrophobicContact CG2-SD 3.59Å; T313-M330 VanDerWaalsContact CG2-SD 3.59Å; T313-P345 HydrophobicContact CG2-CB 4.43Å; T313-P345 HydrophobicContact CG2-CG 3.1Å
314	W	69.6	Low	63.3	Low	48 Å²	48	65.7 Å²	65.7	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-86.7	-25.6	-174.8	-78.5	93	0	0	0	114.5	I310 Q311 T316 M330 L374 I378	I310-W314 WeakPolarHBondContact O-CB 3.21Å; I310-W314 VanDerWaalsContact O-CD1 3.23Å; I310-W314 PolarHBondContact O-N 3.27Å; Q311-W314 PolarHBondContact O-N 2.97Å; W314-T316 PolarHBondContact O-N 2.65Å; W314-M330 HydrophobicContact CD2-CE 4.25Å; W314-M330 HydrophobicContact CH2-CE 4.35Å; W314-M330 HydrophobicContact CZ2-CE 3.77Å; W314-L374 HydrophobicContact CH2-CD1 4.25Å; W314-L374 HydrophobicContact CH2-CD2 3.54Å; W314-L374 HydrophobicContact CH2-CG 3.62Å; W314-L374 HydrophobicContact CZ2-CD1 4.33Å; W314-L374 HydrophobicContact CZ2-CD2 4.15Å; W314-L374 HydrophobicContact CZ2-CG 4.18Å; W314-L374 HydrophobicContact CZ3-CG 4.48Å; W314-I378 HydrophobicContact CD2-CD1 3.47Å; W314-I378 VanDerWaalsContact CD2-CD1 3.47Å; W314-I378 HydrophobicContact CD2-CG1 4.25Å; W314-I378 HydrophobicContact CD2-CG2 4.11Å; W314-I378 HydrophobicContact CE3-CD1 3.48Å; W314-I378 VanDerWaalsContact CE3-CD1 3.48Å; W314-I378 HydrophobicContact CG-CD1 4.43Å; W314-I378 HydrophobicContact CG-CG2 3.98Å; W314-I378 HydrophobicContact CH2-CD1 3.06Å; W314-I378 HydrophobicContact CH2-CG1 4.4Å; W314-I378 HydrophobicContact CZ2-CD1 3.03Å; W314-I378 HydrophobicContact CZ2-CG1 4.01Å; W314-I378 HydrophobicContact CZ3-CD1 3.25Å
315	S	64.2	Low	60.8	Low	81 Å²	81	70 Å²	70	57%	0.566	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-71.8	-11.1	177.8	-57.4	0	0	0	0	113.6	Q311 N317	Q311-S315 WeakPolarHBondContact O-CB 3.36Å; Q311-S315 PolarHBondContact O-N 2.68Å; Q311-S315 PolarHBondContact O-OG 3.05Å; S315-N317 PolarHBondContact O-N 2.86Å
316	T	51.8	Low	58.5	Low	37 Å²	37	71.4 Å²	71.4	23%	0.227	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-70.1	11.2	-171	-6.7	0	0	0	0	116.7	R312 T313 W314 Q318 K327	R312-T316 PolarHBondContact O-OG1 3.1Å; T313-T316 PolarHBondContact O-OG1 2.87Å; W314-T316 PolarHBondContact O-N 2.65Å; T316-Q318 PolarHBondContact O-N 3.37Å; T316-K327 WeakPolarHBondContact O-CE 3.46Å; T316-K327 PolarHBondContact O-NZ 3.06Å
317	N	43	Very low	56.1	Low	131 Å²	131	74.5 Å²	74.5	70%	0.701	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-67.6	-7.9	170.1	-75.7	-31.8	0	0	0	113.7	S315	S315-N317 PolarHBondContact O-N 2.86Å
318	Q	39.9	Very low	53.8	Low	186 Å²	186	81.1 Å²	81.1	87%	0.869	45%	0.446	S	S	*	.	S	Bend	trans	-117.7	-8.4	-176.1	-70.6	-173.8	3	0	0	116.9	T316	T316-Q318 PolarHBondContact O-N 3.37Å
319	T	36.7	Very low	51.7	Low	88 Å²	88	85.1 Å²	85.1	54%	0.54	46%	0.464	S	S	.	.			trans	-115.7	106.9	-179.4	45.8	0	0	0	0	112.4	D321 K327	T319-D321 PolarHBondContact O-N 3.07Å; T319-K327 PolarHBondContact O-NZ 3.22Å
320	T	35.7	Very low	49.6	Very low	124 Å²	124	85.1 Å²	85.1	76%	0.761	47%	0.465	S	S	*	.			trans	-61.3	103.3	157.4	44	0	0	0	0	107.5
321	D	35	Very low	47.8	Very low	150 Å²	150	90.9 Å²	90.9	80%	0.802	49%	0.492	S	S	*	.	S	Bend	trans	159.6	141.2	137.8	-73.8	-22.2	0	0	0	112.2	T319	T319-D321 PolarHBondContact O-N 3.07Å
322	A	37.3	Very low	45.7	Very low	97 Å²	97	97.7 Å²	97.7	80%	0.802	52%	0.517	S	S	*	.	S	Bend	trans	81.6	-22.4	169.4	0	0	0	0	0	122.1
323	N	39.9	Very low	44.1	Very low	86 Å²	86	95.2 Å²	95.2	46%	0.46	51%	0.511	S	S	.	.			trans	-107.1	46	179.9	-89.6	-1.3	0	0	0	115.1	S325 K327	N323-S325 VanDerWaalsContact C-N 3.3Å; N323-S325 PolarHBondContact O-N 3.15Å; N323-K327 VanDerWaalsContact O-CB 3.3Å; N323-K327 WeakPolarHBondContact O-CB 3.46Å; N323-K327 WeakPolarHBondContact O-CG 3.11Å; N323-K327 PolarHBondContact O-N 2.96Å
324	C	39	Very low	42.7	Very low	85 Å²	85	99.3 Å²	99.3	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-62.4	-30.2	-174.9	-167.6	0	0	0	0	114.1	K328	C324-K328 WeakPolarHBondContact O-CB 3.46Å; C324-K328 WeakPolarHBondContact O-CG 3.46Å; C324-K328 PolarHBondContact O-N 3.27Å; C324-K328 VanDerWaalsContact O-N 3.09Å
325	S	41.5	Very low	41.1	Very low	91 Å²	91	102.7 Å²	102.7	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-75.4	-49.2	-179	-140.1	0	0	0	0	112.5	N323 K327 K328 E329	N323-S325 VanDerWaalsContact C-N 3.3Å; N323-S325 PolarHBondContact O-N 3.15Å; S325-K327 VanDerWaalsContact C-N 3.32Å; S325-K327 PolarHBondContact O-N 2.95Å; S325-K328 PolarHBondContact O-N 3.15Å; S325-K328 VanDerWaalsContact O-N 3.16Å; S325-E329 PolarHBondContact O-N 3.32Å
326	I	39.3	Very low	39.6	Very low	67 Å²	67	103.6 Å²	103.6	34%	0.344	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-39	176.1	-61.8	170.9	0	0	0	110.2	K328 E329 M330	I326-K328 VanDerWaalsContact C-N 3.32Å; I326-K328 PolarHBondContact O-N 3.42Å; I326-E329 PolarHBondContact O-N 3.38Å; I326-M330 HydrophobicContact CG2-CG 4.08Å; I326-M330 HydrophobicContact CG2-SD 3.79Å; I326-M330 WeakPolarHBondContact O-CB 3.42Å; I326-M330 VanDerWaalsContact O-CG 3.28Å; I326-M330 WeakPolarHBondContact O-CG 3.48Å; I326-M330 PolarHBondContact O-N 2.98Å
327	K	38.6	Very low	39	Very low	65 Å²	65	105.2 Å²	105.2	28%	0.283	55%	0.553	S	S	.	*	H	α-helix	trans	-59.8	-41.1	173.7	-80.3	-174.5	171.4	-165.9	0	112.1	T316 T319 N323 S325 Q331	T316-K327 WeakPolarHBondContact O-CE 3.46Å; T316-K327 PolarHBondContact O-NZ 3.06Å; T319-K327 PolarHBondContact O-NZ 3.22Å; N323-K327 VanDerWaalsContact O-CB 3.3Å; N323-K327 WeakPolarHBondContact O-CB 3.46Å; N323-K327 WeakPolarHBondContact O-CG 3.11Å; N323-K327 PolarHBondContact O-N 2.96Å; S325-K327 VanDerWaalsContact C-N 3.32Å; S325-K327 PolarHBondContact O-N 2.95Å; K327-Q331 WeakPolarHBondContact O-CB 3.39Å; K327-Q331 PolarHBondContact O-N 3.18Å
328	K	40.5	Very low	38.7	Very low	144 Å²	144	109.1 Å²	109.1	63%	0.626	56%	0.559	S	S	*	*	H	α-helix	trans	-67	-45.1	176.9	-82.5	179.6	177.3	-176.7	0	112.2	C324 S325 I326 Q331 Y332	C324-K328 WeakPolarHBondContact O-CB 3.46Å; C324-K328 WeakPolarHBondContact O-CG 3.46Å; C324-K328 PolarHBondContact O-N 3.27Å; C324-K328 VanDerWaalsContact O-N 3.09Å; S325-K328 PolarHBondContact O-N 3.15Å; S325-K328 VanDerWaalsContact O-N 3.16Å; I326-K328 VanDerWaalsContact C-N 3.32Å; I326-K328 PolarHBondContact O-N 3.42Å; K328-Q331 PolarHBondContact O-N 3.47Å; K328-Y332 VanDerWaalsContact O-CB 3.25Å; K328-Y332 WeakPolarHBondContact O-CB 3.41Å; K328-Y332 PolarHBondContact O-N 3.47Å
329	E	40.4	Very low	38.4	Very low	125 Å²	125	102.6 Å²	102.6	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-63.6	-44.2	176	-79.9	176.7	162.5	0	0	112	S325 I326 Y332 M333	S325-E329 PolarHBondContact O-N 3.32Å; I326-E329 PolarHBondContact O-N 3.38Å; E329-Y332 PolarHBondContact O-N 3.02Å; E329-M333 WeakPolarHBondContact O-CB 3.22Å; E329-M333 WeakPolarHBondContact O-CG 2.99Å; E329-M333 PolarHBondContact O-N 3.48Å
330	M	39.2	Very low	38.3	Very low	32 Å²	32	104.4 Å²	104.4	16%	0.158	54%	0.544	C	S	.	.	H	α-helix	trans	-67.4	-36.8	177	-70.2	-176.3	94.2	0	0	112.5	T313 W314 I326 Y332 M333 K334 P345	T313-M330 HydrophobicContact CG2-CE 3.44Å; T313-M330 VanDerWaalsContact CG2-CE 3.44Å; T313-M330 HydrophobicContact CG2-SD 3.59Å; T313-M330 VanDerWaalsContact CG2-SD 3.59Å; W314-M330 HydrophobicContact CD2-CE 4.25Å; W314-M330 HydrophobicContact CH2-CE 4.35Å; W314-M330 HydrophobicContact CZ2-CE 3.77Å; I326-M330 HydrophobicContact CG2-CG 4.08Å; I326-M330 HydrophobicContact CG2-SD 3.79Å; I326-M330 WeakPolarHBondContact O-CB 3.42Å; I326-M330 VanDerWaalsContact O-CG 3.28Å; I326-M330 WeakPolarHBondContact O-CG 3.48Å; I326-M330 PolarHBondContact O-N 2.98Å; M330-Y332 VanDerWaalsContact C-N 3.33Å; M330-M333 HydrophobicContact CG-CE 4.3Å; M330-M333 PolarHBondContact O-N 3.05Å; M330-K334 WeakPolarHBondContact O-CB 3.46Å; M330-K334 PolarHBondContact O-N 3.33Å; M330-P345 HydrophobicContact CE-CG 4.44Å
331	Q	40.7	Very low	38.7	Very low	123 Å²	123	100.6 Å²	100.6	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-73.3	-29	176.7	-162.4	161.2	14.7	0	0	111.7	K327 K328 N335	K327-Q331 WeakPolarHBondContact O-CB 3.39Å; K327-Q331 PolarHBondContact O-N 3.18Å; K328-Q331 PolarHBondContact O-N 3.47Å; Q331-N335 WeakPolarHBondContact O-CB 3.22Å; Q331-N335 VanDerWaalsContact O-CG 3.3Å; Q331-N335 PolarHBondContact O-N 2.95Å; Q331-N335 PolarHBondContact O-ND2 3.47Å
332	Y	39.7	Very low	39.1	Very low	166 Å²	166	96 Å²	96	65%	0.651	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-45.8	169.7	-157	-93.6	0	0	0	111.3	K328 E329 M330 K334 N335 N336	K328-Y332 VanDerWaalsContact O-CB 3.25Å; K328-Y332 WeakPolarHBondContact O-CB 3.41Å; K328-Y332 PolarHBondContact O-N 3.47Å; E329-Y332 PolarHBondContact O-N 3.02Å; M330-Y332 VanDerWaalsContact C-N 3.33Å; Y332-K334 PolarHBondContact O-N 3.43Å; Y332-N335 PolarHBondContact O-N 3.32Å; Y332-N336 WeakPolarHBondContact O-CB 3.37Å; Y332-N336 PolarHBondContact O-N 2.87Å
333	M	41.5	Very low	39.5	Very low	52 Å²	52	92.3 Å²	92.3	26%	0.256	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-41.4	174.4	-74.9	-166	-71.8	0	0	112.5	E329 M330 N335 N336 M337	E329-M333 WeakPolarHBondContact O-CB 3.22Å; E329-M333 WeakPolarHBondContact O-CG 2.99Å; E329-M333 PolarHBondContact O-N 3.48Å; M330-M333 HydrophobicContact CG-CE 4.3Å; M330-M333 PolarHBondContact O-N 3.05Å; M333-N335 PolarHBondContact O-N 3.08Å; M333-N336 PolarHBondContact O-N 3.11Å; M333-M337 HydrophobicContact CB-SD 4.43Å; M333-M337 HydrophobicContact CG-SD 4.44Å; M333-M337 PolarHBondContact O-N 2.99Å; M333-M337 HydrophobicContact SD-SD 4.48Å
334	K	42.4	Very low	40.2	Very low	107 Å²	107	88.6 Å²	88.6	47%	0.465	44%	0.443	S	S	.	.	H	α-helix	trans	-60.7	-30.1	176.9	-172	177	-176.1	178.6	0	112.9	M330 Y332	M330-K334 WeakPolarHBondContact O-CB 3.46Å; M330-K334 PolarHBondContact O-N 3.33Å; Y332-K334 PolarHBondContact O-N 3.43Å
335	N	37.1	Very low	41	Very low	120 Å²	120	86.1 Å²	86.1	64%	0.642	43%	0.426	S	S	*	.	H	α-helix	trans	-97.9	-17.9	-177	-70.6	-12.2	0	0	0	113.9	Q331 Y332 M333	Q331-N335 WeakPolarHBondContact O-CB 3.22Å; Q331-N335 VanDerWaalsContact O-CG 3.3Å; Q331-N335 PolarHBondContact O-N 2.95Å; Q331-N335 PolarHBondContact O-ND2 3.47Å; Y332-N335 PolarHBondContact O-N 3.32Å; M333-N335 PolarHBondContact O-N 3.08Å
336	N	33.2	Very low	42.3	Very low	99 Å²	99	85.6 Å²	85.6	53%	0.529	41%	0.41	S	S	.	.	H	α-helix	trans	-128.1	9.3	-168.4	-82.6	-19.3	0	0	0	117.1	Y332 M333 Y338	Y332-N336 WeakPolarHBondContact O-CB 3.37Å; Y332-N336 PolarHBondContact O-N 2.87Å; M333-N336 PolarHBondContact O-N 3.11Å; N336-Y338 PolarHBondContact O-N 3.27Å
337	M	38	Very low	44.1	Very low	71 Å²	71	83.1 Å²	83.1	35%	0.35	40%	0.397	S	S	.	.			trans	-91.9	85.4	-179.5	-80.7	-165.5	83	0	0	114.2	M333 G339 H340 V343	M333-M337 HydrophobicContact CB-SD 4.43Å; M333-M337 HydrophobicContact CG-SD 4.44Å; M333-M337 PolarHBondContact O-N 2.99Å; M333-M337 HydrophobicContact SD-SD 4.48Å; M337-G339 WeakPolarHBondContact CE-O 3.38Å; M337-H340 VanDerWaalsContact CE-C 3.43Å; M337-V343 HydrophobicContact CE-CG2 3.92Å; M337-V343 HydrophobicContact SD-CB 4.49Å; M337-V343 HydrophobicContact SD-CG1 3.88Å; M337-V343 HydrophobicContact SD-CG2 3.91Å
338	Y	37.5	Very low	45.9	Very low	213 Å²	213	82.1 Å²	82.1	84%	0.835	40%	0.397	S	S	*	.	S	Bend	trans	-95.3	85.2	138.9	-68	-84.2	0	0	0	107.4	N336	N336-Y338 PolarHBondContact O-N 3.27Å
339	G	33.1	Very low	47.7	Very low	49 Å²	49	76.1 Å²	76.1	51%	0.505	37%	0.372	S	S	.	.	S	Bend	trans	127.3	126.5	169.1	0	0	0	0	0	116.5	M337	M337-G339 WeakPolarHBondContact CE-O 3.38Å
340	H	35.9	Very low	49.3	Very low	127 Å²	127	73 Å²	73	59%	0.588	36%	0.355	S	S	*	.			trans	55.1	98.1	151.5	-77.9	-76.5	0	0	0	121	M337	M337-H340 VanDerWaalsContact CE-C 3.43Å
341	Q	42.7	Very low	50.8	Low	43 Å²	43	73.5 Å²	73.5	20%	0.201	37%	0.369	C	S	.	.	S	Bend		113.9	-6.3	101	-111.8	161.3	5.8	0	0	124.5	Y217	Y217-Q341 PolarHBondContact OH-NE2 3.01Å; Y217-Q341 PolarHBondContact OH-OE1 3.04Å
342	T	44.6	Very low	52.6	Low	54 Å²	54	68.7 Å²	68.7	33%	0.331	35%	0.347	S	S	.	.			trans	-145.7	77.3	165.4	45.3	0	0	0	0	110.9	Y346	T342-Y346 HydrophobicContact CG2-CE1 4.22Å
343	V	45	Very low	54.6	Low	20 Å²	20	64.1 Å²	64.1	12%	0.121	33%	0.333	C	S	.	.			trans	-89.3	-6.6	-169.5	-145.9	0	0	0	0	114.1	M337 L374	M337-V343 HydrophobicContact CE-CG2 3.92Å; M337-V343 HydrophobicContact SD-CB 4.49Å; M337-V343 HydrophobicContact SD-CG1 3.88Å; M337-V343 HydrophobicContact SD-CG2 3.91Å; V343-L374 HydrophobicContact CB-CD1 3.83Å; V343-L374 HydrophobicContact CG1-CD1 3.2Å; V343-L374 HydrophobicContact CG1-CD2 3.3Å; V343-L374 HydrophobicContact CG1-CG 3.82Å
344	I	53.9	Low	56.7	Low	8 Å²	8	61.9 Å²	61.9	4%	0.041	32%	0.322	C	S	.	.	S	Bend	trans	-120.3	129.2	179.2	-61.5	173	0	0	0	108.3	I310 Y346 A358 L362	I310-I344 HydrophobicContact CG1-CG2 4.07Å; I344-Y346 PolarHBondContact O-N 3.33Å; I344-A358 HydrophobicContact CD1-CB 3.37Å; I344-L362 HydrophobicContact CD1-CD1 3.68Å; I344-L362 HydrophobicContact CG1-CD1 3.94Å
345	P	55.6	Low	58.8	Low	33 Å²	33	57 Å²	57	21%	0.214	30%	0.302	C	S	.	.			trans	-62.2	131	-179.5	15.4	-20.7	0	0	0	110.5	H309 T313 M330 Y347	H309-P345 PolarHBondContact NE2-O 2.93Å; T313-P345 HydrophobicContact CG2-CB 4.43Å; T313-P345 HydrophobicContact CG2-CG 3.1Å; M330-P345 HydrophobicContact CE-CG 4.44Å; P345-Y347 PolarHBondContact O-N 3.13Å; P345-Y347 VanDerWaalsContact O-N 3.16Å
346	Y	69.1	Low	61.3	Low	79 Å²	79	51.6 Å²	51.6	31%	0.31	27%	0.273	S	S	.	.			trans	-45.6	118.5	-174.7	-57.1	-81.2	0	0	0	111.5	L206 T342 I344 S348 N353	L206-Y346 HydrophobicContact CD1-CD1 3.99Å; L206-Y346 HydrophobicContact CD1-CE1 4.01Å; T342-Y346 HydrophobicContact CG2-CE1 4.22Å; I344-Y346 PolarHBondContact O-N 3.33Å; Y346-S348 PolarHBondContact O-N 2.65Å; Y346-N353 VanDerWaalsContact CB-CG 3.47Å; Y346-N353 WeakPolarHBondContact CB-OD1 3.5Å; Y346-N353 HydrophobicContact CD1-CB 4.45Å
347	Y	78.2	Confident	64.1	Low	16 Å²	16	46.9 Å²	46.9	6%	0.063	25%	0.248	C	C	.	.			trans	-65.4	130.4	167.5	173.4	-102.2	0	0	0	108	E305 E306 H309 P345 E349 N353 E354 T356	E305-Y347 HydrophobicContact CB-CE2 4.34Å; E306-Y347 HydrophobicContact CG-CD1 4.27Å; E306-Y347 HydrophobicContact CG-CD2 4.35Å; E306-Y347 HydrophobicContact CG-CE1 4.26Å; E306-Y347 HydrophobicContact CG-CE2 4.34Å; E306-Y347 HydrophobicContact CG-CG 4.31Å; H309-Y347 HydrophobicContact CB-CD2 3.9Å; H309-Y347 HydrophobicContact CB-CE2 4.43Å; H309-Y347 AromaticContact CG-CD2 3.9Å; P345-Y347 PolarHBondContact O-N 3.13Å; P345-Y347 VanDerWaalsContact O-N 3.16Å; Y347-E349 HydrophobicContact CD1-CG 4.47Å; Y347-E349 HydrophobicContact CE1-CG 3.46Å; Y347-E349 VanDerWaalsContact CE1-CG 3.46Å; Y347-E349 VanDerWaalsContact CE1-OE1 3.24Å; Y347-E349 WeakPolarHBondContact CE1-OE1 3.32Å; Y347-E349 WeakPolarHBondContact OH-CG 3.15Å; Y347-E349 PolarHBondContact OH-OE1 3.21Å; Y347-N353 WeakPolarHBondContact O-CA 3.38Å; Y347-E354 HydrophobicContact CD1-CB 4.09Å; Y347-E354 HydrophobicContact CE1-CB 4.47Å; Y347-E354 PolarHBondContact O-N 2.87Å; Y347-T356 HydrophobicContact CD1-CG2 4.07Å; Y347-T356 HydrophobicContact CG-CG2 3.89Å
348	S	76.7	Confident	66.4	Low	43 Å²	43	43.5 Å²	43.5	30%	0.301	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.8	-178.5	78.9	0	0	0	0	111.8	Y346 L352	Y346-S348 PolarHBondContact O-N 2.65Å; S348-L352 CarbonylContact C-O 3.45Å; S348-L352 WeakPolarHBondContact CA-O 3.44Å
349	E	77.3	Confident	68.5	Low	19 Å²	19	34.5 Å²	34.5	9%	0.089	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.7	164.3	-74.3	179.9	-174.1	0	0	110.1	R249 R302 Y347 G351 L352 E354	R249-E349 IonicContact CZ-OE2 3.36Å; R249-E349 IonicContact NE-OE2 2.79Å; R249-E349 PolarHBondContact NE-OE2 2.96Å; R249-E349 IonicContact NH2-OE2 3.52Å; R249-E349 PolarHBondContact NH2-OE2 2.9Å; R302-E349 WeakPolarHBondContact CD-OE1 3.47Å; R302-E349 IonicContact CZ-OE1 2.8Å; R302-E349 IonicContact NE-OE1 3.78Å; R302-E349 PolarHBondContact NE-OE1 3.35Å; R302-E349 IonicContact NH1-OE1 2.72Å; R302-E349 PolarHBondContact NH1-OE1 2.86Å; R302-E349 IonicContact NH1-OE2 3.72Å; R302-E349 PolarHBondContact NH1-OE2 2.84Å; Y347-E349 HydrophobicContact CD1-CG 4.47Å; Y347-E349 HydrophobicContact CE1-CG 3.46Å; Y347-E349 VanDerWaalsContact CE1-CG 3.46Å; Y347-E349 VanDerWaalsContact CE1-OE1 3.24Å; Y347-E349 WeakPolarHBondContact CE1-OE1 3.32Å; Y347-E349 WeakPolarHBondContact OH-CG 3.15Å; Y347-E349 PolarHBondContact OH-OE1 3.21Å; E349-G351 PolarHBondContact O-N 3.06Å; E349-L352 PolarHBondContact N-O 3.03Å; E349-L352 PolarHBondContact O-N 3.27Å; E349-E354 HydrophobicContact CB-CG 4Å; E349-E354 HydrophobicContact CG-CG 4.45Å
350	Y	73.5	Confident	71	Confident	59 Å²	59	32.2 Å²	32.2	23%	0.231	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	28	-175.8	-50	-83.8	0	0	0	113.8	T54 C58 H124 A128 L352	T54-Y350 VanDerWaalsContact CA-O 3.22Å; T54-Y350 WeakPolarHBondContact CA-O 3.28Å; T54-Y350 PolarHBondContact OG1-O 2.69Å; C58-Y350 HydrophobicContact CB-CD1 4.38Å; C58-Y350 WeakPolarHBondContact SG-CD1 3.44Å; H124-Y350 AromaticContact CE1-CE2 3.21Å; H124-Y350 WeakPolarHBondContact CE1-CE2 3.48Å; H124-Y350 AromaticContact CE1-CZ 3.38Å; H124-Y350 PolarHBondContact CE1-OH 3.43Å; H124-Y350 AromaticContact ND1-CE2 3.85Å; H124-Y350 AromaticContact ND1-CZ 3.68Å; H124-Y350 PolarHBondContact ND1-OH 2.92Å; A128-Y350 HydrophobicContact CB-CD2 4.21Å; A128-Y350 HydrophobicContact CB-CG 4.19Å; Y350-L352 VanDerWaalsContact C-N 3.31Å
351	G	71.6	Confident	73.3	Confident	43 Å²	43	26.2 Å²	26.2	44%	0.443	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	12	-177.5	0	0	0	0	0	114.9	E349	E349-G351 PolarHBondContact O-N 3.06Å
352	L	77.8	Confident	74.9	Confident	22 Å²	22	25.4 Å²	25.4	12%	0.115	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.6	176.8	-57.6	174.4	0	0	0	109.7	P50 T54 K131 S348 E349 Y350	P50-L352 HydrophobicContact CB-CD2 3.86Å; T54-L352 HydrophobicContact CG2-CD1 4.33Å; K131-L352 HydrophobicContact CB-CD1 3.55Å; S348-L352 CarbonylContact C-O 3.45Å; S348-L352 WeakPolarHBondContact CA-O 3.44Å; E349-L352 PolarHBondContact N-O 3.03Å; E349-L352 PolarHBondContact O-N 3.27Å; Y350-L352 VanDerWaalsContact C-N 3.31Å
353	N	82.1	Confident	76.3	Confident	69 Å²	69	25 Å²	25	37%	0.369	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.3	176.8	-65.5	-15.8	0	0	0	109.7	L206 Y346 Y347	L206-N353 HydrophobicContact CD2-CB 4.2Å; Y346-N353 VanDerWaalsContact CB-CG 3.47Å; Y346-N353 WeakPolarHBondContact CB-OD1 3.5Å; Y346-N353 HydrophobicContact CD1-CB 4.45Å; Y347-N353 WeakPolarHBondContact O-CA 3.38Å
354	E	84.5	Confident	77.7	Confident	6 Å²	6	24.8 Å²	24.8	3%	0.028	14%	0.138	C	C	.	.			trans	-131.9	144.5	178.4	-68.8	-77.1	179.2	0	0	109.7	K131 R249 R302 Y347 E349	K131-E354 VanDerWaalsContact CE-OE1 3.22Å; K131-E354 WeakPolarHBondContact CE-OE1 3.1Å; K131-E354 IonicContact NZ-OE1 2.96Å; K131-E354 PolarHBondContact NZ-OE1 3.42Å; K131-E354 IonicContact NZ-OE2 3.08Å; K131-E354 PolarHBondContact NZ-OE2 3.18Å; R249-E354 IonicContact NH2-OE1 3.16Å; R302-E354 VanDerWaalsContact NH2-CB 3.34Å; Y347-E354 HydrophobicContact CD1-CB 4.09Å; Y347-E354 HydrophobicContact CE1-CB 4.47Å; Y347-E354 PolarHBondContact O-N 2.87Å; E349-E354 HydrophobicContact CB-CG 4Å; E349-E354 HydrophobicContact CG-CG 4.45Å
355	P	88.5	Confident	78.6	Confident	4 Å²	4	24.8 Å²	24.8	3%	0.026	14%	0.138	C	C	.	.			trans	-69.8	141.9	179.8	28.1	-32.9	0	0	0	110.6	L202 L206 F244 R302	L202-P355 HydrophobicContact CB-CB 3.95Å; L202-P355 HydrophobicContact CB-CG 4.19Å; L206-P355 HydrophobicContact CD2-CB 4.39Å; F244-P355 HydrophobicContact CD1-CG 4.07Å; F244-P355 HydrophobicContact CD2-CG 4.43Å; F244-P355 HydrophobicContact CE1-CG 3.52Å; F244-P355 HydrophobicContact CE2-CG 3.9Å; F244-P355 HydrophobicContact CZ-CG 3.41Å; F244-P355 VanDerWaalsContact CZ-CG 3.41Å; R302-P355 PolarHBondContact NH2-O 3.36Å
356	T	89.2	Confident	79.1	Confident	6 Å²	6	25.9 Å²	25.9	4%	0.037	15%	0.146	C	C	.	.			trans	-114.6	168.1	-178.4	66	0	0	0	0	112.1	W241 E306 Y347 A358 D359 A360	W241-T356 VanDerWaalsContact CD1-C 3.42Å; E306-T356 HydrophobicContact CG-CG2 4.06Å; E306-T356 WeakPolarHBondContact OE2-CA 3.16Å; E306-T356 WeakPolarHBondContact OE2-CB 3.21Å; Y347-T356 HydrophobicContact CD1-CG2 4.07Å; Y347-T356 HydrophobicContact CG-CG2 3.89Å; T356-A358 PolarHBondContact O-N 2.84Å; T356-A358 PolarHBondContact OG1-N 3.42Å; T356-D359 WeakPolarHBondContact CB-OD2 3.36Å; T356-D359 PolarHBondContact N-OD2 3.33Å; T356-D359 PolarHBondContact O-N 3.27Å; T356-D359 PolarHBondContact OG1-N 3.25Å; T356-D359 PolarHBondContact OG1-OD2 3.17Å; T356-A360 PolarHBondContact O-N 3.5Å; T356-A360 VanDerWaalsContact O-N 3.13Å
357	F	91.1	Very high	78.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-36.5	170.6	166.5	-109.3	0	0	0	110.7	K238 W241 E306 D359 A360 L361 E384 Y385 I388	K238-F357 HydrophobicContact CB-CE2 4.2Å; W241-F357 HydrophobicContact CB-CB 4.17Å; W241-F357 HydrophobicContact CB-CD2 4.09Å; W241-F357 HydrophobicContact CD2-CB 3.8Å; W241-F357 HydrophobicContact CG-CB 3.58Å; W241-F357 HydrophobicContact CG-CD2 4.34Å; W241-F357 HydrophobicContact CG-CG 4.45Å; E306-F357 PolarHBondContact OE2-N 3.18Å; F357-D359 VanDerWaalsContact C-N 3.31Å; F357-D359 PolarHBondContact O-N 3.34Å; F357-A360 WeakPolarHBondContact O-CB 3.4Å; F357-A360 PolarHBondContact O-N 2.89Å; F357-L361 HydrophobicContact CE1-CD2 4.24Å; F357-L361 HydrophobicContact CZ-CB 4.43Å; F357-L361 HydrophobicContact CZ-CD2 4.14Å; F357-L361 WeakPolarHBondContact O-CB 3.32Å; F357-L361 PolarHBondContact O-N 2.87Å; F357-E384 HydrophobicContact CE1-CB 3.6Å; F357-E384 HydrophobicContact CZ-CB 3.71Å; F357-Y385 HydrophobicContact CB-CE1 3.78Å; F357-Y385 HydrophobicContact CB-CE2 4.47Å; F357-Y385 HydrophobicContact CD1-CD1 4.12Å; F357-Y385 AromaticContact CD1-CD2 3.98Å; F357-Y385 HydrophobicContact CD1-CD2 3.98Å; F357-Y385 AromaticContact CD1-CE1 3.98Å; F357-Y385 HydrophobicContact CD1-CE1 3.98Å; F357-Y385 AromaticContact CD1-CE2 3.75Å; F357-Y385 HydrophobicContact CD1-CE2 3.75Å; F357-Y385 HydrophobicContact CD1-CG 4.14Å; F357-Y385 AromaticContact CD1-CZ 3.79Å; F357-Y385 HydrophobicContact CG-CE1 4.32Å; F357-Y385 PolarHBondContact N-OH 2.87Å; F357-I388 HydrophobicContact CD1-CD1 4.25Å; F357-I388 HydrophobicContact CD2-CD1 3.88Å; F357-I388 HydrophobicContact CE1-CD1 4.03Å; F357-I388 HydrophobicContact CE2-CD1 3.63Å; F357-I388 HydrophobicContact CG-CD1 4.18Å; F357-I388 HydrophobicContact CZ-CD1 3.71Å
358	A	86.2	Confident	78.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-37.9	176.9	0	0	0	0	0	112.3	I310 I344 T356 L361 L362 V381 Y385	I310-A358 HydrophobicContact CD1-CB 3.79Å; I344-A358 HydrophobicContact CD1-CB 3.37Å; T356-A358 PolarHBondContact O-N 2.84Å; T356-A358 PolarHBondContact OG1-N 3.42Å; A358-L361 PolarHBondContact O-N 3.29Å; A358-L362 WeakPolarHBondContact O-CB 3.21Å; A358-L362 VanDerWaalsContact O-CG 3.23Å; A358-L362 WeakPolarHBondContact O-CG 3.36Å; A358-L362 PolarHBondContact O-N 3.36Å; A358-V381 HydrophobicContact CB-CG1 3.77Å; A358-Y385 HydrophobicContact CB-CE2 4.2Å; A358-Y385 PolarHBondContact N-OH 3.5Å
359	D	81.9	Confident	77.1	Confident	24 Å²	24	33.4 Å²	33.4	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-45.4	173.6	-58.4	-47	0	0	0	111.1	T356 F357 L361 L362 L363	T356-D359 WeakPolarHBondContact CB-OD2 3.36Å; T356-D359 PolarHBondContact N-OD2 3.33Å; T356-D359 PolarHBondContact O-N 3.27Å; T356-D359 PolarHBondContact OG1-N 3.25Å; T356-D359 PolarHBondContact OG1-OD2 3.17Å; F357-D359 VanDerWaalsContact C-N 3.31Å; F357-D359 PolarHBondContact O-N 3.34Å; D359-L361 VanDerWaalsContact C-N 3.29Å; D359-L361 PolarHBondContact O-N 3.39Å; D359-L362 PolarHBondContact O-N 2.9Å; D359-L363 WeakPolarHBondContact O-CB 3.44Å; D359-L363 WeakPolarHBondContact O-CD1 2.88Å; D359-L363 VanDerWaalsContact O-CG 3.23Å; D359-L363 WeakPolarHBondContact O-CG 3.18Å; D359-L363 PolarHBondContact O-N 3.43Å
360	A	84.8	Confident	76	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-41.6	177	0	0	0	0	0	112	L202 S237 W241 T356 F357 S364	L202-A360 HydrophobicContact CD1-CB 4.03Å; L202-A360 HydrophobicContact CD2-CB 3.62Å; S237-A360 PolarHBondContact OG-O 2.81Å; W241-A360 HydrophobicContact CB-CB 4.45Å; T356-A360 PolarHBondContact O-N 3.5Å; T356-A360 VanDerWaalsContact O-N 3.13Å; F357-A360 WeakPolarHBondContact O-CB 3.4Å; F357-A360 PolarHBondContact O-N 2.89Å; A360-S364 PolarHBondContact O-N 2.99Å; A360-S364 PolarHBondContact O-OG 3.39Å
361	L	84.2	Confident	75.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-46.8	179	-177.4	56.8	0	0	0	112	I233 Y234 S237 F357 A358 D359 L363 S364 L365 V381	I233-L361 HydrophobicContact CG2-CD1 4.16Å; Y234-L361 HydrophobicContact CD1-CD1 3.43Å; Y234-L361 VanDerWaalsContact CD1-CD1 3.43Å; Y234-L361 HydrophobicContact CD1-CD2 3.89Å; Y234-L361 HydrophobicContact CD1-CG 4.32Å; Y234-L361 HydrophobicContact CE1-CD1 3.63Å; Y234-L361 HydrophobicContact CE1-CD2 3.79Å; Y234-L361 HydrophobicContact CE1-CG 4.29Å; Y234-L361 HydrophobicContact CG-CD1 4.38Å; S237-L361 WeakPolarHBondContact OG-CA 3.44Å; F357-L361 HydrophobicContact CE1-CD2 4.24Å; F357-L361 HydrophobicContact CZ-CB 4.43Å; F357-L361 HydrophobicContact CZ-CD2 4.14Å; F357-L361 WeakPolarHBondContact O-CB 3.32Å; F357-L361 PolarHBondContact O-N 2.87Å; A358-L361 PolarHBondContact O-N 3.29Å; D359-L361 VanDerWaalsContact C-N 3.29Å; D359-L361 PolarHBondContact O-N 3.39Å; L361-L363 VanDerWaalsContact C-N 3.32Å; L361-L363 PolarHBondContact O-N 3.46Å; L361-S364 PolarHBondContact O-N 2.96Å; L361-L365 HydrophobicContact CD1-CD1 4.23Å; L361-L365 HydrophobicContact CD1-CG 4.17Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 WeakPolarHBondContact O-CB 3.12Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.49Å; L361-V381 HydrophobicContact CD2-CB 4.49Å; L361-V381 HydrophobicContact CD2-CG2 3.7Å
362	L	76.4	Confident	74.5	Confident	26 Å²	26	43.2 Å²	43.2	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-37.7	179.2	-74.2	175.1	0	0	0	112.4	I344 A358 D359 L365 S366 V377	I344-L362 HydrophobicContact CD1-CD1 3.68Å; I344-L362 HydrophobicContact CG1-CD1 3.94Å; A358-L362 WeakPolarHBondContact O-CB 3.21Å; A358-L362 VanDerWaalsContact O-CG 3.23Å; A358-L362 WeakPolarHBondContact O-CG 3.36Å; A358-L362 PolarHBondContact O-N 3.36Å; D359-L362 PolarHBondContact O-N 2.9Å; L362-L365 PolarHBondContact O-N 3.3Å; L362-S366 WeakPolarHBondContact O-CB 3.29Å; L362-S366 PolarHBondContact O-N 3.37Å; L362-S366 PolarHBondContact O-OG 3.23Å; L362-V377 HydrophobicContact CD2-CG1 3.67Å
363	L	73.9	Confident	73.5	Confident	46 Å²	46	49.7 Å²	49.7	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-47.9	172.8	-76.9	167.6	0	0	0	110.7	L202 N205 D359 L361 S366 S367	L202-L363 HydrophobicContact CD2-CD1 4.48Å; N205-L363 HydrophobicContact CB-CD1 4.09Å; D359-L363 WeakPolarHBondContact O-CB 3.44Å; D359-L363 WeakPolarHBondContact O-CD1 2.88Å; D359-L363 VanDerWaalsContact O-CG 3.23Å; D359-L363 WeakPolarHBondContact O-CG 3.18Å; D359-L363 PolarHBondContact O-N 3.43Å; L361-L363 VanDerWaalsContact C-N 3.32Å; L361-L363 PolarHBondContact O-N 3.46Å; L363-S366 PolarHBondContact O-N 3.42Å; L363-S367 PolarHBondContact O-N 3.46Å; L363-S367 PolarHBondContact O-OG 2.81Å
364	S	75.4	Confident	72.5	Confident	16 Å²	16	48 Å²	48	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-36.5	-178.9	-52.9	0	0	0	0	112.6	S237 A360 L361	S237-S364 WeakPolarHBondContact OG-CB 3.44Å; S237-S364 PolarHBondContact OG-OG 2.88Å; A360-S364 PolarHBondContact O-N 2.99Å; A360-S364 PolarHBondContact O-OG 3.39Å; L361-S364 PolarHBondContact O-N 2.96Å
365	L	72.5	Confident	71.5	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-39.1	174.2	-71.7	172	0	0	0	112.3	I233 L361 L362 S367 S368 Y372 V377	I233-L365 HydrophobicContact CG2-CD2 4.1Å; I233-L365 HydrophobicContact CG2-CG 4.34Å; L361-L365 HydrophobicContact CD1-CD1 4.23Å; L361-L365 HydrophobicContact CD1-CG 4.17Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 WeakPolarHBondContact O-CB 3.12Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.49Å; L362-L365 PolarHBondContact O-N 3.3Å; L365-S367 PolarHBondContact O-N 2.83Å; L365-S368 WeakPolarHBondContact O-CB 3.06Å; L365-S368 PolarHBondContact O-N 3.3Å; L365-S368 PolarHBondContact O-OG 3.43Å; L365-Y372 HydrophobicContact CB-CE2 4.32Å; L365-Y372 HydrophobicContact CD2-CE2 3.86Å; L365-V377 HydrophobicContact CD1-CG1 4.1Å
366	S	66	Low	70.6	Confident	56 Å²	56	55.1 Å²	55.1	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-36.1	178.8	-61.6	0	0	0	0	111.8	L362 L363 S368 K369	L362-S366 WeakPolarHBondContact O-CB 3.29Å; L362-S366 PolarHBondContact O-N 3.37Å; L362-S366 PolarHBondContact O-OG 3.23Å; L363-S366 PolarHBondContact O-N 3.42Å; S366-S368 PolarHBondContact O-N 2.88Å; S366-K369 PolarHBondContact O-N 3.13Å
367	S	64.1	Low	69.9	Low	65 Å²	65	55.3 Å²	55.3	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-22.5	175.7	-59.9	0	0	0	0	113.5	L363 L365 K369	L363-S367 PolarHBondContact O-N 3.46Å; L363-S367 PolarHBondContact O-OG 2.81Å; L365-S367 PolarHBondContact O-N 2.83Å; S367-K369 VanDerWaalsContact C-N 3.33Å; S367-K369 PolarHBondContact O-N 3.06Å
368	S	61.2	Low	69.2	Low	40 Å²	40	55.5 Å²	55.5	28%	0.28	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3	-178.2	73	0	0	0	0	114.8	L365 S366 T370	L365-S368 WeakPolarHBondContact O-CB 3.06Å; L365-S368 PolarHBondContact O-N 3.3Å; L365-S368 PolarHBondContact O-OG 3.43Å; S366-S368 PolarHBondContact O-N 2.88Å; S368-T370 PolarHBondContact O-N 3.25Å; S368-T370 PolarHBondContact OG-OG1 3.38Å
369	K	56.5	Low	69	Low	191 Å²	191	60.3 Å²	60.3	83%	0.83	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	9.5	179.5	-63.9	-175.6	-180	176.2	0	116.4	S366 S367	S366-K369 PolarHBondContact O-N 3.13Å; S367-K369 VanDerWaalsContact C-N 3.33Å; S367-K369 PolarHBondContact O-N 3.06Å
370	T	55.4	Low	69	Low	68 Å²	68	62.6 Å²	62.6	42%	0.417	32%	0.322	S	S	.	.			trans	-84	132.6	176.9	41.9	0	0	0	0	111.2	S368 Y372	S368-T370 PolarHBondContact O-N 3.25Å; S368-T370 PolarHBondContact OG-OG1 3.38Å; T370-Y372 VanDerWaalsContact O-CD2 3.28Å; T370-Y372 WeakPolarHBondContact O-CD2 3.24Å; T370-Y372 WeakPolarHBondContact O-CE2 3.47Å; T370-Y372 PolarHBondContact O-N 3.41Å; T370-Y372 WeakPolarHBondContact OG1-CE2 3.43Å; T370-Y372 PolarHBondContact OG1-OH 2.66Å
371	H	55.7	Low	69	Low	163 Å²	163	62.6 Å²	62.6	76%	0.755	32%	0.322	S	S	*	.			trans	-80.5	117	175.7	-70.9	-58.4	0	0	0	110.6
372	Y	56.4	Low	69.2	Low	96 Å²	96	63.9 Å²	63.9	38%	0.376	33%	0.329	S	S	.	.			trans	-110.1	145.1	175	-59.4	-80.9	0	0	0	111	L365 T370 V377	L365-Y372 HydrophobicContact CB-CE2 4.32Å; L365-Y372 HydrophobicContact CD2-CE2 3.86Å; T370-Y372 VanDerWaalsContact O-CD2 3.28Å; T370-Y372 WeakPolarHBondContact O-CD2 3.24Å; T370-Y372 WeakPolarHBondContact O-CE2 3.47Å; T370-Y372 PolarHBondContact O-N 3.41Å; T370-Y372 WeakPolarHBondContact OG1-CE2 3.43Å; T370-Y372 PolarHBondContact OG1-OH 2.66Å; Y372-V377 HydrophobicContact CG-CG2 3.96Å
373	K	56.6	Low	69.8	Low	158 Å²	158	65.7 Å²	65.7	69%	0.687	34%	0.343	S	S	*	.			trans	-72.7	131.3	164.1	-70.8	-179.8	-179.2	172.5	0	108.1	V375 D376 V377	K373-V375 VanDerWaalsContact C-N 3.26Å; K373-V375 PolarHBondContact O-N 3.23Å; K373-D376 HydrophobicContact CB-CB 4.43Å; K373-D376 WeakPolarHBondContact CB-OD2 3.23Å; K373-D376 PolarHBondContact O-N 3.45Å; K373-V377 PolarHBondContact O-N 3.07Å
374	L	62.3	Low	70.6	Confident	35 Å²	35	64.6 Å²	64.6	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-51.8	-43.8	-177.4	178.6	52.3	0	0	0	113.3	W314 V343 D376 V377 I378	W314-L374 HydrophobicContact CH2-CD1 4.25Å; W314-L374 HydrophobicContact CH2-CD2 3.54Å; W314-L374 HydrophobicContact CH2-CG 3.62Å; W314-L374 HydrophobicContact CZ2-CD1 4.33Å; W314-L374 HydrophobicContact CZ2-CD2 4.15Å; W314-L374 HydrophobicContact CZ2-CG 4.18Å; W314-L374 HydrophobicContact CZ3-CG 4.48Å; V343-L374 HydrophobicContact CB-CD1 3.83Å; V343-L374 HydrophobicContact CG1-CD1 3.2Å; V343-L374 HydrophobicContact CG1-CD2 3.3Å; V343-L374 HydrophobicContact CG1-CG 3.82Å; L374-D376 VanDerWaalsContact C-N 3.34Å; L374-D376 PolarHBondContact O-N 3.3Å; L374-V377 WeakPolarHBondContact O-CB 3.33Å; L374-V377 PolarHBondContact O-N 2.8Å; L374-I378 HydrophobicContact CD1-CD1 3.71Å; L374-I378 HydrophobicContact CD1-CG1 4.25Å; L374-I378 HydrophobicContact CG-CD1 3.78Å; L374-I378 WeakPolarHBondContact O-CD1 3.48Å; L374-I378 WeakPolarHBondContact O-CG1 3.38Å; L374-I378 PolarHBondContact O-N 2.77Å; L374-I378 VanDerWaalsContact O-N 3.14Å
375	V	64	Low	71.4	Confident	66 Å²	66	63.9 Å²	63.9	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-45.8	179.1	175.8	0	0	0	0	111.5	K373 V377 I378 D379	K373-V375 VanDerWaalsContact C-N 3.26Å; K373-V375 PolarHBondContact O-N 3.23Å; V375-V377 VanDerWaalsContact C-N 3.27Å; V375-V377 PolarHBondContact O-N 3.13Å; V375-I378 PolarHBondContact O-N 3.08Å; V375-I378 VanDerWaalsContact O-N 3.13Å; V375-D379 PolarHBondContact O-N 3.15Å; V375-D379 VanDerWaalsContact O-N 3.17Å
376	D	68	Low	72.3	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-36.5	-179.5	-55.9	-19	0	0	0	110.7	K373 L374 I378 E380	K373-D376 HydrophobicContact CB-CB 4.43Å; K373-D376 WeakPolarHBondContact CB-OD2 3.23Å; K373-D376 PolarHBondContact O-N 3.45Å; L374-D376 VanDerWaalsContact C-N 3.34Å; L374-D376 PolarHBondContact O-N 3.3Å; D376-I378 VanDerWaalsContact C-N 3.34Å; D376-I378 PolarHBondContact O-N 3.2Å; D376-E380 WeakPolarHBondContact O-CB 3.15Å; D376-E380 PolarHBondContact O-N 3.3Å
377	V	74.5	Confident	73.6	Confident	9 Å²	9	65.1 Å²	65.1	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-36.9	175.9	-179.3	0	0	0	0	111.9	L362 L365 Y372 K373 L374 V375 E380 V381	L362-V377 HydrophobicContact CD2-CG1 3.67Å; L365-V377 HydrophobicContact CD1-CG1 4.1Å; Y372-V377 HydrophobicContact CG-CG2 3.96Å; K373-V377 PolarHBondContact O-N 3.07Å; L374-V377 WeakPolarHBondContact O-CB 3.33Å; L374-V377 PolarHBondContact O-N 2.8Å; V375-V377 VanDerWaalsContact C-N 3.27Å; V375-V377 PolarHBondContact O-N 3.13Å; V377-E380 PolarHBondContact O-N 3.34Å; V377-V381 HydrophobicContact CG1-CG2 4.12Å; V377-V381 WeakPolarHBondContact O-CB 3.44Å; V377-V381 WeakPolarHBondContact O-CG2 3.48Å; V377-V381 PolarHBondContact O-N 3.1Å
378	I	78	Confident	75.1	Confident	4 Å²	4	62 Å²	62	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-77.1	-40.4	-175.4	-67.1	142.9	0	0	0	111.8	I310 W314 L374 V375 D376 E380 V381 L382	I310-I378 HydrophobicContact CG2-CG2 4.15Å; W314-I378 HydrophobicContact CD2-CD1 3.47Å; W314-I378 VanDerWaalsContact CD2-CD1 3.47Å; W314-I378 HydrophobicContact CD2-CG1 4.25Å; W314-I378 HydrophobicContact CD2-CG2 4.11Å; W314-I378 HydrophobicContact CE3-CD1 3.48Å; W314-I378 VanDerWaalsContact CE3-CD1 3.48Å; W314-I378 HydrophobicContact CG-CD1 4.43Å; W314-I378 HydrophobicContact CG-CG2 3.98Å; W314-I378 HydrophobicContact CH2-CD1 3.06Å; W314-I378 HydrophobicContact CH2-CG1 4.4Å; W314-I378 HydrophobicContact CZ2-CD1 3.03Å; W314-I378 HydrophobicContact CZ2-CG1 4.01Å; W314-I378 HydrophobicContact CZ3-CD1 3.25Å; L374-I378 HydrophobicContact CD1-CD1 3.71Å; L374-I378 HydrophobicContact CD1-CG1 4.25Å; L374-I378 HydrophobicContact CG-CD1 3.78Å; L374-I378 WeakPolarHBondContact O-CD1 3.48Å; L374-I378 WeakPolarHBondContact O-CG1 3.38Å; L374-I378 PolarHBondContact O-N 2.77Å; L374-I378 VanDerWaalsContact O-N 3.14Å; V375-I378 PolarHBondContact O-N 3.08Å; V375-I378 VanDerWaalsContact O-N 3.13Å; D376-I378 VanDerWaalsContact C-N 3.34Å; D376-I378 PolarHBondContact O-N 3.2Å; I378-E380 PolarHBondContact O-N 3.13Å; I378-V381 PolarHBondContact O-N 3.4Å; I378-L382 HydrophobicContact CG2-CD1 4.11Å; I378-L382 HydrophobicContact CG2-CG 4.37Å; I378-L382 WeakPolarHBondContact O-CB 3.34Å; I378-L382 WeakPolarHBondContact O-CG 3.47Å; I378-L382 PolarHBondContact O-N 3.28Å
379	D	81	Confident	76.7	Confident	102 Å²	102	60.1 Å²	60.1	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-38	173.9	-72.1	-19.2	0	0	0	109.9	V375 S383	V375-D379 PolarHBondContact O-N 3.15Å; V375-D379 VanDerWaalsContact O-N 3.17Å; D379-S383 WeakPolarHBondContact O-CB 3.38Å; D379-S383 PolarHBondContact O-N 3.18Å
380	E	81.9	Confident	78.6	Confident	72 Å²	72	57.4 Å²	57.4	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-45	174.3	-165.7	166	-135.6	0	0	113	Y234 D376 V377 I378 L382 S383 E384	Y234-E380 HydrophobicContact CE1-CG 3.96Å; Y234-E380 VanDerWaalsContact CZ-CD 3.48Å; Y234-E380 PolarHBondContact OH-OE1 3.46Å; Y234-E380 PolarHBondContact OH-OE2 3.09Å; D376-E380 WeakPolarHBondContact O-CB 3.15Å; D376-E380 PolarHBondContact O-N 3.3Å; V377-E380 PolarHBondContact O-N 3.34Å; I378-E380 PolarHBondContact O-N 3.13Å; E380-L382 VanDerWaalsContact C-N 3.31Å; E380-L382 PolarHBondContact O-N 3.3Å; E380-S383 WeakPolarHBondContact O-CB 3.47Å; E380-S383 PolarHBondContact O-N 3.16Å; E380-S383 VanDerWaalsContact O-N 3.16Å; E380-E384 PolarHBondContact O-N 2.89Å
381	V	85.3	Confident	80.5	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-47	172.6	167.1	0	0	0	0	110.6	I310 A358 L361 V377 I378 E384 Y385	I310-V381 HydrophobicContact CD1-CG1 4.03Å; A358-V381 HydrophobicContact CB-CG1 3.77Å; L361-V381 HydrophobicContact CD2-CB 4.49Å; L361-V381 HydrophobicContact CD2-CG2 3.7Å; V377-V381 HydrophobicContact CG1-CG2 4.12Å; V377-V381 WeakPolarHBondContact O-CB 3.44Å; V377-V381 WeakPolarHBondContact O-CG2 3.48Å; V377-V381 PolarHBondContact O-N 3.1Å; I378-V381 PolarHBondContact O-N 3.4Å; V381-E384 PolarHBondContact O-N 3.35Å; V381-Y385 HydrophobicContact CG1-CD2 3.64Å; V381-Y385 HydrophobicContact CG1-CE2 3.51Å; V381-Y385 VanDerWaalsContact O-CD2 3.23Å; V381-Y385 WeakPolarHBondContact O-CD2 3.42Å; V381-Y385 PolarHBondContact O-N 3.49Å
382	L	88.5	Confident	82.5	Confident	28 Å²	28	49.7 Å²	49.7	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-38.7	178.7	-72.1	174.3	0	0	0	111.9	R307 I310 Q311 I378 E380 E384 Y385 N386	R307-L382 HydrophobicContact CG-CD2 3.79Å; I310-L382 HydrophobicContact CB-CD2 4.27Å; I310-L382 HydrophobicContact CG2-CD2 3.88Å; I310-L382 HydrophobicContact CG2-CG 4.29Å; Q311-L382 HydrophobicContact CG-CD1 4.37Å; Q311-L382 HydrophobicContact CG-CD2 3.81Å; I378-L382 HydrophobicContact CG2-CD1 4.11Å; I378-L382 HydrophobicContact CG2-CG 4.37Å; I378-L382 WeakPolarHBondContact O-CB 3.34Å; I378-L382 WeakPolarHBondContact O-CG 3.47Å; I378-L382 PolarHBondContact O-N 3.28Å; E380-L382 VanDerWaalsContact C-N 3.31Å; E380-L382 PolarHBondContact O-N 3.3Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.32Å; L382-Y385 PolarHBondContact O-N 3.46Å; L382-N386 VanDerWaalsContact O-CG 3.22Å; L382-N386 PolarHBondContact O-N 2.6Å; L382-N386 PolarHBondContact O-ND2 2.99Å; L382-N386 VanDerWaalsContact O-ND2 3.09Å
383	S	89.1	Confident	84.4	Confident	64 Å²	64	45.3 Å²	45.3	45%	0.448	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-44.4	172.7	-179.4	0	0	0	0	111.4	D379 E380 N386 R387	D379-S383 WeakPolarHBondContact O-CB 3.38Å; D379-S383 PolarHBondContact O-N 3.18Å; E380-S383 WeakPolarHBondContact O-CB 3.47Å; E380-S383 PolarHBondContact O-N 3.16Å; E380-S383 VanDerWaalsContact O-N 3.16Å; S383-N386 WeakPolarHBondContact O-CB 3.36Å; S383-N386 PolarHBondContact O-N 3.21Å; S383-R387 PolarHBondContact O-N 3.46Å
384	E	90.3	Very high	86.4	Confident	24 Å²	24	43.5 Å²	43.5	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-70.2	-39.3	178.8	-73.3	-56.9	108	0	0	112.9	Y234 F357 E380 V381 L382 N386 R387 I388	Y234-E384 HydrophobicContact CD1-CG 3.63Å; Y234-E384 HydrophobicContact CE1-CG 4.14Å; Y234-E384 HydrophobicContact CG-CG 4.24Å; F357-E384 HydrophobicContact CE1-CB 3.6Å; F357-E384 HydrophobicContact CZ-CB 3.71Å; E380-E384 PolarHBondContact O-N 2.89Å; V381-E384 PolarHBondContact O-N 3.35Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.32Å; E384-N386 PolarHBondContact O-N 2.88Å; E384-R387 WeakPolarHBondContact O-CB 3.46Å; E384-R387 PolarHBondContact O-N 3.34Å; E384-R387 VanDerWaalsContact O-N 3.08Å; E384-R387 IonicContact OE1-NE 3.58Å; E384-R387 PolarHBondContact OE1-NE 3.43Å; E384-R387 IonicContact OE2-CZ 2.62Å; E384-R387 IonicContact OE2-NE 3.08Å; E384-R387 PolarHBondContact OE2-NE 3.32Å; E384-R387 IonicContact OE2-NH2 2.92Å; E384-R387 PolarHBondContact OE2-NH2 3.16Å; E384-I388 WeakPolarHBondContact O-CG1 3.49Å; E384-I388 PolarHBondContact O-N 3.09Å
385	Y	91.9	Very high	88.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-53.4	-45.5	168.1	-90.3	-66.7	0	0	0	111.2	L303 E306 R307 I310 F357 A358 V381 L382 R387 G389	L303-Y385 HydrophobicContact CD1-CD1 4.03Å; L303-Y385 HydrophobicContact CD2-CD1 4.48Å; L303-Y385 HydrophobicContact CG-CD1 3.83Å; L303-Y385 HydrophobicContact CG-CE1 4.36Å; E306-Y385 HydrophobicContact CB-CE1 3.77Å; E306-Y385 WeakPolarHBondContact OE2-CE1 3.32Å; E306-Y385 PolarHBondContact OE2-OH 3.4Å; R307-Y385 HydrophobicContact CB-CD1 4.19Å; R307-Y385 HydrophobicContact CB-CG 4.08Å; R307-Y385 HydrophobicContact CG-CG 4.3Å; I310-Y385 HydrophobicContact CD1-CD2 4.11Å; I310-Y385 HydrophobicContact CD1-CE2 3.28Å; F357-Y385 HydrophobicContact CB-CE1 3.78Å; F357-Y385 HydrophobicContact CB-CE2 4.47Å; F357-Y385 HydrophobicContact CD1-CD1 4.12Å; F357-Y385 AromaticContact CD1-CD2 3.98Å; F357-Y385 HydrophobicContact CD1-CD2 3.98Å; F357-Y385 AromaticContact CD1-CE1 3.98Å; F357-Y385 HydrophobicContact CD1-CE1 3.98Å; F357-Y385 AromaticContact CD1-CE2 3.75Å; F357-Y385 HydrophobicContact CD1-CE2 3.75Å; F357-Y385 HydrophobicContact CD1-CG 4.14Å; F357-Y385 AromaticContact CD1-CZ 3.79Å; F357-Y385 HydrophobicContact CG-CE1 4.32Å; F357-Y385 PolarHBondContact N-OH 2.87Å; A358-Y385 HydrophobicContact CB-CE2 4.2Å; A358-Y385 PolarHBondContact N-OH 3.5Å; V381-Y385 HydrophobicContact CG1-CD2 3.64Å; V381-Y385 HydrophobicContact CG1-CE2 3.51Å; V381-Y385 VanDerWaalsContact O-CD2 3.23Å; V381-Y385 WeakPolarHBondContact O-CD2 3.42Å; V381-Y385 PolarHBondContact O-N 3.49Å; L382-Y385 PolarHBondContact O-N 3.46Å; Y385-R387 VanDerWaalsContact C-N 3.33Å; Y385-R387 PolarHBondContact O-N 3.11Å; Y385-G389 PolarHBondContact O-N 3.38Å
386	N	92.7	Very high	89.7	Confident	34 Å²	34	43 Å²	43	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-35.4	178.3	-67.7	-33	0	0	0	112.3	R307 L382 S383 E384 R390	R307-N386 WeakPolarHBondContact CD-OD1 3.35Å; R307-N386 PolarHBondContact NH1-OD1 2.94Å; R307-N386 VanDerWaalsContact NH1-OD1 3.11Å; L382-N386 VanDerWaalsContact O-CG 3.22Å; L382-N386 PolarHBondContact O-N 2.6Å; L382-N386 PolarHBondContact O-ND2 2.99Å; L382-N386 VanDerWaalsContact O-ND2 3.09Å; S383-N386 WeakPolarHBondContact O-CB 3.36Å; S383-N386 PolarHBondContact O-N 3.21Å; E384-N386 PolarHBondContact O-N 2.88Å; N386-R390 WeakPolarHBondContact O-CG 3.37Å; N386-R390 PolarHBondContact O-N 3.1Å; N386-R390 PolarHBondContact O-NH1 3.28Å
387	R	93.3	Very high	91.1	Very high	55 Å²	55	41.4 Å²	41.4	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-53	176.1	-171.4	-179.7	68.9	100.6	-12.3	111.6	E235 S383 E384 Y385 G389 R390 E391	E235-R387 IonicContact OE1-CZ 3.09Å; E235-R387 IonicContact OE1-NH1 2.79Å; E235-R387 PolarHBondContact OE1-NH1 2.96Å; E235-R387 IonicContact OE1-NH2 2.77Å; E235-R387 PolarHBondContact OE1-NH2 2.65Å; S383-R387 PolarHBondContact O-N 3.46Å; E384-R387 WeakPolarHBondContact O-CB 3.46Å; E384-R387 PolarHBondContact O-N 3.34Å; E384-R387 VanDerWaalsContact O-N 3.08Å; E384-R387 IonicContact OE1-NE 3.58Å; E384-R387 PolarHBondContact OE1-NE 3.43Å; E384-R387 IonicContact OE2-CZ 2.62Å; E384-R387 IonicContact OE2-NE 3.08Å; E384-R387 PolarHBondContact OE2-NE 3.32Å; E384-R387 IonicContact OE2-NH2 2.92Å; E384-R387 PolarHBondContact OE2-NH2 3.16Å; Y385-R387 VanDerWaalsContact C-N 3.33Å; Y385-R387 PolarHBondContact O-N 3.11Å; R387-G389 VanDerWaalsContact C-N 3.26Å; R387-G389 PolarHBondContact O-N 2.97Å; R387-R390 PolarHBondContact O-N 3.33Å; R387-E391 IonicContact NH1-OE1 2.66Å; R387-E391 PolarHBondContact NH1-OE1 2.97Å; R387-E391 PolarHBondContact O-N 3.13Å
388	I	94.4	Very high	92.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-40.7	178	-59.4	167.9	0	0	0	110	K238 W241 L303 F357 E384 R390 E391 L392	K238-I388 HydrophobicContact CB-CD1 3.95Å; K238-I388 HydrophobicContact CB-CG1 4.48Å; K238-I388 HydrophobicContact CD-CD1 4.24Å; K238-I388 HydrophobicContact CD-CG1 3.86Å; K238-I388 HydrophobicContact CG-CD1 3.78Å; K238-I388 HydrophobicContact CG-CG1 3.89Å; W241-I388 HydrophobicContact CZ3-CG2 4.08Å; L303-I388 HydrophobicContact CD1-CB 3.74Å; L303-I388 HydrophobicContact CD1-CG2 3.46Å; L303-I388 VanDerWaalsContact CD1-CG2 3.46Å; F357-I388 HydrophobicContact CD1-CD1 4.25Å; F357-I388 HydrophobicContact CD2-CD1 3.88Å; F357-I388 HydrophobicContact CE1-CD1 4.03Å; F357-I388 HydrophobicContact CE2-CD1 3.63Å; F357-I388 HydrophobicContact CG-CD1 4.18Å; F357-I388 HydrophobicContact CZ-CD1 3.71Å; E384-I388 WeakPolarHBondContact O-CG1 3.49Å; E384-I388 PolarHBondContact O-N 3.09Å; I388-R390 PolarHBondContact O-N 2.91Å; I388-E391 PolarHBondContact O-N 3.35Å; I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 HydrophobicContact CG2-CG 4.37Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.14Å
389	G	95.6	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-44.5	176.3	0	0	0	0	0	113.3	L303 Y385 R387 E391 L392 A393 C446	L303-G389 VanDerWaalsContact CD2-CA 3.49Å; Y385-G389 PolarHBondContact O-N 3.38Å; R387-G389 VanDerWaalsContact C-N 3.26Å; R387-G389 PolarHBondContact O-N 2.97Å; G389-E391 PolarHBondContact O-N 2.67Å; G389-L392 PolarHBondContact O-N 3.26Å; G389-A393 WeakPolarHBondContact O-CB 2.97Å; G389-A393 PolarHBondContact O-N 3.49Å; G389-C446 VanDerWaalsContact C-SG 3.52Å; G389-C446 WeakPolarHBondContact CA-SG 3.1Å
390	R	95.5	Very high	94	Very high	133 Å²	133	42.5 Å²	42.5	50%	0.502	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-42.9	174.5	-75.9	-173.9	-61	-91.5	2.9	112.4	N386 R387 I388 A393 Q394	N386-R390 WeakPolarHBondContact O-CG 3.37Å; N386-R390 PolarHBondContact O-N 3.1Å; N386-R390 PolarHBondContact O-NH1 3.28Å; R387-R390 PolarHBondContact O-N 3.33Å; I388-R390 PolarHBondContact O-N 2.91Å; R390-A393 PolarHBondContact O-N 3.05Å; R390-Q394 WeakPolarHBondContact O-CB 3.32Å; R390-Q394 PolarHBondContact O-N 3Å
391	E	95.7	Very high	94.7	Very high	59 Å²	59	42.9 Å²	42.9	28%	0.276	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-44.5	177.9	-68.1	179.1	-151.4	0	0	112.1	K238 R387 I388 G389 Q394 K395	K238-E391 VanDerWaalsContact CE-OE2 3.29Å; K238-E391 WeakPolarHBondContact CE-OE2 3.39Å; K238-E391 IonicContact NZ-OE1 3.24Å; K238-E391 PolarHBondContact NZ-OE1 2.86Å; K238-E391 IonicContact NZ-OE2 2.69Å; K238-E391 PolarHBondContact NZ-OE2 3.15Å; R387-E391 IonicContact NH1-OE1 2.66Å; R387-E391 PolarHBondContact NH1-OE1 2.97Å; R387-E391 PolarHBondContact O-N 3.13Å; I388-E391 PolarHBondContact O-N 3.35Å; G389-E391 PolarHBondContact O-N 2.67Å; E391-Q394 PolarHBondContact O-N 3.5Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.49Å; E391-K395 VanDerWaalsContact O-N 3.09Å
392	L	97	Very high	95.1	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-39.8	176.9	-72.7	176.2	0	0	0	111.8	W241 L242 T296 C299 L300 L303 I388 G389 K395 L396	W241-L392 HydrophobicContact CZ3-CD1 4.44Å; L242-L392 HydrophobicContact CD2-CD1 4.33Å; L242-L392 HydrophobicContact CD2-CD2 4.17Å; T296-L392 HydrophobicContact CG2-CD2 4.21Å; T296-L392 WeakPolarHBondContact CG2-O 3.21Å; C299-L392 HydrophobicContact CB-CD1 4.06Å; C299-L392 HydrophobicContact CB-CD2 4.28Å; L300-L392 HydrophobicContact CB-CB 4.37Å; L300-L392 HydrophobicContact CD1-CB 3.95Å; L303-L392 HydrophobicContact CD1-CD1 4.24Å; I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 HydrophobicContact CG2-CG 4.37Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.14Å; G389-L392 PolarHBondContact O-N 3.26Å; L392-K395 PolarHBondContact O-N 2.96Å; L392-L396 WeakPolarHBondContact O-CB 3.43Å; L392-L396 PolarHBondContact O-N 3.17Å
393	A	97.5	Very high	95.4	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-43.2	175.6	0	0	0	0	0	111.8	L300 G389 R390 L396 R397 I443	L300-A393 HydrophobicContact CD2-CB 4.25Å; G389-A393 WeakPolarHBondContact O-CB 2.97Å; G389-A393 PolarHBondContact O-N 3.49Å; R390-A393 PolarHBondContact O-N 3.05Å; A393-L396 PolarHBondContact O-N 3.37Å; A393-R397 PolarHBondContact O-N 3.39Å; A393-I443 HydrophobicContact CB-CB 4.42Å; A393-I443 HydrophobicContact CB-CD1 4.07Å; A393-I443 HydrophobicContact CB-CG1 3.84Å; A393-I443 HydrophobicContact CB-CG2 4.09Å; A393-I443 VanDerWaalsContact O-CD1 3.24Å; A393-I443 WeakPolarHBondContact O-CD1 3.32Å
394	Q	97.4	Very high	95.5	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	20%	0.196	S	C	*	.	H	α-helix	trans	-60.8	-49.9	175	-178	-178	-15.6	0	0	111.1	R390 E391 L396 R397 E398	R390-Q394 WeakPolarHBondContact O-CB 3.32Å; R390-Q394 PolarHBondContact O-N 3Å; E391-Q394 PolarHBondContact O-N 3.5Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; Q394-L396 PolarHBondContact O-N 2.85Å; Q394-R397 WeakPolarHBondContact O-CB 3.22Å; Q394-R397 PolarHBondContact O-N 3.5Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.49Å; Q394-E398 PolarHBondContact NE2-OE1 2.97Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 2.73Å
395	K	97.9	Very high	95.5	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-40.7	177.7	-72.7	175.4	-177.9	171.7	0	112.2	T296 E391 L392 R397 E398 Y399	T296-K395 HydrophobicContact CG2-CB 4.12Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.49Å; E391-K395 VanDerWaalsContact O-N 3.09Å; L392-K395 PolarHBondContact O-N 2.96Å; K395-R397 VanDerWaalsContact C-N 3.32Å; K395-R397 PolarHBondContact O-N 3.4Å; K395-E398 PolarHBondContact O-N 2.92Å; K395-Y399 HydrophobicContact CB-CE2 4.08Å; K395-Y399 WeakPolarHBondContact O-CD2 3.24Å; K395-Y399 PolarHBondContact O-N 2.88Å
396	L	98.3	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-43.8	177.3	-175.1	66	0	0	0	111.2	F293 T296 W297 L300 L392 A393 Q394 Y399 F400 V439 L442	F293-L396 HydrophobicContact CD2-CD1 3.61Å; F293-L396 HydrophobicContact CE2-CD1 3.54Å; F293-L396 HydrophobicContact CE2-CG 4.29Å; F293-L396 HydrophobicContact CG-CD1 4.4Å; F293-L396 HydrophobicContact CZ-CD1 4.28Å; T296-L396 HydrophobicContact CG2-CB 3.92Å; T296-L396 HydrophobicContact CG2-CD1 4.42Å; W297-L396 HydrophobicContact CB-CD1 4.07Å; W297-L396 HydrophobicContact CE3-CD1 4.34Å; W297-L396 HydrophobicContact CE3-CD2 4.12Å; L300-L396 HydrophobicContact CD2-CD2 3.73Å; L392-L396 WeakPolarHBondContact O-CB 3.43Å; L392-L396 PolarHBondContact O-N 3.17Å; A393-L396 PolarHBondContact O-N 3.37Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; Q394-L396 PolarHBondContact O-N 2.85Å; L396-Y399 PolarHBondContact O-N 2.69Å; L396-F400 WeakPolarHBondContact O-CB 3.43Å; L396-F400 PolarHBondContact O-N 3.33Å; L396-V439 HydrophobicContact CD2-CG1 4.05Å; L396-V439 HydrophobicContact CG-CG1 4.09Å; L396-L442 HydrophobicContact CD2-CD2 3.91Å
397	R	98.1	Very high	94.8	Very high	59 Å²	59	46.9 Å²	46.9	22%	0.223	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-50.2	174.7	-177.3	60.9	55.8	-167.3	3.8	111.4	A393 Q394 K395 Y399 F400 D401 D440 I443	A393-R397 PolarHBondContact O-N 3.39Å; Q394-R397 WeakPolarHBondContact O-CB 3.22Å; Q394-R397 PolarHBondContact O-N 3.5Å; K395-R397 VanDerWaalsContact C-N 3.32Å; K395-R397 PolarHBondContact O-N 3.4Å; R397-Y399 VanDerWaalsContact C-N 3.31Å; R397-Y399 PolarHBondContact O-N 3.05Å; R397-F400 PolarHBondContact O-N 2.94Å; R397-F400 VanDerWaalsContact O-N 3.1Å; R397-D401 WeakPolarHBondContact CD-OD1 3.37Å; R397-D401 WeakPolarHBondContact CG-OD2 3.49Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.42Å; R397-D440 IonicContact CZ-OD1 3.36Å; R397-D440 IonicContact NH1-OD1 3.44Å; R397-D440 PolarHBondContact NH1-OD1 3.23Å; R397-D440 IonicContact NH2-OD1 2.73Å; R397-D440 PolarHBondContact NH2-OD1 3.34Å; R397-I443 HydrophobicContact CB-CD1 4.14Å
398	E	98	Very high	94.1	Very high	82 Å²	82	47 Å²	47	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-57.8	-41.9	-179.7	-72.2	170.3	-173.4	0	0	112.1	Q394 K395 Q402	Q394-E398 WeakPolarHBondContact CG-OE1 3.49Å; Q394-E398 PolarHBondContact NE2-OE1 2.97Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 2.73Å; K395-E398 PolarHBondContact O-N 2.92Å; E398-Q402 VanDerWaalsContact O-CG 3.3Å; E398-Q402 WeakPolarHBondContact O-CG 3.21Å; E398-Q402 PolarHBondContact O-N 3.46Å; E398-Q402 PolarHBondContact O-NE2 3.39Å
399	Y	98.2	Very high	93.1	Very high	39 Å²	39	50 Å²	50	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-70.6	-38	176	-62.8	-46	0	0	0	112.4	I289 R292 T296 K395 L396 R397 Q402 M403	I289-Y399 WeakPolarHBondContact CG2-O 3.31Å; R292-Y399 HydrophobicContact CB-CD1 4.06Å; R292-Y399 HydrophobicContact CB-CD2 3.92Å; R292-Y399 HydrophobicContact CB-CE1 3.88Å; R292-Y399 HydrophobicContact CB-CE2 3.7Å; R292-Y399 HydrophobicContact CB-CG 4.11Å; R292-Y399 HydrophobicContact CG-CE1 4.39Å; T296-Y399 WeakPolarHBondContact OG1-CE2 3.36Å; K395-Y399 HydrophobicContact CB-CE2 4.08Å; K395-Y399 WeakPolarHBondContact O-CD2 3.24Å; K395-Y399 PolarHBondContact O-N 2.88Å; L396-Y399 PolarHBondContact O-N 2.69Å; R397-Y399 VanDerWaalsContact C-N 3.31Å; R397-Y399 PolarHBondContact O-N 3.05Å; Y399-Q402 PolarHBondContact O-N 2.66Å; Y399-M403 WeakPolarHBondContact O-CG 3.38Å; Y399-M403 PolarHBondContact O-N 3.41Å
400	F	97.5	Very high	91.9	Very high	16 Å²	16	50.4 Å²	50.4	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-45.2	175.6	176.8	-102.1	0	0	0	112	F293 L396 R397 Q402 M403 V404 I432 L435 V439	F293-F400 HydrophobicContact CD2-CB 4.3Å; F293-F400 HydrophobicContact CE2-CB 4.06Å; F293-F400 HydrophobicContact CE2-CD2 4.29Å; L396-F400 WeakPolarHBondContact O-CB 3.43Å; L396-F400 PolarHBondContact O-N 3.33Å; R397-F400 PolarHBondContact O-N 2.94Å; R397-F400 VanDerWaalsContact O-N 3.1Å; F400-Q402 VanDerWaalsContact C-N 3.27Å; F400-Q402 PolarHBondContact O-N 3.14Å; F400-M403 WeakPolarHBondContact O-CA 3.39Å; F400-M403 WeakPolarHBondContact O-CB 3.47Å; F400-M403 PolarHBondContact O-N 3.17Å; F400-V404 HydrophobicContact CD1-CG2 4.15Å; F400-V404 HydrophobicContact CE1-CG2 3.54Å; F400-V404 HydrophobicContact CE2-CG2 4.06Å; F400-V404 HydrophobicContact CZ-CG2 3.47Å; F400-V404 VanDerWaalsContact CZ-CG2 3.47Å; F400-V404 PolarHBondContact O-N 3.44Å; F400-I432 HydrophobicContact CE2-CG1 4.07Å; F400-I432 HydrophobicContact CZ-CG1 4.43Å; F400-L435 HydrophobicContact CD2-CD2 4.36Å; F400-L435 HydrophobicContact CD2-CG 4.31Å; F400-L435 HydrophobicContact CE2-CB 4.15Å; F400-L435 HydrophobicContact CE2-CD2 4.28Å; F400-L435 HydrophobicContact CE2-CG 4.09Å; F400-V439 HydrophobicContact CB-CG2 4.34Å; F400-V439 HydrophobicContact CD2-CG2 4.05Å; F400-V439 HydrophobicContact CG-CG2 4.14Å
401	D	96.1	Very high	90.6	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-36.7	179.2	-64.8	-15.1	0	0	0	111	R397 V404 F405	R397-D401 WeakPolarHBondContact CD-OD1 3.37Å; R397-D401 WeakPolarHBondContact CG-OD2 3.49Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.42Å; D401-V404 PolarHBondContact O-N 3.05Å; D401-F405 WeakPolarHBondContact O-CB 3.28Å; D401-F405 PolarHBondContact O-N 3.21Å
402	Q	94.9	Very high	89	Confident	74 Å²	74	42.3 Å²	42.3	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-38.9	170.7	-74.8	170.4	67	0	0	112.6	I289 E398 Y399 F400 N406	I289-Q402 HydrophobicContact CD1-CB 4.01Å; I289-Q402 HydrophobicContact CG1-CB 4.49Å; I289-Q402 HydrophobicContact CG2-CB 4.09Å; E398-Q402 VanDerWaalsContact O-CG 3.3Å; E398-Q402 WeakPolarHBondContact O-CG 3.21Å; E398-Q402 PolarHBondContact O-N 3.46Å; E398-Q402 PolarHBondContact O-NE2 3.39Å; Y399-Q402 PolarHBondContact O-N 2.66Å; F400-Q402 VanDerWaalsContact C-N 3.27Å; F400-Q402 PolarHBondContact O-N 3.14Å; Q402-N406 VanDerWaalsContact O-CB 3.26Å; Q402-N406 WeakPolarHBondContact O-CB 3.34Å; Q402-N406 PolarHBondContact O-N 2.9Å; Q402-N406 PolarHBondContact O-ND2 3.22Å
403	M	93.7	Very high	87.3	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-40.8	173.7	-68.8	176	60.2	0	0	111.9	V96 Y100 I289 F293 Y399 F400 N406 A407 I432 L435	V96-M403 HydrophobicContact CB-CE 4.48Å; V96-M403 HydrophobicContact CG1-CE 3.97Å; V96-M403 HydrophobicContact CG2-CE 4.17Å; Y100-M403 HydrophobicContact CE2-CE 4.35Å; Y100-M403 WeakPolarHBondContact OH-CA 3.49Å; Y100-M403 PolarHBondContact OH-O 3.22Å; I289-M403 HydrophobicContact CG2-CG 3.56Å; F293-M403 HydrophobicContact CB-SD 3.88Å; F293-M403 HydrophobicContact CD1-SD 4.08Å; F293-M403 HydrophobicContact CD2-SD 4.04Å; F293-M403 HydrophobicContact CG-SD 3.71Å; Y399-M403 WeakPolarHBondContact O-CG 3.38Å; Y399-M403 PolarHBondContact O-N 3.41Å; F400-M403 WeakPolarHBondContact O-CA 3.39Å; F400-M403 WeakPolarHBondContact O-CB 3.47Å; F400-M403 PolarHBondContact O-N 3.17Å; M403-N406 PolarHBondContact O-N 3.36Å; M403-A407 WeakPolarHBondContact O-CB 3.42Å; M403-A407 PolarHBondContact O-N 3.27Å; M403-I432 HydrophobicContact CB-CD1 4.29Å; M403-I432 WeakPolarHBondContact O-CD1 3.41Å; M403-L435 HydrophobicContact CE-CD2 3.98Å
404	V	91.9	Very high	85.3	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.176	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-52	176	168.2	0	0	0	0	110.3	F400 D401 N406 A407 E408 I432	F400-V404 HydrophobicContact CD1-CG2 4.15Å; F400-V404 HydrophobicContact CE1-CG2 3.54Å; F400-V404 HydrophobicContact CE2-CG2 4.06Å; F400-V404 HydrophobicContact CZ-CG2 3.47Å; F400-V404 VanDerWaalsContact CZ-CG2 3.47Å; F400-V404 PolarHBondContact O-N 3.44Å; D401-V404 PolarHBondContact O-N 3.05Å; V404-N406 VanDerWaalsContact C-N 3.31Å; V404-N406 PolarHBondContact O-N 3.18Å; V404-A407 PolarHBondContact O-N 3.47Å; V404-A407 VanDerWaalsContact O-N 3.09Å; V404-E408 HydrophobicContact CG1-CG 4.49Å; V404-E408 WeakPolarHBondContact O-CG 3.24Å; V404-E408 PolarHBondContact O-N 2.88Å; V404-I432 HydrophobicContact CB-CD1 4.47Å; V404-I432 HydrophobicContact CG2-CD1 3.99Å; V404-I432 HydrophobicContact CG2-CG1 4.14Å
405	F	89.3	Confident	83.6	Confident	115 Å²	115	43.9 Å²	43.9	50%	0.504	22%	0.215	S	C	.	.	H	α-helix	trans	-55.4	-47.3	177	179.9	-98.8	0	0	0	111.6	D401 A407 E408 Q409	D401-F405 WeakPolarHBondContact O-CB 3.28Å; D401-F405 PolarHBondContact O-N 3.21Å; F405-A407 VanDerWaalsContact C-N 3.33Å; F405-A407 PolarHBondContact O-N 3.1Å; F405-E408 PolarHBondContact O-N 3.37Å; F405-Q409 HydrophobicContact CD1-CG 4.23Å; F405-Q409 HydrophobicContact CE1-CG 3.87Å; F405-Q409 HydrophobicContact CE2-CG 4.27Å; F405-Q409 HydrophobicContact CZ-CG 3.89Å; F405-Q409 WeakPolarHBondContact O-CG 3.27Å; F405-Q409 PolarHBondContact O-N 3.16Å
406	N	86.7	Confident	81.6	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-39.6	177.3	-78.5	-11.6	0	0	0	113	Y100 F286 I289 Q402 M403 V404 F410	Y100-N406 HydrophobicContact CE1-CB 4.13Å; F286-N406 HydrophobicContact CD1-CB 4.12Å; F286-N406 VanDerWaalsContact CD1-ND2 3.35Å; F286-N406 WeakPolarHBondContact CD1-ND2 3.33Å; F286-N406 HydrophobicContact CD2-CB 4.23Å; F286-N406 HydrophobicContact CE1-CB 3.58Å; F286-N406 WeakPolarHBondContact CE1-ND2 3.47Å; F286-N406 WeakPolarHBondContact CE1-OD1 3.36Å; F286-N406 HydrophobicContact CE2-CB 3.72Å; F286-N406 HydrophobicContact CG-CB 4.43Å; F286-N406 HydrophobicContact CZ-CB 3.37Å; I289-N406 VanDerWaalsContact CD1-ND2 3.31Å; I289-N406 WeakPolarHBondContact CD1-ND2 3.4Å; Q402-N406 VanDerWaalsContact O-CB 3.26Å; Q402-N406 WeakPolarHBondContact O-CB 3.34Å; Q402-N406 PolarHBondContact O-N 2.9Å; Q402-N406 PolarHBondContact O-ND2 3.22Å; M403-N406 PolarHBondContact O-N 3.36Å; V404-N406 VanDerWaalsContact C-N 3.31Å; V404-N406 PolarHBondContact O-N 3.18Å; N406-F410 WeakPolarHBondContact O-CB 3.42Å; N406-F410 PolarHBondContact O-N 3.01Å
407	A	83.1	Confident	79.6	Confident	2 Å²	2	54.3 Å²	54.3	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-71.6	-35.5	178.3	0	0	0	0	0	112.8	Y100 M403 V404 F405 F410 N411 I432	Y100-A407 HydrophobicContact CD1-CB 4.24Å; Y100-A407 HydrophobicContact CE1-CB 3.89Å; M403-A407 WeakPolarHBondContact O-CB 3.42Å; M403-A407 PolarHBondContact O-N 3.27Å; V404-A407 PolarHBondContact O-N 3.47Å; V404-A407 VanDerWaalsContact O-N 3.09Å; F405-A407 VanDerWaalsContact C-N 3.33Å; F405-A407 PolarHBondContact O-N 3.1Å; A407-F410 CarbonylContact O-C 3.57Å; A407-F410 PolarHBondContact O-N 3.22Å; A407-N411 PolarHBondContact O-N 3.49Å; A407-N411 PolarHBondContact O-ND2 2.84Å; A407-I432 HydrophobicContact CB-CD1 3.65Å
408	E	79.6	Confident	77.8	Confident	58 Å²	58	58.1 Å²	58.1	27%	0.271	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-41	175.6	-71.3	176.4	165.6	0	0	111.9	V404 F405 F410 E424 T425	V404-E408 HydrophobicContact CG1-CG 4.49Å; V404-E408 WeakPolarHBondContact O-CG 3.24Å; V404-E408 PolarHBondContact O-N 2.88Å; F405-E408 PolarHBondContact O-N 3.37Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-E424 WeakPolarHBondContact O-CA 3.31Å; E408-T425 WeakPolarHBondContact CA-O 3.12Å; E408-T425 PolarHBondContact O-N 3.01Å; E408-T425 VanDerWaalsContact O-N 3.13Å
409	Q	73.1	Confident	75.9	Confident	64 Å²	64	56.2 Å²	56.2	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-35.6	175.3	-67.3	-67.3	-44.7	0	0	112.2	F405 E424	F405-Q409 HydrophobicContact CD1-CG 4.23Å; F405-Q409 HydrophobicContact CE1-CG 3.87Å; F405-Q409 HydrophobicContact CE2-CG 4.27Å; F405-Q409 HydrophobicContact CZ-CG 3.89Å; F405-Q409 WeakPolarHBondContact O-CG 3.27Å; F405-Q409 PolarHBondContact O-N 3.16Å; Q409-E424 PolarHBondContact OE1-OE1 3.25Å
410	F	70.4	Confident	74.2	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.035	30%	0.296	C	S	.	.	S	Bend	trans	-116.6	69.3	-176.8	-175.5	-99.4	0	0	0	111.1	I268 P281 W283 F286 N406 A407 E408 I412 I422	I268-F410 HydrophobicContact CD1-CE1 3.61Å; I268-F410 HydrophobicContact CD1-CZ 3.84Å; I268-F410 HydrophobicContact CG2-CZ 3.81Å; P281-F410 HydrophobicContact CB-CB 4.36Å; P281-F410 HydrophobicContact CB-CD2 3.84Å; P281-F410 HydrophobicContact CB-CE2 4.4Å; P281-F410 HydrophobicContact CB-CG 4.05Å; P281-F410 HydrophobicContact CG-CD2 3.42Å; P281-F410 VanDerWaalsContact CG-CD2 3.42Å; P281-F410 HydrophobicContact CG-CE2 3.49Å; P281-F410 VanDerWaalsContact CG-CE2 3.49Å; P281-F410 HydrophobicContact CG-CG 3.99Å; P281-F410 HydrophobicContact CG-CZ 4.16Å; W283-F410 HydrophobicContact CH2-CE1 4.11Å; W283-F410 AromaticContact CZ2-CE1 3.99Å; W283-F410 HydrophobicContact CZ2-CE1 3.99Å; W283-F410 HydrophobicContact CZ2-CZ 4.07Å; F286-F410 HydrophobicContact CE2-CB 4.28Å; F286-F410 HydrophobicContact CZ-CB 4.29Å; N406-F410 WeakPolarHBondContact O-CB 3.42Å; N406-F410 PolarHBondContact O-N 3.01Å; A407-F410 CarbonylContact O-C 3.57Å; A407-F410 PolarHBondContact O-N 3.22Å; E408-F410 VanDerWaalsContact C-N 3.33Å; F410-I412 HydrophobicContact CE1-CD1 3.92Å; F410-I412 HydrophobicContact CE1-CG1 3.97Å; F410-I412 HydrophobicContact CZ-CD1 3.95Å; F410-I412 HydrophobicContact CZ-CG1 3.95Å; F410-I422 HydrophobicContact CD2-CD1 4.44Å; F410-I422 HydrophobicContact CD2-CG1 4.49Å; F410-I422 HydrophobicContact CD2-CG2 3.75Å; F410-I422 HydrophobicContact CE2-CD1 3.56Å; F410-I422 HydrophobicContact CE2-CG1 3.78Å; F410-I422 HydrophobicContact CE2-CG2 3.9Å; F410-I422 HydrophobicContact CZ-CD1 4.26Å; F410-I422 HydrophobicContact CZ-CG1 4.28Å
411	N	67	Low	72.4	Confident	15 Å²	15	55.9 Å²	55.9	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.7	173.5	-105.2	-44.4	0	0	0	110.5	A407 I422 K423 T425 N427	A407-N411 PolarHBondContact O-N 3.49Å; A407-N411 PolarHBondContact O-ND2 2.84Å; N411-I422 CarbonylContact O-C 3.56Å; N411-I422 WeakPolarHBondContact O-CA 3.41Å; N411-K423 CarbonylContact C-O 3.58Å; N411-K423 WeakPolarHBondContact CA-O 3.35Å; N411-K423 WeakPolarHBondContact CB-O 3.45Å; N411-K423 PolarHBondContact N-O 3.06Å; N411-K423 PolarHBondContact O-N 3.29Å; N411-T425 HydrophobicContact CB-CG2 3.8Å; N411-T425 PolarHBondContact ND2-O 3.38Å; N411-T425 VanDerWaalsContact ND2-O 3.16Å; N411-T425 PolarHBondContact ND2-OG1 3.17Å; N411-N427 PolarHBondContact ND2-O 3.01Å
412	I	63.4	Low	70.8	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.7	171.8	-60.4	174.2	0	0	0	106.9	P103 T104 I268 F410 I420 H421 I422	P103-I412 VanDerWaalsContact CD-CG2 3.5Å; P103-I412 WeakPolarHBondContact CD-O 3.12Å; P103-I412 HydrophobicContact CG-CB 3.86Å; P103-I412 HydrophobicContact CG-CG2 3.49Å; P103-I412 VanDerWaalsContact CG-CG2 3.49Å; P103-I412 WeakPolarHBondContact CG-O 3.25Å; T104-I412 HydrophobicContact CG2-CD1 4.46Å; I268-I412 HydrophobicContact CD1-CD1 3.65Å; I268-I412 HydrophobicContact CG1-CD1 3.64Å; I268-I412 HydrophobicContact CG2-CD1 4.31Å; F410-I412 HydrophobicContact CE1-CD1 3.92Å; F410-I412 HydrophobicContact CE1-CG1 3.97Å; F410-I412 HydrophobicContact CZ-CD1 3.95Å; F410-I412 HydrophobicContact CZ-CG1 3.95Å; I412-I420 HydrophobicContact CG2-CG2 3.26Å; I412-H421 CarbonylContact C-O 3.56Å; I412-H421 WeakPolarHBondContact CA-O 3.23Å; I412-I422 HydrophobicContact CG1-CG1 4.41Å
413	V	60.3	Low	69.2	Low	45 Å²	45	53.8 Å²	53.8	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.6	178.9	-173.4	0	0	0	0	108	H421 K423 T425	V413-H421 PolarHBondContact N-O 3.21Å; V413-H421 PolarHBondContact O-N 2.95Å; V413-K423 HydrophobicContact CG2-CB 4.31Å; V413-T425 HydrophobicContact CG2-CG2 4.08Å
414	S	57.1	Low	67.5	Low	57 Å²	57	59.3 Å²	59.3	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.3	169.1	109.2	0	0	0	0	109	S419	S414-S419 WeakPolarHBondContact CA-O 3.5Å
415	D	60.3	Low	66.2	Low	65 Å²	65	59.7 Å²	59.7	35%	0.348	31%	0.312	S	S	.	.			trans	-80.5	167.8	171	-78.5	-0.4	0	0	0	110.3	N417 N418 S419 H421	D415-N417 PolarHBondContact O-N 3.1Å; D415-N418 PolarHBondContact O-N 2.96Å; D415-S419 PolarHBondContact N-O 2.91Å; D415-H421 IonicContact OD1-CD2 3.97Å; D415-H421 IonicContact OD2-CD2 3.47Å; D415-H421 PolarHBondContact OD2-CD2 3.49Å; D415-H421 IonicContact OD2-NE2 3.25Å
416	N	56.7	Low	64.9	Low	170 Å²	170	61.2 Å²	61.2	91%	0.909	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.5	-179.6	-72.3	-17.4	0	0	0	114.2	N418	N416-N418 VanDerWaalsContact C-N 3.33Å
417	N	57.1	Low	64	Low	141 Å²	141	66.8 Å²	66.8	75%	0.754	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	15.6	175.3	-70.8	-10.7	0	0	0	113.4	D415 S419	D415-N417 PolarHBondContact O-N 3.1Å; N417-S419 PolarHBondContact O-N 3.48Å; N417-S419 VanDerWaalsContact O-N 3.07Å
418	N	59.8	Low	63.6	Low	138 Å²	138	67.7 Å²	67.7	74%	0.738	36%	0.361	S	S	*	.	S	Bend	trans	56.2	18.7	-172.4	-73.1	-15.2	0	0	0	114.5	D415 N416	D415-N418 PolarHBondContact O-N 2.96Å; N416-N418 VanDerWaalsContact C-N 3.33Å
419	S	57.2	Low	63.7	Low	42 Å²	42	65.3 Å²	65.3	29%	0.294	35%	0.35	S	S	.	.			trans	-78.6	128.2	173.2	-55.1	0	0	0	0	108.7	S414 D415 N417	S414-S419 WeakPolarHBondContact CA-O 3.5Å; D415-S419 PolarHBondContact N-O 2.91Å; N417-S419 PolarHBondContact O-N 3.48Å; N417-S419 VanDerWaalsContact O-N 3.07Å
420	I	62.5	Low	64.4	Low	30 Å²	30	65.4 Å²	65.4	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123	-174.9	-58.2	177	0	0	0	109	L271 I273 I274 I412	L271-I420 HydrophobicContact CD1-CD1 4.03Å; L271-I420 HydrophobicContact CD1-CG2 4.5Å; L271-I420 HydrophobicContact CD2-CD1 3.9Å; L271-I420 HydrophobicContact CG-CD1 4.39Å; I273-I420 HydrophobicContact CG1-CG2 4.46Å; I274-I420 PolarHBondContact N-O 3.12Å; I412-I420 HydrophobicContact CG2-CG2 3.26Å
421	H	61.1	Low	65.2	Low	18 Å²	18	65.1 Å²	65.1	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.6	-179.8	-63.8	-65.3	0	0	0	110.7	I274 T276 I412 V413 D415	I274-H421 PolarHBondContact O-ND1 2.89Å; T276-H421 HydrophobicContact CG2-CB 4.15Å; T276-H421 VanDerWaalsContact CG2-ND1 3.29Å; T276-H421 WeakPolarHBondContact CG2-ND1 3.4Å; I412-H421 CarbonylContact C-O 3.56Å; I412-H421 WeakPolarHBondContact CA-O 3.23Å; V413-H421 PolarHBondContact N-O 3.21Å; V413-H421 PolarHBondContact O-N 2.95Å; D415-H421 IonicContact OD1-CD2 3.97Å; D415-H421 IonicContact OD2-CD2 3.47Å; D415-H421 PolarHBondContact OD2-CD2 3.49Å; D415-H421 IonicContact OD2-NE2 3.25Å
422	I	62.1	Low	66.4	Low	23 Å²	23	64.4 Å²	64.4	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.5	163	-60.5	158.2	0	0	0	106.7	I273 T276 F410 N411 I412	I273-I422 HydrophobicContact CD1-CD1 4.15Å; I273-I422 HydrophobicContact CG2-CD1 3.81Å; I273-I422 HydrophobicContact CG2-CG1 3.97Å; T276-I422 PolarHBondContact OG1-O 3.09Å; F410-I422 HydrophobicContact CD2-CD1 4.44Å; F410-I422 HydrophobicContact CD2-CG1 4.49Å; F410-I422 HydrophobicContact CD2-CG2 3.75Å; F410-I422 HydrophobicContact CE2-CD1 3.56Å; F410-I422 HydrophobicContact CE2-CG1 3.78Å; F410-I422 HydrophobicContact CE2-CG2 3.9Å; F410-I422 HydrophobicContact CZ-CD1 4.26Å; F410-I422 HydrophobicContact CZ-CG1 4.28Å; N411-I422 CarbonylContact O-C 3.56Å; N411-I422 WeakPolarHBondContact O-CA 3.41Å; I412-I422 HydrophobicContact CG1-CG1 4.41Å
423	K	60.9	Low	67.7	Low	89 Å²	89	69.2 Å²	69.2	39%	0.387	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.9	175.6	-78.7	-179.5	178.8	166.4	0	109.6	N411 V413 T425	N411-K423 CarbonylContact C-O 3.58Å; N411-K423 WeakPolarHBondContact CA-O 3.35Å; N411-K423 WeakPolarHBondContact CB-O 3.45Å; N411-K423 PolarHBondContact N-O 3.06Å; N411-K423 PolarHBondContact O-N 3.29Å; V413-K423 HydrophobicContact CG2-CB 4.31Å; K423-T425 HydrophobicContact CB-CG2 4.47Å; K423-T425 PolarHBondContact O-N 3Å
424	E	57.7	Low	69.3	Low	115 Å²	115	67.4 Å²	67.4	54%	0.537	36%	0.363	S	S	.	.			trans	-65	129.9	164.8	-73.2	176.8	-176.2	0	0	109.1	I279 E408 Q409	I279-E424 WeakPolarHBondContact CD1-OE1 3.45Å; E408-E424 WeakPolarHBondContact O-CA 3.31Å; Q409-E424 PolarHBondContact OE1-OE1 3.25Å
425	T	64.1	Low	71.1	Confident	38 Å²	38	64.7 Å²	64.7	23%	0.233	34%	0.344	C	S	.	.			trans	-142.7	143.9	169.9	98.4	0	0	0	0	110.2	E408 N411 V413 K423 N427	E408-T425 WeakPolarHBondContact CA-O 3.12Å; E408-T425 PolarHBondContact O-N 3.01Å; E408-T425 VanDerWaalsContact O-N 3.13Å; N411-T425 HydrophobicContact CB-CG2 3.8Å; N411-T425 PolarHBondContact ND2-O 3.38Å; N411-T425 VanDerWaalsContact ND2-O 3.16Å; N411-T425 PolarHBondContact ND2-OG1 3.17Å; V413-T425 HydrophobicContact CG2-CG2 4.08Å; K423-T425 HydrophobicContact CB-CG2 4.47Å; K423-T425 PolarHBondContact O-N 3Å; T425-N427 PolarHBondContact O-N 2.91Å; T425-N427 PolarHBondContact OG1-N 2.89Å; T425-N427 PolarHBondContact OG1-O 2.75Å
426	N	63.2	Low	72.8	Confident	147 Å²	147	61.9 Å²	61.9	79%	0.786	33%	0.331	S	S	*	.	S	Bend	trans	-75.3	1.8	174.9	-63.9	-1.6	0	0	0	112.9
427	N	68.1	Low	74.6	Confident	129 Å²	129	56.7 Å²	56.7	69%	0.69	30%	0.301	S	S	*	.			trans	-98.7	107.8	-179.1	-78.3	-16.3	0	0	0	109.8	N411 T425	N411-N427 PolarHBondContact ND2-O 3.01Å; T425-N427 PolarHBondContact O-N 2.91Å; T425-N427 PolarHBondContact OG1-N 2.89Å; T425-N427 PolarHBondContact OG1-O 2.75Å
428	C	73.8	Confident	76.5	Confident	21 Å²	21	50 Å²	50	14%	0.142	27%	0.265	C	S	.	.			trans	-64.3	144.3	169	-80.4	0	0	0	0	112.3	I432 Q433	C428-I432 HydrophobicContact CB-CG2 3.34Å; C428-Q433 HydrophobicContact CB-CG 3.86Å; C428-Q433 PolarHBondContact O-NE2 3.36Å
429	S	82.3	Confident	78.2	Confident	8 Å²	8	43.4 Å²	43.4	6%	0.056	23%	0.23	C	C	.	.			trans	-59.3	152.8	173	68.5	0	0	0	0	111.7	S99 G431 I432 Q433	S99-S429 WeakPolarHBondContact CA-OG 3.28Å; S99-S429 PolarHBondContact O-OG 3.44Å; S429-G431 PolarHBondContact O-N 3.43Å; S429-G431 VanDerWaalsContact O-N 3.09Å; S429-I432 WeakPolarHBondContact O-CG2 3.46Å; S429-I432 PolarHBondContact O-N 2.62Å; S429-I432 PolarHBondContact OG-N 3.3Å; S429-Q433 WeakPolarHBondContact O-CG 3.48Å; S429-Q433 PolarHBondContact O-N 3.19Å; S429-Q433 VanDerWaalsContact O-N 3.13Å
430	P	86.8	Confident	80.1	Confident	66 Å²	66	45.4 Å²	45.4	43%	0.429	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-28.4	176.4	-25.1	34.1	0	0	0	113.1	L15 L434	L15-P430 HydrophobicContact CD1-CB 3.75Å; L15-P430 HydrophobicContact CD2-CB 4.08Å; P430-L434 WeakPolarHBondContact O-CB 3.4Å; P430-L434 PolarHBondContact O-N 3.32Å; P430-L434 VanDerWaalsContact O-N 3.13Å
431	G	88.5	Confident	81.6	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-48.1	177.3	0	0	0	0	0	112.4	S429 L434 L435	S429-G431 PolarHBondContact O-N 3.43Å; S429-G431 VanDerWaalsContact O-N 3.09Å; G431-L434 PolarHBondContact O-N 2.88Å; G431-L435 WeakPolarHBondContact O-CB 3.4Å; G431-L435 PolarHBondContact O-N 2.75Å
432	I	91.3	Very high	83.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-72.6	-33.4	-178.8	-156.9	169	0	0	0	111.9	F400 M403 V404 A407 C428 S429 L435 G436	F400-I432 HydrophobicContact CE2-CG1 4.07Å; F400-I432 HydrophobicContact CZ-CG1 4.43Å; M403-I432 HydrophobicContact CB-CD1 4.29Å; M403-I432 WeakPolarHBondContact O-CD1 3.41Å; V404-I432 HydrophobicContact CB-CD1 4.47Å; V404-I432 HydrophobicContact CG2-CD1 3.99Å; V404-I432 HydrophobicContact CG2-CG1 4.14Å; A407-I432 HydrophobicContact CB-CD1 3.65Å; C428-I432 HydrophobicContact CB-CG2 3.34Å; S429-I432 WeakPolarHBondContact O-CG2 3.46Å; S429-I432 PolarHBondContact O-N 2.62Å; S429-I432 PolarHBondContact OG-N 3.3Å; I432-L435 PolarHBondContact O-N 3Å; I432-G436 PolarHBondContact O-N 3.31Å
433	Q	91.3	Very high	84.8	Confident	108 Å²	108	45.4 Å²	45.4	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-47.7	172.3	-68.7	178.7	14.6	0	0	111.3	C428 S429 L435 G436 E437	C428-Q433 HydrophobicContact CB-CG 3.86Å; C428-Q433 PolarHBondContact O-NE2 3.36Å; S429-Q433 WeakPolarHBondContact O-CG 3.48Å; S429-Q433 PolarHBondContact O-N 3.19Å; S429-Q433 VanDerWaalsContact O-N 3.13Å; Q433-L435 VanDerWaalsContact C-N 3.35Å; Q433-G436 PolarHBondContact O-N 3.36Å; Q433-E437 PolarHBondContact O-N 2.69Å; Q433-E437 VanDerWaalsContact O-N 3.15Å
434	L	93.2	Very high	86.3	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-34.7	179.8	-171.8	62.6	0	0	0	112.4	L8 R11 A12 L15 L95 P430 G431 G436 E437 M438	L8-L434 HydrophobicContact CD2-CD1 4.06Å; R11-L434 HydrophobicContact CB-CD1 4.17Å; R11-L434 HydrophobicContact CB-CD2 4.2Å; A12-L434 HydrophobicContact CB-CD2 3.51Å; L15-L434 HydrophobicContact CD2-CD2 4.45Å; L95-L434 HydrophobicContact CD2-CD2 4.32Å; P430-L434 WeakPolarHBondContact O-CB 3.4Å; P430-L434 PolarHBondContact O-N 3.32Å; P430-L434 VanDerWaalsContact O-N 3.13Å; G431-L434 PolarHBondContact O-N 2.88Å; L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 2.8Å; L434-E437 PolarHBondContact O-N 3.3Å; L434-M438 WeakPolarHBondContact O-CG 3.44Å; L434-M438 PolarHBondContact O-N 3.42Å; L434-M438 VanDerWaalsContact O-N 3.11Å
435	L	95.4	Very high	87.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-40.5	171.4	-173.3	62.4	0	0	0	110.8	I92 L95 V96 F293 F400 M403 G431 I432 Q433 M438 V439	I92-L435 HydrophobicContact CD1-CD1 4.45Å; I92-L435 HydrophobicContact CG2-CD1 4.46Å; L95-L435 HydrophobicContact CB-CB 4.49Å; L95-L435 HydrophobicContact CB-CD1 4.23Å; L95-L435 HydrophobicContact CD1-CD1 4.39Å; V96-L435 HydrophobicContact CG2-CD2 3.95Å; F293-L435 HydrophobicContact CE1-CD1 4.04Å; F293-L435 HydrophobicContact CE1-CD2 4.03Å; F293-L435 HydrophobicContact CE1-CG 4.39Å; F293-L435 HydrophobicContact CZ-CD1 3.81Å; F293-L435 HydrophobicContact CZ-CD2 3.96Å; F293-L435 HydrophobicContact CZ-CG 3.96Å; F400-L435 HydrophobicContact CD2-CD2 4.36Å; F400-L435 HydrophobicContact CD2-CG 4.31Å; F400-L435 HydrophobicContact CE2-CB 4.15Å; F400-L435 HydrophobicContact CE2-CD2 4.28Å; F400-L435 HydrophobicContact CE2-CG 4.09Å; M403-L435 HydrophobicContact CE-CD2 3.98Å; G431-L435 WeakPolarHBondContact O-CB 3.4Å; G431-L435 PolarHBondContact O-N 2.75Å; I432-L435 PolarHBondContact O-N 3Å; Q433-L435 VanDerWaalsContact C-N 3.35Å; L435-M438 WeakPolarHBondContact O-CB 3.5Å; L435-M438 PolarHBondContact O-N 3.11Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.38Å
436	G	95.3	Very high	89	Confident	7 Å²	7	37.6 Å²	37.6	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-45.9	174.8	0	0	0	0	0	113.4	I432 Q433 L434 M438 V439 D440	I432-G436 PolarHBondContact O-N 3.31Å; Q433-G436 PolarHBondContact O-N 3.36Å; L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 2.8Å; G436-M438 PolarHBondContact O-N 3.4Å; G436-V439 WeakPolarHBondContact O-CB 2.88Å; G436-V439 PolarHBondContact O-N 3.34Å; G436-V439 VanDerWaalsContact O-N 3.13Å; G436-D440 VanDerWaalsContact O-CG 3.26Å; G436-D440 PolarHBondContact O-N 2.77Å
437	E	95.4	Very high	89.9	Confident	60 Å²	60	34.6 Å²	34.6	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-61.1	-35.2	175.5	-65.9	-175.6	-133.9	0	0	112.5	L8 R11 Q433 L434 K441	L8-E437 HydrophobicContact CD2-CB 3.76Å; L8-E437 WeakPolarHBondContact CD2-OE2 3.19Å; R11-E437 IonicContact CZ-OE1 3.4Å; R11-E437 IonicContact CZ-OE2 3.97Å; R11-E437 IonicContact NH1-OE1 2.78Å; R11-E437 PolarHBondContact NH1-OE1 3.43Å; R11-E437 IonicContact NH1-OE2 2.89Å; R11-E437 PolarHBondContact NH1-OE2 3.05Å; R11-E437 IonicContact NH2-OE1 3.5Å; R11-E437 PolarHBondContact NH2-OE1 3.22Å; R11-E437 IonicContact NH2-OE2 2.7Å; Q433-E437 PolarHBondContact O-N 2.69Å; Q433-E437 VanDerWaalsContact O-N 3.15Å; L434-E437 PolarHBondContact O-N 3.3Å; E437-K441 WeakPolarHBondContact O-CB 3.49Å; E437-K441 PolarHBondContact O-N 3.47Å
438	M	96	Very high	89.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.5	-38.3	175.2	-70.6	-171.7	172.8	0	0	112	W5 L8 A12 P87 L91 I92 L95 W297 L434 L435 G436 K441 L442	W5-M438 WeakPolarHBondContact CH2-O 3.33Å; W5-M438 HydrophobicContact CZ3-CB 4.02Å; W5-M438 HydrophobicContact CZ3-CG 4.07Å; L8-M438 HydrophobicContact CB-CE 3.99Å; L8-M438 HydrophobicContact CB-CG 4.24Å; L8-M438 HydrophobicContact CD1-CG 4.29Å; L8-M438 WeakPolarHBondContact O-CE 3.48Å; A12-M438 HydrophobicContact CB-CE 3.65Å; P87-M438 HydrophobicContact CB-SD 4.45Å; P87-M438 HydrophobicContact CG-SD 4.31Å; L91-M438 HydrophobicContact CD2-CE 4.03Å; I92-M438 HydrophobicContact CD1-SD 4.07Å; L95-M438 HydrophobicContact CD1-CE 4.03Å; L95-M438 HydrophobicContact CD1-SD 3.56Å; L95-M438 VanDerWaalsContact CD1-SD 3.56Å; W297-M438 HydrophobicContact CH2-CB 3.86Å; W297-M438 HydrophobicContact CZ3-CB 4.36Å; L434-M438 WeakPolarHBondContact O-CG 3.44Å; L434-M438 PolarHBondContact O-N 3.42Å; L434-M438 VanDerWaalsContact O-N 3.11Å; L435-M438 WeakPolarHBondContact O-CB 3.5Å; L435-M438 PolarHBondContact O-N 3.11Å; G436-M438 PolarHBondContact O-N 3.4Å; M438-K441 PolarHBondContact O-N 3.36Å; M438-L442 PolarHBondContact O-N 3.28Å
439	V	96.8	Very high	88.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-46.7	172.7	175.2	0	0	0	0	110.4	F293 W297 L396 F400 L435 G436 K441 L442 I443	F293-V439 HydrophobicContact CE2-CG2 3.67Å; F293-V439 HydrophobicContact CZ-CG2 3.85Å; W297-V439 HydrophobicContact CE3-CG2 4.34Å; W297-V439 HydrophobicContact CZ3-CG2 3.87Å; L396-V439 HydrophobicContact CD2-CG1 4.05Å; L396-V439 HydrophobicContact CG-CG1 4.09Å; F400-V439 HydrophobicContact CB-CG2 4.34Å; F400-V439 HydrophobicContact CD2-CG2 4.05Å; F400-V439 HydrophobicContact CG-CG2 4.14Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.38Å; G436-V439 WeakPolarHBondContact O-CB 2.88Å; G436-V439 PolarHBondContact O-N 3.34Å; G436-V439 VanDerWaalsContact O-N 3.13Å; V439-K441 VanDerWaalsContact C-N 3.29Å; V439-K441 PolarHBondContact O-N 3.19Å; V439-L442 PolarHBondContact O-N 2.97Å; V439-I443 HydrophobicContact CG1-CD1 4.07Å; V439-I443 HydrophobicContact CG1-CG1 4.41Å; V439-I443 WeakPolarHBondContact O-CG1 3.39Å; V439-I443 PolarHBondContact O-N 2.99Å
440	D	95.7	Very high	87.1	Confident	85 Å²	85	42.1 Å²	42.1	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-44.5	176.8	-65.3	-13.5	0	0	0	111.6	R397 G436 I443 S444	R397-D440 IonicContact CZ-OD1 3.36Å; R397-D440 IonicContact NH1-OD1 3.44Å; R397-D440 PolarHBondContact NH1-OD1 3.23Å; R397-D440 IonicContact NH2-OD1 2.73Å; R397-D440 PolarHBondContact NH2-OD1 3.34Å; G436-D440 VanDerWaalsContact O-CG 3.26Å; G436-D440 PolarHBondContact O-N 2.77Å; D440-I443 PolarHBondContact O-N 3.32Å; D440-S444 WeakPolarHBondContact O-CB 3.43Å; D440-S444 PolarHBondContact O-N 3.48Å
441	K	94.7	Very high	87.1	Confident	47 Å²	47	40.9 Å²	40.9	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-43.1	179.1	-177.5	54.7	179.3	144.4	0	112.1	T3 W5 L8 E437 M438 V439 S444 D445	T3-K441 WeakPolarHBondContact O-CD 3.43Å; T3-K441 VanDerWaalsContact O-CE 3.25Å; T3-K441 WeakPolarHBondContact O-CE 3.43Å; W5-K441 HydrophobicContact CD2-CG 3.8Å; W5-K441 HydrophobicContact CE3-CG 4.19Å; W5-K441 HydrophobicContact CG-CG 4.35Å; W5-K441 HydrophobicContact CH2-CB 4.11Å; W5-K441 HydrophobicContact CH2-CG 4.1Å; W5-K441 HydrophobicContact CZ2-CB 4.11Å; W5-K441 HydrophobicContact CZ2-CG 3.68Å; W5-K441 HydrophobicContact CZ3-CB 4.39Å; W5-K441 HydrophobicContact CZ3-CG 4.33Å; L8-K441 HydrophobicContact CD1-CB 3.83Å; L8-K441 HydrophobicContact CD1-CG 4.07Å; E437-K441 WeakPolarHBondContact O-CB 3.49Å; E437-K441 PolarHBondContact O-N 3.47Å; M438-K441 PolarHBondContact O-N 3.36Å; V439-K441 VanDerWaalsContact C-N 3.29Å; V439-K441 PolarHBondContact O-N 3.19Å; K441-S444 WeakPolarHBondContact O-CB 2.85Å; K441-S444 PolarHBondContact O-N 3.4Å; K441-D445 WeakPolarHBondContact CE-OD1 3.46Å; K441-D445 IonicContact NZ-OD1 3.54Å; K441-D445 PolarHBondContact NZ-OD1 3.1Å; K441-D445 PolarHBondContact O-N 3.02Å
442	L	94.6	Very high	87	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177.4	-178.7	55.6	0	0	0	112.1	W5 W297 L300 I301 L396 M438 V439 S444 D445 C446	W5-L442 HydrophobicContact CH2-CB 4.03Å; W5-L442 HydrophobicContact CZ2-CB 4.05Å; W5-L442 HydrophobicContact CZ2-CD1 4.47Å; W297-L442 HydrophobicContact CD2-CD2 3.85Å; W297-L442 HydrophobicContact CE3-CD2 3.91Å; W297-L442 HydrophobicContact CG-CD2 4.42Å; W297-L442 HydrophobicContact CH2-CB 4.26Å; W297-L442 HydrophobicContact CH2-CD2 4.02Å; W297-L442 HydrophobicContact CZ2-CD2 4.01Å; W297-L442 HydrophobicContact CZ3-CB 4.49Å; W297-L442 HydrophobicContact CZ3-CD2 4Å; L300-L442 HydrophobicContact CB-CD2 4.3Å; L300-L442 HydrophobicContact CD2-CD2 3.89Å; L300-L442 HydrophobicContact CD2-CG 3.76Å; L300-L442 HydrophobicContact CG-CD1 4.38Å; L300-L442 HydrophobicContact CG-CD2 4.15Å; L300-L442 HydrophobicContact CG-CG 4.04Å; I301-L442 HydrophobicContact CD1-CD1 3.45Å; I301-L442 VanDerWaalsContact CD1-CD1 3.45Å; I301-L442 HydrophobicContact CD1-CD2 3.88Å; I301-L442 HydrophobicContact CD1-CG 4.29Å; I301-L442 HydrophobicContact CG1-CD1 4.14Å; I301-L442 HydrophobicContact CG1-CD2 3.95Å; L396-L442 HydrophobicContact CD2-CD2 3.91Å; M438-L442 PolarHBondContact O-N 3.28Å; V439-L442 PolarHBondContact O-N 2.97Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.1Å; L442-D445 PolarHBondContact O-N 2.6Å; L442-C446 PolarHBondContact O-N 2.84Å
443	I	95	Very high	86.8	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-39.3	175.9	-67.7	-171.8	0	0	0	110.9	A393 R397 V439 D440 C446 N447	A393-I443 HydrophobicContact CB-CB 4.42Å; A393-I443 HydrophobicContact CB-CD1 4.07Å; A393-I443 HydrophobicContact CB-CG1 3.84Å; A393-I443 HydrophobicContact CB-CG2 4.09Å; A393-I443 VanDerWaalsContact O-CD1 3.24Å; A393-I443 WeakPolarHBondContact O-CD1 3.32Å; R397-I443 HydrophobicContact CB-CD1 4.14Å; V439-I443 HydrophobicContact CG1-CD1 4.07Å; V439-I443 HydrophobicContact CG1-CG1 4.41Å; V439-I443 WeakPolarHBondContact O-CG1 3.39Å; V439-I443 PolarHBondContact O-N 2.99Å; D440-I443 PolarHBondContact O-N 3.32Å; I443-C446 PolarHBondContact O-N 2.65Å; I443-N447 WeakPolarHBondContact CG2-ND2 3.34Å; I443-N447 WeakPolarHBondContact O-CB 3.27Å; I443-N447 PolarHBondContact O-N 3.08Å; I443-N447 PolarHBondContact O-ND2 3.09Å
444	S	93.1	Very high	86.5	Confident	57 Å²	57	41.6 Å²	41.6	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-44.6	174.5	-178.7	0	0	0	0	112	D440 K441 L442 C446 N447 C448	D440-S444 WeakPolarHBondContact O-CB 3.43Å; D440-S444 PolarHBondContact O-N 3.48Å; K441-S444 WeakPolarHBondContact O-CB 2.85Å; K441-S444 PolarHBondContact O-N 3.4Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.1Å; S444-C446 VanDerWaalsContact C-N 3.27Å; S444-C446 PolarHBondContact O-N 2.96Å; S444-N447 PolarHBondContact O-N 2.84Å; S444-C448 PolarHBondContact O-N 3.1Å; S444-C448 PolarHBondContact O-SG 3.39Å; S444-C448 VanDerWaalsContact O-SG 3.34Å
445	D	90.1	Very high	86.1	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.112	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-39.7	176.7	-74	0.3	0	0	0	110.9	W5 R86 T304 R307 K441 L442	W5-D445 PolarHBondContact NE1-OD2 2.76Å; R86-D445 IonicContact CZ-OD2 2.98Å; R86-D445 IonicContact NE-OD2 3.17Å; R86-D445 IonicContact NH2-OD2 3.21Å; R86-D445 PolarHBondContact NH2-OD2 2.67Å; R86-D445 VanDerWaalsContact NH2-OD2 3.08Å; T304-D445 HydrophobicContact CG2-CB 4.24Å; R307-D445 PolarHBondContact NH2-O 2.87Å; K441-D445 WeakPolarHBondContact CE-OD1 3.46Å; K441-D445 IonicContact NZ-OD1 3.54Å; K441-D445 PolarHBondContact NZ-OD1 3.1Å; K441-D445 PolarHBondContact O-N 3.02Å; L442-D445 PolarHBondContact O-N 2.6Å
446	C	88.3	Confident	85.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-30.6	175.6	-175.3	0	0	0	0	113.1	L300 R307 G389 L442 I443 S444	L300-C446 HydrophobicContact CD1-CB 3.94Å; L300-C446 VanDerWaalsContact CD1-SG 3.57Å; R307-C446 PolarHBondContact NH1-O 3.14Å; G389-C446 VanDerWaalsContact C-SG 3.52Å; G389-C446 WeakPolarHBondContact CA-SG 3.1Å; L442-C446 PolarHBondContact O-N 2.84Å; I443-C446 PolarHBondContact O-N 2.65Å; S444-C446 VanDerWaalsContact C-N 3.27Å; S444-C446 PolarHBondContact O-N 2.96Å
447	N	83.2	Confident	84.7	Confident	83 Å²	83	49.5 Å²	49.5	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-91.3	-15.1	-174.7	-76.6	-27.1	0	0	0	114.7	I443 S444 P449	I443-N447 WeakPolarHBondContact CG2-ND2 3.34Å; I443-N447 WeakPolarHBondContact O-CB 3.27Å; I443-N447 PolarHBondContact O-N 3.08Å; I443-N447 PolarHBondContact O-ND2 3.09Å; S444-N447 PolarHBondContact O-N 2.84Å; N447-P449 WeakPolarHBondContact O-CD 3.5Å
448	C	64.5	Low	83.9	Confident	71 Å²	71	48.7 Å²	48.7	48%	0.48	30%	0.298	S	S	.	.			trans	-68.7	115.7	177.8	-75.4	0	0	0	0	111.1	S444 S450	S444-C448 PolarHBondContact O-N 3.1Å; S444-C448 PolarHBondContact O-SG 3.39Å; S444-C448 VanDerWaalsContact O-SG 3.34Å; C448-S450 PolarHBondContact O-N 3.35Å
449	P	55.7	Low	82.9	Confident	106 Å²	106	52.8 Å²	52.8	69%	0.688	32%	0.323	S	S	*	.			trans	-77.7	114.5	159.5	25.5	-12.2	0	0	0	106.4	N447	N447-P449 WeakPolarHBondContact O-CD 3.5Å
450	S	43.4	Very low	81.7	Confident	139 Å²	139	57.5 Å²	57.5	97%	0.972	35%	0.353	S	S	*	.			trans	-70.2	0	174.9	57.8	0	0	0	0	111.2	Q311 C448	Q311-S450 VanDerWaalsContact CD-OG 3.23Å; Q311-S450 PolarHBondContact NE2-OG 2.85Å; C448-S450 PolarHBondContact O-N 3.35Å

Retrieved 450 of 450 residues in 148.4 ms (Link to these results)

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