G4VP86_SCHMA Loading...

S-methyl-5'-thioadenosine phosphorylase

Catalyzes the phosphorolytic cleavage of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferred substrates.

AlphaFold DB , UniProt , Accession G4VP86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.1	Low	85.7	Confident	207 Å²	207	43.2 Å²	43.2	100%	1.02	22%	0.22	S	C	*	.				0	133	0	-68.8	175.1	-145.8	0	0	106.9
2	S	65.3	Low	83	Confident	35 Å²	35	43.6 Å²	43.6	25%	0.245	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.8	136.3	170.2	41.6	0	0	0	0	109.3	V4 T274	S2-V4 PolarHBondContact O-N 2.92Å; S2-T274 WeakPolarHBondContact CB-OG1 3.4Å; S2-T274 PolarHBondContact N-OG1 2.91Å; S2-T274 WeakPolarHBondContact OG-CA 3.32Å; S2-T274 PolarHBondContact OG-N 2.86Å; S2-T274 VanDerWaalsContact OG-N 3.1Å; S2-T274 PolarHBondContact OG-OG1 2.67Å
3	E	88.3	Confident	81.1	Confident	167 Å²	167	42.8 Å²	42.8	78%	0.78	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-70.4	122.1	175.3	-168.4	175.8	-176.3	0	0	108.4
4	V	97.5	Very high	79.9	Confident	15 Å²	15	40.3 Å²	40.3	9%	0.091	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-99.5	141.6	177.9	-64.7	0	0	0	0	110.9	S2 V47 I268 W273	S2-V4 PolarHBondContact O-N 2.92Å; V4-V47 HydrophobicContact CG2-CG1 4.24Å; V4-I268 HydrophobicContact CB-CG2 4.34Å; V4-I268 HydrophobicContact CG2-CG2 4.32Å; V4-W273 HydrophobicContact CG1-CB 4.13Å; V4-W273 HydrophobicContact CG1-CG 4.06Å
5	K	98.3	Very high	78.6	Confident	38 Å²	38	44.4 Å²	44.4	17%	0.165	25%	0.246	C	C	.	.			trans	-141	129.4	173.9	-178.3	169.5	-172	-178.1	0	108.9	E41 P48 V50 L78 C80 T81 H82	K5-E41 IonicContact NZ-OE1 2.74Å; K5-E41 PolarHBondContact NZ-OE1 2.82Å; K5-P48 WeakPolarHBondContact CA-O 3.42Å; K5-P48 HydrophobicContact CB-CB 4.13Å; K5-P48 HydrophobicContact CD-CB 4.15Å; K5-P48 HydrophobicContact CG-CB 3.83Å; K5-V50 HydrophobicContact CD-CG2 4.38Å; K5-V50 HydrophobicContact CG-CG2 4.4Å; K5-L78 WeakPolarHBondContact CD-O 3.46Å; K5-L78 WeakPolarHBondContact CE-O 3.47Å; K5-L78 PolarHBondContact NZ-O 3Å; K5-C80 CarbonylContact O-C 3.56Å; K5-C80 VanDerWaalsContact O-CA 3.3Å; K5-C80 WeakPolarHBondContact O-CA 3.41Å; K5-T81 PolarHBondContact N-OG1 2.73Å; K5-T81 PolarHBondContact O-N 3.26Å; K5-T81 PolarHBondContact O-OG1 2.93Å; K5-H82 PolarHBondContact O-N 2.82Å
6	V	98.4	Very high	77.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.5	-170.3	-173.8	0	0	0	0	110.3	I8 V47 P48 C49 V50 H82 L84 V265 I268	V6-I8 HydrophobicContact CG1-CG1 4.46Å; V6-V47 HydrophobicContact CG2-CG1 4.29Å; V6-P48 PolarHBondContact N-O 2.69Å; V6-C49 CarbonylContact O-C 3.56Å; V6-C49 VanDerWaalsContact O-CA 3.24Å; V6-C49 WeakPolarHBondContact O-CA 3.41Å; V6-V50 PolarHBondContact O-N 2.82Å; V6-H82 HydrophobicContact CG1-CB 4.25Å; V6-H82 HydrophobicContact CG2-CB 4.29Å; V6-L84 HydrophobicContact CG1-CD1 4.01Å; V6-L84 HydrophobicContact CG1-CG 3.93Å; V6-V265 HydrophobicContact CB-CG2 4.21Å; V6-V265 HydrophobicContact CG1-CG2 3.97Å; V6-V265 HydrophobicContact CG2-CG1 4.38Å; V6-V265 HydrophobicContact CG2-CG2 4.46Å; V6-I268 HydrophobicContact CG1-CD1 4.39Å; V6-I268 HydrophobicContact CG2-CB 4.35Å; V6-I268 HydrophobicContact CG2-CD1 4.05Å; V6-I268 HydrophobicContact CG2-CG2 3.91Å
7	G	97.9	Very high	76.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.2	164.9	0	0	0	0	0	110.6	V50 H82 I83 L84	G7-V50 CarbonylContact C-O 3.57Å; G7-V50 VanDerWaalsContact CA-O 3.3Å; G7-V50 WeakPolarHBondContact CA-O 3.39Å; G7-H82 PolarHBondContact N-O 3.02Å; G7-I83 CarbonylContact O-C 3.56Å; G7-I83 VanDerWaalsContact O-CA 3.3Å; G7-I83 WeakPolarHBondContact O-CA 3.49Å; G7-L84 PolarHBondContact O-N 2.74Å
8	I	96.7	Very high	76.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.1	172.8	-58.8	177.4	0	0	0	107.8	V6 V50 V51 L52 L84 L261 V265	V6-I8 HydrophobicContact CG1-CG1 4.46Å; I8-V50 PolarHBondContact N-O 3.26Å; I8-V51 HydrophobicContact CB-CG2 4.19Å; I8-V51 HydrophobicContact CD1-CG2 4.44Å; I8-V51 WeakPolarHBondContact O-CA 3.32Å; I8-L52 PolarHBondContact O-N 2.88Å; I8-L84 VanDerWaalsContact CA-O 3.29Å; I8-L84 WeakPolarHBondContact CA-O 3.25Å; I8-L261 HydrophobicContact CG2-CD1 3.99Å; I8-V265 HydrophobicContact CD1-CG2 4.18Å
9	I	95.9	Very high	76.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	98.7	174.7	-53	177.5	0	0	0	108.9	L52 R54 I72 L75 I83 L84 A85 T86 E211	I9-L52 WeakPolarHBondContact CA-O 3.38Å; I9-R54 HydrophobicContact CG2-CB 3.86Å; I9-R54 HydrophobicContact CG2-CG 4.14Å; I9-R54 PolarHBondContact O-NH2 3.31Å; I9-I72 HydrophobicContact CD1-CD1 3.88Å; I9-L75 HydrophobicContact CD1-CD1 3.74Å; I9-L75 HydrophobicContact CG1-CD1 3.72Å; I9-I83 HydrophobicContact CD1-CD1 4.5Å; I9-I83 HydrophobicContact CD1-CG2 3.77Å; I9-I83 HydrophobicContact CG1-CG2 3.92Å; I9-L84 PolarHBondContact N-O 3.43Å; I9-A85 WeakPolarHBondContact O-CA 3.44Å; I9-T86 PolarHBondContact O-N 3.27Å; I9-E211 HydrophobicContact CD1-CG 4.12Å; I9-E211 WeakPolarHBondContact CG2-OE2 3.33Å
10	G	83.6	Confident	77.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.4	-176	0	0	0	0	0	113.4	L52 P53 R54	G10-L52 PolarHBondContact N-O 3.33Å; G10-P53 WeakPolarHBondContact O-CA 3.24Å; G10-R54 PolarHBondContact O-N 3.14Å
11	G	64.7	Low	77.8	Confident	11 Å²	11	54.4 Å²	54.4	11%	0.113	30%	0.295	C	S	.	.			trans	-86.5	-168.8	162.1	0	0	0	0	0	112	G13 F14	G11-G13 PolarHBondContact O-N 2.79Å; G11-F14 PolarHBondContact O-N 2.78Å
12	S	53.3	Low	79.5	Confident	48 Å²	48	50.7 Å²	50.7	34%	0.336	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	128.1	175.7	-49.6	0	0	0	0	110.9	H59 F250	S12-H59 PolarHBondContact OG-ND1 2.86Å; S12-F250 WeakPolarHBondContact O-CE1 3.19Å; S12-F250 WeakPolarHBondContact O-CZ 3.47Å
13	G	58.1	Low	80.8	Confident	34 Å²	34	51.6 Å²	51.6	35%	0.351	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.1	-5.8	-178.4	0	0	0	0	0	115.3	G11 D15	G11-G13 PolarHBondContact O-N 2.79Å; G13-D15 PolarHBondContact N-OD2 3.44Å
14	F	63.9	Low	81	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.031	28%	0.28	C	S	.	.			trans	-96.3	5.6	161.6	-69.4	-84.2	0	0	0	113	G11 D16 L19 T86 V254 V257 R258 L261	G11-F14 PolarHBondContact O-N 2.78Å; F14-D16 PolarHBondContact O-N 2.84Å; F14-L19 HydrophobicContact CD1-CD2 4.1Å; F14-T86 HydrophobicContact CE2-CG2 3.72Å; F14-T86 HydrophobicContact CZ-CG2 3.67Å; F14-V254 HydrophobicContact CE2-CG2 4.31Å; F14-V257 HydrophobicContact CZ-CG1 4.03Å; F14-R258 HydrophobicContact CE1-CB 4.22Å; F14-L261 HydrophobicContact CD1-CD1 4.32Å; F14-L261 HydrophobicContact CE1-CD1 3.39Å; F14-L261 HydrophobicContact CZ-CD1 3.6Å
15	D	61.7	Low	80.8	Confident	102 Å²	102	54 Å²	54	55%	0.545	30%	0.303	S	S	.	.			trans	-80.5	6.5	175.2	-47.2	-60.1	0	0	0	112.6	G13 P17	G13-D15 PolarHBondContact N-OD2 3.44Å; D15-P17 WeakPolarHBondContact O-CD 3.46Å
16	D	64.6	Low	80.5	Confident	49 Å²	49	57.8 Å²	57.8	26%	0.262	32%	0.316	S	S	.	.			trans	-63.6	116.2	179.6	-174.4	-9.6	0	0	0	110.1	F14 D18 L19 R258	F14-D16 PolarHBondContact O-N 2.84Å; D16-D18 PolarHBondContact O-N 2.72Å; D16-D18 VanDerWaalsContact O-N 3.09Å; D16-D18 PolarHBondContact OD1-N 2.66Å; D16-L19 VanDerWaalsContact O-CB 3.3Å; D16-L19 WeakPolarHBondContact O-CB 3.38Å; D16-L19 PolarHBondContact O-N 2.78Å; D16-L19 VanDerWaalsContact O-N 3.08Å; D16-R258 IonicContact OD2-NH1 3.64Å; D16-R258 PolarHBondContact OD2-NH1 2.91Å
17	P	56.5	Low	80.3	Confident	103 Å²	103	63.6 Å²	63.6	67%	0.669	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59.4	-22.6	-179.3	24.1	-33.6	0	0	0	113	D15 L19	D15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-L19 VanDerWaalsContact C-N 3.33Å
18	D	69.7	Low	80.1	Confident	142 Å²	142	65.4 Å²	65.4	76%	0.759	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-86.6	-3	-178.1	-66.4	-31.5	0	0	0	113.4	D16 L20	D16-D18 PolarHBondContact O-N 2.72Å; D16-D18 VanDerWaalsContact O-N 3.09Å; D16-D18 PolarHBondContact OD1-N 2.66Å; D18-L20 PolarHBondContact O-N 2.92Å
19	L	82.7	Confident	80.1	Confident	15 Å²	15	69.9 Å²	69.9	8%	0.079	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-62.2	-34.5	178.5	-172.2	69.7	0	0	0	112	F14 D16 P17 V51 R258 L262	F14-L19 HydrophobicContact CD1-CD2 4.1Å; D16-L19 VanDerWaalsContact O-CB 3.3Å; D16-L19 WeakPolarHBondContact O-CB 3.38Å; D16-L19 PolarHBondContact O-N 2.78Å; D16-L19 VanDerWaalsContact O-N 3.08Å; P17-L19 VanDerWaalsContact C-N 3.33Å; L19-V51 HydrophobicContact CD2-CG2 3.83Å; L19-R258 HydrophobicContact CD1-CG 3.67Å; L19-L262 HydrophobicContact CD1-CD1 4.23Å; L19-L262 HydrophobicContact CD1-CD2 3.71Å; L19-L262 HydrophobicContact CD1-CG 4.14Å; L19-L262 HydrophobicContact CG-CD2 4.43Å
20	L	88.3	Confident	80.2	Confident	13 Å²	13	70.3 Å²	70.3	7%	0.068	39%	0.393	C	S	.	.	S	Bend	trans	-119.8	128.3	-173.7	-62.7	-179.3	0	0	0	111.6	D18 A23 T40 V44 C49 V51	D18-L20 PolarHBondContact O-N 2.92Å; L20-A23 HydrophobicContact CB-CB 4.23Å; L20-T40 HydrophobicContact CD1-CG2 3.85Å; L20-T40 VanDerWaalsContact CD1-O 3.24Å; L20-T40 WeakPolarHBondContact CD1-O 3.41Å; L20-V44 HydrophobicContact CD2-CG2 3.64Å; L20-C49 HydrophobicContact CD2-CB 3.7Å; L20-V51 HydrophobicContact CD1-CB 4.31Å; L20-V51 HydrophobicContact CD1-CG2 3.76Å; L20-V51 HydrophobicContact CD2-CG2 4.1Å; L20-V51 HydrophobicContact CG-CG2 4.08Å
21	K	92.1	Very high	80.8	Confident	155 Å²	155	74.1 Å²	74.1	67%	0.674	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.9	166.8	-66.3	-169.7	175.9	-172.4	0	110.3	A23 G42 F43	K21-A23 VanDerWaalsContact C-N 3.31Å; K21-A23 PolarHBondContact O-N 3.43Å; K21-G42 CarbonylContact O-C 3.58Å; K21-G42 WeakPolarHBondContact O-CA 3.48Å; K21-F43 HydrophobicContact CB-CB 4.45Å; K21-F43 PolarHBondContact N-O 2.94Å; K21-F43 PolarHBondContact O-N 3.24Å
22	N	91.7	Very high	82.4	Confident	129 Å²	129	74.3 Å²	74.3	69%	0.69	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.1	42	-179.9	-57.8	-27.8	0	0	0	113.4	K24 F43	N22-K24 PolarHBondContact O-N 3.22Å; N22-F43 HydrophobicContact CB-CD2 4.39Å
23	A	92.2	Very high	84.5	Confident	53 Å²	53	73.5 Å²	73.5	44%	0.438	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.4	-177.6	0	0	0	0	0	112.4	L20 K21 T40 E41	L20-A23 HydrophobicContact CB-CB 4.23Å; K21-A23 VanDerWaalsContact C-N 3.31Å; K21-A23 PolarHBondContact O-N 3.43Å; A23-T40 HydrophobicContact CB-CG2 3.87Å; A23-E41 CarbonylContact C-O 3.45Å; A23-E41 VanDerWaalsContact CA-O 3.25Å; A23-E41 WeakPolarHBondContact CA-O 3.06Å
24	K	93.1	Very high	86.4	Confident	140 Å²	140	76.7 Å²	76.7	61%	0.609	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.7	173.7	-68.3	-176.7	-177.7	179.6	0	109.8	N22 E41	N22-K24 PolarHBondContact O-N 3.22Å; K24-E41 PolarHBondContact N-O 2.96Å; K24-E41 PolarHBondContact O-N 3.38Å
25	V	92.8	Very high	87.9	Confident	94 Å²	94	77 Å²	77	57%	0.57	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.6	177.2	-180	0	0	0	0	110.2	V38 L39	V25-V38 HydrophobicContact CG1-CB 3.63Å; V25-V38 HydrophobicContact CG1-CG1 4.02Å; V25-V38 HydrophobicContact CG1-CG2 3.74Å; V25-L39 CarbonylContact C-O 3.52Å
26	R	92.5	Very high	89.5	Confident	117 Å²	117	73 Å²	73	44%	0.442	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.3	174.8	-62.3	-61.3	-170.4	158.4	13.4	109.9	V28 L39 E41	R26-V28 HydrophobicContact CB-CG1 4.34Å; R26-L39 HydrophobicContact CB-CB 4.37Å; R26-L39 PolarHBondContact N-O 3.14Å; R26-L39 PolarHBondContact O-N 2.9Å; R26-E41 HydrophobicContact CG-CG 3.83Å; R26-E41 WeakPolarHBondContact CG-OE2 3.41Å; R26-E41 IonicContact CZ-OE2 3.22Å; R26-E41 VanDerWaalsContact CZ-OE2 3.22Å; R26-E41 IonicContact NE-OE2 2.67Å; R26-E41 PolarHBondContact NE-OE2 3.44Å; R26-E41 IonicContact NH2-OE2 2.91Å; R26-E41 PolarHBondContact NH2-OE2 3.3Å
27	T	93.3	Very high	90.8	Very high	122 Å²	122	71.8 Å²	71.8	75%	0.748	41%	0.405	S	S	*	.			trans	-100.3	122.1	166.2	-54.4	0	0	0	0	107.4
28	V	94.3	Very high	92.5	Very high	38 Å²	38	70.1 Å²	70.1	23%	0.23	39%	0.393	C	S	.	.			trans	-132.3	156.2	-178.7	-53.5	0	0	0	0	109.9	R26 P35 L39 A74	R26-V28 HydrophobicContact CB-CG1 4.34Å; V28-P35 HydrophobicContact CG2-CG 3.84Å; V28-P35 WeakPolarHBondContact O-CD 3.18Å; V28-L39 HydrophobicContact CG2-CD1 3.62Å; V28-A74 HydrophobicContact CG2-CB 3.67Å
29	T	96.3	Very high	93.6	Very high	96 Å²	96	63.4 Å²	63.4	59%	0.589	36%	0.357	S	S	*	.			trans	-122.4	144.6	168.6	-62.2	0	0	0	0	107.3	N34	T29-N34 WeakPolarHBondContact CG2-OD1 3.43Å; T29-N34 PolarHBondContact OG1-OD1 2.83Å
30	T	98	Very high	94.2	Very high	9 Å²	9	64.5 Å²	64.5	6%	0.055	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-113.6	166.5	-179.8	75.3	0	0	0	0	110.5	F32 G33 P35 A70 W73 A74	T30-F32 PolarHBondContact O-N 3.36Å; T30-F32 PolarHBondContact OG1-N 3.38Å; T30-F32 VanDerWaalsContact OG1-N 3.11Å; T30-G33 WeakPolarHBondContact CB-O 3.42Å; T30-G33 PolarHBondContact N-O 2.84Å; T30-G33 PolarHBondContact O-N 3.02Å; T30-G33 PolarHBondContact OG1-N 3.19Å; T30-G33 PolarHBondContact OG1-O 3.43Å; T30-P35 HydrophobicContact CG2-CG 4.34Å; T30-A70 HydrophobicContact CG2-CB 4.2Å; T30-A70 WeakPolarHBondContact CG2-O 3.31Å; T30-A70 WeakPolarHBondContact OG1-CA 3.44Å; T30-A70 WeakPolarHBondContact OG1-CB 3.49Å; T30-W73 HydrophobicContact CG2-CB 4.22Å; T30-A74 HydrophobicContact CG2-CB 3.89Å
31	P	97.3	Very high	94.5	Very high	80 Å²	80	65 Å²	65	52%	0.519	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.8	169	-26.1	36.5	0	0	0	114.3
32	F	98	Very high	94.6	Very high	15 Å²	15	58 Å²	58	7%	0.066	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	13.1	-179.3	-47.7	-74.1	0	0	0	113.1	T30 N67 R69 W73 F118 G124 L126	T30-F32 PolarHBondContact O-N 3.36Å; T30-F32 PolarHBondContact OG1-N 3.38Å; T30-F32 VanDerWaalsContact OG1-N 3.11Å; F32-N67 PolarHBondContact O-ND2 3.05Å; F32-R69 HydrophobicContact CB-CB 3.63Å; F32-R69 HydrophobicContact CD1-CB 4.35Å; F32-R69 HydrophobicContact CD2-CB 4.24Å; F32-R69 HydrophobicContact CG-CB 3.8Å; F32-W73 HydrophobicContact CD2-CB 3.91Å; F32-W73 HydrophobicContact CD2-CD2 4.14Å; F32-W73 HydrophobicContact CD2-CE3 4.43Å; F32-W73 AromaticContact CD2-CG 3.9Å; F32-W73 HydrophobicContact CD2-CG 3.9Å; F32-W73 HydrophobicContact CE2-CB 4.12Å; F32-W73 AromaticContact CE2-CD2 3.48Å; F32-W73 HydrophobicContact CE2-CD2 3.48Å; F32-W73 VanDerWaalsContact CE2-CD2 3.48Å; F32-W73 AromaticContact CE2-CE3 3.52Å; F32-W73 HydrophobicContact CE2-CE3 3.52Å; F32-W73 AromaticContact CE2-CG 3.74Å; F32-W73 HydrophobicContact CE2-CG 3.74Å; F32-W73 HydrophobicContact CE2-CZ3 4.05Å; F32-W73 HydrophobicContact CZ-CE3 4.26Å; F32-W73 HydrophobicContact CZ-CZ3 4.39Å; F32-F118 HydrophobicContact CD1-CD1 4.27Å; F32-F118 AromaticContact CD2-CD1 3.81Å; F32-F118 HydrophobicContact CD2-CD1 3.81Å; F32-F118 AromaticContact CD2-CE1 3.9Å; F32-F118 HydrophobicContact CD2-CE1 3.9Å; F32-F118 HydrophobicContact CE1-CB 4.27Å; F32-F118 AromaticContact CE1-CD1 3.85Å; F32-F118 HydrophobicContact CE1-CD1 3.85Å; F32-F118 AromaticContact CE2-CD1 3.36Å; F32-F118 HydrophobicContact CE2-CD1 3.36Å; F32-F118 AromaticContact CE2-CE1 3.75Å; F32-F118 HydrophobicContact CE2-CE1 3.75Å; F32-F118 HydrophobicContact CE2-CG 4.29Å; F32-F118 HydrophobicContact CG-CD1 4.25Å; F32-F118 HydrophobicContact CZ-CB 3.9Å; F32-F118 AromaticContact CZ-CD1 3.37Å; F32-F118 HydrophobicContact CZ-CD1 3.37Å; F32-F118 HydrophobicContact CZ-CE1 4.23Å; F32-F118 HydrophobicContact CZ-CG 4.01Å; F32-G124 WeakPolarHBondContact CD1-O 3.37Å; F32-G124 WeakPolarHBondContact CE1-O 3.36Å; F32-L126 HydrophobicContact CE1-CG 4.48Å; F32-L126 HydrophobicContact CZ-CD1 4.27Å; F32-L126 HydrophobicContact CZ-CD2 4.22Å; F32-L126 HydrophobicContact CZ-CG 3.91Å
33	G	97.3	Very high	94.8	Very high	30 Å²	30	56 Å²	56	31%	0.309	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	100.1	-161.5	-177.9	0	0	0	0	0	113.4	T30 A70	T30-G33 WeakPolarHBondContact CB-O 3.42Å; T30-G33 PolarHBondContact N-O 2.84Å; T30-G33 PolarHBondContact O-N 3.02Å; T30-G33 PolarHBondContact OG1-N 3.19Å; T30-G33 PolarHBondContact OG1-O 3.43Å; G33-A70 WeakPolarHBondContact O-CB 3.38Å
34	N	97.3	Very high	94.9	Very high	101 Å²	101	53.8 Å²	53.8	54%	0.54	30%	0.304	S	S	.	.			trans	-86.1	140.2	-176.7	-65.6	-32.3	0	0	0	111.4	T29 N67 A70	T29-N34 WeakPolarHBondContact CG2-OD1 3.43Å; T29-N34 PolarHBondContact OG1-OD1 2.83Å; N34-N67 PolarHBondContact O-ND2 3.38Å; N34-A70 VanDerWaalsContact C-CB 3.47Å; N34-A70 WeakPolarHBondContact O-CB 3.15Å
35	P	97.2	Very high	94.8	Very high	15 Å²	15	52.9 Å²	52.9	10%	0.097	30%	0.3	C	S	.	.			trans	-60.1	163.8	166.1	-21.8	34.7	0	0	0	111.7	V28 T30 G37 L39 L52 A70 N71 A74	V28-P35 HydrophobicContact CG2-CG 3.84Å; V28-P35 WeakPolarHBondContact O-CD 3.18Å; T30-P35 HydrophobicContact CG2-CG 4.34Å; P35-G37 PolarHBondContact O-N 2.89Å; P35-G37 VanDerWaalsContact O-N 3.14Å; P35-L39 HydrophobicContact CB-CD1 4.23Å; P35-L39 HydrophobicContact CG-CD1 4.07Å; P35-L52 HydrophobicContact CB-CD1 4.19Å; P35-A70 HydrophobicContact CG-CB 4.39Å; P35-N71 VanDerWaalsContact CA-OD1 3.25Å; P35-N71 WeakPolarHBondContact CA-OD1 3.25Å; P35-N71 WeakPolarHBondContact CB-OD1 3.15Å; P35-A74 HydrophobicContact CG-CB 3.64Å
36	S	95.1	Very high	94.8	Very high	17 Å²	17	51.3 Å²	51.3	12%	0.119	30%	0.303	C	S	.	.	S	Bend	trans	-56.7	-30	-179.3	-64.7	0	0	0	0	114.1	P53 R54 G56 N71	S36-P53 WeakPolarHBondContact CB-O 3.32Å; S36-R54 WeakPolarHBondContact CB-O 3.24Å; S36-R54 PolarHBondContact OG-O 3.43Å; S36-G56 WeakPolarHBondContact O-CA 3.44Å; S36-N71 PolarHBondContact N-OD1 3.16Å; S36-N71 PolarHBondContact OG-ND2 3.06Å; S36-N71 PolarHBondContact OG-OD1 3.39Å
37	G	91.6	Very high	95	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	29%	0.286	C	S	.	.	S	Bend	trans	-161.2	-173	-178.4	0	0	0	0	0	111.6	P35	P35-G37 PolarHBondContact O-N 2.89Å; P35-G37 VanDerWaalsContact O-N 3.14Å
38	V	91.6	Very high	95.2	Very high	68 Å²	68	42 Å²	42	41%	0.412	26%	0.26	S	S	.	.			trans	-69.6	145.2	173.5	-60.9	0	0	0	0	110.5	V25	V25-V38 HydrophobicContact CG1-CB 3.63Å; V25-V38 HydrophobicContact CG1-CG1 4.02Å; V25-V38 HydrophobicContact CG1-CG2 3.74Å
39	L	94	Very high	95.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.2	174.1	-65.6	87.3	0	0	0	108.4	V25 R26 V28 P35 V50 V51 L52 A74 L75 L78	V25-L39 CarbonylContact C-O 3.52Å; R26-L39 HydrophobicContact CB-CB 4.37Å; R26-L39 PolarHBondContact N-O 3.14Å; R26-L39 PolarHBondContact O-N 2.9Å; V28-L39 HydrophobicContact CG2-CD1 3.62Å; P35-L39 HydrophobicContact CB-CD1 4.23Å; P35-L39 HydrophobicContact CG-CD1 4.07Å; L39-V50 HydrophobicContact CB-CG1 3.81Å; L39-V50 HydrophobicContact CD2-CG1 3.88Å; L39-V50 HydrophobicContact CG-CG1 4.36Å; L39-V51 WeakPolarHBondContact CA-O 3.4Å; L39-L52 HydrophobicContact CD1-CD1 4.34Å; L39-L52 HydrophobicContact CG-CB 4.48Å; L39-L52 HydrophobicContact CG-CD1 4.06Å; L39-A74 HydrophobicContact CD1-CB 4.22Å; L39-A74 HydrophobicContact CD2-CB 3.82Å; L39-L75 HydrophobicContact CD2-CD2 4.01Å; L39-L75 HydrophobicContact CD2-CG 4.4Å; L39-L78 HydrophobicContact CB-CD1 4.15Å; L39-L78 HydrophobicContact CD2-CD1 3.58Å; L39-L78 HydrophobicContact CG-CD1 4.42Å
40	T	93.8	Very high	95.3	Very high	38 Å²	38	35.7 Å²	35.7	23%	0.233	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.7	176.5	-52.9	0	0	0	0	109.2	L20 A23 V50 V51	L20-T40 HydrophobicContact CD1-CG2 3.85Å; L20-T40 VanDerWaalsContact CD1-O 3.24Å; L20-T40 WeakPolarHBondContact CD1-O 3.41Å; A23-T40 HydrophobicContact CB-CG2 3.87Å; T40-V50 CarbonylContact O-C 3.59Å; T40-V50 WeakPolarHBondContact O-CA 3.44Å; T40-V51 PolarHBondContact N-O 3.45Å; T40-V51 PolarHBondContact O-N 3.11Å
41	E	94.7	Very high	95.2	Very high	25 Å²	25	35.8 Å²	35.8	12%	0.117	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	145.1	175.1	-60.7	-168.2	102.9	0	0	110.8	K5 A23 K24 R26 C49 V50 L78	K5-E41 IonicContact NZ-OE1 2.74Å; K5-E41 PolarHBondContact NZ-OE1 2.82Å; A23-E41 CarbonylContact C-O 3.45Å; A23-E41 VanDerWaalsContact CA-O 3.25Å; A23-E41 WeakPolarHBondContact CA-O 3.06Å; K24-E41 PolarHBondContact N-O 2.96Å; K24-E41 PolarHBondContact O-N 3.38Å; R26-E41 HydrophobicContact CG-CG 3.83Å; R26-E41 WeakPolarHBondContact CG-OE2 3.41Å; R26-E41 IonicContact CZ-OE2 3.22Å; R26-E41 VanDerWaalsContact CZ-OE2 3.22Å; R26-E41 IonicContact NE-OE2 2.67Å; R26-E41 PolarHBondContact NE-OE2 3.44Å; R26-E41 IonicContact NH2-OE2 2.91Å; R26-E41 PolarHBondContact NH2-OE2 3.3Å; E41-C49 CarbonylContact C-O 3.46Å; E41-C49 WeakPolarHBondContact CA-O 3.34Å; E41-V50 HydrophobicContact CG-CG1 4.36Å; E41-V50 HydrophobicContact CG-CG2 4.1Å; E41-L78 HydrophobicContact CG-CD1 4.39Å
42	G	94.7	Very high	95	Very high	7 Å²	7	32 Å²	32	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-152.4	173.2	0	0	0	0	0	111.1	K21 C49	K21-G42 CarbonylContact O-C 3.58Å; K21-G42 WeakPolarHBondContact O-CA 3.48Å; G42-C49 PolarHBondContact N-O 3.41Å; G42-C49 PolarHBondContact O-N 3.48Å
43	F	95.9	Very high	94.8	Very high	88 Å²	88	32.3 Å²	32.3	39%	0.386	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.2	-178.1	-62	-96	0	0	0	112	K21 N22 V47 P48	K21-F43 HydrophobicContact CB-CB 4.45Å; K21-F43 PolarHBondContact N-O 2.94Å; K21-F43 PolarHBondContact O-N 3.24Å; N22-F43 HydrophobicContact CB-CD2 4.39Å; F43-V47 VanDerWaalsContact CA-O 3.32Å; F43-V47 WeakPolarHBondContact CA-O 3.1Å; F43-P48 HydrophobicContact CD1-CG 4.35Å; F43-P48 HydrophobicContact CE1-CB 4.43Å; F43-P48 HydrophobicContact CE1-CG 3.98Å
44	V	94	Very high	94.7	Very high	5 Å²	5	31 Å²	31	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.6	168.2	169.3	0	0	0	0	108	L20 G46 V47 C49 L262 V265	L20-V44 HydrophobicContact CD2-CG2 3.64Å; V44-G46 PolarHBondContact O-N 2.78Å; V44-V47 PolarHBondContact N-O 2.92Å; V44-V47 WeakPolarHBondContact O-CB 3.31Å; V44-V47 PolarHBondContact O-N 3.16Å; V44-C49 HydrophobicContact CG2-CB 4.24Å; V44-L262 HydrophobicContact CB-CD2 4.18Å; V44-L262 HydrophobicContact CG1-CB 4.22Å; V44-L262 HydrophobicContact CG1-CD2 3.44Å; V44-L262 VanDerWaalsContact CG1-CD2 3.44Å; V44-L262 HydrophobicContact CG1-CG 4.45Å; V44-L262 HydrophobicContact CG2-CD2 3.63Å; V44-V265 HydrophobicContact CB-CB 4.38Å; V44-V265 HydrophobicContact CB-CG1 3.77Å; V44-V265 HydrophobicContact CG1-CB 3.98Å; V44-V265 HydrophobicContact CG1-CG1 3.82Å
45	K	90.4	Very high	94.6	Very high	122 Å²	122	27.2 Å²	27.2	53%	0.53	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	36.8	-179.8	-58.3	-173.4	-172.2	175.9	0	113.4	E263 R266	K45-E263 IonicContact NZ-OE2 3.78Å; K45-E263 PolarHBondContact NZ-OE2 3.33Å; K45-R266 HydrophobicContact CB-CB 4.4Å; K45-R266 HydrophobicContact CB-CG 4.1Å; K45-R266 HydrophobicContact CD-CB 3.85Å; K45-R266 HydrophobicContact CD-CG 3.75Å
46	G	93.7	Very high	94.2	Very high	61 Å²	61	27 Å²	27	63%	0.629	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-9.5	179.4	0	0	0	0	0	115.6	V44	V44-G46 PolarHBondContact O-N 2.78Å
47	V	96.9	Very high	93.6	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.5	179.5	-173.7	0	0	0	0	110	V4 V6 F43 V44 C49 V265	V4-V47 HydrophobicContact CG2-CG1 4.24Å; V6-V47 HydrophobicContact CG2-CG1 4.29Å; F43-V47 VanDerWaalsContact CA-O 3.32Å; F43-V47 WeakPolarHBondContact CA-O 3.1Å; V44-V47 PolarHBondContact N-O 2.92Å; V44-V47 WeakPolarHBondContact O-CB 3.31Å; V44-V47 PolarHBondContact O-N 3.16Å; V47-C49 PolarHBondContact O-N 3.09Å; V47-V265 HydrophobicContact CB-CG1 3.68Å; V47-V265 HydrophobicContact CG1-CG1 3.89Å; V47-V265 HydrophobicContact CG2-CG1 4.2Å
48	P	97.4	Very high	93.2	Very high	30 Å²	30	39.6 Å²	39.6	20%	0.195	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	130.2	173.3	-24.1	33.8	0	0	0	112	K5 V6 F43	K5-P48 WeakPolarHBondContact CA-O 3.42Å; K5-P48 HydrophobicContact CB-CB 4.13Å; K5-P48 HydrophobicContact CD-CB 4.15Å; K5-P48 HydrophobicContact CG-CB 3.83Å; V6-P48 PolarHBondContact N-O 2.69Å; F43-P48 HydrophobicContact CD1-CG 4.35Å; F43-P48 HydrophobicContact CE1-CB 4.43Å; F43-P48 HydrophobicContact CE1-CG 3.98Å
49	C	96.8	Very high	93	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.7	-179.4	-75.9	0	0	0	0	112.5	V6 L20 E41 G42 V44 V47 V265	V6-C49 CarbonylContact O-C 3.56Å; V6-C49 VanDerWaalsContact O-CA 3.24Å; V6-C49 WeakPolarHBondContact O-CA 3.41Å; L20-C49 HydrophobicContact CD2-CB 3.7Å; E41-C49 CarbonylContact C-O 3.46Å; E41-C49 WeakPolarHBondContact CA-O 3.34Å; G42-C49 PolarHBondContact N-O 3.41Å; G42-C49 PolarHBondContact O-N 3.48Å; V44-C49 HydrophobicContact CG2-CB 4.24Å; V47-C49 PolarHBondContact O-N 3.09Å; C49-V265 VanDerWaalsContact SG-CG1 3.51Å
50	V	96	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.9	170.8	-169.2	0	0	0	0	108.9	K5 V6 G7 I8 L39 T40 E41 L75 L78	K5-V50 HydrophobicContact CD-CG2 4.38Å; K5-V50 HydrophobicContact CG-CG2 4.4Å; V6-V50 PolarHBondContact O-N 2.82Å; G7-V50 CarbonylContact C-O 3.57Å; G7-V50 VanDerWaalsContact CA-O 3.3Å; G7-V50 WeakPolarHBondContact CA-O 3.39Å; I8-V50 PolarHBondContact N-O 3.26Å; L39-V50 HydrophobicContact CB-CG1 3.81Å; L39-V50 HydrophobicContact CD2-CG1 3.88Å; L39-V50 HydrophobicContact CG-CG1 4.36Å; T40-V50 CarbonylContact O-C 3.59Å; T40-V50 WeakPolarHBondContact O-CA 3.44Å; E41-V50 HydrophobicContact CG-CG1 4.36Å; E41-V50 HydrophobicContact CG-CG2 4.1Å; V50-L75 HydrophobicContact CB-CD2 3.82Å; V50-L75 HydrophobicContact CG1-CD2 3.75Å; V50-L78 HydrophobicContact CG1-CD1 3.78Å; V50-L78 HydrophobicContact CG2-CB 4.43Å; V50-L78 HydrophobicContact CG2-CD1 4.28Å
51	V	94.9	Very high	92.9	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.3	177.3	178.3	0	0	0	0	109.3	I8 L19 L20 L39 T40	I8-V51 HydrophobicContact CB-CG2 4.19Å; I8-V51 HydrophobicContact CD1-CG2 4.44Å; I8-V51 WeakPolarHBondContact O-CA 3.32Å; L19-V51 HydrophobicContact CD2-CG2 3.83Å; L20-V51 HydrophobicContact CD1-CB 4.31Å; L20-V51 HydrophobicContact CD1-CG2 3.76Å; L20-V51 HydrophobicContact CD2-CG2 4.1Å; L20-V51 HydrophobicContact CG-CG2 4.08Å; L39-V51 WeakPolarHBondContact CA-O 3.4Å; T40-V51 PolarHBondContact N-O 3.45Å; T40-V51 PolarHBondContact O-N 3.11Å
52	L	94.6	Very high	92.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120.4	178.2	172.6	66.5	0	0	0	109.9	I8 I9 G10 P35 L39 R54 N71 L75	I8-L52 PolarHBondContact O-N 2.88Å; I9-L52 WeakPolarHBondContact CA-O 3.38Å; G10-L52 PolarHBondContact N-O 3.33Å; P35-L52 HydrophobicContact CB-CD1 4.19Å; L39-L52 HydrophobicContact CD1-CD1 4.34Å; L39-L52 HydrophobicContact CG-CB 4.48Å; L39-L52 HydrophobicContact CG-CD1 4.06Å; L52-R54 PolarHBondContact O-N 3.09Å; L52-N71 HydrophobicContact CD2-CB 3.52Å; L52-L75 HydrophobicContact CD2-CD1 4.39Å
53	P	93.7	Very high	93	Very high	22 Å²	22	49.9 Å²	49.9	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.7	174.7	28.7	-34.1	0	0	0	110.8	G10 S36 H55 G56	G10-P53 WeakPolarHBondContact O-CA 3.24Å; S36-P53 WeakPolarHBondContact CB-O 3.32Å; P53-H55 VanDerWaalsContact C-N 3.33Å; P53-H55 PolarHBondContact O-N 3.11Å; P53-G56 PolarHBondContact O-N 2.9Å
54	R	95.3	Very high	93	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.015	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-41	-173.5	-165.7	-176	-76.8	94.8	7.4	113.3	I9 G10 S36 L52 G56 I66 T86 N87 E211	I9-R54 HydrophobicContact CG2-CB 3.86Å; I9-R54 HydrophobicContact CG2-CG 4.14Å; I9-R54 PolarHBondContact O-NH2 3.31Å; G10-R54 PolarHBondContact O-N 3.14Å; S36-R54 WeakPolarHBondContact CB-O 3.24Å; S36-R54 PolarHBondContact OG-O 3.43Å; L52-R54 PolarHBondContact O-N 3.09Å; R54-G56 VanDerWaalsContact C-N 3.34Å; R54-I66 HydrophobicContact CG-CD1 3.66Å; R54-I66 HydrophobicContact CG-CG2 4.21Å; R54-I66 WeakPolarHBondContact O-CG1 3.2Å; R54-T86 PolarHBondContact NH1-O 3.38Å; R54-T86 PolarHBondContact NH2-O 3.28Å; R54-N87 PolarHBondContact NH2-ND2 3.33Å; R54-E211 IonicContact CZ-OE1 3.41Å; R54-E211 IonicContact CZ-OE2 2.69Å; R54-E211 IonicContact NE-OE1 3.46Å; R54-E211 IonicContact NE-OE2 2.67Å; R54-E211 PolarHBondContact NE-OE2 3.39Å; R54-E211 IonicContact NH2-OE1 3.38Å; R54-E211 PolarHBondContact NH2-OE1 3.4Å; R54-E211 IonicContact NH2-OE2 2.82Å; R54-E211 PolarHBondContact NH2-OE2 3.39Å; R54-E211 VanDerWaalsContact NH2-OE2 3.16Å
55	H	93.8	Very high	93.2	Very high	20 Å²	20	52.7 Å²	52.7	9%	0.093	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.1	-176	-64.3	-87.5	0	0	0	113.5	P53 H59 L60 L61 I66	P53-H55 VanDerWaalsContact C-N 3.33Å; P53-H55 PolarHBondContact O-N 3.11Å; H55-H59 HydrophobicContact CB-CB 4.32Å; H55-H59 AromaticContact CD2-CE1 3.28Å; H55-H59 PolarHBondContact CD2-CE1 2.93Å; H55-H59 AromaticContact CD2-ND1 3.97Å; H55-H59 AromaticContact CD2-NE2 3.49Å; H55-H59 PolarHBondContact CD2-NE2 2.93Å; H55-H59 AromaticContact CE1-NE2 3.97Å; H55-H59 AromaticContact CG-CD2 3.78Å; H55-H59 AromaticContact CG-CE1 3.49Å; H55-H59 VanDerWaalsContact CG-CE1 3.49Å; H55-H59 AromaticContact CG-ND1 3.89Å; H55-H59 AromaticContact CG-NE2 3.4Å; H55-H59 AromaticContact ND1-NE2 3.72Å; H55-H59 AromaticContact NE2-CE1 3.99Å; H55-H59 AromaticContact NE2-NE2 3.9Å; H55-L60 PolarHBondContact O-N 2.96Å; H55-L61 PolarHBondContact ND1-O 2.74Å; H55-L61 PolarHBondContact O-N 3.45Å; H55-I66 VanDerWaalsContact CE1-CD1 3.48Å; H55-I66 WeakPolarHBondContact CE1-CD1 3.34Å
56	G	89.7	Confident	93.5	Very high	10 Å²	10	47.3 Å²	47.3	10%	0.103	26%	0.256	C	S	.	.			trans	70.1	-169.2	-177.8	0	0	0	0	0	113.5	S36 P53 R54 H59	S36-G56 WeakPolarHBondContact O-CA 3.44Å; P53-G56 PolarHBondContact O-N 2.9Å; R54-G56 VanDerWaalsContact C-N 3.34Å; G56-H59 PolarHBondContact O-N 2.88Å
57	K	81.4	Confident	93.6	Very high	160 Å²	160	46.6 Å²	46.6	70%	0.696	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-63.8	137.7	178	-169.3	-174.6	176.7	-162.5	0	109.7	H59	K57-H59 PolarHBondContact O-N 2.85Å
58	E	83.5	Confident	93.7	Very high	145 Å²	145	46.3 Å²	46.3	68%	0.678	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	59.4	15.9	177.6	-68.8	160.2	-147.8	0	0	114.5	L60	E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 HydrophobicContact CB-CD1 4.3Å; E58-L60 HydrophobicContact CB-CD2 4.47Å; E58-L60 HydrophobicContact CB-CG 4.02Å; E58-L60 PolarHBondContact O-N 2.95Å
59	H	88.1	Confident	93.8	Very high	90 Å²	90	46 Å²	46	42%	0.417	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	59.3	34.2	176.6	-147.4	101.1	0	0	0	113.8	S12 H55 G56 K57	S12-H59 PolarHBondContact OG-ND1 2.86Å; H55-H59 HydrophobicContact CB-CB 4.32Å; H55-H59 AromaticContact CD2-CE1 3.28Å; H55-H59 PolarHBondContact CD2-CE1 2.93Å; H55-H59 AromaticContact CD2-ND1 3.97Å; H55-H59 AromaticContact CD2-NE2 3.49Å; H55-H59 PolarHBondContact CD2-NE2 2.93Å; H55-H59 AromaticContact CE1-NE2 3.97Å; H55-H59 AromaticContact CG-CD2 3.78Å; H55-H59 AromaticContact CG-CE1 3.49Å; H55-H59 VanDerWaalsContact CG-CE1 3.49Å; H55-H59 AromaticContact CG-ND1 3.89Å; H55-H59 AromaticContact CG-NE2 3.4Å; H55-H59 AromaticContact ND1-NE2 3.72Å; H55-H59 AromaticContact NE2-CE1 3.99Å; H55-H59 AromaticContact NE2-NE2 3.9Å; G56-H59 PolarHBondContact O-N 2.88Å; K57-H59 PolarHBondContact O-N 2.85Å
60	L	92.1	Very high	93.9	Very high	128 Å²	128	45.9 Å²	45.9	67%	0.67	23%	0.23	S	C	*	.			trans	-80.4	-16.9	-171.5	-64.9	176.5	0	0	0	114.8	H55 E58	H55-L60 PolarHBondContact O-N 2.96Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 HydrophobicContact CB-CD1 4.3Å; E58-L60 HydrophobicContact CB-CD2 4.47Å; E58-L60 HydrophobicContact CB-CG 4.02Å; E58-L60 PolarHBondContact O-N 2.95Å
61	L	94.1	Very high	94	Very high	52 Å²	52	46 Å²	46	27%	0.272	23%	0.23	S	C	.	.	S	Bend	trans	-86.9	125.8	180	-61.7	173.1	0	0	0	111	H55 I66	H55-L61 PolarHBondContact ND1-O 2.74Å; H55-L61 PolarHBondContact O-N 3.45Å; L61-I66 HydrophobicContact CB-CG1 4.11Å
62	L	94.9	Very high	94.2	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.366	23%	0.227	S	C	.	.			trans	-65.6	155.1	170.3	-62.4	178	0	0	0	111	S64 E65 I66 P185	L62-S64 PolarHBondContact O-N 2.83Å; L62-S64 VanDerWaalsContact O-N 3.07Å; L62-E65 HydrophobicContact CB-CB 4.39Å; L62-E65 HydrophobicContact CB-CG 4.05Å; L62-E65 WeakPolarHBondContact CB-OE2 3.39Å; L62-E65 WeakPolarHBondContact CG-OE2 3.34Å; L62-E65 PolarHBondContact N-OE2 3.45Å; L62-E65 PolarHBondContact O-N 3.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.3Å; L62-I66 PolarHBondContact O-N 3.02Å; L62-P185 HydrophobicContact CD1-CB 4.28Å; L62-P185 HydrophobicContact CD1-CG 4.37Å; L62-P185 HydrophobicContact CD2-CB 4.04Å
63	P	95.7	Very high	94.3	Very high	16 Å²	16	47 Å²	47	10%	0.104	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.2	174.4	-29.3	35.2	0	0	0	115.4	Y68 M206 T207	P63-Y68 WeakPolarHBondContact O-CE2 3.47Å; P63-Y68 PolarHBondContact O-OH 3.21Å; P63-M206 HydrophobicContact CB-CB 3.56Å; P63-M206 HydrophobicContact CG-CB 3.69Å; P63-M206 HydrophobicContact CG-CG 4.41Å; P63-M206 HydrophobicContact CG-SD 3.85Å; P63-T207 HydrophobicContact CB-CG2 4.14Å; P63-T207 HydrophobicContact CG-CG2 4.42Å
64	S	97.1	Very high	94.6	Very high	40 Å²	40	45.9 Å²	45.9	28%	0.28	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.2	178.8	54.5	0	0	0	0	114.5	L62	L62-S64 PolarHBondContact O-N 2.83Å; L62-S64 VanDerWaalsContact O-N 3.07Å
65	E	96.7	Very high	94.7	Very high	112 Å²	112	45.7 Å²	45.7	52%	0.523	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-8.8	-176.7	-64.6	173.7	151.3	0	0	112.6	L62 N67	L62-E65 HydrophobicContact CB-CB 4.39Å; L62-E65 HydrophobicContact CB-CG 4.05Å; L62-E65 WeakPolarHBondContact CB-OE2 3.39Å; L62-E65 WeakPolarHBondContact CG-OE2 3.34Å; L62-E65 PolarHBondContact N-OE2 3.45Å; L62-E65 PolarHBondContact O-N 3.48Å; E65-N67 PolarHBondContact O-N 3.33Å
66	I	96.3	Very high	95	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.041	24%	0.235	C	C	.	.			trans	-63.3	127	178.1	-70.4	164.7	0	0	0	109.6	R54 H55 L61 L62 Y68	R54-I66 HydrophobicContact CG-CD1 3.66Å; R54-I66 HydrophobicContact CG-CG2 4.21Å; R54-I66 WeakPolarHBondContact O-CG1 3.2Å; H55-I66 VanDerWaalsContact CE1-CD1 3.48Å; H55-I66 WeakPolarHBondContact CE1-CD1 3.34Å; L61-I66 HydrophobicContact CB-CG1 4.11Å; L62-I66 WeakPolarHBondContact O-CG1 3.3Å; L62-I66 PolarHBondContact O-N 3.02Å; I66-Y68 VanDerWaalsContact C-N 3.26Å; I66-Y68 HydrophobicContact CB-CD2 4.12Å; I66-Y68 HydrophobicContact CB-CE1 4.24Å; I66-Y68 HydrophobicContact CB-CE2 3.64Å; I66-Y68 HydrophobicContact CG2-CD1 3.81Å; I66-Y68 HydrophobicContact CG2-CD2 3.95Å; I66-Y68 HydrophobicContact CG2-CE1 3.72Å; I66-Y68 HydrophobicContact CG2-CE2 3.84Å; I66-Y68 HydrophobicContact CG2-CG 3.93Å; I66-Y68 WeakPolarHBondContact O-CD2 3.46Å; I66-Y68 WeakPolarHBondContact O-CE2 3.3Å; I66-Y68 PolarHBondContact O-N 3.3Å
67	N	97.7	Very high	95.3	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.251	25%	0.254	S	S	.	.			trans	-80.3	75.7	173.4	-168.5	-14.1	0	0	0	110.5	F32 N34 E65 R69 A70 N71	F32-N67 PolarHBondContact O-ND2 3.05Å; N34-N67 PolarHBondContact O-ND2 3.38Å; E65-N67 PolarHBondContact O-N 3.33Å; N67-R69 PolarHBondContact O-N 3.35Å; N67-A70 HydrophobicContact CB-CB 4.1Å; N67-A70 VanDerWaalsContact CG-CB 3.41Å; N67-A70 WeakPolarHBondContact ND2-CB 3.34Å; N67-A70 PolarHBondContact O-N 2.67Å; N67-A70 VanDerWaalsContact O-N 3.16Å; N67-A70 PolarHBondContact OD1-N 3.39Å; N67-N71 PolarHBondContact O-N 2.94Å
68	Y	98.3	Very high	96.1	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-36.4	-178.5	-63.4	-85.5	0	0	0	112.4	P63 I66 N71 I72 P210 E211	P63-Y68 WeakPolarHBondContact O-CE2 3.47Å; P63-Y68 PolarHBondContact O-OH 3.21Å; I66-Y68 VanDerWaalsContact C-N 3.26Å; I66-Y68 HydrophobicContact CB-CD2 4.12Å; I66-Y68 HydrophobicContact CB-CE1 4.24Å; I66-Y68 HydrophobicContact CB-CE2 3.64Å; I66-Y68 HydrophobicContact CG2-CD1 3.81Å; I66-Y68 HydrophobicContact CG2-CD2 3.95Å; I66-Y68 HydrophobicContact CG2-CE1 3.72Å; I66-Y68 HydrophobicContact CG2-CE2 3.84Å; I66-Y68 HydrophobicContact CG2-CG 3.93Å; I66-Y68 WeakPolarHBondContact O-CD2 3.46Å; I66-Y68 WeakPolarHBondContact O-CE2 3.3Å; I66-Y68 PolarHBondContact O-N 3.3Å; Y68-N71 PolarHBondContact O-N 3.38Å; Y68-I72 WeakPolarHBondContact O-CG1 3.4Å; Y68-I72 PolarHBondContact O-N 3.44Å; Y68-P210 HydrophobicContact CD2-CG 3.9Å; Y68-P210 HydrophobicContact CG-CG 3.94Å; Y68-E211 HydrophobicContact CD1-CB 3.82Å; Y68-E211 HydrophobicContact CD1-CG 4.39Å; Y68-E211 HydrophobicContact CE1-CB 4.22Å
69	R	98.7	Very high	96.8	Very high	23 Å²	23	41.9 Å²	41.9	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-50.9	176.3	-64.5	-161.8	-60	-179.1	-5.6	111.2	F32 N67 N71 W73 E115 T117 F118 S125 L214	F32-R69 HydrophobicContact CB-CB 3.63Å; F32-R69 HydrophobicContact CD1-CB 4.35Å; F32-R69 HydrophobicContact CD2-CB 4.24Å; F32-R69 HydrophobicContact CG-CB 3.8Å; N67-R69 PolarHBondContact O-N 3.35Å; R69-N71 VanDerWaalsContact C-N 3.34Å; R69-N71 PolarHBondContact O-N 3.23Å; R69-W73 WeakPolarHBondContact O-CB 3.37Å; R69-W73 PolarHBondContact O-N 3.31Å; R69-E115 HydrophobicContact CG-CB 4.16Å; R69-E115 IonicContact CZ-OE2 3.52Å; R69-E115 IonicContact NH1-OE2 2.68Å; R69-E115 IonicContact NH2-OE2 3.43Å; R69-T117 WeakPolarHBondContact CD-O 3.03Å; R69-T117 PolarHBondContact NH1-O 2.99Å; R69-F118 HydrophobicContact CB-CD1 4.06Å; R69-F118 HydrophobicContact CB-CE1 3.69Å; R69-F118 HydrophobicContact CG-CD1 4.12Å; R69-F118 HydrophobicContact CG-CE1 4.06Å; R69-F118 WeakPolarHBondContact O-CE1 3.46Å; R69-S125 PolarHBondContact NH1-OG 2.87Å; R69-L214 HydrophobicContact CG-CD1 3.86Å; R69-L214 HydrophobicContact CG-CD2 3.93Å
70	A	98.5	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-38.5	178.8	0	0	0	0	0	112.4	T30 G33 N34 P35 N67 A74	T30-A70 HydrophobicContact CG2-CB 4.2Å; T30-A70 WeakPolarHBondContact CG2-O 3.31Å; T30-A70 WeakPolarHBondContact OG1-CA 3.44Å; T30-A70 WeakPolarHBondContact OG1-CB 3.49Å; G33-A70 WeakPolarHBondContact O-CB 3.38Å; N34-A70 VanDerWaalsContact C-CB 3.47Å; N34-A70 WeakPolarHBondContact O-CB 3.15Å; P35-A70 HydrophobicContact CG-CB 4.39Å; N67-A70 HydrophobicContact CB-CB 4.1Å; N67-A70 VanDerWaalsContact CG-CB 3.41Å; N67-A70 WeakPolarHBondContact ND2-CB 3.34Å; N67-A70 PolarHBondContact O-N 2.67Å; N67-A70 VanDerWaalsContact O-N 3.16Å; N67-A70 PolarHBondContact OD1-N 3.39Å; A70-A74 WeakPolarHBondContact O-CB 3.41Å; A70-A74 PolarHBondContact O-N 3.24Å
71	N	98.3	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-52.9	177.3	-73.4	-7.8	0	0	0	112.2	P35 S36 L52 N67 Y68 R69 L75	P35-N71 VanDerWaalsContact CA-OD1 3.25Å; P35-N71 WeakPolarHBondContact CA-OD1 3.25Å; P35-N71 WeakPolarHBondContact CB-OD1 3.15Å; S36-N71 PolarHBondContact N-OD1 3.16Å; S36-N71 PolarHBondContact OG-ND2 3.06Å; S36-N71 PolarHBondContact OG-OD1 3.39Å; L52-N71 HydrophobicContact CD2-CB 3.52Å; N67-N71 PolarHBondContact O-N 2.94Å; Y68-N71 PolarHBondContact O-N 3.38Å; R69-N71 VanDerWaalsContact C-N 3.34Å; R69-N71 PolarHBondContact O-N 3.23Å; N71-L75 WeakPolarHBondContact O-CG 3.03Å; N71-L75 PolarHBondContact O-N 3.37Å
72	I	98.8	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-42.4	-180	-64.1	-59.4	0	0	0	110.9	I9 Y68 L75 K76 I83 F118 E211 L214 A215 A218 L220	I9-I72 HydrophobicContact CD1-CD1 3.88Å; Y68-I72 WeakPolarHBondContact O-CG1 3.4Å; Y68-I72 PolarHBondContact O-N 3.44Å; I72-L75 PolarHBondContact O-N 3.06Å; I72-K76 PolarHBondContact O-N 3.32Å; I72-I83 HydrophobicContact CD1-CD1 3.52Å; I72-F118 HydrophobicContact CB-CZ 4.04Å; I72-F118 HydrophobicContact CG2-CE2 4.23Å; I72-F118 HydrophobicContact CG2-CZ 3.83Å; I72-E211 HydrophobicContact CD1-CG 3.91Å; I72-L214 HydrophobicContact CB-CB 4.31Å; I72-L214 HydrophobicContact CG1-CB 3.95Å; I72-L214 HydrophobicContact CG2-CB 4.33Å; I72-A215 HydrophobicContact CD1-CB 4.11Å; I72-A218 HydrophobicContact CG2-CB 3.67Å; I72-L220 HydrophobicContact CG2-CD1 4.25Å
73	W	98.8	Very high	98	Very high	32 Å²	32	27 Å²	27	12%	0.121	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-39.3	-178.6	-165.6	-89.9	0	0	0	112.6	T30 F32 R69 L75 K76 E77 F118 L126	T30-W73 HydrophobicContact CG2-CB 4.22Å; F32-W73 HydrophobicContact CD2-CB 3.91Å; F32-W73 HydrophobicContact CD2-CD2 4.14Å; F32-W73 HydrophobicContact CD2-CE3 4.43Å; F32-W73 AromaticContact CD2-CG 3.9Å; F32-W73 HydrophobicContact CD2-CG 3.9Å; F32-W73 HydrophobicContact CE2-CB 4.12Å; F32-W73 AromaticContact CE2-CD2 3.48Å; F32-W73 HydrophobicContact CE2-CD2 3.48Å; F32-W73 VanDerWaalsContact CE2-CD2 3.48Å; F32-W73 AromaticContact CE2-CE3 3.52Å; F32-W73 HydrophobicContact CE2-CE3 3.52Å; F32-W73 AromaticContact CE2-CG 3.74Å; F32-W73 HydrophobicContact CE2-CG 3.74Å; F32-W73 HydrophobicContact CE2-CZ3 4.05Å; F32-W73 HydrophobicContact CZ-CE3 4.26Å; F32-W73 HydrophobicContact CZ-CZ3 4.39Å; R69-W73 WeakPolarHBondContact O-CB 3.37Å; R69-W73 PolarHBondContact O-N 3.31Å; W73-L75 VanDerWaalsContact C-N 3.34Å; W73-L75 PolarHBondContact O-N 2.9Å; W73-K76 HydrophobicContact CD2-CD 4.41Å; W73-K76 HydrophobicContact CE3-CD 4.01Å; W73-K76 HydrophobicContact CZ3-CD 4.1Å; W73-K76 WeakPolarHBondContact O-CB 3.38Å; W73-K76 PolarHBondContact O-N 2.99Å; W73-E77 PolarHBondContact NE1-OE1 2.95Å; W73-E77 PolarHBondContact O-N 3.01Å; W73-F118 HydrophobicContact CB-CE1 4.18Å; W73-F118 HydrophobicContact CB-CZ 4.47Å; W73-F118 HydrophobicContact CE3-CD1 4.12Å; W73-F118 AromaticContact CE3-CE1 3.95Å; W73-F118 HydrophobicContact CE3-CE1 3.95Å; W73-F118 HydrophobicContact CE3-CE2 4.37Å; W73-F118 HydrophobicContact CE3-CG 4.37Å; W73-F118 HydrophobicContact CE3-CZ 4.09Å; W73-F118 HydrophobicContact CZ3-CG 4.46Å; W73-L126 HydrophobicContact CH2-CD1 3.71Å; W73-L126 HydrophobicContact CH2-CD2 4.48Å; W73-L126 HydrophobicContact CZ3-CD1 3.81Å
74	A	98.5	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-42.3	175.3	0	0	0	0	0	112	V28 T30 P35 L39 A70 E77 L78	V28-A74 HydrophobicContact CG2-CB 3.67Å; T30-A74 HydrophobicContact CG2-CB 3.89Å; P35-A74 HydrophobicContact CG-CB 3.64Å; L39-A74 HydrophobicContact CD1-CB 4.22Å; L39-A74 HydrophobicContact CD2-CB 3.82Å; A70-A74 WeakPolarHBondContact O-CB 3.41Å; A70-A74 PolarHBondContact O-N 3.24Å; A74-E77 PolarHBondContact O-N 3Å; A74-L78 WeakPolarHBondContact O-CG 3.42Å; A74-L78 PolarHBondContact O-N 3.44Å
75	L	98.5	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-42.3	174.7	-69	170.3	0	0	0	111.3	I9 L39 V50 L52 N71 I72 W73 L78 G79 C80 I83	I9-L75 HydrophobicContact CD1-CD1 3.74Å; I9-L75 HydrophobicContact CG1-CD1 3.72Å; L39-L75 HydrophobicContact CD2-CD2 4.01Å; L39-L75 HydrophobicContact CD2-CG 4.4Å; V50-L75 HydrophobicContact CB-CD2 3.82Å; V50-L75 HydrophobicContact CG1-CD2 3.75Å; L52-L75 HydrophobicContact CD2-CD1 4.39Å; N71-L75 WeakPolarHBondContact O-CG 3.03Å; N71-L75 PolarHBondContact O-N 3.37Å; I72-L75 PolarHBondContact O-N 3.06Å; W73-L75 VanDerWaalsContact C-N 3.34Å; W73-L75 PolarHBondContact O-N 2.9Å; L75-L78 PolarHBondContact O-N 3.31Å; L75-G79 PolarHBondContact O-N 3.25Å; L75-C80 HydrophobicContact CB-CB 4.24Å; L75-C80 WeakPolarHBondContact O-CB 3.37Å; L75-C80 PolarHBondContact O-N 3.29Å; L75-C80 PolarHBondContact O-SG 3.47Å; L75-I83 HydrophobicContact CB-CD1 4.34Å; L75-I83 HydrophobicContact CD1-CD1 3.74Å; L75-I83 HydrophobicContact CD1-CG1 4.08Å
76	K	98.4	Very high	98.1	Very high	70 Å²	70	19.1 Å²	19.1	30%	0.304	10%	0.102	S	C	.	.	H	α-helix	trans	-58.9	-48.1	174.1	-176	-171.5	-178.3	174.7	0	111.9	I72 W73 L78 G79 A218 L220	I72-K76 PolarHBondContact O-N 3.32Å; W73-K76 HydrophobicContact CD2-CD 4.41Å; W73-K76 HydrophobicContact CE3-CD 4.01Å; W73-K76 HydrophobicContact CZ3-CD 4.1Å; W73-K76 WeakPolarHBondContact O-CB 3.38Å; W73-K76 PolarHBondContact O-N 2.99Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 2.85Å; K76-G79 WeakPolarHBondContact O-CA 3.34Å; K76-G79 PolarHBondContact O-N 3.2Å; K76-A218 HydrophobicContact CD-CB 4.02Å; K76-A218 WeakPolarHBondContact CE-O 3.47Å; K76-L220 HydrophobicContact CB-CD1 4.27Å
77	E	97.8	Very high	98	Very high	106 Å²	106	18.9 Å²	18.9	50%	0.495	10%	0.101	S	C	.	.	H	α-helix	trans	-65.4	-32.1	-179.7	-77.6	-175.2	159.5	0	0	112.8	W73 A74 G79	W73-E77 PolarHBondContact NE1-OE1 2.95Å; W73-E77 PolarHBondContact O-N 3.01Å; A74-E77 PolarHBondContact O-N 3Å; E77-G79 PolarHBondContact O-N 3.19Å
78	L	97.1	Very high	97.8	Very high	36 Å²	36	18.3 Å²	18.3	19%	0.188	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	2.9	171.5	-69.5	177.7	0	0	0	113.4	K5 L39 E41 V50 A74 L75 K76	K5-L78 WeakPolarHBondContact CD-O 3.46Å; K5-L78 WeakPolarHBondContact CE-O 3.47Å; K5-L78 PolarHBondContact NZ-O 3Å; L39-L78 HydrophobicContact CB-CD1 4.15Å; L39-L78 HydrophobicContact CD2-CD1 3.58Å; L39-L78 HydrophobicContact CG-CD1 4.42Å; E41-L78 HydrophobicContact CG-CD1 4.39Å; V50-L78 HydrophobicContact CG1-CD1 3.78Å; V50-L78 HydrophobicContact CG2-CB 4.43Å; V50-L78 HydrophobicContact CG2-CD1 4.28Å; A74-L78 WeakPolarHBondContact O-CG 3.42Å; A74-L78 PolarHBondContact O-N 3.44Å; L75-L78 PolarHBondContact O-N 3.31Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 2.85Å
79	G	97.6	Very high	97.8	Very high	43 Å²	43	18.1 Å²	18.1	44%	0.443	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	17.6	175.4	0	0	0	0	0	114.2	L75 K76 E77 T81	L75-G79 PolarHBondContact O-N 3.25Å; K76-G79 WeakPolarHBondContact O-CA 3.34Å; K76-G79 PolarHBondContact O-N 3.2Å; E77-G79 PolarHBondContact O-N 3.19Å; G79-T81 PolarHBondContact O-N 3.15Å
80	C	98.6	Very high	97.7	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.041	10%	0.101	C	C	.	.			trans	-58.8	139.9	171.2	-68.3	0	0	0	0	110.2	K5 L75 L220	K5-C80 CarbonylContact O-C 3.56Å; K5-C80 VanDerWaalsContact O-CA 3.3Å; K5-C80 WeakPolarHBondContact O-CA 3.41Å; L75-C80 HydrophobicContact CB-CB 4.24Å; L75-C80 WeakPolarHBondContact O-CB 3.37Å; L75-C80 PolarHBondContact O-N 3.29Å; L75-C80 PolarHBondContact O-SG 3.47Å; C80-L220 WeakPolarHBondContact O-CD2 3.5Å
81	T	98.8	Very high	97.7	Very high	20 Å²	20	17.3 Å²	17.3	12%	0.123	10%	0.101	C	C	.	.			trans	-106.5	-21.9	173.2	54.8	0	0	0	0	111.6	K5 G79 S221 I277	K5-T81 PolarHBondContact N-OG1 2.73Å; K5-T81 PolarHBondContact O-N 3.26Å; K5-T81 PolarHBondContact O-OG1 2.93Å; G79-T81 PolarHBondContact O-N 3.15Å; T81-S221 PolarHBondContact O-N 2.82Å; T81-I277 HydrophobicContact CG2-CD1 3.73Å; T81-I277 HydrophobicContact CG2-CG1 4.42Å
82	H	98.8	Very high	97.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.8	-179	-62.9	71.4	0	0	0	110.6	K5 V6 G7 T142 S221 I268 W273	K5-H82 PolarHBondContact O-N 2.82Å; V6-H82 HydrophobicContact CG1-CB 4.25Å; V6-H82 HydrophobicContact CG2-CB 4.29Å; G7-H82 PolarHBondContact N-O 3.02Å; H82-T142 PolarHBondContact CD2-OG1 2.98Å; H82-S221 CarbonylContact C-O 3.56Å; H82-S221 VanDerWaalsContact CA-O 3.23Å; H82-S221 WeakPolarHBondContact CA-O 3.44Å; H82-S221 WeakPolarHBondContact CD2-CB 3.44Å; H82-I268 HydrophobicContact CB-CD1 4.35Å; H82-W273 AromaticContact CE1-CD2 3.5Å; H82-W273 VanDerWaalsContact CE1-CD2 3.5Å; H82-W273 AromaticContact CE1-CE2 3.9Å; H82-W273 AromaticContact CE1-CE3 3.79Å; H82-W273 AromaticContact CE1-CG 3.66Å; H82-W273 AromaticContact NE2-CD2 3.2Å; H82-W273 AromaticContact NE2-CE2 3.48Å; H82-W273 AromaticContact NE2-CE3 3.13Å; H82-W273 AromaticContact NE2-CG 3.88Å; H82-W273 AromaticContact NE2-CH2 3.62Å; H82-W273 AromaticContact NE2-CZ2 3.7Å; H82-W273 AromaticContact NE2-CZ3 3.34Å; H82-W273 VanDerWaalsContact NE2-CZ3 3.34Å; H82-W273 WeakPolarHBondContact NE2-CZ3 3.24Å
83	I	98.7	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.9	166.6	-63.4	178.7	0	0	0	108.5	G7 I9 I72 L75 A215 L220 S221 Y222 A223	G7-I83 CarbonylContact O-C 3.56Å; G7-I83 VanDerWaalsContact O-CA 3.3Å; G7-I83 WeakPolarHBondContact O-CA 3.49Å; I9-I83 HydrophobicContact CD1-CD1 4.5Å; I9-I83 HydrophobicContact CD1-CG2 3.77Å; I9-I83 HydrophobicContact CG1-CG2 3.92Å; I72-I83 HydrophobicContact CD1-CD1 3.52Å; L75-I83 HydrophobicContact CB-CD1 4.34Å; L75-I83 HydrophobicContact CD1-CD1 3.74Å; L75-I83 HydrophobicContact CD1-CG1 4.08Å; I83-A215 HydrophobicContact CD1-CB 4.34Å; I83-L220 HydrophobicContact CD1-CD1 3.52Å; I83-L220 HydrophobicContact CG1-CD1 4.07Å; I83-S221 PolarHBondContact N-O 2.68Å; I83-Y222 HydrophobicContact CB-CD2 3.78Å; I83-Y222 HydrophobicContact CB-CE2 4.44Å; I83-Y222 HydrophobicContact CG2-CD2 3.6Å; I83-Y222 HydrophobicContact CG2-CE2 3.74Å; I83-Y222 WeakPolarHBondContact O-CA 3.24Å; I83-A223 PolarHBondContact O-N 2.99Å
84	L	98.4	Very high	97.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.4	167.2	-57.3	180	0	0	0	108.6	V6 G7 I8 I9 T142 L146 A223 L261 A264 V265 I268	V6-L84 HydrophobicContact CG1-CD1 4.01Å; V6-L84 HydrophobicContact CG1-CG 3.93Å; G7-L84 PolarHBondContact O-N 2.74Å; I8-L84 VanDerWaalsContact CA-O 3.29Å; I8-L84 WeakPolarHBondContact CA-O 3.25Å; I9-L84 PolarHBondContact N-O 3.43Å; L84-T142 HydrophobicContact CD2-CG2 3.52Å; L84-L146 HydrophobicContact CD1-CD2 4.48Å; L84-L146 HydrophobicContact CD2-CD1 4.36Å; L84-L146 HydrophobicContact CD2-CD2 4.26Å; L84-L146 HydrophobicContact CD2-CG 4.33Å; L84-A223 HydrophobicContact CD2-CB 4.38Å; L84-L261 HydrophobicContact CB-CD2 3.82Å; L84-L261 HydrophobicContact CD1-CD2 4.02Å; L84-A264 HydrophobicContact CD1-CB 3.89Å; L84-V265 HydrophobicContact CD1-CG2 4.16Å; L84-I268 HydrophobicContact CD1-CD1 4.18Å; L84-I268 HydrophobicContact CD2-CD1 4.3Å; L84-I268 HydrophobicContact CG-CD1 4.43Å
85	A	97.7	Very high	96.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.4	-177.9	0	0	0	0	0	111.6	I9 E211 Y222 A223 S224 I225	I9-A85 WeakPolarHBondContact O-CA 3.44Å; A85-E211 WeakPolarHBondContact CB-OE1 3.22Å; A85-Y222 HydrophobicContact CB-CE2 3.74Å; A85-Y222 WeakPolarHBondContact CB-OH 3.26Å; A85-A223 PolarHBondContact N-O 3.22Å; A85-S224 WeakPolarHBondContact O-CA 3.42Å; A85-I225 PolarHBondContact O-N 3.21Å
86	T	96.3	Very high	96.5	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139	168.2	67.1	0	0	0	0	110.4	I9 F14 R54 I225 V257 L261	I9-T86 PolarHBondContact O-N 3.27Å; F14-T86 HydrophobicContact CE2-CG2 3.72Å; F14-T86 HydrophobicContact CZ-CG2 3.67Å; R54-T86 PolarHBondContact NH1-O 3.38Å; R54-T86 PolarHBondContact NH2-O 3.28Å; T86-I225 WeakPolarHBondContact CA-O 3.38Å; T86-I225 HydrophobicContact CG2-CG2 4.06Å; T86-V257 HydrophobicContact CG2-CG1 3.6Å; T86-L261 HydrophobicContact CG2-CD1 3.56Å; T86-L261 HydrophobicContact CG2-CG 4.48Å
87	N	93.3	Very high	96.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	175.5	-54.3	106	0	0	0	109.9	R54 T207 S224 I225 A226 I227	R54-N87 PolarHBondContact NH2-ND2 3.33Å; N87-T207 PolarHBondContact ND2-OG1 3.42Å; N87-S224 PolarHBondContact OD1-OG 3.32Å; N87-I225 PolarHBondContact N-O 3.17Å; N87-A226 CarbonylContact O-C 3.57Å; N87-A226 VanDerWaalsContact O-CA 3.27Å; N87-A226 WeakPolarHBondContact O-CA 3.47Å; N87-I227 PolarHBondContact O-N 3.3Å
88	A	94.8	Very high	96.2	Very high	36 Å²	36	25.4 Å²	25.4	30%	0.298	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136	167	0	0	0	0	0	109	T229 V246 F250	A88-T229 HydrophobicContact CB-CG2 4.12Å; A88-V246 HydrophobicContact CB-CG1 4.31Å; A88-F250 HydrophobicContact CB-CD2 4.06Å; A88-F250 HydrophobicContact CB-CE2 4.4Å
89	C	97	Very high	96.2	Very high	2 Å²	2	24 Å²	24	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.4	-173.5	-58.2	0	0	0	0	111.2	L203 I204 N205 A226 I227 V228 T229	C89-L203 HydrophobicContact CB-CB 4.17Å; C89-L203 HydrophobicContact CB-CD1 4.19Å; C89-L203 HydrophobicContact CB-CD2 4.49Å; C89-I204 CarbonylContact C-O 3.6Å; C89-I204 WeakPolarHBondContact CA-O 3.26Å; C89-I204 WeakPolarHBondContact CB-O 3.45Å; C89-N205 HydrophobicContact CB-CB 4.35Å; C89-N205 VanDerWaalsContact SG-CB 3.54Å; C89-A226 HydrophobicContact CB-CB 4.4Å; C89-A226 VanDerWaalsContact SG-CB 3.55Å; C89-I227 PolarHBondContact N-O 2.97Å; C89-V228 WeakPolarHBondContact O-CA 3.34Å; C89-T229 PolarHBondContact O-N 3.38Å; C89-T229 PolarHBondContact O-OG1 3.14Å
90	G	97.7	Very high	96.2	Very high	6 Å²	6	22 Å²	22	6%	0.062	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.6	162.9	0	0	0	0	0	110.4	L203 I204 D230	G90-L203 CarbonylContact O-C 3.49Å; G90-L203 WeakPolarHBondContact O-CA 3.4Å; G90-I204 PolarHBondContact N-O 2.96Å; G90-I204 WeakPolarHBondContact O-CG2 3.3Å; G90-I204 PolarHBondContact O-N 3.3Å; G90-D230 WeakPolarHBondContact CA-OD1 3.46Å
91	S	97.6	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.9	174.4	177.1	0	0	0	0	112	Q93 K96 D230 F231 W234	S91-Q93 PolarHBondContact OG-N 3.06Å; S91-Q93 VanDerWaalsContact OG-N 3.16Å; S91-Q93 PolarHBondContact OG-O 3.28Å; S91-K96 WeakPolarHBondContact CB-O 3.3Å; S91-K96 PolarHBondContact OG-O 3.27Å; S91-D230 WeakPolarHBondContact CB-O 3.44Å; S91-D230 PolarHBondContact N-O 3.4Å; S91-F231 CarbonylContact O-C 3.24Å; S91-F231 VanDerWaalsContact O-C 3.24Å; S91-F231 WeakPolarHBondContact O-CA 3.18Å; S91-W234 PolarHBondContact O-NE1 3.43Å
92	L	97.5	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.			trans	-99.9	2.9	172.7	-62.6	174.8	0	0	0	112.2	I180 F196 Q197 F201 D202 I204 D232	L92-I180 HydrophobicContact CD1-CG2 3.97Å; L92-F196 HydrophobicContact CD1-CB 3.69Å; L92-Q197 WeakPolarHBondContact O-CG 3.39Å; L92-Q197 PolarHBondContact O-NE2 3.05Å; L92-F201 WeakPolarHBondContact CB-O 3.48Å; L92-F201 HydrophobicContact CD1-CB 3.82Å; L92-D202 PolarHBondContact N-O 3.17Å; L92-I204 HydrophobicContact CD1-CB 4.25Å; L92-I204 HydrophobicContact CD2-CG2 4.19Å; L92-I204 HydrophobicContact CG-CB 4.38Å; L92-I204 HydrophobicContact CG-CG2 4.28Å; L92-D232 HydrophobicContact CD2-CB 4.29Å
93	Q	94.1	Very high	96.1	Very high	47 Å²	47	21 Å²	21	22%	0.22	11%	0.11	C	C	.	.	S	Bend	trans	-131	148.5	-174.2	-57.1	-62.4	-25.5	0	0	112.1	S91 D95 F201	S91-Q93 PolarHBondContact OG-N 3.06Å; S91-Q93 VanDerWaalsContact OG-N 3.16Å; S91-Q93 PolarHBondContact OG-O 3.28Å; Q93-D95 VanDerWaalsContact C-N 3.28Å; Q93-D95 WeakPolarHBondContact CB-OD1 3.29Å; Q93-D95 PolarHBondContact O-N 3.25Å; Q93-F201 PolarHBondContact NE2-O 3.39Å
94	K	92	Very high	96.1	Very high	163 Å²	163	21 Å²	21	71%	0.709	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.4	-177.2	-73.9	177.6	-178.6	-176.4	0	113.7	W234	K94-W234 HydrophobicContact CG-CH2 3.55Å; K94-W234 HydrophobicContact CG-CZ2 4.43Å; K94-W234 HydrophobicContact CG-CZ3 4.33Å
95	D	91.4	Very high	96.1	Very high	53 Å²	53	22.9 Å²	22.9	28%	0.283	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.4	-171	68.4	-40.9	0	0	0	113.9	Q93 R158 H170 H174	Q93-D95 VanDerWaalsContact C-N 3.28Å; Q93-D95 WeakPolarHBondContact CB-OD1 3.29Å; Q93-D95 PolarHBondContact O-N 3.25Å; D95-R158 PolarHBondContact O-NH1 3.42Å; D95-H170 PolarHBondContact O-CE1 3.24Å; D95-H174 PolarHBondContact O-CE1 3.18Å; D95-H174 VanDerWaalsContact O-CE1 3.27Å
96	K	93.8	Very high	96.2	Very high	14 Å²	14	25.8 Å²	25.8	6%	0.061	13%	0.134	C	C	.	.	S	Bend	trans	-108.1	98.5	175.9	-69.2	172	-177	79.1	0	108.4	S91 V102 D202 L203 F231	S91-K96 WeakPolarHBondContact CB-O 3.3Å; S91-K96 PolarHBondContact OG-O 3.27Å; K96-V102 HydrophobicContact CD-CG2 4.28Å; K96-D202 HydrophobicContact CD-CB 3.75Å; K96-D202 VanDerWaalsContact CE-OD1 3.24Å; K96-D202 WeakPolarHBondContact CE-OD1 3.46Å; K96-D202 IonicContact NZ-OD1 3.51Å; K96-D202 PolarHBondContact NZ-OD1 3.32Å; K96-L203 HydrophobicContact CD-CD2 4.29Å; K96-F231 WeakPolarHBondContact O-CE1 3.32Å
97	K	94.4	Very high	96.3	Very high	57 Å²	57	27.8 Å²	27.8	25%	0.248	14%	0.142	C	C	.	.			trans	-99.3	155.2	-168.9	-59.2	-172.9	-176.9	166.5	0	112	G99 D100 I167 H170 V228 F231	K97-G99 PolarHBondContact O-N 2.63Å; K97-D100 PolarHBondContact N-OD2 3.09Å; K97-D100 WeakPolarHBondContact O-CB 3.38Å; K97-D100 PolarHBondContact O-N 3.36Å; K97-I167 PolarHBondContact NZ-O 3.49Å; K97-H170 WeakPolarHBondContact CE-NE2 3.12Å; K97-H170 PolarHBondContact NZ-CD2 2.94Å; K97-H170 PolarHBondContact NZ-NE2 2.89Å; K97-V228 VanDerWaalsContact C-CG1 3.5Å; K97-V228 WeakPolarHBondContact O-CB 3.34Å; K97-V228 WeakPolarHBondContact O-CG1 3.18Å; K97-F231 HydrophobicContact CB-CZ 4.17Å; K97-F231 HydrophobicContact CG-CZ 4.05Å
98	P	95.5	Very high	96.5	Very high	45 Å²	45	32.2 Å²	32.2	29%	0.292	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	126.1	166.4	-30.2	36.8	0	0	0	111.7	V228 F231 Q249	P98-V228 CarbonylContact C-O 3.55Å; P98-V228 WeakPolarHBondContact CA-O 3.4Å; P98-F231 HydrophobicContact CG-CD2 4.07Å; P98-F231 HydrophobicContact CG-CE2 3.91Å; P98-F231 HydrophobicContact CG-CZ 4.41Å; P98-Q249 HydrophobicContact CB-CG 4.08Å
99	G	96	Very high	96.7	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-18.4	-173.6	0	0	0	0	0	115.3	K97 P171 V228	K97-G99 PolarHBondContact O-N 2.63Å; G99-P171 VanDerWaalsContact O-CB 3.31Å; G99-P171 WeakPolarHBondContact O-CB 3.43Å; G99-V228 PolarHBondContact N-O 3.33Å
100	D	97	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.			trans	-71.1	162	170.4	-71.3	-17.1	0	0	0	111.8	K97 H170 P171 C172 H174 V228	K97-D100 PolarHBondContact N-OD2 3.09Å; K97-D100 WeakPolarHBondContact O-CB 3.38Å; K97-D100 PolarHBondContact O-N 3.36Å; D100-H170 IonicContact OD1-CE1 2.82Å; D100-H170 IonicContact OD1-CG 3.88Å; D100-H170 IonicContact OD1-ND1 3.17Å; D100-H170 PolarHBondContact OD1-ND1 3.01Å; D100-H170 IonicContact OD2-CE1 2.86Å; D100-H170 PolarHBondContact OD2-CE1 2.97Å; D100-H170 IonicContact OD2-ND1 3.08Å; D100-H170 PolarHBondContact OD2-ND1 3.32Å; D100-P171 WeakPolarHBondContact OD1-CA 3.45Å; D100-C172 WeakPolarHBondContact CA-O 3.46Å; D100-C172 PolarHBondContact OD1-N 3.08Å; D100-C172 PolarHBondContact OD1-SG 3.04Å; D100-H174 IonicContact OD2-CD2 2.71Å; D100-H174 IonicContact OD2-NE2 3.93Å; D100-H174 PolarHBondContact OD2-NE2 3.42Å; D100-H174 VanDerWaalsContact OD2-NE2 3.08Å; D100-V228 HydrophobicContact CB-CB 4.46Å; D100-V228 HydrophobicContact CB-CG2 4.2Å; D100-V228 PolarHBondContact O-N 2.78Å
101	F	98	Very high	96.8	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.1	172.8	-47.7	-71.1	0	0	0	110.8	C172 V173 H174 I225 A226 I227 Q256 V257 I260	F101-C172 PolarHBondContact N-O 3.42Å; F101-V173 HydrophobicContact CB-CG1 4.49Å; F101-V173 HydrophobicContact CB-CG2 4.18Å; F101-V173 HydrophobicContact CD2-CG2 3.92Å; F101-V173 HydrophobicContact CG-CG2 4.49Å; F101-V173 CarbonylContact O-C 3.57Å; F101-V173 WeakPolarHBondContact O-CA 3.33Å; F101-H174 PolarHBondContact O-CD2 3.31Å; F101-H174 PolarHBondContact O-N 3.23Å; F101-I225 HydrophobicContact CB-CD1 4Å; F101-I225 HydrophobicContact CB-CG1 4.03Å; F101-I225 HydrophobicContact CG-CD1 4.45Å; F101-A226 CarbonylContact C-O 3.57Å; F101-A226 WeakPolarHBondContact CA-O 3.4Å; F101-I227 HydrophobicContact CD1-CG1 4.04Å; F101-I227 HydrophobicContact CE1-CG1 4.12Å; F101-I227 HydrophobicContact CE1-CG2 4.3Å; F101-Q256 HydrophobicContact CE2-CB 4.11Å; F101-Q256 HydrophobicContact CE2-CG 3.7Å; F101-Q256 HydrophobicContact CZ-CB 3.81Å; F101-Q256 HydrophobicContact CZ-CG 3.95Å; F101-V257 HydrophobicContact CD1-CG2 3.4Å; F101-V257 VanDerWaalsContact CD1-CG2 3.4Å; F101-V257 HydrophobicContact CE1-CG2 3.11Å; F101-V257 HydrophobicContact CG-CG2 4.38Å; F101-V257 HydrophobicContact CZ-CG2 3.9Å; F101-I260 HydrophobicContact CD2-CD1 4.36Å
102	V	98.2	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.7	177.3	-172.6	0	0	0	0	109.9	K96 L104 H174 E176 L203 I225 A226 V228	K96-V102 HydrophobicContact CD-CG2 4.28Å; V102-L104 HydrophobicContact CB-CD2 4.4Å; V102-L104 HydrophobicContact CG1-CD2 4.06Å; V102-L104 PolarHBondContact O-N 2.89Å; V102-H174 HydrophobicContact CB-CB 4.29Å; V102-H174 HydrophobicContact CG1-CB 4.06Å; V102-H174 HydrophobicContact CG2-CB 3.99Å; V102-E176 WeakPolarHBondContact CG1-O 3.43Å; V102-L203 HydrophobicContact CB-CD1 3.78Å; V102-L203 HydrophobicContact CG1-CD1 4.19Å; V102-L203 HydrophobicContact CG2-CD1 3.69Å; V102-L203 HydrophobicContact CG2-CD2 4.4Å; V102-L203 HydrophobicContact CG2-CG 4.41Å; V102-I225 WeakPolarHBondContact O-CA 3.48Å; V102-A226 HydrophobicContact CB-CB 4.26Å; V102-A226 PolarHBondContact N-O 3.33Å; V102-A226 PolarHBondContact O-N 3.03Å; V102-V228 HydrophobicContact CG2-CG2 4.13Å
103	V	98.7	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	96.6	171.6	-177.6	0	0	0	0	108.2	R143 L146 I147 V173 H174	V103-R143 HydrophobicContact CG1-CB 3.93Å; V103-R143 HydrophobicContact CG1-CG 4.19Å; V103-R143 PolarHBondContact O-NH2 3.34Å; V103-L146 HydrophobicContact CG1-CB 4.31Å; V103-L146 HydrophobicContact CG1-CD1 4.25Å; V103-L146 HydrophobicContact CG2-CB 4.08Å; V103-I147 HydrophobicContact CB-CG1 4.18Å; V103-I147 HydrophobicContact CG1-CG1 4.29Å; V103-I147 HydrophobicContact CG2-CG1 3.97Å; V103-V173 HydrophobicContact CG2-CG1 3.96Å; V103-H174 PolarHBondContact N-O 3.32Å
104	L	98.6	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.			trans	-61.2	140.9	-170.6	-59.1	177.5	0	0	0	111.8	V102 F138 R143 V179 L203 L208 S224 A226	V102-L104 HydrophobicContact CB-CD2 4.4Å; V102-L104 HydrophobicContact CG1-CD2 4.06Å; V102-L104 PolarHBondContact O-N 2.89Å; L104-F138 HydrophobicContact CB-CE1 4.08Å; L104-F138 HydrophobicContact CB-CE2 4.05Å; L104-F138 HydrophobicContact CB-CZ 3.56Å; L104-F138 HydrophobicContact CD1-CZ 4.41Å; L104-R143 WeakPolarHBondContact O-CD 3.48Å; L104-R143 PolarHBondContact O-NE 3.33Å; L104-V179 HydrophobicContact CD1-CB 4.39Å; L104-V179 HydrophobicContact CD1-CG1 3.79Å; L104-V179 HydrophobicContact CD2-CB 4.22Å; L104-V179 HydrophobicContact CD2-CG1 4.33Å; L104-L203 HydrophobicContact CD2-CD1 3.85Å; L104-L208 HydrophobicContact CD1-CD1 4.43Å; L104-L208 HydrophobicContact CD1-CD2 4.06Å; L104-S224 PolarHBondContact N-O 2.97Å; L104-A226 HydrophobicContact CD1-CB 4.36Å; L104-A226 HydrophobicContact CD2-CB 4.13Å; L104-A226 HydrophobicContact CG-CB 4.24Å
105	N	98.7	Very high	97	Very high	41 Å²	41	47.1 Å²	47.1	22%	0.219	23%	0.233	C	C	.	.			trans	-123	-16.6	172.1	66.3	-35	0	0	0	113.5	P137 F138 G177	N105-P137 WeakPolarHBondContact O-CD 3.45Å; N105-F138 VanDerWaalsContact C-CD2 3.47Å; N105-F138 VanDerWaalsContact C-CE2 3.44Å; N105-F138 WeakPolarHBondContact O-CD2 3.29Å; N105-G177 PolarHBondContact N-O 3.19Å; N105-G177 VanDerWaalsContact N-O 3.1Å; N105-G177 PolarHBondContact OD1-N 2.89Å; N105-G177 PolarHBondContact OD1-O 3.44Å
106	Q	98.7	Very high	97.3	Very high	63 Å²	63	48.1 Å²	48.1	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.9	-176.5	-75.2	-63	-25.7	0	0	111.1	A135 G177 S178 V179	Q106-A135 PolarHBondContact NE2-O 2.58Å; Q106-G177 PolarHBondContact N-O 2.8Å; Q106-S178 WeakPolarHBondContact O-CA 3.3Å; Q106-V179 PolarHBondContact O-N 3.47Å
107	F	98.7	Very high	97.6	Very high	44 Å²	44	49.4 Å²	49.4	19%	0.193	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162	172.4	71.6	-99.1	0	0	0	112.6	D109 M134 P137 V179 L208 V209 V212	F107-D109 HydrophobicContact CD2-CB 4.44Å; F107-D109 HydrophobicContact CE2-CB 4.16Å; F107-M134 HydrophobicContact CE1-CE 3.65Å; F107-M134 HydrophobicContact CZ-CE 3.72Å; F107-P137 HydrophobicContact CD1-CB 3.98Å; F107-P137 HydrophobicContact CD1-CG 3.6Å; F107-P137 HydrophobicContact CE1-CB 3.45Å; F107-P137 VanDerWaalsContact CE1-CB 3.45Å; F107-P137 HydrophobicContact CE1-CG 3.6Å; F107-P137 HydrophobicContact CZ-CB 4.49Å; F107-V179 CarbonylContact C-O 3.43Å; F107-V179 WeakPolarHBondContact CA-O 3.23Å; F107-V179 HydrophobicContact CB-CG1 3.92Å; F107-V179 WeakPolarHBondContact CB-O 3.49Å; F107-L208 HydrophobicContact CB-CD2 3.61Å; F107-L208 HydrophobicContact CD1-CD2 4.21Å; F107-L208 HydrophobicContact CG-CD2 4.12Å; F107-V209 HydrophobicContact CD2-CG2 3.42Å; F107-V209 VanDerWaalsContact CD2-CG2 3.42Å; F107-V209 HydrophobicContact CE2-CG2 3.54Å; F107-V209 HydrophobicContact CG-CG2 3.99Å; F107-V209 HydrophobicContact CZ-CG2 4.15Å; F107-V212 HydrophobicContact CD1-CG1 3.92Å; F107-V212 HydrophobicContact CE1-CG1 3.53Å; F107-V212 HydrophobicContact CZ-CG1 4.12Å
108	Y	98.7	Very high	97.8	Very high	95 Å²	95	46.8 Å²	46.8	37%	0.373	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.3	164.4	-176.6	-85.8	0	0	0	109.4	N110 V179 I180 T181 W199 F201	Y108-N110 HydrophobicContact CD1-CB 4.21Å; Y108-N110 HydrophobicContact CE1-CB 4.07Å; Y108-V179 PolarHBondContact N-O 3.16Å; Y108-I180 HydrophobicContact CD1-CD1 3.72Å; Y108-I180 HydrophobicContact CD1-CG1 3.94Å; Y108-I180 HydrophobicContact CE1-CD1 4.21Å; Y108-I180 WeakPolarHBondContact O-CA 3.48Å; Y108-T181 PolarHBondContact O-N 2.88Å; Y108-W199 HydrophobicContact CE1-CZ3 4.37Å; Y108-W199 HydrophobicContact CE2-CZ3 4.47Å; Y108-F201 HydrophobicContact CD1-CE2 4.41Å; Y108-F201 HydrophobicContact CD1-CZ 4.13Å; Y108-F201 HydrophobicContact CD2-CE1 4.27Å; Y108-F201 AromaticContact CD2-CZ 3.65Å; Y108-F201 HydrophobicContact CD2-CZ 3.65Å; Y108-F201 HydrophobicContact CE2-CZ 4.45Å; Y108-F201 HydrophobicContact CG-CE1 4.08Å; Y108-F201 HydrophobicContact CG-CE2 4.14Å; Y108-F201 AromaticContact CG-CZ 3.44Å; Y108-F201 HydrophobicContact CG-CZ 3.44Å; Y108-F201 VanDerWaalsContact CG-CZ 3.44Å
109	D	98.6	Very high	97.9	Very high	60 Å²	60	46.1 Å²	46.1	32%	0.321	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.9	179.6	-175.7	11.6	0	0	0	110.6	F107 T111 V209	F107-D109 HydrophobicContact CD2-CB 4.44Å; F107-D109 HydrophobicContact CE2-CB 4.16Å; D109-T111 VanDerWaalsContact OD1-CB 3.23Å; D109-T111 WeakPolarHBondContact OD1-CB 3.48Å; D109-T111 VanDerWaalsContact OD1-CG2 3.3Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.13Å; D109-T111 PolarHBondContact OD1-OG1 3.46Å; D109-V209 HydrophobicContact CB-CG1 4.13Å; D109-V209 HydrophobicContact CB-CG2 4.42Å; D109-V209 WeakPolarHBondContact OD2-CG1 3.4Å
110	N	98.2	Very high	97.9	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	27.8	170	-164.1	37.5	0	0	0	110.6	Y108 I180 T181	Y108-N110 HydrophobicContact CD1-CB 4.21Å; Y108-N110 HydrophobicContact CE1-CB 4.07Å; N110-I180 HydrophobicContact CB-CD1 4.04Å; N110-I180 HydrophobicContact CB-CG1 4.09Å; N110-T181 CarbonylContact C-O 3.54Å; N110-T181 VanDerWaalsContact C-O 3.23Å; N110-T181 VanDerWaalsContact CA-O 3.3Å; N110-T181 WeakPolarHBondContact CA-O 3.39Å; N110-T181 WeakPolarHBondContact CB-O 3.37Å; N110-T181 PolarHBondContact N-O 2.95Å
111	T	98.4	Very high	97.8	Very high	18 Å²	18	52 Å²	52	11%	0.11	27%	0.271	C	S	.	.			trans	-83.5	157.8	176.6	71.4	0	0	0	0	111.1	D109 T181 V209	D109-T111 VanDerWaalsContact OD1-CB 3.23Å; D109-T111 WeakPolarHBondContact OD1-CB 3.48Å; D109-T111 VanDerWaalsContact OD1-CG2 3.3Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.13Å; D109-T111 PolarHBondContact OD1-OG1 3.46Å; T111-T181 HydrophobicContact CG2-CG2 3.48Å; T111-T181 VanDerWaalsContact CG2-CG2 3.48Å; T111-T181 PolarHBondContact N-O 3.06Å; T111-V209 HydrophobicContact CG2-CB 4.2Å
112	Q	97.3	Very high	97.4	Very high	122 Å²	122	53.2 Å²	53.2	57%	0.57	29%	0.285	S	S	*	.			trans	-141.9	144	-178.1	-64.4	-176.1	-30.4	0	0	109.9	R114 N183	Q112-R114 VanDerWaalsContact C-N 3.27Å; Q112-R114 PolarHBondContact O-N 3.31Å; Q112-N183 PolarHBondContact N-OD1 3.21Å; Q112-N183 PolarHBondContact O-ND2 3.27Å; Q112-N183 PolarHBondContact O-OD1 2.63Å
113	N	94.9	Very high	97.1	Very high	165 Å²	165	59.7 Å²	59.7	88%	0.882	33%	0.327	S	S	*	.	S	Bend	trans	57.9	32.4	173.5	-51.9	-43.1	0	0	0	114.6
114	R	96.9	Very high	96.7	Very high	24 Å²	24	61.9 Å²	61.9	9%	0.091	35%	0.349	C	S	.	.			trans	-104.5	148.9	172.2	-58.1	179.5	-172.5	-164.7	-6.1	109.8	Q112 L116 N183 M206 V209	Q112-R114 VanDerWaalsContact C-N 3.27Å; Q112-R114 PolarHBondContact O-N 3.31Å; R114-L116 HydrophobicContact CB-CD2 3.86Å; R114-L116 WeakPolarHBondContact O-CG 3.23Å; R114-L116 PolarHBondContact O-N 3.3Å; R114-L116 VanDerWaalsContact O-N 3.15Å; R114-N183 PolarHBondContact NE-OD1 2.88Å; R114-N183 PolarHBondContact NH2-O 3.37Å; R114-N183 PolarHBondContact NH2-OD1 2.78Å; R114-M206 PolarHBondContact NH1-O 2.87Å; R114-M206 PolarHBondContact NH2-O 3.21Å; R114-V209 PolarHBondContact NH1-O 2.81Å
115	E	97.3	Very high	96.6	Very high	118 Å²	118	63.3 Å²	63.3	55%	0.551	36%	0.359	S	S	*	.			trans	-74.2	99.8	171.2	-67.8	-68	162.8	0	0	110	R69	R69-E115 HydrophobicContact CG-CB 4.16Å; R69-E115 IonicContact CZ-OE2 3.52Å; R69-E115 IonicContact NH1-OE2 2.68Å; R69-E115 IonicContact NH2-OE2 3.43Å
116	L	97.2	Very high	96.6	Very high	73 Å²	73	63.7 Å²	63.7	38%	0.382	36%	0.361	S	S	.	.			trans	-87.4	-14.5	-170	-52.9	-179	0	0	0	114.8	R114 P210 L214	R114-L116 HydrophobicContact CB-CD2 3.86Å; R114-L116 WeakPolarHBondContact O-CG 3.23Å; R114-L116 PolarHBondContact O-N 3.3Å; R114-L116 VanDerWaalsContact O-N 3.15Å; L116-P210 HydrophobicContact CB-CB 4.26Å; L116-P210 HydrophobicContact CD2-CB 3.63Å; L116-P210 HydrophobicContact CD2-CG 3.88Å; L116-L214 WeakPolarHBondContact O-CD2 3.49Å
117	T	98.5	Very high	96.5	Very high	42 Å²	42	67.7 Å²	67.7	26%	0.258	38%	0.377	S	S	.	.			trans	-140.9	152.6	-173.2	-176.2	0	0	0	0	112.4	R69 Y119 E217	R69-T117 WeakPolarHBondContact CD-O 3.03Å; R69-T117 PolarHBondContact NH1-O 2.99Å; T117-Y119 VanDerWaalsContact CG2-O 3.24Å; T117-Y119 WeakPolarHBondContact CG2-O 3.5Å; T117-Y119 PolarHBondContact OG1-N 3.4Å; T117-Y119 VanDerWaalsContact OG1-N 3.16Å; T117-E217 WeakPolarHBondContact CA-OE2 3.36Å; T117-E217 WeakPolarHBondContact CB-OE1 3.26Å; T117-E217 PolarHBondContact OG1-OE1 3.33Å; T117-E217 PolarHBondContact OG1-OE2 3.33Å
118	F	98.7	Very high	96.4	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	38%	0.375	C	S	.	.	S	Bend	trans	-78.5	-19.2	169.5	-62.3	-60.8	0	0	0	113.3	F32 R69 I72 W73 S125 L126 L214 E217 A218	F32-F118 HydrophobicContact CD1-CD1 4.27Å; F32-F118 AromaticContact CD2-CD1 3.81Å; F32-F118 HydrophobicContact CD2-CD1 3.81Å; F32-F118 AromaticContact CD2-CE1 3.9Å; F32-F118 HydrophobicContact CD2-CE1 3.9Å; F32-F118 HydrophobicContact CE1-CB 4.27Å; F32-F118 AromaticContact CE1-CD1 3.85Å; F32-F118 HydrophobicContact CE1-CD1 3.85Å; F32-F118 AromaticContact CE2-CD1 3.36Å; F32-F118 HydrophobicContact CE2-CD1 3.36Å; F32-F118 AromaticContact CE2-CE1 3.75Å; F32-F118 HydrophobicContact CE2-CE1 3.75Å; F32-F118 HydrophobicContact CE2-CG 4.29Å; F32-F118 HydrophobicContact CG-CD1 4.25Å; F32-F118 HydrophobicContact CZ-CB 3.9Å; F32-F118 AromaticContact CZ-CD1 3.37Å; F32-F118 HydrophobicContact CZ-CD1 3.37Å; F32-F118 HydrophobicContact CZ-CE1 4.23Å; F32-F118 HydrophobicContact CZ-CG 4.01Å; R69-F118 HydrophobicContact CB-CD1 4.06Å; R69-F118 HydrophobicContact CB-CE1 3.69Å; R69-F118 HydrophobicContact CG-CD1 4.12Å; R69-F118 HydrophobicContact CG-CE1 4.06Å; R69-F118 WeakPolarHBondContact O-CE1 3.46Å; I72-F118 HydrophobicContact CB-CZ 4.04Å; I72-F118 HydrophobicContact CG2-CE2 4.23Å; I72-F118 HydrophobicContact CG2-CZ 3.83Å; W73-F118 HydrophobicContact CB-CE1 4.18Å; W73-F118 HydrophobicContact CB-CZ 4.47Å; W73-F118 HydrophobicContact CE3-CD1 4.12Å; W73-F118 AromaticContact CE3-CE1 3.95Å; W73-F118 HydrophobicContact CE3-CE1 3.95Å; W73-F118 HydrophobicContact CE3-CE2 4.37Å; W73-F118 HydrophobicContact CE3-CG 4.37Å; W73-F118 HydrophobicContact CE3-CZ 4.09Å; W73-F118 HydrophobicContact CZ3-CG 4.46Å; F118-S125 CarbonylContact O-C 3.57Å; F118-S125 WeakPolarHBondContact O-CA 3.48Å; F118-L126 HydrophobicContact CB-CD1 4.05Å; F118-L126 HydrophobicContact CB-CG 4.45Å; F118-L126 PolarHBondContact O-N 3.31Å; F118-L214 HydrophobicContact CD1-CD2 4.13Å; F118-L214 HydrophobicContact CD2-CD2 3.89Å; F118-L214 HydrophobicContact CE1-CD2 4.03Å; F118-L214 HydrophobicContact CE2-CB 4.02Å; F118-L214 HydrophobicContact CE2-CD2 3.76Å; F118-L214 WeakPolarHBondContact CE2-O 3.47Å; F118-L214 HydrophobicContact CG-CD2 4.08Å; F118-L214 HydrophobicContact CZ-CB 4.05Å; F118-L214 HydrophobicContact CZ-CD2 3.85Å; F118-L214 HydrophobicContact CZ-CG 4.47Å; F118-E217 HydrophobicContact CD2-CB 3.75Å; F118-E217 WeakPolarHBondContact CD2-OE2 3.31Å; F118-E217 HydrophobicContact CE2-CB 4.13Å; F118-E217 PolarHBondContact N-OE2 3.47Å; F118-A218 HydrophobicContact CE2-CB 4.05Å
119	Y	98.5	Very high	96.3	Very high	32 Å²	32	64.7 Å²	64.7	13%	0.125	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.2	-167.9	-69.1	-95	0	0	0	113.1	T117 L126 L130	T117-Y119 VanDerWaalsContact CG2-O 3.24Å; T117-Y119 WeakPolarHBondContact CG2-O 3.5Å; T117-Y119 PolarHBondContact OG1-N 3.4Å; T117-Y119 VanDerWaalsContact OG1-N 3.16Å; Y119-L126 CarbonylContact C-O 3.56Å; Y119-L126 VanDerWaalsContact CA-O 3.31Å; Y119-L126 WeakPolarHBondContact CA-O 3.45Å; Y119-L126 HydrophobicContact CD1-CB 3.78Å; Y119-L126 HydrophobicContact CE1-CB 3.85Å; Y119-L126 HydrophobicContact CE1-CD1 4.12Å; Y119-L126 HydrophobicContact CE2-CD1 4.15Å; Y119-L126 HydrophobicContact CG-CB 4.29Å; Y119-L130 HydrophobicContact CD2-CB 3.74Å; Y119-L130 HydrophobicContact CD2-CD2 3.51Å; Y119-L130 HydrophobicContact CD2-CG 4.2Å; Y119-L130 HydrophobicContact CE2-CB 4.35Å; Y119-L130 HydrophobicContact CE2-CD2 3.54Å; Y119-L130 HydrophobicContact CE2-CG 4.41Å; Y119-L130 HydrophobicContact CG-CB 3.81Å; Y119-L130 HydrophobicContact CG-CD2 4.42Å
120	G	96.9	Very high	96.3	Very high	20 Å²	20	62.6 Å²	62.6	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-178.6	173.3	0	0	0	0	0	113.5	L126 G128	G120-L126 PolarHBondContact N-O 2.99Å; G120-G128 PolarHBondContact N-O 3.1Å
121	S	94.7	Very high	96.3	Very high	110 Å²	110	65.7 Å²	65.7	77%	0.769	38%	0.376	S	S	*	.	S	Bend	trans	-85.6	-25.6	175.5	58.7	0	0	0	0	113	K127	S121-K127 PolarHBondContact O-NZ 3.28Å
122	G	89.8	Confident	96.3	Very high	30 Å²	30	66.2 Å²	66.2	31%	0.309	38%	0.378	S	S	.	.	S	Bend	trans	-70.1	163.6	-174.6	0	0	0	0	0	114.9
123	P	90.4	Very high	96.3	Very high	136 Å²	136	63.7 Å²	63.7	88%	0.883	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	145.4	172	28.4	-34.1	0	0	0	110.8	S125	P123-S125 VanDerWaalsContact C-N 3.28Å; P123-S125 PolarHBondContact O-N 3.17Å
124	G	91.2	Very high	96.5	Very high	46 Å²	46	58.2 Å²	58.2	47%	0.474	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-1.1	-179.6	0	0	0	0	0	115.4	F32	F32-G124 WeakPolarHBondContact CD1-O 3.37Å; F32-G124 WeakPolarHBondContact CE1-O 3.36Å
125	S	97	Very high	96.6	Very high	30 Å²	30	60.8 Å²	60.8	21%	0.21	37%	0.368	C	S	.	.	S	Bend	trans	-107.6	152.5	171.4	-63	0	0	0	0	111.6	R69 F118 P123	R69-S125 PolarHBondContact NH1-OG 2.87Å; F118-S125 CarbonylContact O-C 3.57Å; F118-S125 WeakPolarHBondContact O-CA 3.48Å; P123-S125 VanDerWaalsContact C-N 3.28Å; P123-S125 PolarHBondContact O-N 3.17Å
126	L	97.8	Very high	96.6	Very high	48 Å²	48	60.7 Å²	60.7	25%	0.251	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.4	166.5	-56.6	178.2	0	0	0	109	F32 W73 F118 Y119 G120 G128	F32-L126 HydrophobicContact CE1-CG 4.48Å; F32-L126 HydrophobicContact CZ-CD1 4.27Å; F32-L126 HydrophobicContact CZ-CD2 4.22Å; F32-L126 HydrophobicContact CZ-CG 3.91Å; W73-L126 HydrophobicContact CH2-CD1 3.71Å; W73-L126 HydrophobicContact CH2-CD2 4.48Å; W73-L126 HydrophobicContact CZ3-CD1 3.81Å; F118-L126 HydrophobicContact CB-CD1 4.05Å; F118-L126 HydrophobicContact CB-CG 4.45Å; F118-L126 PolarHBondContact O-N 3.31Å; Y119-L126 CarbonylContact C-O 3.56Å; Y119-L126 VanDerWaalsContact CA-O 3.31Å; Y119-L126 WeakPolarHBondContact CA-O 3.45Å; Y119-L126 HydrophobicContact CD1-CB 3.78Å; Y119-L126 HydrophobicContact CE1-CB 3.85Å; Y119-L126 HydrophobicContact CE1-CD1 4.12Å; Y119-L126 HydrophobicContact CE2-CD1 4.15Å; Y119-L126 HydrophobicContact CG-CB 4.29Å; G120-L126 PolarHBondContact N-O 2.99Å; L126-G128 PolarHBondContact O-N 3.49Å
127	K	96.5	Very high	96.7	Very high	147 Å²	147	57.3 Å²	57.3	64%	0.639	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	127	178.5	-66.9	-64.8	-177.4	-179.5	0	110.5	S121 R288	S121-K127 PolarHBondContact O-NZ 3.28Å; K127-R288 PolarHBondContact O-NH2 3.4Å; K127-R288 VanDerWaalsContact O-NH2 3.09Å
128	G	96	Very high	96.7	Very high	13 Å²	13	55.8 Å²	55.8	13%	0.134	34%	0.343	C	S	.	.	S	Bend	trans	145	175.7	174.8	0	0	0	0	0	112.3	G120 L126 D290	G120-G128 PolarHBondContact N-O 3.1Å; L126-G128 PolarHBondContact O-N 3.49Å; G128-D290 WeakPolarHBondContact CA-OD1 3.27Å; G128-D290 WeakPolarHBondContact CA-OD2 3.39Å
129	V	97.4	Very high	96.7	Very high	64 Å²	64	56.5 Å²	56.5	39%	0.388	35%	0.349	S	S	.	.			trans	-121.9	112.4	172.6	-179.4	0	0	0	0	107	H131 Q289 D290	V129-H131 WeakPolarHBondContact CG1-NE2 3.38Å; V129-Q289 HydrophobicContact CB-CB 4.35Å; V129-Q289 HydrophobicContact CG1-CB 4.28Å; V129-Q289 PolarHBondContact O-N 2.99Å; V129-D290 PolarHBondContact N-OD1 2.9Å
130	L	98.2	Very high	96.7	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.079	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-110.6	119.6	-178.6	-171.4	76.7	0	0	0	109.6	Y119 M132 E217 V284 R288	Y119-L130 HydrophobicContact CD2-CB 3.74Å; Y119-L130 HydrophobicContact CD2-CD2 3.51Å; Y119-L130 HydrophobicContact CD2-CG 4.2Å; Y119-L130 HydrophobicContact CE2-CB 4.35Å; Y119-L130 HydrophobicContact CE2-CD2 3.54Å; Y119-L130 HydrophobicContact CE2-CG 4.41Å; Y119-L130 HydrophobicContact CG-CB 3.81Å; Y119-L130 HydrophobicContact CG-CD2 4.42Å; L130-M132 HydrophobicContact CD1-SD 3.86Å; L130-M132 HydrophobicContact CD2-CG 3.76Å; L130-M132 HydrophobicContact CD2-SD 3.74Å; L130-M132 HydrophobicContact CG-CG 3.96Å; L130-M132 HydrophobicContact CG-SD 3.8Å; L130-E217 HydrophobicContact CD2-CB 3.88Å; L130-E217 HydrophobicContact CD2-CG 3.57Å; L130-V284 HydrophobicContact CD1-CG1 4.25Å; L130-V284 VanDerWaalsContact CD1-O 3.26Å; L130-V284 WeakPolarHBondContact CD1-O 3.43Å; L130-R288 HydrophobicContact CD1-CG 3.82Å
131	H	98.2	Very high	96.8	Very high	125 Å²	125	63.6 Å²	63.6	58%	0.579	38%	0.378	S	S	*	.			trans	-116.3	86.5	175.8	-72.6	-52.7	0	0	0	110	V129 S287 Q289	V129-H131 WeakPolarHBondContact CG1-NE2 3.38Å; H131-S287 PolarHBondContact N-O 3.46Å; H131-S287 WeakPolarHBondContact O-CB 3.36Å; H131-Q289 PolarHBondContact CD2-OE1 3.44Å; H131-Q289 PolarHBondContact NE2-OE1 2.99Å
132	M	98.5	Very high	97	Very high	29 Å²	29	58.4 Å²	58.4	14%	0.143	34%	0.341	C	S	.	.			trans	-72.5	132.5	-177.3	-67	-55.3	-75.8	0	0	112.2	L130 M134 R216 E217 L283 V284 S287	L130-M132 HydrophobicContact CD1-SD 3.86Å; L130-M132 HydrophobicContact CD2-CG 3.76Å; L130-M132 HydrophobicContact CD2-SD 3.74Å; L130-M132 HydrophobicContact CG-CG 3.96Å; L130-M132 HydrophobicContact CG-SD 3.8Å; M132-M134 PolarHBondContact O-N 2.96Å; M132-R216 HydrophobicContact CE-CG 3.44Å; M132-R216 VanDerWaalsContact CE-CG 3.44Å; M132-E217 HydrophobicContact CG-CG 3.78Å; M132-L283 HydrophobicContact CE-CD2 3.99Å; M132-L283 HydrophobicContact CE-CG 3.83Å; M132-V284 HydrophobicContact CE-CG2 3.92Å; M132-V284 HydrophobicContact SD-CG2 4.49Å; M132-S287 WeakPolarHBondContact SD-CB 3.37Å; M132-S287 PolarHBondContact SD-OG 3.34Å
133	P	98.5	Very high	97.5	Very high	69 Å²	69	57.5 Å²	57.5	45%	0.448	33%	0.328	S	S	.	.			trans	-63	128.5	163.3	-22.2	34.1	0	0	0	111.2	R216 L283 S287	P133-R216 WeakPolarHBondContact O-CD 3.48Å; P133-R216 PolarHBondContact O-NH1 3.31Å; P133-L283 HydrophobicContact CG-CD1 4.12Å; P133-S287 VanDerWaalsContact CD-OG 3.3Å; P133-S287 WeakPolarHBondContact CD-OG 3.35Å
134	M	98.7	Very high	97.8	Very high	51 Å²	51	55.2 Å²	55.2	25%	0.251	31%	0.306	S	S	.	.			trans	-126.1	16.2	-176.9	-71.6	-64.8	-78.4	0	0	113.7	F107 M132 D136 P137 S213 R216	F107-M134 HydrophobicContact CE1-CE 3.65Å; F107-M134 HydrophobicContact CZ-CE 3.72Å; M132-M134 PolarHBondContact O-N 2.96Å; M134-D136 PolarHBondContact O-N 2.83Å; M134-P137 HydrophobicContact CE-CB 3.46Å; M134-P137 VanDerWaalsContact CE-CB 3.46Å; M134-P137 WeakPolarHBondContact O-CD 3.45Å; M134-P137 HydrophobicContact SD-CB 4.17Å; M134-S213 WeakPolarHBondContact CE-OG 3.47Å; M134-R216 HydrophobicContact SD-CB 4.47Å; M134-R216 VanDerWaalsContact SD-CD 3.57Å; M134-R216 HydrophobicContact SD-CG 4.45Å
135	A	98.4	Very high	98.2	Very high	78 Å²	78	53.7 Å²	53.7	65%	0.645	29%	0.287	S	S	*	.	S	Bend	trans	-53.5	-49.3	-177.8	0	0	0	0	0	112.6	Q106	Q106-A135 PolarHBondContact NE2-O 2.58Å
136	D	98.5	Very high	98.3	Very high	115 Å²	115	52.3 Å²	52.3	62%	0.615	28%	0.277	S	S	*	.	S	Bend	trans	-116.7	95.5	167.4	-61.2	-68.8	0	0	0	107.2	M134 F138 R216	M134-D136 PolarHBondContact O-N 2.83Å; D136-F138 VanDerWaalsContact C-N 3.32Å; D136-F138 PolarHBondContact O-N 2.94Å; D136-R216 PolarHBondContact O-NH1 3.19Å; D136-R216 PolarHBondContact O-NH2 3.33Å
137	P	98.7	Very high	98.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.013	27%	0.266	C	S	.	.			trans	-78.5	-10.3	-160.8	25.7	-32.9	0	0	0	115.6	N105 F107 M134 V212 R216	N105-P137 WeakPolarHBondContact O-CD 3.45Å; F107-P137 HydrophobicContact CD1-CB 3.98Å; F107-P137 HydrophobicContact CD1-CG 3.6Å; F107-P137 HydrophobicContact CE1-CB 3.45Å; F107-P137 VanDerWaalsContact CE1-CB 3.45Å; F107-P137 HydrophobicContact CE1-CG 3.6Å; F107-P137 HydrophobicContact CZ-CB 4.49Å; M134-P137 HydrophobicContact CE-CB 3.46Å; M134-P137 VanDerWaalsContact CE-CB 3.46Å; M134-P137 WeakPolarHBondContact O-CD 3.45Å; M134-P137 HydrophobicContact SD-CB 4.17Å; P137-V212 HydrophobicContact CB-CG2 4.25Å; P137-V212 WeakPolarHBondContact O-CG2 3.43Å; P137-R216 VanDerWaalsContact O-CZ 3.32Å; P137-R216 PolarHBondContact O-NH2 3.5Å
138	F	98.8	Very high	98.4	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.044	26%	0.259	C	S	.	.	S	Bend	trans	-102.4	164.7	-179.2	-61.2	-91	0	0	0	111.6	L104 N105 D136 E140 R143 L208 V212 R216 Y222	L104-F138 HydrophobicContact CB-CE1 4.08Å; L104-F138 HydrophobicContact CB-CE2 4.05Å; L104-F138 HydrophobicContact CB-CZ 3.56Å; L104-F138 HydrophobicContact CD1-CZ 4.41Å; N105-F138 VanDerWaalsContact C-CD2 3.47Å; N105-F138 VanDerWaalsContact C-CE2 3.44Å; N105-F138 WeakPolarHBondContact O-CD2 3.29Å; D136-F138 VanDerWaalsContact C-N 3.32Å; D136-F138 PolarHBondContact O-N 2.94Å; F138-E140 PolarHBondContact O-N 3.18Å; F138-R143 HydrophobicContact CB-CG 4.03Å; F138-L208 HydrophobicContact CE1-CD1 3.95Å; F138-L208 HydrophobicContact CZ-CD1 4.02Å; F138-L208 HydrophobicContact CZ-CD2 3.86Å; F138-V212 HydrophobicContact CD1-CG2 4.04Å; F138-V212 HydrophobicContact CE1-CG2 3.96Å; F138-V212 HydrophobicContact CG-CG2 4.47Å; F138-V212 HydrophobicContact CZ-CG2 4.29Å; F138-R216 PolarHBondContact O-NH2 3.01Å; F138-Y222 AromaticContact CD1-CD1 3.79Å; F138-Y222 HydrophobicContact CD1-CD1 3.79Å; F138-Y222 HydrophobicContact CD1-CE1 4.04Å; F138-Y222 HydrophobicContact CE1-CD1 4.05Å; F138-Y222 AromaticContact CE1-CE1 3.81Å; F138-Y222 HydrophobicContact CE1-CE1 3.81Å
139	C	98.8	Very high	98.5	Very high	17 Å²	17	47.9 Å²	47.9	12%	0.115	25%	0.253	C	S	.	.			trans	-80.1	107.7	169	175.6	0	0	0	0	109.7	E141 T142 R143 Y222	C139-E141 VanDerWaalsContact C-N 3.33Å; C139-E141 PolarHBondContact O-N 3.42Å; C139-T142 PolarHBondContact O-N 3Å; C139-T142 PolarHBondContact SG-OG1 3.49Å; C139-R143 WeakPolarHBondContact O-CG 3.3Å; C139-R143 PolarHBondContact O-N 2.84Å; C139-Y222 PolarHBondContact N-O 3.34Å
140	E	98.7	Very high	98.6	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	23%	0.234	S	C	.	.	H	α-helix	trans	-58.7	-42.2	-175.1	-180	53.8	-157	0	0	113	F138 T142 R143 Q144	F138-E140 PolarHBondContact O-N 3.18Å; E140-T142 VanDerWaalsContact C-N 3.26Å; E140-T142 PolarHBondContact O-N 3.39Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 2.74Å; E140-R143 VanDerWaalsContact O-N 3.17Å; E140-R143 IonicContact OE1-NH1 3.66Å; E140-R143 PolarHBondContact OE1-NH1 2.87Å; E140-R143 IonicContact OE2-CZ 2.9Å; E140-R143 IonicContact OE2-NE 3.57Å; E140-R143 IonicContact OE2-NH1 3.12Å; E140-R143 PolarHBondContact OE2-NH1 2.62Å; E140-Q144 WeakPolarHBondContact O-CG 3.46Å; E140-Q144 PolarHBondContact O-N 3.45Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.46Å; E140-Q144 PolarHBondContact OE1-NE2 2.99Å
141	E	98.6	Very high	98.6	Very high	104 Å²	104	49.9 Å²	49.9	49%	0.486	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-39.8	176.2	-66	-176.8	-96.7	0	0	111.8	C139 Q144 V145 W273 T276	C139-E141 VanDerWaalsContact C-N 3.33Å; C139-E141 PolarHBondContact O-N 3.42Å; E141-Q144 PolarHBondContact O-N 3.3Å; E141-V145 WeakPolarHBondContact O-CG2 3.5Å; E141-V145 PolarHBondContact O-N 3.22Å; E141-V145 VanDerWaalsContact O-N 3.11Å; E141-W273 HydrophobicContact CB-CH2 3.86Å; E141-W273 HydrophobicContact CB-CZ3 3.62Å; E141-T276 WeakPolarHBondContact OE1-CB 3.41Å; E141-T276 WeakPolarHBondContact OE1-CG2 3.41Å; E141-T276 PolarHBondContact OE1-OG1 3.45Å
142	T	98.8	Very high	98.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.2	-35.7	178.3	-54	0	0	0	0	111.8	H82 L84 C139 E140 Q144 V145 L146 A223 I268	H82-T142 PolarHBondContact CD2-OG1 2.98Å; L84-T142 HydrophobicContact CD2-CG2 3.52Å; C139-T142 PolarHBondContact O-N 3Å; C139-T142 PolarHBondContact SG-OG1 3.49Å; E140-T142 VanDerWaalsContact C-N 3.26Å; E140-T142 PolarHBondContact O-N 3.39Å; T142-Q144 VanDerWaalsContact C-N 3.35Å; T142-V145 WeakPolarHBondContact O-CB 3.25Å; T142-V145 PolarHBondContact O-N 3.35Å; T142-L146 PolarHBondContact O-N 2.98Å; T142-L146 VanDerWaalsContact O-N 3.15Å; T142-A223 HydrophobicContact CG2-CB 3.67Å; T142-I268 HydrophobicContact CG2-CD1 4.4Å
143	R	98.8	Very high	98.5	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-46.2	171.9	-66.9	-178.7	66.6	-101.8	-10.3	111.4	V103 L104 F138 C139 E140 V145 L146 I147 T175 A223	V103-R143 HydrophobicContact CG1-CB 3.93Å; V103-R143 HydrophobicContact CG1-CG 4.19Å; V103-R143 PolarHBondContact O-NH2 3.34Å; L104-R143 WeakPolarHBondContact O-CD 3.48Å; L104-R143 PolarHBondContact O-NE 3.33Å; F138-R143 HydrophobicContact CB-CG 4.03Å; C139-R143 WeakPolarHBondContact O-CG 3.3Å; C139-R143 PolarHBondContact O-N 2.84Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 2.74Å; E140-R143 VanDerWaalsContact O-N 3.17Å; E140-R143 IonicContact OE1-NH1 3.66Å; E140-R143 PolarHBondContact OE1-NH1 2.87Å; E140-R143 IonicContact OE2-CZ 2.9Å; E140-R143 IonicContact OE2-NE 3.57Å; E140-R143 IonicContact OE2-NH1 3.12Å; E140-R143 PolarHBondContact OE2-NH1 2.62Å; R143-V145 PolarHBondContact O-N 3.19Å; R143-L146 WeakPolarHBondContact O-CB 3.35Å; R143-L146 PolarHBondContact O-N 3.47Å; R143-L146 VanDerWaalsContact O-N 3.09Å; R143-I147 WeakPolarHBondContact O-CG1 3.5Å; R143-I147 PolarHBondContact O-N 3.3Å; R143-I147 VanDerWaalsContact O-N 3.07Å; R143-T175 PolarHBondContact NH2-O 2.88Å; R143-A223 HydrophobicContact CG-CB 4.16Å
144	Q	98.7	Very high	98.4	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-31.5	177.3	-66.9	-56.4	-33.8	0	0	112.2	E140 E141 T142 I147 K148	E140-Q144 WeakPolarHBondContact O-CG 3.46Å; E140-Q144 PolarHBondContact O-N 3.45Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.46Å; E140-Q144 PolarHBondContact OE1-NE2 2.99Å; E141-Q144 PolarHBondContact O-N 3.3Å; T142-Q144 VanDerWaalsContact C-N 3.35Å; Q144-I147 PolarHBondContact O-N 2.87Å; Q144-K148 VanDerWaalsContact O-CB 3.26Å; Q144-K148 WeakPolarHBondContact O-CB 3.34Å; Q144-K148 PolarHBondContact O-N 3.43Å
145	V	98.7	Very high	98.3	Very high	14 Å²	14	50.3 Å²	50.3	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-42.6	171.6	172.5	0	0	0	0	112.1	E141 T142 R143 K148 A149 A264 L267 I268 W273	E141-V145 WeakPolarHBondContact O-CG2 3.5Å; E141-V145 PolarHBondContact O-N 3.22Å; E141-V145 VanDerWaalsContact O-N 3.11Å; T142-V145 WeakPolarHBondContact O-CB 3.25Å; T142-V145 PolarHBondContact O-N 3.35Å; R143-V145 PolarHBondContact O-N 3.19Å; V145-K148 PolarHBondContact O-N 3.34Å; V145-A149 WeakPolarHBondContact O-CB 3.43Å; V145-A149 PolarHBondContact O-N 3.36Å; V145-A264 HydrophobicContact CG1-CB 3.99Å; V145-A264 WeakPolarHBondContact CG1-O 3.21Å; V145-L267 HydrophobicContact CG1-CB 3.66Å; V145-L267 HydrophobicContact CG1-CD1 4.24Å; V145-I268 HydrophobicContact CG1-CG1 3.98Å; V145-W273 HydrophobicContact CG2-CH2 4.31Å; V145-W273 HydrophobicContact CG2-CZ2 4.13Å
146	L	98.7	Very high	98.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-43.4	175.6	-72.1	168	0	0	0	111.9	L84 V103 T142 R143 K148 A149 A150 A223 I225 I260 L261 A264	L84-L146 HydrophobicContact CD1-CD2 4.48Å; L84-L146 HydrophobicContact CD2-CD1 4.36Å; L84-L146 HydrophobicContact CD2-CD2 4.26Å; L84-L146 HydrophobicContact CD2-CG 4.33Å; V103-L146 HydrophobicContact CG1-CB 4.31Å; V103-L146 HydrophobicContact CG1-CD1 4.25Å; V103-L146 HydrophobicContact CG2-CB 4.08Å; T142-L146 PolarHBondContact O-N 2.98Å; T142-L146 VanDerWaalsContact O-N 3.15Å; R143-L146 WeakPolarHBondContact O-CB 3.35Å; R143-L146 PolarHBondContact O-N 3.47Å; R143-L146 VanDerWaalsContact O-N 3.09Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.48Å; L146-A149 WeakPolarHBondContact O-CB 3.36Å; L146-A149 PolarHBondContact O-N 3.5Å; L146-A150 PolarHBondContact O-N 3.07Å; L146-A223 HydrophobicContact CD1-CB 3.63Å; L146-I225 HydrophobicContact CD1-CB 4.48Å; L146-I260 HydrophobicContact CD2-CG2 4.18Å; L146-L261 HydrophobicContact CD2-CD2 3.92Å; L146-A264 HydrophobicContact CD2-CB 3.78Å
147	I	98.6	Very high	98	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-42.9	176.7	-63.6	164.8	0	0	0	110.4	V103 R143 Q144 A150 K151 T175	V103-I147 HydrophobicContact CB-CG1 4.18Å; V103-I147 HydrophobicContact CG1-CG1 4.29Å; V103-I147 HydrophobicContact CG2-CG1 3.97Å; R143-I147 WeakPolarHBondContact O-CG1 3.5Å; R143-I147 PolarHBondContact O-N 3.3Å; R143-I147 VanDerWaalsContact O-N 3.07Å; Q144-I147 PolarHBondContact O-N 2.87Å; I147-A150 PolarHBondContact O-N 2.81Å; I147-K151 HydrophobicContact CG2-CD 4.49Å; I147-K151 WeakPolarHBondContact O-CG 2.88Å; I147-K151 PolarHBondContact O-N 2.73Å; I147-T175 HydrophobicContact CD1-CG2 4.18Å; I147-T175 HydrophobicContact CG1-CG2 4.37Å; I147-T175 HydrophobicContact CG2-CG2 4.02Å
148	K	98.5	Very high	97.7	Very high	113 Å²	113	46.2 Å²	46.2	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-38.6	176	-174.7	177.3	-179.9	179.4	0	112.1	Q144 V145 L146 K151 N152 L267	Q144-K148 VanDerWaalsContact O-CB 3.26Å; Q144-K148 WeakPolarHBondContact O-CB 3.34Å; Q144-K148 PolarHBondContact O-N 3.43Å; V145-K148 PolarHBondContact O-N 3.34Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.48Å; K148-K151 WeakPolarHBondContact O-CB 3.3Å; K148-K151 PolarHBondContact O-N 3.29Å; K148-N152 PolarHBondContact O-N 2.71Å; K148-N152 PolarHBondContact O-OD1 2.91Å; K148-L267 HydrophobicContact CB-CD1 4.17Å; K148-L267 HydrophobicContact CD-CD1 4.16Å; K148-L267 HydrophobicContact CD-CD2 4.38Å; K148-L267 HydrophobicContact CG-CD1 3.95Å
149	A	98.6	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.9	175.4	0	0	0	0	0	111.2	V145 L146 K151 N152 L153 I260 E263 A264 L267	V145-A149 WeakPolarHBondContact O-CB 3.43Å; V145-A149 PolarHBondContact O-N 3.36Å; L146-A149 WeakPolarHBondContact O-CB 3.36Å; L146-A149 PolarHBondContact O-N 3.5Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.89Å; A149-N152 PolarHBondContact O-N 2.98Å; A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.15Å; A149-I260 HydrophobicContact CB-CG2 4.2Å; A149-I260 WeakPolarHBondContact CB-O 3.42Å; A149-E263 HydrophobicContact CB-CB 4.01Å; A149-E263 HydrophobicContact CB-CG 3.88Å; A149-A264 HydrophobicContact CB-CB 3.95Å; A149-L267 HydrophobicContact CB-CD1 4.07Å
150	A	98.3	Very high	96.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-42.7	173.7	0	0	0	0	0	112.7	L146 I147 L153 S154 L155 I157 V173	L146-A150 PolarHBondContact O-N 3.07Å; I147-A150 PolarHBondContact O-N 2.81Å; A150-L153 CarbonylContact O-C 3.57Å; A150-L153 PolarHBondContact O-N 3.27Å; A150-S154 PolarHBondContact O-N 3.43Å; A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 HydrophobicContact CB-CD1 4.14Å; A150-L155 WeakPolarHBondContact O-CB 3.34Å; A150-L155 PolarHBondContact O-N 3.13Å; A150-L155 VanDerWaalsContact O-N 3.11Å; A150-I157 HydrophobicContact CB-CD1 3.76Å; A150-V173 HydrophobicContact CB-CB 4.17Å; A150-V173 HydrophobicContact CB-CG1 4.24Å; A150-V173 HydrophobicContact CB-CG2 3.71Å
151	K	97.8	Very high	95.5	Very high	120 Å²	120	56.7 Å²	56.7	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.6	-72.8	174.5	179.9	178.5	0	112.4	I147 K148 A149 L153 S154 I157	I147-K151 HydrophobicContact CG2-CD 4.49Å; I147-K151 WeakPolarHBondContact O-CG 2.88Å; I147-K151 PolarHBondContact O-N 2.73Å; K148-K151 WeakPolarHBondContact O-CB 3.3Å; K148-K151 PolarHBondContact O-N 3.29Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.89Å; K151-L153 PolarHBondContact O-N 3.21Å; K151-S154 PolarHBondContact O-N 2.67Å; K151-I157 HydrophobicContact CD-CG1 4.4Å; K151-I157 HydrophobicContact CG-CD1 3.88Å; K151-I157 HydrophobicContact CG-CG1 3.56Å
152	N	98.2	Very high	94.4	Very high	76 Å²	76	54.3 Å²	54.3	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-27.2	177.7	-76.9	1.9	0	0	0	112.7	K148 A149 S154 E263	K148-N152 PolarHBondContact O-N 2.71Å; K148-N152 PolarHBondContact O-OD1 2.91Å; A149-N152 PolarHBondContact O-N 2.98Å; N152-S154 VanDerWaalsContact C-N 3.26Å; N152-E263 HydrophobicContact CB-CG 4.14Å; N152-E263 PolarHBondContact ND2-OE1 3.29Å
153	L	97.6	Very high	92.9	Very high	57 Å²	57	57.6 Å²	57.6	30%	0.298	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.8	175.5	-64.1	168.8	0	0	0	112.8	A149 A150 K151 L155 E259 I260 E263	A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.15Å; A150-L153 CarbonylContact O-C 3.57Å; A150-L153 PolarHBondContact O-N 3.27Å; K151-L153 PolarHBondContact O-N 3.21Å; L153-L155 HydrophobicContact CB-CD1 4.42Å; L153-L155 HydrophobicContact CB-CG 4.11Å; L153-L155 PolarHBondContact O-N 2.95Å; L153-E259 HydrophobicContact CD1-CB 3.81Å; L153-E259 HydrophobicContact CD2-CB 4.42Å; L153-I260 HydrophobicContact CD1-CB 4.38Å; L153-I260 HydrophobicContact CD1-CG1 3.87Å; L153-E263 HydrophobicContact CD1-CB 4.41Å
154	S	96.6	Very high	91.2	Very high	118 Å²	118	60.9 Å²	60.9	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	28.4	-180	-55.6	0	0	0	0	114.2	A150 K151 N152	A150-S154 PolarHBondContact O-N 3.43Å; K151-S154 PolarHBondContact O-N 2.67Å; N152-S154 VanDerWaalsContact C-N 3.26Å
155	L	95.9	Very high	89.3	Confident	32 Å²	32	62.8 Å²	62.8	17%	0.168	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-76.7	145.8	174.5	-58.6	178.7	0	0	0	110.9	A150 L153 I157 V173 Q256 I260	A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 HydrophobicContact CB-CD1 4.14Å; A150-L155 WeakPolarHBondContact O-CB 3.34Å; A150-L155 PolarHBondContact O-N 3.13Å; A150-L155 VanDerWaalsContact O-N 3.11Å; L153-L155 HydrophobicContact CB-CD1 4.42Å; L153-L155 HydrophobicContact CB-CG 4.11Å; L153-L155 PolarHBondContact O-N 2.95Å; L155-I157 PolarHBondContact O-N 3.19Å; L155-V173 HydrophobicContact CB-CG2 4.36Å; L155-V173 HydrophobicContact CD1-CG2 4.11Å; L155-Q256 HydrophobicContact CD1-CG 3.93Å; L155-Q256 VanDerWaalsContact CD2-CD 3.45Å; L155-Q256 HydrophobicContact CD2-CG 4.13Å; L155-I260 HydrophobicContact CD1-CD1 3.59Å; L155-I260 HydrophobicContact CD1-CG1 3.76Å
156	T	95.2	Very high	87.4	Confident	55 Å²	55	64.6 Å²	64.6	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.1	172.1	-56.2	0	0	0	0	109.6	N169 C172 V173	T156-N169 HydrophobicContact CG2-CB 3.81Å; T156-N169 WeakPolarHBondContact CG2-O 3.22Å; T156-C172 HydrophobicContact CG2-CB 3.89Å; T156-C172 CarbonylContact O-C 3.53Å; T156-C172 VanDerWaalsContact O-CA 3.31Å; T156-C172 WeakPolarHBondContact O-CA 3.2Å; T156-C172 WeakPolarHBondContact O-CB 3.34Å; T156-V173 PolarHBondContact O-N 3.02Å
157	I	95.3	Very high	85.5	Confident	42 Å²	42	69.9 Å²	69.9	22%	0.215	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.4	174.2	-54.1	-57	0	0	0	109.1	A150 K151 L155 V173 T175	A150-I157 HydrophobicContact CB-CD1 3.76Å; K151-I157 HydrophobicContact CD-CG1 4.4Å; K151-I157 HydrophobicContact CG-CD1 3.88Å; K151-I157 HydrophobicContact CG-CG1 3.56Å; L155-I157 PolarHBondContact O-N 3.19Å; I157-V173 WeakPolarHBondContact CA-O 3.33Å; I157-V173 HydrophobicContact CD1-CB 4.04Å; I157-T175 HydrophobicContact CG2-CG2 3.37Å
158	R	93.7	Very high	84	Confident	13 Å²	13	74.4 Å²	74.4	5%	0.049	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.4	170.7	-80	-167.1	153.3	-167.4	-16	110.6	D95 T166 C172 V173 H174 T175	D95-R158 PolarHBondContact O-NH1 3.42Å; R158-T166 PolarHBondContact NH2-O 3.22Å; R158-T166 PolarHBondContact NH2-OG1 3.16Å; R158-C172 VanDerWaalsContact CD-SG 3.58Å; R158-C172 HydrophobicContact CG-CB 4.21Å; R158-V173 PolarHBondContact N-O 3.38Å; R158-H174 CarbonylContact O-C 3.5Å; R158-H174 VanDerWaalsContact O-CA 3.25Å; R158-H174 WeakPolarHBondContact O-CA 3.39Å; R158-T175 PolarHBondContact O-N 3.48Å; R158-T175 PolarHBondContact O-OG1 3.22Å
159	D	90.1	Very high	83.3	Confident	67 Å²	67	72.8 Å²	72.8	36%	0.358	41%	0.413	S	S	.	.			trans	-117	174.6	170.4	64.3	37.6	0	0	0	110.5	T161 C162 T175	D159-T161 PolarHBondContact O-N 3.38Å; D159-T161 WeakPolarHBondContact OD1-CA 3.4Å; D159-T161 VanDerWaalsContact OD1-CB 3.32Å; D159-T161 WeakPolarHBondContact OD1-CB 3.35Å; D159-T161 PolarHBondContact OD1-N 3.01Å; D159-T161 PolarHBondContact OD1-OG1 3.05Å; D159-C162 PolarHBondContact N-SG 2.87Å; D159-C162 VanDerWaalsContact N-SG 3.4Å; D159-C162 VanDerWaalsContact O-CB 3.24Å; D159-C162 WeakPolarHBondContact O-CB 3.32Å; D159-C162 PolarHBondContact O-N 3.48Å; D159-C162 PolarHBondContact O-SG 2.97Å; D159-C162 PolarHBondContact OD1-N 2.86Å; D159-T175 WeakPolarHBondContact CA-OG1 3.46Å; D159-T175 HydrophobicContact CB-CG2 4.23Å; D159-T175 VanDerWaalsContact CB-OG1 3.28Å; D159-T175 WeakPolarHBondContact CB-OG1 3.49Å
160	K	79.5	Confident	82.9	Confident	162 Å²	162	75.1 Å²	75.1	70%	0.704	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.6	179.1	63.2	-179.4	172.1	-160.5	0	115.6	E176	K160-E176 WeakPolarHBondContact CB-OE1 3.5Å; K160-E176 WeakPolarHBondContact CD-OE1 3.46Å
161	T	79.2	Confident	82.7	Confident	115 Å²	115	78.9 Å²	78.9	71%	0.706	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.7	177.6	74.8	0	0	0	0	112.1	D159 S163	D159-T161 PolarHBondContact O-N 3.38Å; D159-T161 WeakPolarHBondContact OD1-CA 3.4Å; D159-T161 VanDerWaalsContact OD1-CB 3.32Å; D159-T161 WeakPolarHBondContact OD1-CB 3.35Å; D159-T161 PolarHBondContact OD1-N 3.01Å; D159-T161 PolarHBondContact OD1-OG1 3.05Å; T161-S163 PolarHBondContact O-N 3.48Å
162	C	75.2	Confident	82.6	Confident	54 Å²	54	73.2 Å²	73.2	37%	0.365	42%	0.424	S	S	.	.	S	Bend	trans	-68.9	127.4	175.3	-61.5	0	0	0	0	109.9	D159	D159-C162 PolarHBondContact N-SG 2.87Å; D159-C162 VanDerWaalsContact N-SG 3.4Å; D159-C162 VanDerWaalsContact O-CB 3.24Å; D159-C162 WeakPolarHBondContact O-CB 3.32Å; D159-C162 PolarHBondContact O-N 3.48Å; D159-C162 PolarHBondContact O-SG 2.97Å; D159-C162 PolarHBondContact OD1-N 2.86Å
163	S	68.4	Low	82.6	Confident	68 Å²	68	69.6 Å²	69.6	48%	0.476	41%	0.405	S	S	.	.			trans	-65.7	141.8	175	63.4	0	0	0	0	110.9	T161 D165 T166	T161-S163 PolarHBondContact O-N 3.48Å; S163-D165 PolarHBondContact O-N 3.16Å; S163-T166 PolarHBondContact O-N 2.75Å; S163-T166 PolarHBondContact O-OG1 3.23Å
164	S	62.4	Low	82.6	Confident	80 Å²	80	67.4 Å²	67.4	56%	0.559	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-28	175.6	52.5	0	0	0	0	113	T166	S164-T166 VanDerWaalsContact C-N 3.29Å; S164-T166 PolarHBondContact O-N 3.36Å
165	D	59.4	Low	82.6	Confident	128 Å²	128	62.8 Å²	62.8	68%	0.684	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.9	-170.1	-60.6	-11.7	0	0	0	113.6	S163 I167	S163-D165 PolarHBondContact O-N 3.16Å; D165-I167 PolarHBondContact O-N 3.39Å
166	T	58.2	Low	82.7	Confident	52 Å²	52	64.6 Å²	64.6	32%	0.319	37%	0.367	S	S	.	.			trans	-76.9	49.6	172.6	48.8	0	0	0	0	112.2	R158 S163 S164 S168	R158-T166 PolarHBondContact NH2-O 3.22Å; R158-T166 PolarHBondContact NH2-OG1 3.16Å; S163-T166 PolarHBondContact O-N 2.75Å; S163-T166 PolarHBondContact O-OG1 3.23Å; S164-T166 VanDerWaalsContact C-N 3.29Å; S164-T166 PolarHBondContact O-N 3.36Å; T166-S168 PolarHBondContact O-N 3.32Å
167	I	59	Low	82.8	Confident	112 Å²	112	62.1 Å²	62.1	57%	0.574	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.9	-175	-69.2	174.9	0	0	0	113.4	K97 D165 H170	K97-I167 PolarHBondContact NZ-O 3.49Å; D165-I167 PolarHBondContact O-N 3.39Å; I167-H170 PolarHBondContact O-CD2 3.34Å; I167-H170 VanDerWaalsContact O-CD2 3.24Å
168	S	67.3	Low	83	Confident	99 Å²	99	61.1 Å²	61.1	69%	0.692	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.7	-170.1	60.6	0	0	0	0	116.5	T166	T166-S168 PolarHBondContact O-N 3.32Å
169	N	83.5	Confident	83.2	Confident	78 Å²	78	60.5 Å²	60.5	42%	0.417	35%	0.347	S	S	.	.	S	Bend	trans	-108.3	42.7	-166.2	-60.4	-7.7	0	0	0	113.9	T156	T156-N169 HydrophobicContact CG2-CB 3.81Å; T156-N169 WeakPolarHBondContact CG2-O 3.22Å
170	H	90.3	Very high	83.6	Confident	49 Å²	49	57.3 Å²	57.3	23%	0.227	33%	0.33	C	S	.	.			trans	-99	152.8	173.2	-62.3	-92.2	0	0	0	111	D95 K97 D100 I167	D95-H170 PolarHBondContact O-CE1 3.24Å; K97-H170 WeakPolarHBondContact CE-NE2 3.12Å; K97-H170 PolarHBondContact NZ-CD2 2.94Å; K97-H170 PolarHBondContact NZ-NE2 2.89Å; D100-H170 IonicContact OD1-CE1 2.82Å; D100-H170 IonicContact OD1-CG 3.88Å; D100-H170 IonicContact OD1-ND1 3.17Å; D100-H170 PolarHBondContact OD1-ND1 3.01Å; D100-H170 IonicContact OD2-CE1 2.86Å; D100-H170 PolarHBondContact OD2-CE1 2.97Å; D100-H170 IonicContact OD2-ND1 3.08Å; D100-H170 PolarHBondContact OD2-ND1 3.32Å; I167-H170 PolarHBondContact O-CD2 3.34Å; I167-H170 VanDerWaalsContact O-CD2 3.24Å
171	P	94.2	Very high	84.5	Confident	79 Å²	79	49.6 Å²	49.6	51%	0.513	30%	0.297	S	S	.	.	S	Bend	cis	-69.5	152.4	-5.3	31	-35.8	0	0	0	112	G99 D100	G99-P171 VanDerWaalsContact O-CB 3.31Å; G99-P171 WeakPolarHBondContact O-CB 3.43Å; D100-P171 WeakPolarHBondContact OD1-CA 3.45Å
172	C	95.4	Very high	85.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.5	179.9	64.2	0	0	0	0	112.6	D100 F101 T156 R158 H174	D100-C172 WeakPolarHBondContact CA-O 3.46Å; D100-C172 PolarHBondContact OD1-N 3.08Å; D100-C172 PolarHBondContact OD1-SG 3.04Å; F101-C172 PolarHBondContact N-O 3.42Å; T156-C172 HydrophobicContact CG2-CB 3.89Å; T156-C172 CarbonylContact O-C 3.53Å; T156-C172 VanDerWaalsContact O-CA 3.31Å; T156-C172 WeakPolarHBondContact O-CA 3.2Å; T156-C172 WeakPolarHBondContact O-CB 3.34Å; R158-C172 VanDerWaalsContact CD-SG 3.58Å; R158-C172 HydrophobicContact CG-CB 4.21Å; C172-H174 PolarHBondContact SG-NE2 3.16Å; C172-H174 VanDerWaalsContact SG-NE2 3.4Å
173	V	97.8	Very high	86.5	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111	173.1	-175.8	0	0	0	0	109.1	F101 V103 A150 L155 T156 I157 R158 I260	F101-V173 HydrophobicContact CB-CG1 4.49Å; F101-V173 HydrophobicContact CB-CG2 4.18Å; F101-V173 HydrophobicContact CD2-CG2 3.92Å; F101-V173 HydrophobicContact CG-CG2 4.49Å; F101-V173 CarbonylContact O-C 3.57Å; F101-V173 WeakPolarHBondContact O-CA 3.33Å; V103-V173 HydrophobicContact CG2-CG1 3.96Å; A150-V173 HydrophobicContact CB-CB 4.17Å; A150-V173 HydrophobicContact CB-CG1 4.24Å; A150-V173 HydrophobicContact CB-CG2 3.71Å; L155-V173 HydrophobicContact CB-CG2 4.36Å; L155-V173 HydrophobicContact CD1-CG2 4.11Å; T156-V173 PolarHBondContact O-N 3.02Å; I157-V173 WeakPolarHBondContact CA-O 3.33Å; I157-V173 HydrophobicContact CD1-CB 4.04Å; R158-V173 PolarHBondContact N-O 3.38Å; V173-I260 HydrophobicContact CG2-CD1 4.27Å
174	H	97.5	Very high	87.9	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.8	171.9	-62.5	-102.6	0	0	0	109.8	D95 D100 F101 V102 V103 R158 C172 E176	D95-H174 PolarHBondContact O-CE1 3.18Å; D95-H174 VanDerWaalsContact O-CE1 3.27Å; D100-H174 IonicContact OD2-CD2 2.71Å; D100-H174 IonicContact OD2-NE2 3.93Å; D100-H174 PolarHBondContact OD2-NE2 3.42Å; D100-H174 VanDerWaalsContact OD2-NE2 3.08Å; F101-H174 PolarHBondContact O-CD2 3.31Å; F101-H174 PolarHBondContact O-N 3.23Å; V102-H174 HydrophobicContact CB-CB 4.29Å; V102-H174 HydrophobicContact CG1-CB 4.06Å; V102-H174 HydrophobicContact CG2-CB 3.99Å; V103-H174 PolarHBondContact N-O 3.32Å; R158-H174 CarbonylContact O-C 3.5Å; R158-H174 VanDerWaalsContact O-CA 3.25Å; R158-H174 WeakPolarHBondContact O-CA 3.39Å; C172-H174 PolarHBondContact SG-NE2 3.16Å; C172-H174 VanDerWaalsContact SG-NE2 3.4Å; H174-E176 VanDerWaalsContact C-N 3.3Å; H174-E176 PolarHBondContact O-N 3.02Å
175	T	97.7	Very high	89.5	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	24%	0.242	C	C	.	.	S	Bend	trans	-79.9	-9.8	-173.7	60.5	0	0	0	0	114.2	R143 I147 I157 R158 D159	R143-T175 PolarHBondContact NH2-O 2.88Å; I147-T175 HydrophobicContact CD1-CG2 4.18Å; I147-T175 HydrophobicContact CG1-CG2 4.37Å; I147-T175 HydrophobicContact CG2-CG2 4.02Å; I157-T175 HydrophobicContact CG2-CG2 3.37Å; R158-T175 PolarHBondContact O-N 3.48Å; R158-T175 PolarHBondContact O-OG1 3.22Å; D159-T175 WeakPolarHBondContact CA-OG1 3.46Å; D159-T175 HydrophobicContact CB-CG2 4.23Å; D159-T175 VanDerWaalsContact CB-OG1 3.28Å; D159-T175 WeakPolarHBondContact CB-OG1 3.49Å
176	E	97.9	Very high	91.3	Very high	69 Å²	69	41.8 Å²	41.8	32%	0.322	23%	0.234	S	C	.	.			trans	-152.8	159.3	177.9	57.1	-178.5	-137.4	0	0	109.8	V102 K160 H174	V102-E176 WeakPolarHBondContact CG1-O 3.43Å; K160-E176 WeakPolarHBondContact CB-OE1 3.5Å; K160-E176 WeakPolarHBondContact CD-OE1 3.46Å; H174-E176 VanDerWaalsContact C-N 3.3Å; H174-E176 PolarHBondContact O-N 3.02Å
177	G	97.5	Very high	93.2	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	23%	0.234	C	C	.	.			trans	171.4	145.1	178.1	0	0	0	0	0	112.2	N105 Q106 D202	N105-G177 PolarHBondContact N-O 3.19Å; N105-G177 VanDerWaalsContact N-O 3.1Å; N105-G177 PolarHBondContact OD1-N 2.89Å; N105-G177 PolarHBondContact OD1-O 3.44Å; Q106-G177 PolarHBondContact N-O 2.8Å; G177-D202 WeakPolarHBondContact CA-OD2 3.4Å
178	S	98.4	Very high	95.1	Very high	21 Å²	21	38 Å²	38	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.6	175.9	61.9	0	0	0	0	111	Q106 F201 D202 L203	Q106-S178 WeakPolarHBondContact O-CA 3.3Å; S178-F201 WeakPolarHBondContact OG-CA 3.3Å; S178-D202 PolarHBondContact N-OD2 3.32Å; S178-D202 VanDerWaalsContact O-CB 3.29Å; S178-D202 WeakPolarHBondContact O-CB 3.49Å; S178-D202 PolarHBondContact O-N 3.07Å; S178-D202 VanDerWaalsContact O-N 3.14Å; S178-D202 PolarHBondContact OG-N 2.96Å; S178-D202 VanDerWaalsContact OG-N 3.16Å; S178-D202 PolarHBondContact OG-OD2 3.18Å; S178-L203 PolarHBondContact O-N 3.14Å
179	V	98.5	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.6	175.4	64.8	0	0	0	0	111.5	L104 Q106 F107 Y108 L203 N205 L208	L104-V179 HydrophobicContact CD1-CB 4.39Å; L104-V179 HydrophobicContact CD1-CG1 3.79Å; L104-V179 HydrophobicContact CD2-CB 4.22Å; L104-V179 HydrophobicContact CD2-CG1 4.33Å; Q106-V179 PolarHBondContact O-N 3.47Å; F107-V179 CarbonylContact C-O 3.43Å; F107-V179 WeakPolarHBondContact CA-O 3.23Å; F107-V179 HydrophobicContact CB-CG1 3.92Å; F107-V179 WeakPolarHBondContact CB-O 3.49Å; Y108-V179 PolarHBondContact N-O 3.16Å; V179-L203 CarbonylContact C-O 3.23Å; V179-L203 WeakPolarHBondContact CA-O 3.43Å; V179-L203 HydrophobicContact CB-CB 4.14Å; V179-L203 HydrophobicContact CG2-CB 3.97Å; V179-N205 HydrophobicContact CG2-CB 3.96Å; V179-L208 HydrophobicContact CG1-CB 4.44Å; V179-L208 HydrophobicContact CG1-CD2 3.23Å; V179-L208 HydrophobicContact CG1-CG 4.43Å
180	I	98.7	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.8	162.8	177.9	160.3	0	0	0	109.6	L92 Y108 N110 I182 F196 F201 L203 I204 N205	L92-I180 HydrophobicContact CD1-CG2 3.97Å; Y108-I180 HydrophobicContact CD1-CD1 3.72Å; Y108-I180 HydrophobicContact CD1-CG1 3.94Å; Y108-I180 HydrophobicContact CE1-CD1 4.21Å; Y108-I180 WeakPolarHBondContact O-CA 3.48Å; N110-I180 HydrophobicContact CB-CD1 4.04Å; N110-I180 HydrophobicContact CB-CG1 4.09Å; I180-I182 HydrophobicContact CG1-CG2 4.21Å; I180-F196 HydrophobicContact CD1-CD1 3.47Å; I180-F196 VanDerWaalsContact CD1-CD1 3.47Å; I180-F196 HydrophobicContact CD1-CD2 4.14Å; I180-F196 HydrophobicContact CD1-CE1 3.34Å; I180-F196 HydrophobicContact CD1-CE2 4.02Å; I180-F196 HydrophobicContact CD1-CG 3.89Å; I180-F196 HydrophobicContact CD1-CZ 3.63Å; I180-F196 HydrophobicContact CG2-CB 4.3Å; I180-F196 HydrophobicContact CG2-CD2 4.13Å; I180-F196 HydrophobicContact CG2-CG 4.18Å; I180-F201 HydrophobicContact CB-CD2 3.83Å; I180-F201 HydrophobicContact CB-CE2 4.08Å; I180-F201 HydrophobicContact CB-CG 4.26Å; I180-F201 HydrophobicContact CD1-CD2 4.23Å; I180-F201 HydrophobicContact CD1-CE2 3.87Å; I180-F201 HydrophobicContact CG1-CE2 4.5Å; I180-F201 HydrophobicContact CG2-CB 4.41Å; I180-F201 HydrophobicContact CG2-CD2 3.96Å; I180-F201 HydrophobicContact CG2-CG 4.38Å; I180-L203 WeakPolarHBondContact CG2-O 3.42Å; I180-L203 PolarHBondContact N-O 3.43Å; I180-I204 HydrophobicContact CG2-CB 3.92Å; I180-I204 HydrophobicContact CG2-CD1 4.36Å; I180-I204 HydrophobicContact CG2-CG1 4.02Å; I180-I204 WeakPolarHBondContact O-CA 3.41Å; I180-N205 PolarHBondContact O-N 3.28Å
181	T	98.7	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.6	174.4	-52.4	0	0	0	0	109.3	Y108 N110 T111 N205 V209	Y108-T181 PolarHBondContact O-N 2.88Å; N110-T181 CarbonylContact C-O 3.54Å; N110-T181 VanDerWaalsContact C-O 3.23Å; N110-T181 VanDerWaalsContact CA-O 3.3Å; N110-T181 WeakPolarHBondContact CA-O 3.39Å; N110-T181 WeakPolarHBondContact CB-O 3.37Å; N110-T181 PolarHBondContact N-O 2.95Å; T111-T181 HydrophobicContact CG2-CG2 3.48Å; T111-T181 VanDerWaalsContact CG2-CG2 3.48Å; T111-T181 PolarHBondContact N-O 3.06Å; T181-N205 CarbonylContact C-O 3.56Å; T181-N205 WeakPolarHBondContact CA-O 3.42Å; T181-N205 WeakPolarHBondContact CG2-OD1 3.28Å; T181-N205 PolarHBondContact OG1-OD1 2.84Å; T181-N205 VanDerWaalsContact OG1-OD1 3.14Å; T181-V209 HydrophobicContact CG2-CB 4.12Å
182	I	98.5	Very high	97.8	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	159	173.3	66.3	166.2	0	0	0	110.9	I180 G184 F196 I204 N205 M206	I180-I182 HydrophobicContact CG1-CG2 4.21Å; I182-G184 PolarHBondContact O-N 2.65Å; I182-F196 HydrophobicContact CG2-CE2 3.98Å; I182-F196 HydrophobicContact CG2-CZ 4.3Å; I182-I204 HydrophobicContact CD1-CD1 4Å; I182-I204 HydrophobicContact CD1-CG1 4.43Å; I182-I204 HydrophobicContact CG1-CD1 4.29Å; I182-I204 HydrophobicContact CG1-CG1 4.3Å; I182-I204 HydrophobicContact CG2-CD1 3.8Å; I182-I204 HydrophobicContact CG2-CG1 4.16Å; I182-N205 WeakPolarHBondContact CG1-O 3.42Å; I182-N205 PolarHBondContact N-O 2.92Å; I182-M206 HydrophobicContact CD1-CE 4.02Å; I182-M206 HydrophobicContact CG1-CE 4.45Å; I182-M206 HydrophobicContact CG1-CG 3.96Å; I182-M206 WeakPolarHBondContact O-CA 3.41Å
183	N	98.1	Very high	97.9	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	21%	0.209	C	C	.	.			trans	-70.3	-30.2	-174.8	-156.4	51	0	0	0	114.6	Q112 R114	Q112-N183 PolarHBondContact N-OD1 3.21Å; Q112-N183 PolarHBondContact O-ND2 3.27Å; Q112-N183 PolarHBondContact O-OD1 2.63Å; R114-N183 PolarHBondContact NE-OD1 2.88Å; R114-N183 PolarHBondContact NH2-O 3.37Å; R114-N183 PolarHBondContact NH2-OD1 2.78Å
184	G	96.6	Very high	97.9	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	23%	0.229	C	C	.	.			trans	70.7	-175.1	-168.9	0	0	0	0	0	113	I182	I182-G184 PolarHBondContact O-N 2.65Å
185	P	96.1	Very high	97.9	Very high	83 Å²	83	46.8 Å²	46.8	54%	0.539	25%	0.245	S	C	.	.	S	Bend	cis	-83.5	-12.3	1.9	34.1	-36.6	0	0	0	114	L62	L62-P185 HydrophobicContact CD1-CB 4.28Å; L62-P185 HydrophobicContact CD1-CG 4.37Å; L62-P185 HydrophobicContact CD2-CB 4.04Å
186	R	98.2	Very high	97.9	Very high	135 Å²	135	46.2 Å²	46.2	51%	0.509	24%	0.24	S	C	.	.	S	Bend	trans	-68.7	148.1	176.4	66.5	169.5	-175.9	83.3	-3.3	111.2	E192 M206	R186-E192 IonicContact CZ-OE1 3.33Å; R186-E192 IonicContact CZ-OE2 3.87Å; R186-E192 IonicContact NH1-OE1 2.69Å; R186-E192 PolarHBondContact NH1-OE1 2.89Å; R186-E192 IonicContact NH1-OE2 3.96Å; R186-E192 PolarHBondContact NH1-OE2 3.45Å; R186-E192 IonicContact NH2-OE1 2.71Å; R186-E192 PolarHBondContact NH2-OE1 3.4Å; R186-E192 IonicContact NH2-OE2 3.72Å; R186-M206 WeakPolarHBondContact O-CE 3.46Å
187	F	98	Very high	97.8	Very high	73 Å²	73	45.3 Å²	45.3	32%	0.32	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-67.7	169.8	161.4	-63.3	-68.9	0	0	0	111	M206 V241 V243 V246	F187-M206 HydrophobicContact CD1-CE 3.91Å; F187-M206 HydrophobicContact CE1-CE 4.19Å; F187-V241 HydrophobicContact CB-CG1 3.78Å; F187-V241 HydrophobicContact CD1-CB 4.49Å; F187-V241 HydrophobicContact CD1-CG1 3.78Å; F187-V241 HydrophobicContact CD1-CG2 3.84Å; F187-V241 HydrophobicContact CD2-CG1 4.18Å; F187-V241 HydrophobicContact CD2-CG2 4.47Å; F187-V241 HydrophobicContact CE1-CG1 4.42Å; F187-V241 HydrophobicContact CE1-CG2 3.61Å; F187-V241 HydrophobicContact CE2-CG2 4.27Å; F187-V241 HydrophobicContact CG-CG1 3.65Å; F187-V241 HydrophobicContact CG-CG2 4.28Å; F187-V241 HydrophobicContact CZ-CG2 3.85Å; F187-V243 HydrophobicContact CE2-CG2 4.3Å; F187-V246 HydrophobicContact CZ-CG2 4.29Å
188	S	98.1	Very high	97.7	Very high	13 Å²	13	53.8 Å²	53.8	9%	0.091	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69	150.2	177.6	-77.7	0	0	0	0	112	E192 I204 C233	S188-E192 WeakPolarHBondContact CA-OE2 3.45Å; S188-I204 WeakPolarHBondContact OG-CD1 3.21Å; S188-C233 PolarHBondContact O-SG 3.35Å
189	T	98	Very high	97.7	Very high	72 Å²	72	59.1 Å²	59.1	44%	0.442	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-73.5	158.9	160.2	65.3	0	0	0	0	109.3	C191 E192 S193	T189-C191 PolarHBondContact O-N 3.04Å; T189-E192 PolarHBondContact N-OE2 2.91Å; T189-E192 WeakPolarHBondContact O-CB 3.46Å; T189-E192 PolarHBondContact O-N 3.04Å; T189-E192 VanDerWaalsContact O-N 3.08Å; T189-E192 WeakPolarHBondContact OG1-CG 3.36Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 2.94Å; T189-E192 VanDerWaalsContact OG1-OE2 3.09Å; T189-S193 PolarHBondContact O-N 2.66Å
190	R	97	Very high	97.6	Very high	132 Å²	132	61.1 Å²	61.1	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-34.3	174.4	-171	178.4	-38.7	115.4	8.9	112.9	S193 L194 C233	R190-S193 PolarHBondContact O-N 2.84Å; R190-L194 HydrophobicContact CG-CD1 3.91Å; R190-L194 HydrophobicContact CG-CG 4.21Å; R190-L194 WeakPolarHBondContact O-CB 3.38Å; R190-L194 VanDerWaalsContact O-CG 3.29Å; R190-L194 WeakPolarHBondContact O-CG 3.42Å; R190-L194 PolarHBondContact O-N 2.97Å; R190-C233 WeakPolarHBondContact CG-O 3.32Å; R190-C233 PolarHBondContact N-SG 2.91Å
191	C	97.8	Very high	97.6	Very high	99 Å²	99	62.3 Å²	62.3	67%	0.669	32%	0.315	S	S	*	.	H	α-helix	trans	-60.1	-48.6	175.8	-176	0	0	0	0	111.1	T189 L195	T189-C191 PolarHBondContact O-N 3.04Å; C191-L195 WeakPolarHBondContact O-CB 3.25Å; C191-L195 PolarHBondContact O-N 2.79Å
192	E	98.4	Very high	97.5	Very high	47 Å²	47	63.9 Å²	63.9	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-46.3	176.5	-68.9	166.2	140.3	0	0	111.5	R186 S188 T189 L194 L195 F196	R186-E192 IonicContact CZ-OE1 3.33Å; R186-E192 IonicContact CZ-OE2 3.87Å; R186-E192 IonicContact NH1-OE1 2.69Å; R186-E192 PolarHBondContact NH1-OE1 2.89Å; R186-E192 IonicContact NH1-OE2 3.96Å; R186-E192 PolarHBondContact NH1-OE2 3.45Å; R186-E192 IonicContact NH2-OE1 2.71Å; R186-E192 PolarHBondContact NH2-OE1 3.4Å; R186-E192 IonicContact NH2-OE2 3.72Å; S188-E192 WeakPolarHBondContact CA-OE2 3.45Å; T189-E192 PolarHBondContact N-OE2 2.91Å; T189-E192 WeakPolarHBondContact O-CB 3.46Å; T189-E192 PolarHBondContact O-N 3.04Å; T189-E192 VanDerWaalsContact O-N 3.08Å; T189-E192 WeakPolarHBondContact OG1-CG 3.36Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 2.94Å; T189-E192 VanDerWaalsContact OG1-OE2 3.09Å; E192-L194 PolarHBondContact O-N 3.4Å; E192-L195 WeakPolarHBondContact O-CB 3.1Å; E192-L195 PolarHBondContact O-N 2.87Å; E192-L195 VanDerWaalsContact O-N 3.13Å; E192-F196 HydrophobicContact CB-CD2 4.44Å; E192-F196 HydrophobicContact CB-CE2 3.85Å; E192-F196 HydrophobicContact CB-CZ 4.09Å; E192-F196 WeakPolarHBondContact O-CD2 3.49Å; E192-F196 WeakPolarHBondContact O-CG 3.49Å; E192-F196 PolarHBondContact O-N 3.43Å
193	S	98.1	Very high	97.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-48.2	179.1	-162.4	0	0	0	0	112.6	T189 R190 L195 F196 Q197 D232 C233 W234	T189-S193 PolarHBondContact O-N 2.66Å; R190-S193 PolarHBondContact O-N 2.84Å; S193-L195 VanDerWaalsContact C-N 3.33Å; S193-L195 PolarHBondContact O-N 2.63Å; S193-F196 PolarHBondContact O-N 3.43Å; S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 PolarHBondContact O-N 3.38Å; S193-D232 WeakPolarHBondContact CB-OD2 3.27Å; S193-D232 PolarHBondContact OG-OD2 2.96Å; S193-C233 VanDerWaalsContact CB-SG 3.58Å; S193-W234 WeakPolarHBondContact OG-CB 3.46Å; S193-W234 PolarHBondContact OG-N 2.74Å
194	L	97.6	Very high	97.6	Very high	78 Å²	78	62.1 Å²	62.1	41%	0.408	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-35.3	176.6	-71	171.2	0	0	0	112.4	R190 E192 K198 W234	R190-L194 HydrophobicContact CG-CD1 3.91Å; R190-L194 HydrophobicContact CG-CG 4.21Å; R190-L194 WeakPolarHBondContact O-CB 3.38Å; R190-L194 VanDerWaalsContact O-CG 3.29Å; R190-L194 WeakPolarHBondContact O-CG 3.42Å; R190-L194 PolarHBondContact O-N 2.97Å; E192-L194 PolarHBondContact O-N 3.4Å; L194-K198 VanDerWaalsContact O-CB 3.28Å; L194-K198 WeakPolarHBondContact O-CB 3.44Å; L194-K198 PolarHBondContact O-N 3.26Å; L194-W234 HydrophobicContact CD2-CB 3.99Å; L194-W234 HydrophobicContact CG-CB 4.42Å
195	L	98.1	Very high	97.6	Very high	73 Å²	73	61.6 Å²	61.6	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-47.6	174.9	-178.9	64.9	0	0	0	111	C191 E192 S193 K198 W199	C191-L195 WeakPolarHBondContact O-CB 3.25Å; C191-L195 PolarHBondContact O-N 2.79Å; E192-L195 WeakPolarHBondContact O-CB 3.1Å; E192-L195 PolarHBondContact O-N 2.87Å; E192-L195 VanDerWaalsContact O-N 3.13Å; S193-L195 VanDerWaalsContact C-N 3.33Å; S193-L195 PolarHBondContact O-N 2.63Å; L195-K198 WeakPolarHBondContact O-CB 3.27Å; L195-K198 PolarHBondContact O-N 3.35Å; L195-K198 VanDerWaalsContact O-N 3.16Å; L195-W199 HydrophobicContact CD1-CZ2 4.13Å; L195-W199 HydrophobicContact CD2-CZ2 4.03Å; L195-W199 HydrophobicContact CG-CZ2 4.09Å; L195-W199 PolarHBondContact O-N 2.69Å
196	F	98	Very high	97.7	Very high	9 Å²	9	59 Å²	59	4%	0.039	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-40.1	179.7	-59.7	-27.6	0	0	0	112.2	L92 I180 I182 E192 S193 W199 G200 F201 I204	L92-F196 HydrophobicContact CD1-CB 3.69Å; I180-F196 HydrophobicContact CD1-CD1 3.47Å; I180-F196 VanDerWaalsContact CD1-CD1 3.47Å; I180-F196 HydrophobicContact CD1-CD2 4.14Å; I180-F196 HydrophobicContact CD1-CE1 3.34Å; I180-F196 HydrophobicContact CD1-CE2 4.02Å; I180-F196 HydrophobicContact CD1-CG 3.89Å; I180-F196 HydrophobicContact CD1-CZ 3.63Å; I180-F196 HydrophobicContact CG2-CB 4.3Å; I180-F196 HydrophobicContact CG2-CD2 4.13Å; I180-F196 HydrophobicContact CG2-CG 4.18Å; I182-F196 HydrophobicContact CG2-CE2 3.98Å; I182-F196 HydrophobicContact CG2-CZ 4.3Å; E192-F196 HydrophobicContact CB-CD2 4.44Å; E192-F196 HydrophobicContact CB-CE2 3.85Å; E192-F196 HydrophobicContact CB-CZ 4.09Å; E192-F196 WeakPolarHBondContact O-CD2 3.49Å; E192-F196 WeakPolarHBondContact O-CG 3.49Å; E192-F196 PolarHBondContact O-N 3.43Å; S193-F196 PolarHBondContact O-N 3.43Å; F196-W199 PolarHBondContact O-N 2.9Å; F196-G200 PolarHBondContact O-N 3.12Å; F196-F201 HydrophobicContact CB-CD2 4.03Å; F196-F201 PolarHBondContact O-N 2.86Å; F196-I204 HydrophobicContact CD2-CD1 3.95Å; F196-I204 HydrophobicContact CE2-CD1 4.01Å
197	Q	95	Very high	97.7	Very high	50 Å²	50	53.1 Å²	53.1	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-45.1	170.6	177.2	176.7	81.7	0	0	111.3	L92 S193 W199 G200	L92-Q197 WeakPolarHBondContact O-CG 3.39Å; L92-Q197 PolarHBondContact O-NE2 3.05Å; S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 PolarHBondContact O-N 3.38Å; Q197-W199 VanDerWaalsContact C-N 3.26Å; Q197-W199 PolarHBondContact O-N 3.15Å; Q197-G200 WeakPolarHBondContact O-CA 3.43Å; Q197-G200 PolarHBondContact O-N 3.33Å
198	K	96.8	Very high	97.7	Very high	182 Å²	182	49.6 Å²	49.6	79%	0.791	25%	0.252	S	S	*	.	H	α-helix	trans	-65	-28.8	179	-173	174.6	-178.5	179.6	0	112.9	L194 L195 G200	L194-K198 VanDerWaalsContact O-CB 3.28Å; L194-K198 WeakPolarHBondContact O-CB 3.44Å; L194-K198 PolarHBondContact O-N 3.26Å; L195-K198 WeakPolarHBondContact O-CB 3.27Å; L195-K198 PolarHBondContact O-N 3.35Å; L195-K198 VanDerWaalsContact O-N 3.16Å; K198-G200 PolarHBondContact O-N 3.27Å
199	W	97.5	Very high	97.7	Very high	132 Å²	132	49 Å²	49	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.1	171.9	-69.8	4	0	0	0	113.3	Y108 L195 F196 Q197 F201	Y108-W199 HydrophobicContact CE1-CZ3 4.37Å; Y108-W199 HydrophobicContact CE2-CZ3 4.47Å; L195-W199 HydrophobicContact CD1-CZ2 4.13Å; L195-W199 HydrophobicContact CD2-CZ2 4.03Å; L195-W199 HydrophobicContact CG-CZ2 4.09Å; L195-W199 PolarHBondContact O-N 2.69Å; F196-W199 PolarHBondContact O-N 2.9Å; Q197-W199 VanDerWaalsContact C-N 3.26Å; Q197-W199 PolarHBondContact O-N 3.15Å; W199-F201 HydrophobicContact CB-CD2 4.25Å; W199-F201 HydrophobicContact CB-CE2 4.03Å; W199-F201 HydrophobicContact CB-CZ 4.42Å; W199-F201 HydrophobicContact CD2-CE2 4.42Å; W199-F201 AromaticContact CE3-CE2 3.58Å; W199-F201 HydrophobicContact CE3-CE2 3.58Å; W199-F201 AromaticContact CE3-CZ 3.93Å; W199-F201 HydrophobicContact CE3-CZ 3.93Å; W199-F201 HydrophobicContact CZ3-CE2 4.4Å
200	G	96.5	Very high	97.8	Very high	43 Å²	43	45.6 Å²	45.6	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	16.9	174.2	0	0	0	0	0	114.6	F196 Q197 K198	F196-G200 PolarHBondContact O-N 3.12Å; Q197-G200 WeakPolarHBondContact O-CA 3.43Å; Q197-G200 PolarHBondContact O-N 3.33Å; K198-G200 PolarHBondContact O-N 3.27Å
201	F	98	Very high	97.8	Very high	25 Å²	25	39.4 Å²	39.4	11%	0.11	20%	0.203	C	C	.	.			trans	-70.5	145.9	174.1	-60.5	-48.4	0	0	0	111.6	L92 Q93 Y108 S178 I180 F196 W199	L92-F201 WeakPolarHBondContact CB-O 3.48Å; L92-F201 HydrophobicContact CD1-CB 3.82Å; Q93-F201 PolarHBondContact NE2-O 3.39Å; Y108-F201 HydrophobicContact CD1-CE2 4.41Å; Y108-F201 HydrophobicContact CD1-CZ 4.13Å; Y108-F201 HydrophobicContact CD2-CE1 4.27Å; Y108-F201 AromaticContact CD2-CZ 3.65Å; Y108-F201 HydrophobicContact CD2-CZ 3.65Å; Y108-F201 HydrophobicContact CE2-CZ 4.45Å; Y108-F201 HydrophobicContact CG-CE1 4.08Å; Y108-F201 HydrophobicContact CG-CE2 4.14Å; Y108-F201 AromaticContact CG-CZ 3.44Å; Y108-F201 HydrophobicContact CG-CZ 3.44Å; Y108-F201 VanDerWaalsContact CG-CZ 3.44Å; S178-F201 WeakPolarHBondContact OG-CA 3.3Å; I180-F201 HydrophobicContact CB-CD2 3.83Å; I180-F201 HydrophobicContact CB-CE2 4.08Å; I180-F201 HydrophobicContact CB-CG 4.26Å; I180-F201 HydrophobicContact CD1-CD2 4.23Å; I180-F201 HydrophobicContact CD1-CE2 3.87Å; I180-F201 HydrophobicContact CG1-CE2 4.5Å; I180-F201 HydrophobicContact CG2-CB 4.41Å; I180-F201 HydrophobicContact CG2-CD2 3.96Å; I180-F201 HydrophobicContact CG2-CG 4.38Å; F196-F201 HydrophobicContact CB-CD2 4.03Å; F196-F201 PolarHBondContact O-N 2.86Å; W199-F201 HydrophobicContact CB-CD2 4.25Å; W199-F201 HydrophobicContact CB-CE2 4.03Å; W199-F201 HydrophobicContact CB-CZ 4.42Å; W199-F201 HydrophobicContact CD2-CE2 4.42Å; W199-F201 AromaticContact CE3-CE2 3.58Å; W199-F201 HydrophobicContact CE3-CE2 3.58Å; W199-F201 AromaticContact CE3-CZ 3.93Å; W199-F201 HydrophobicContact CE3-CZ 3.93Å; W199-F201 HydrophobicContact CZ3-CE2 4.4Å
202	D	97.8	Very high	97.9	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	17%	0.171	C	C	.	.			trans	-83.7	-43.2	-179.7	-62.5	-77.1	0	0	0	112.5	L92 K96 G177 S178	L92-D202 PolarHBondContact N-O 3.17Å; K96-D202 HydrophobicContact CD-CB 3.75Å; K96-D202 VanDerWaalsContact CE-OD1 3.24Å; K96-D202 WeakPolarHBondContact CE-OD1 3.46Å; K96-D202 IonicContact NZ-OD1 3.51Å; K96-D202 PolarHBondContact NZ-OD1 3.32Å; G177-D202 WeakPolarHBondContact CA-OD2 3.4Å; S178-D202 PolarHBondContact N-OD2 3.32Å; S178-D202 VanDerWaalsContact O-CB 3.29Å; S178-D202 WeakPolarHBondContact O-CB 3.49Å; S178-D202 PolarHBondContact O-N 3.07Å; S178-D202 VanDerWaalsContact O-N 3.14Å; S178-D202 PolarHBondContact OG-N 2.96Å; S178-D202 VanDerWaalsContact OG-N 3.16Å; S178-D202 PolarHBondContact OG-OD2 3.18Å
203	L	98.5	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.8	-170.5	-61	179.2	0	0	0	111.7	C89 G90 K96 V102 L104 S178 V179 I180 A226 V228	C89-L203 HydrophobicContact CB-CB 4.17Å; C89-L203 HydrophobicContact CB-CD1 4.19Å; C89-L203 HydrophobicContact CB-CD2 4.49Å; G90-L203 CarbonylContact O-C 3.49Å; G90-L203 WeakPolarHBondContact O-CA 3.4Å; K96-L203 HydrophobicContact CD-CD2 4.29Å; V102-L203 HydrophobicContact CB-CD1 3.78Å; V102-L203 HydrophobicContact CG1-CD1 4.19Å; V102-L203 HydrophobicContact CG2-CD1 3.69Å; V102-L203 HydrophobicContact CG2-CD2 4.4Å; V102-L203 HydrophobicContact CG2-CG 4.41Å; L104-L203 HydrophobicContact CD2-CD1 3.85Å; S178-L203 PolarHBondContact O-N 3.14Å; V179-L203 CarbonylContact C-O 3.23Å; V179-L203 WeakPolarHBondContact CA-O 3.43Å; V179-L203 HydrophobicContact CB-CB 4.14Å; V179-L203 HydrophobicContact CG2-CB 3.97Å; I180-L203 WeakPolarHBondContact CG2-O 3.42Å; I180-L203 PolarHBondContact N-O 3.43Å; L203-A226 HydrophobicContact CD1-CB 3.65Å; L203-V228 HydrophobicContact CD2-CG2 3.86Å
204	I	98.7	Very high	97.9	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	170.1	-178.7	165	0	0	0	110.6	C89 G90 L92 I180 I182 S188 F196 D232	C89-I204 CarbonylContact C-O 3.6Å; C89-I204 WeakPolarHBondContact CA-O 3.26Å; C89-I204 WeakPolarHBondContact CB-O 3.45Å; G90-I204 PolarHBondContact N-O 2.96Å; G90-I204 WeakPolarHBondContact O-CG2 3.3Å; G90-I204 PolarHBondContact O-N 3.3Å; L92-I204 HydrophobicContact CD1-CB 4.25Å; L92-I204 HydrophobicContact CD2-CG2 4.19Å; L92-I204 HydrophobicContact CG-CB 4.38Å; L92-I204 HydrophobicContact CG-CG2 4.28Å; I180-I204 HydrophobicContact CG2-CB 3.92Å; I180-I204 HydrophobicContact CG2-CD1 4.36Å; I180-I204 HydrophobicContact CG2-CG1 4.02Å; I180-I204 WeakPolarHBondContact O-CA 3.41Å; I182-I204 HydrophobicContact CD1-CD1 4Å; I182-I204 HydrophobicContact CD1-CG1 4.43Å; I182-I204 HydrophobicContact CG1-CD1 4.29Å; I182-I204 HydrophobicContact CG1-CG1 4.3Å; I182-I204 HydrophobicContact CG2-CD1 3.8Å; I182-I204 HydrophobicContact CG2-CG1 4.16Å; S188-I204 WeakPolarHBondContact OG-CD1 3.21Å; F196-I204 HydrophobicContact CD2-CD1 3.95Å; F196-I204 HydrophobicContact CE2-CD1 4.01Å; I204-D232 HydrophobicContact CG2-CB 3.89Å
205	N	98.2	Very high	98	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-172.5	174.3	81.7	12.6	0	0	0	112.4	C89 V179 I180 T181 I182 T207	C89-N205 HydrophobicContact CB-CB 4.35Å; C89-N205 VanDerWaalsContact SG-CB 3.54Å; V179-N205 HydrophobicContact CG2-CB 3.96Å; I180-N205 PolarHBondContact O-N 3.28Å; T181-N205 CarbonylContact C-O 3.56Å; T181-N205 WeakPolarHBondContact CA-O 3.42Å; T181-N205 WeakPolarHBondContact CG2-OD1 3.28Å; T181-N205 PolarHBondContact OG1-OD1 2.84Å; T181-N205 VanDerWaalsContact OG1-OD1 3.14Å; I182-N205 WeakPolarHBondContact CG1-O 3.42Å; I182-N205 PolarHBondContact N-O 2.92Å; N205-T207 PolarHBondContact OD1-N 3.05Å
206	M	98	Very high	98	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.143	14%	0.138	C	C	.	.	S	Bend	trans	-125.9	-4.2	-179.9	-55.3	-176.2	-177.2	0	0	115.2	P63 R114 I182 R186 F187	P63-M206 HydrophobicContact CB-CB 3.56Å; P63-M206 HydrophobicContact CG-CB 3.69Å; P63-M206 HydrophobicContact CG-CG 4.41Å; P63-M206 HydrophobicContact CG-SD 3.85Å; R114-M206 PolarHBondContact NH1-O 2.87Å; R114-M206 PolarHBondContact NH2-O 3.21Å; I182-M206 HydrophobicContact CD1-CE 4.02Å; I182-M206 HydrophobicContact CG1-CE 4.45Å; I182-M206 HydrophobicContact CG1-CG 3.96Å; I182-M206 WeakPolarHBondContact O-CA 3.41Å; R186-M206 WeakPolarHBondContact O-CE 3.46Å; F187-M206 HydrophobicContact CD1-CE 3.91Å; F187-M206 HydrophobicContact CE1-CE 4.19Å
207	T	97.5	Very high	98.1	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.067	14%	0.14	C	C	.	.	S	Bend	trans	-129.1	-7.2	-161.6	55.5	0	0	0	0	115.8	P63 N87 N205	P63-T207 HydrophobicContact CB-CG2 4.14Å; P63-T207 HydrophobicContact CG-CG2 4.42Å; N87-T207 PolarHBondContact ND2-OG1 3.42Å; N205-T207 PolarHBondContact OD1-N 3.05Å
208	L	98.3	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-69.8	-43.3	-177.8	175.5	70.6	0	0	0	111.7	L104 F107 F138 V179 E211 V212 Y222	L104-L208 HydrophobicContact CD1-CD1 4.43Å; L104-L208 HydrophobicContact CD1-CD2 4.06Å; F107-L208 HydrophobicContact CB-CD2 3.61Å; F107-L208 HydrophobicContact CD1-CD2 4.21Å; F107-L208 HydrophobicContact CG-CD2 4.12Å; F138-L208 HydrophobicContact CE1-CD1 3.95Å; F138-L208 HydrophobicContact CZ-CD1 4.02Å; F138-L208 HydrophobicContact CZ-CD2 3.86Å; V179-L208 HydrophobicContact CG1-CB 4.44Å; V179-L208 HydrophobicContact CG1-CD2 3.23Å; V179-L208 HydrophobicContact CG1-CG 4.43Å; L208-E211 WeakPolarHBondContact O-CA 3.41Å; L208-E211 VanDerWaalsContact O-CB 3.27Å; L208-E211 WeakPolarHBondContact O-CB 3.14Å; L208-E211 PolarHBondContact O-N 2.89Å; L208-V212 HydrophobicContact CD1-CB 3.93Å; L208-V212 HydrophobicContact CD1-CG1 4.16Å; L208-V212 HydrophobicContact CD2-CG1 4.48Å; L208-V212 HydrophobicContact CG-CB 4.29Å; L208-V212 HydrophobicContact CG-CG1 3.95Å; L208-V212 PolarHBondContact O-N 3.25Å; L208-Y222 HydrophobicContact CD1-CE1 3.94Å
209	V	98.7	Very high	98.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	131.2	179.8	-174.4	0	0	0	0	109.5	F107 D109 T111 R114 T181 V212	F107-V209 HydrophobicContact CD2-CG2 3.42Å; F107-V209 VanDerWaalsContact CD2-CG2 3.42Å; F107-V209 HydrophobicContact CE2-CG2 3.54Å; F107-V209 HydrophobicContact CG-CG2 3.99Å; F107-V209 HydrophobicContact CZ-CG2 4.15Å; D109-V209 HydrophobicContact CB-CG1 4.13Å; D109-V209 HydrophobicContact CB-CG2 4.42Å; D109-V209 WeakPolarHBondContact OD2-CG1 3.4Å; T111-V209 HydrophobicContact CG2-CB 4.2Å; R114-V209 PolarHBondContact NH1-O 2.81Å; T181-V209 HydrophobicContact CG2-CB 4.12Å; V209-V212 HydrophobicContact CG2-CG1 4.37Å
210	P	98.7	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	11.6	6.6	35.7	-36.6	0	0	0	116.6	Y68 L116 V212 S213 L214	Y68-P210 HydrophobicContact CD2-CG 3.9Å; Y68-P210 HydrophobicContact CG-CG 3.94Å; L116-P210 HydrophobicContact CB-CB 4.26Å; L116-P210 HydrophobicContact CD2-CB 3.63Å; L116-P210 HydrophobicContact CD2-CG 3.88Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 PolarHBondContact O-N 3.48Å; P210-S213 PolarHBondContact O-N 2.86Å; P210-S213 VanDerWaalsContact O-N 3.12Å; P210-L214 HydrophobicContact CB-CD1 3.98Å; P210-L214 HydrophobicContact CB-CG 4.22Å; P210-L214 HydrophobicContact CG-CD1 3.86Å; P210-L214 WeakPolarHBondContact O-CB 3.48Å; P210-L214 WeakPolarHBondContact O-CG 3.38Å; P210-L214 PolarHBondContact O-N 3.02Å
211	E	98.8	Very high	98.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-51.4	-48.3	-176.4	-165.7	177	93.7	0	0	113	I9 R54 Y68 I72 A85 L208 A215 Y222	I9-E211 HydrophobicContact CD1-CG 4.12Å; I9-E211 WeakPolarHBondContact CG2-OE2 3.33Å; R54-E211 IonicContact CZ-OE1 3.41Å; R54-E211 IonicContact CZ-OE2 2.69Å; R54-E211 IonicContact NE-OE1 3.46Å; R54-E211 IonicContact NE-OE2 2.67Å; R54-E211 PolarHBondContact NE-OE2 3.39Å; R54-E211 IonicContact NH2-OE1 3.38Å; R54-E211 PolarHBondContact NH2-OE1 3.4Å; R54-E211 IonicContact NH2-OE2 2.82Å; R54-E211 PolarHBondContact NH2-OE2 3.39Å; R54-E211 VanDerWaalsContact NH2-OE2 3.16Å; Y68-E211 HydrophobicContact CD1-CB 3.82Å; Y68-E211 HydrophobicContact CD1-CG 4.39Å; Y68-E211 HydrophobicContact CE1-CB 4.22Å; I72-E211 HydrophobicContact CD1-CG 3.91Å; A85-E211 WeakPolarHBondContact CB-OE1 3.22Å; L208-E211 WeakPolarHBondContact O-CA 3.41Å; L208-E211 VanDerWaalsContact O-CB 3.27Å; L208-E211 WeakPolarHBondContact O-CB 3.14Å; L208-E211 PolarHBondContact O-N 2.89Å; E211-A215 WeakPolarHBondContact O-CB 3.42Å; E211-A215 PolarHBondContact O-N 2.83Å; E211-Y222 HydrophobicContact CG-CE2 3.82Å; E211-Y222 WeakPolarHBondContact OE1-CE2 3.44Å; E211-Y222 PolarHBondContact OE1-OH 3.44Å
212	V	98.8	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.4	-43	178.4	62.2	0	0	0	0	112.6	F107 P137 F138 L208 V209 P210 A215 R216 Y222	F107-V212 HydrophobicContact CD1-CG1 3.92Å; F107-V212 HydrophobicContact CE1-CG1 3.53Å; F107-V212 HydrophobicContact CZ-CG1 4.12Å; P137-V212 HydrophobicContact CB-CG2 4.25Å; P137-V212 WeakPolarHBondContact O-CG2 3.43Å; F138-V212 HydrophobicContact CD1-CG2 4.04Å; F138-V212 HydrophobicContact CE1-CG2 3.96Å; F138-V212 HydrophobicContact CG-CG2 4.47Å; F138-V212 HydrophobicContact CZ-CG2 4.29Å; L208-V212 HydrophobicContact CD1-CB 3.93Å; L208-V212 HydrophobicContact CD1-CG1 4.16Å; L208-V212 HydrophobicContact CD2-CG1 4.48Å; L208-V212 HydrophobicContact CG-CB 4.29Å; L208-V212 HydrophobicContact CG-CG1 3.95Å; L208-V212 PolarHBondContact O-N 3.25Å; V209-V212 HydrophobicContact CG2-CG1 4.37Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 PolarHBondContact O-N 3.48Å; V212-A215 PolarHBondContact O-N 3.41Å; V212-R216 PolarHBondContact O-N 2.91Å; V212-Y222 HydrophobicContact CB-CD1 3.98Å; V212-Y222 HydrophobicContact CB-CE1 3.74Å; V212-Y222 HydrophobicContact CG2-CD1 3.69Å; V212-Y222 HydrophobicContact CG2-CE1 3.89Å
213	S	98.8	Very high	98.6	Very high	23 Å²	23	8.1 Å²	8.1	16%	0.161	5%	0.045	C	C	.	.	H	α-helix	trans	-65.5	-47.4	-179.3	-50.4	0	0	0	0	110.9	M134 P210 A215 R216 E217	M134-S213 WeakPolarHBondContact CE-OG 3.47Å; P210-S213 PolarHBondContact O-N 2.86Å; P210-S213 VanDerWaalsContact O-N 3.12Å; S213-A215 PolarHBondContact O-N 3.33Å; S213-R216 WeakPolarHBondContact O-CB 3.48Å; S213-R216 PolarHBondContact O-N 3.15Å; S213-E217 PolarHBondContact O-N 3.11Å
214	L	98.9	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.7	-38.4	179.1	-70.9	166.7	0	0	0	111.6	R69 I72 L116 F118 P210 R216 E217 A218	R69-L214 HydrophobicContact CG-CD1 3.86Å; R69-L214 HydrophobicContact CG-CD2 3.93Å; I72-L214 HydrophobicContact CB-CB 4.31Å; I72-L214 HydrophobicContact CG1-CB 3.95Å; I72-L214 HydrophobicContact CG2-CB 4.33Å; L116-L214 WeakPolarHBondContact O-CD2 3.49Å; F118-L214 HydrophobicContact CD1-CD2 4.13Å; F118-L214 HydrophobicContact CD2-CD2 3.89Å; F118-L214 HydrophobicContact CE1-CD2 4.03Å; F118-L214 HydrophobicContact CE2-CB 4.02Å; F118-L214 HydrophobicContact CE2-CD2 3.76Å; F118-L214 WeakPolarHBondContact CE2-O 3.47Å; F118-L214 HydrophobicContact CG-CD2 4.08Å; F118-L214 HydrophobicContact CZ-CB 4.05Å; F118-L214 HydrophobicContact CZ-CD2 3.85Å; F118-L214 HydrophobicContact CZ-CG 4.47Å; P210-L214 HydrophobicContact CB-CD1 3.98Å; P210-L214 HydrophobicContact CB-CG 4.22Å; P210-L214 HydrophobicContact CG-CD1 3.86Å; P210-L214 WeakPolarHBondContact O-CB 3.48Å; P210-L214 WeakPolarHBondContact O-CG 3.38Å; P210-L214 PolarHBondContact O-N 3.02Å; L214-R216 PolarHBondContact O-N 3.09Å; L214-E217 PolarHBondContact O-N 3.42Å; L214-A218 VanDerWaalsContact O-CB 3.31Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.28Å
215	A	98.9	Very high	98.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.9	-39	175.2	0	0	0	0	0	111.7	I72 I83 E211 V212 S213 A218 G219 L220 Y222	I72-A215 HydrophobicContact CD1-CB 4.11Å; I83-A215 HydrophobicContact CD1-CB 4.34Å; E211-A215 WeakPolarHBondContact O-CB 3.42Å; E211-A215 PolarHBondContact O-N 2.83Å; V212-A215 PolarHBondContact O-N 3.41Å; S213-A215 PolarHBondContact O-N 3.33Å; A215-A218 PolarHBondContact O-N 3.09Å; A215-G219 PolarHBondContact O-N 3.48Å; A215-L220 WeakPolarHBondContact O-CB 3.37Å; A215-L220 PolarHBondContact O-N 3.47Å; A215-Y222 HydrophobicContact CB-CD2 3.54Å; A215-Y222 HydrophobicContact CB-CE2 4.48Å; A215-Y222 HydrophobicContact CB-CG 3.8Å
216	R	98.8	Very high	98.6	Very high	41 Å²	41	7.5 Å²	7.5	16%	0.155	4%	0.041	C	C	.	.	H	α-helix	trans	-66.6	-45.8	173.1	177.3	164.7	-62.8	-172.3	-7.3	112.3	M132 P133 M134 D136 P137 F138 V212 S213 L214 A218 G219 V284	M132-R216 HydrophobicContact CE-CG 3.44Å; M132-R216 VanDerWaalsContact CE-CG 3.44Å; P133-R216 WeakPolarHBondContact O-CD 3.48Å; P133-R216 PolarHBondContact O-NH1 3.31Å; M134-R216 HydrophobicContact SD-CB 4.47Å; M134-R216 VanDerWaalsContact SD-CD 3.57Å; M134-R216 HydrophobicContact SD-CG 4.45Å; D136-R216 PolarHBondContact O-NH1 3.19Å; D136-R216 PolarHBondContact O-NH2 3.33Å; P137-R216 VanDerWaalsContact O-CZ 3.32Å; P137-R216 PolarHBondContact O-NH2 3.5Å; F138-R216 PolarHBondContact O-NH2 3.01Å; V212-R216 PolarHBondContact O-N 2.91Å; S213-R216 WeakPolarHBondContact O-CB 3.48Å; S213-R216 PolarHBondContact O-N 3.15Å; L214-R216 PolarHBondContact O-N 3.09Å; R216-A218 PolarHBondContact O-N 2.95Å; R216-G219 PolarHBondContact O-N 3.32Å; R216-V284 WeakPolarHBondContact O-CG2 3.49Å
217	E	98.8	Very high	98.5	Very high	15 Å²	15	6.1 Å²	6.1	7%	0.07	3%	0.034	C	C	.	.	H	α-helix	trans	-59.8	-29.9	174.1	-66.4	-165.3	175.2	0	0	113	T117 F118 L130 M132 S213 L214 G219 V284	T117-E217 WeakPolarHBondContact CA-OE2 3.36Å; T117-E217 WeakPolarHBondContact CB-OE1 3.26Å; T117-E217 PolarHBondContact OG1-OE1 3.33Å; T117-E217 PolarHBondContact OG1-OE2 3.33Å; F118-E217 HydrophobicContact CD2-CB 3.75Å; F118-E217 WeakPolarHBondContact CD2-OE2 3.31Å; F118-E217 HydrophobicContact CE2-CB 4.13Å; F118-E217 PolarHBondContact N-OE2 3.47Å; L130-E217 HydrophobicContact CD2-CB 3.88Å; L130-E217 HydrophobicContact CD2-CG 3.57Å; M132-E217 HydrophobicContact CG-CG 3.78Å; S213-E217 PolarHBondContact O-N 3.11Å; L214-E217 PolarHBondContact O-N 3.42Å; E217-G219 PolarHBondContact O-N 3.17Å; E217-V284 WeakPolarHBondContact O-CG2 3.28Å
218	A	98.7	Very high	98.5	Very high	8 Å²	8	5.6 Å²	5.6	7%	0.066	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.8	176.6	0	0	0	0	0	113.6	I72 K76 F118 L214 A215 R216 L220	I72-A218 HydrophobicContact CG2-CB 3.67Å; K76-A218 HydrophobicContact CD-CB 4.02Å; K76-A218 WeakPolarHBondContact CE-O 3.47Å; F118-A218 HydrophobicContact CE2-CB 4.05Å; L214-A218 VanDerWaalsContact O-CB 3.31Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.28Å; A215-A218 PolarHBondContact O-N 3.09Å; R216-A218 PolarHBondContact O-N 2.95Å; A218-L220 HydrophobicContact CB-CD1 3.9Å; A218-L220 HydrophobicContact CB-CG 3.82Å
219	G	98.7	Very high	98.4	Very high	10 Å²	10	5.8 Å²	5.8	10%	0.103	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	28.1	-175	0	0	0	0	0	113.3	A215 R216 E217 N280	A215-G219 PolarHBondContact O-N 3.48Å; R216-G219 PolarHBondContact O-N 3.32Å; E217-G219 PolarHBondContact O-N 3.17Å; G219-N280 WeakPolarHBondContact O-CB 3.39Å
220	L	98.8	Very high	98.3	Very high	13 Å²	13	6 Å²	6	7%	0.068	3%	0.034	C	C	.	.			trans	-104.6	143.7	-176.9	-55.6	179.1	0	0	0	111.4	I72 K76 C80 I83 A215 A218 Y222	I72-L220 HydrophobicContact CG2-CD1 4.25Å; K76-L220 HydrophobicContact CB-CD1 4.27Å; C80-L220 WeakPolarHBondContact O-CD2 3.5Å; I83-L220 HydrophobicContact CD1-CD1 3.52Å; I83-L220 HydrophobicContact CG1-CD1 4.07Å; A215-L220 WeakPolarHBondContact O-CB 3.37Å; A215-L220 PolarHBondContact O-N 3.47Å; A218-L220 HydrophobicContact CB-CD1 3.9Å; A218-L220 HydrophobicContact CB-CG 3.82Å; L220-Y222 PolarHBondContact O-N 2.83Å
221	S	98.9	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.1	172.1	-69.7	0	0	0	0	110.2	T81 H82 I83 N280	T81-S221 PolarHBondContact O-N 2.82Å; H82-S221 CarbonylContact C-O 3.56Å; H82-S221 VanDerWaalsContact CA-O 3.23Å; H82-S221 WeakPolarHBondContact CA-O 3.44Å; H82-S221 WeakPolarHBondContact CD2-CB 3.44Å; I83-S221 PolarHBondContact N-O 2.68Å; S221-N280 PolarHBondContact N-ND2 3.11Å; S221-N280 PolarHBondContact OG-ND2 3.09Å
222	Y	98.9	Very high	98.2	Very high	4 Å²	4	7.2 Å²	7.2	2%	0.016	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.6	-177.5	-176.4	-86	0	0	0	112.4	I83 A85 F138 C139 L208 E211 V212 A215 L220	I83-Y222 HydrophobicContact CB-CD2 3.78Å; I83-Y222 HydrophobicContact CB-CE2 4.44Å; I83-Y222 HydrophobicContact CG2-CD2 3.6Å; I83-Y222 HydrophobicContact CG2-CE2 3.74Å; I83-Y222 WeakPolarHBondContact O-CA 3.24Å; A85-Y222 HydrophobicContact CB-CE2 3.74Å; A85-Y222 WeakPolarHBondContact CB-OH 3.26Å; F138-Y222 AromaticContact CD1-CD1 3.79Å; F138-Y222 HydrophobicContact CD1-CD1 3.79Å; F138-Y222 HydrophobicContact CD1-CE1 4.04Å; F138-Y222 HydrophobicContact CE1-CD1 4.05Å; F138-Y222 AromaticContact CE1-CE1 3.81Å; F138-Y222 HydrophobicContact CE1-CE1 3.81Å; C139-Y222 PolarHBondContact N-O 3.34Å; L208-Y222 HydrophobicContact CD1-CE1 3.94Å; E211-Y222 HydrophobicContact CG-CE2 3.82Å; E211-Y222 WeakPolarHBondContact OE1-CE2 3.44Å; E211-Y222 PolarHBondContact OE1-OH 3.44Å; V212-Y222 HydrophobicContact CB-CD1 3.98Å; V212-Y222 HydrophobicContact CB-CE1 3.74Å; V212-Y222 HydrophobicContact CG2-CD1 3.69Å; V212-Y222 HydrophobicContact CG2-CE1 3.89Å; A215-Y222 HydrophobicContact CB-CD2 3.54Å; A215-Y222 HydrophobicContact CB-CE2 4.48Å; A215-Y222 HydrophobicContact CB-CG 3.8Å; L220-Y222 PolarHBondContact O-N 2.83Å
223	A	98.8	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.8	166.2	0	0	0	0	0	110.7	I83 L84 A85 T142 R143 L146	I83-A223 PolarHBondContact O-N 2.99Å; L84-A223 HydrophobicContact CD2-CB 4.38Å; A85-A223 PolarHBondContact N-O 3.22Å; T142-A223 HydrophobicContact CG2-CB 3.67Å; R143-A223 HydrophobicContact CG-CB 4.16Å; L146-A223 HydrophobicContact CD1-CB 3.63Å
224	S	98.4	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.7	175.9	172.9	0	0	0	0	111.2	A85 N87 L104	A85-S224 WeakPolarHBondContact O-CA 3.42Å; N87-S224 PolarHBondContact OD1-OG 3.32Å; L104-S224 PolarHBondContact N-O 2.97Å
225	I	98.1	Very high	97.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.9	165.2	-173.3	167.7	0	0	0	108.9	A85 T86 N87 F101 V102 L146 V257 I260 L261	A85-I225 PolarHBondContact O-N 3.21Å; T86-I225 WeakPolarHBondContact CA-O 3.38Å; T86-I225 HydrophobicContact CG2-CG2 4.06Å; N87-I225 PolarHBondContact N-O 3.17Å; F101-I225 HydrophobicContact CB-CD1 4Å; F101-I225 HydrophobicContact CB-CG1 4.03Å; F101-I225 HydrophobicContact CG-CD1 4.45Å; V102-I225 WeakPolarHBondContact O-CA 3.48Å; L146-I225 HydrophobicContact CD1-CB 4.48Å; I225-V257 HydrophobicContact CG2-CG1 3.87Å; I225-I260 HydrophobicContact CD1-CD1 3.81Å; I225-I260 HydrophobicContact CD1-CG2 3.94Å; I225-L261 HydrophobicContact CG2-CD2 4.17Å
226	A	97.6	Very high	97.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.1	175.6	0	0	0	0	0	110.8	N87 C89 F101 V102 L104 L203	N87-A226 CarbonylContact O-C 3.57Å; N87-A226 VanDerWaalsContact O-CA 3.27Å; N87-A226 WeakPolarHBondContact O-CA 3.47Å; C89-A226 HydrophobicContact CB-CB 4.4Å; C89-A226 VanDerWaalsContact SG-CB 3.55Å; F101-A226 CarbonylContact C-O 3.57Å; F101-A226 WeakPolarHBondContact CA-O 3.4Å; V102-A226 HydrophobicContact CB-CB 4.26Å; V102-A226 PolarHBondContact N-O 3.33Å; V102-A226 PolarHBondContact O-N 3.03Å; L104-A226 HydrophobicContact CD1-CB 4.36Å; L104-A226 HydrophobicContact CD2-CB 4.13Å; L104-A226 HydrophobicContact CG-CB 4.24Å; L203-A226 HydrophobicContact CD1-CB 3.65Å
227	I	97.3	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.7	171.4	-60.9	162.9	0	0	0	106.9	N87 C89 F101 T229 F250 V257	N87-I227 PolarHBondContact O-N 3.3Å; C89-I227 PolarHBondContact N-O 2.97Å; F101-I227 HydrophobicContact CD1-CG1 4.04Å; F101-I227 HydrophobicContact CE1-CG1 4.12Å; F101-I227 HydrophobicContact CE1-CG2 4.3Å; I227-T229 HydrophobicContact CG2-CG2 4.1Å; I227-T229 PolarHBondContact O-N 3.18Å; I227-F250 HydrophobicContact CD1-CD2 3.97Å; I227-F250 HydrophobicContact CD1-CE2 3.46Å; I227-F250 VanDerWaalsContact CD1-CE2 3.46Å; I227-F250 HydrophobicContact CD1-CZ 3.95Å; I227-V257 HydrophobicContact CD1-CB 4.33Å; I227-V257 HydrophobicContact CD1-CG1 4.46Å; I227-V257 HydrophobicContact CD1-CG2 3.77Å; I227-V257 HydrophobicContact CG1-CG2 3.6Å
228	V	97.2	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.7	175.9	-174.8	0	0	0	0	108.4	C89 K97 P98 G99 D100 V102 L203	C89-V228 WeakPolarHBondContact O-CA 3.34Å; K97-V228 VanDerWaalsContact C-CG1 3.5Å; K97-V228 WeakPolarHBondContact O-CB 3.34Å; K97-V228 WeakPolarHBondContact O-CG1 3.18Å; P98-V228 CarbonylContact C-O 3.55Å; P98-V228 WeakPolarHBondContact CA-O 3.4Å; G99-V228 PolarHBondContact N-O 3.33Å; D100-V228 HydrophobicContact CB-CB 4.46Å; D100-V228 HydrophobicContact CB-CG2 4.2Å; D100-V228 PolarHBondContact O-N 2.78Å; V102-V228 HydrophobicContact CG2-CG2 4.13Å; L203-V228 HydrophobicContact CD2-CG2 3.86Å
229	T	96.5	Very high	95.3	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-24.8	-175.9	46.6	0	0	0	0	114.1	A88 C89 I227 V246 Q249 F250	A88-T229 HydrophobicContact CB-CG2 4.12Å; C89-T229 PolarHBondContact O-N 3.38Å; C89-T229 PolarHBondContact O-OG1 3.14Å; I227-T229 HydrophobicContact CG2-CG2 4.1Å; I227-T229 PolarHBondContact O-N 3.18Å; T229-V246 HydrophobicContact CG2-CG1 4.23Å; T229-Q249 HydrophobicContact CG2-CB 4.32Å; T229-Q249 HydrophobicContact CG2-CG 4.44Å; T229-Q249 WeakPolarHBondContact O-CB 3.29Å; T229-F250 HydrophobicContact CG2-CB 4.32Å
230	D	96.9	Very high	95.1	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	179	-170.4	55.3	86.6	0	0	0	109.8	G90 S91 D232 V241	G90-D230 WeakPolarHBondContact CA-OD1 3.46Å; S91-D230 WeakPolarHBondContact CB-O 3.44Å; S91-D230 PolarHBondContact N-O 3.4Å; D230-D232 VanDerWaalsContact OD1-CA 3.27Å; D230-D232 WeakPolarHBondContact OD1-CA 3.5Å; D230-D232 PolarHBondContact OD1-N 2.87Å; D230-V241 HydrophobicContact CB-CB 4.24Å; D230-V241 HydrophobicContact CB-CG2 4.16Å; D230-V241 VanDerWaalsContact CG-CG2 3.41Å; D230-V241 WeakPolarHBondContact OD1-CB 3.4Å; D230-V241 WeakPolarHBondContact OD1-CG2 3.39Å
231	F	97.3	Very high	94.9	Very high	22 Å²	22	32 Å²	32	10%	0.096	17%	0.17	C	C	.	.			trans	-104.6	30	174	-71.8	-70	0	0	0	112.5	S91 K96 K97 P98 C233 W234 K235 E238	S91-F231 CarbonylContact O-C 3.24Å; S91-F231 VanDerWaalsContact O-C 3.24Å; S91-F231 WeakPolarHBondContact O-CA 3.18Å; K96-F231 WeakPolarHBondContact O-CE1 3.32Å; K97-F231 HydrophobicContact CB-CZ 4.17Å; K97-F231 HydrophobicContact CG-CZ 4.05Å; P98-F231 HydrophobicContact CG-CD2 4.07Å; P98-F231 HydrophobicContact CG-CE2 3.91Å; P98-F231 HydrophobicContact CG-CZ 4.41Å; F231-C233 PolarHBondContact O-N 2.81Å; F231-C233 VanDerWaalsContact O-N 3.11Å; F231-W234 HydrophobicContact CD1-CZ2 4.13Å; F231-W234 PolarHBondContact O-NE1 3.09Å; F231-W234 VanDerWaalsContact O-NE1 3.09Å; F231-K235 HydrophobicContact CB-CD 4.01Å; F231-K235 HydrophobicContact CB-CG 4.32Å; F231-K235 HydrophobicContact CD1-CD 4.17Å; F231-K235 HydrophobicContact CD2-CD 3.97Å; F231-K235 HydrophobicContact CE2-CD 4.44Å; F231-K235 HydrophobicContact CG-CD 3.82Å; F231-E238 HydrophobicContact CD2-CG 4.46Å
232	D	97.9	Very high	94.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-115.3	-172	-172.9	49.1	0	0	0	110.9	L92 S193 I204 D230 V241	L92-D232 HydrophobicContact CD2-CB 4.29Å; S193-D232 WeakPolarHBondContact CB-OD2 3.27Å; S193-D232 PolarHBondContact OG-OD2 2.96Å; I204-D232 HydrophobicContact CG2-CB 3.89Å; D230-D232 VanDerWaalsContact OD1-CA 3.27Å; D230-D232 WeakPolarHBondContact OD1-CA 3.5Å; D230-D232 PolarHBondContact OD1-N 2.87Å; D232-V241 PolarHBondContact O-N 3.2Å
233	C	97.2	Very high	94.3	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.074	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.6	19.3	178.8	63.4	0	0	0	0	115.1	S188 R190 S193 F231 H240	S188-C233 PolarHBondContact O-SG 3.35Å; R190-C233 WeakPolarHBondContact CG-O 3.32Å; R190-C233 PolarHBondContact N-SG 2.91Å; S193-C233 VanDerWaalsContact CB-SG 3.58Å; F231-C233 PolarHBondContact O-N 2.81Å; F231-C233 VanDerWaalsContact O-N 3.11Å; C233-H240 HydrophobicContact CB-CB 4.07Å
234	W	96.5	Very high	94.1	Very high	26 Å²	26	44.3 Å²	44.3	10%	0.098	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-24	-179.6	63.7	-88.8	0	0	0	113.6	S91 K94 S193 L194 F231	S91-W234 PolarHBondContact O-NE1 3.43Å; K94-W234 HydrophobicContact CG-CH2 3.55Å; K94-W234 HydrophobicContact CG-CZ2 4.43Å; K94-W234 HydrophobicContact CG-CZ3 4.33Å; S193-W234 WeakPolarHBondContact OG-CB 3.46Å; S193-W234 PolarHBondContact OG-N 2.74Å; L194-W234 HydrophobicContact CD2-CB 3.99Å; L194-W234 HydrophobicContact CG-CB 4.42Å; F231-W234 HydrophobicContact CD1-CZ2 4.13Å; F231-W234 PolarHBondContact O-NE1 3.09Å; F231-W234 VanDerWaalsContact O-NE1 3.09Å
235	K	91.4	Very high	93.8	Very high	36 Å²	36	46.2 Å²	46.2	16%	0.157	25%	0.252	C	S	.	.			trans	-79.8	123.4	175	-69.7	-169.2	70.7	-172	0	110	F231 D237 E238	F231-K235 HydrophobicContact CB-CD 4.01Å; F231-K235 HydrophobicContact CB-CG 4.32Å; F231-K235 HydrophobicContact CD1-CD 4.17Å; F231-K235 HydrophobicContact CD2-CD 3.97Å; F231-K235 HydrophobicContact CE2-CD 4.44Å; F231-K235 HydrophobicContact CG-CD 3.82Å; K235-D237 WeakPolarHBondContact CE-OD1 3.39Å; K235-E238 HydrophobicContact CB-CB 3.92Å; K235-E238 HydrophobicContact CB-CG 3.92Å; K235-E238 HydrophobicContact CD-CB 4.48Å; K235-E238 HydrophobicContact CD-CG 3.71Å; K235-E238 HydrophobicContact CG-CG 4.41Å; K235-E238 IonicContact NZ-OE1 2.72Å; K235-E238 PolarHBondContact NZ-OE1 2.68Å
236	A	86.5	Confident	93.5	Very high	94 Å²	94	47.4 Å²	47.4	78%	0.777	26%	0.26	S	S	*	.	S	Bend	trans	-82.7	-18.6	177.9	0	0	0	0	0	112.9
237	D	88.4	Confident	93.2	Very high	128 Å²	128	50.4 Å²	50.4	68%	0.684	28%	0.275	S	S	*	.	S	Bend	trans	-100.8	4.9	-176.1	61.1	-34	0	0	0	113.6	K235	K235-D237 WeakPolarHBondContact CE-OD1 3.39Å
238	E	83.6	Confident	93	Very high	91 Å²	91	55.3 Å²	55.3	43%	0.425	30%	0.298	S	S	.	.	S	Bend	trans	-125.3	161.5	177.7	-63.2	-83.7	-168	0	0	110.3	F231 K235 H240	F231-E238 HydrophobicContact CD2-CG 4.46Å; K235-E238 HydrophobicContact CB-CB 3.92Å; K235-E238 HydrophobicContact CB-CG 3.92Å; K235-E238 HydrophobicContact CD-CB 4.48Å; K235-E238 HydrophobicContact CD-CG 3.71Å; K235-E238 HydrophobicContact CG-CG 4.41Å; K235-E238 IonicContact NZ-OE1 2.72Å; K235-E238 PolarHBondContact NZ-OE1 2.68Å; E238-H240 PolarHBondContact O-N 3.02Å
239	E	86.1	Confident	92.9	Very high	147 Å²	147	57 Å²	57	69%	0.687	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-64.1	133.3	171.6	-66.3	-175.1	174.6	0	0	110.8	M245	E239-M245 HydrophobicContact CB-CE 3.72Å; E239-M245 HydrophobicContact CB-SD 3.72Å
240	H	94.4	Very high	92.7	Very high	83 Å²	83	57.9 Å²	57.9	38%	0.384	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.8	145.7	175.9	-53.8	138.6	0	0	0	110.5	C233 E238 C242 M245	C233-H240 HydrophobicContact CB-CB 4.07Å; E238-H240 PolarHBondContact O-N 3.02Å; H240-C242 PolarHBondContact O-N 3.28Å; H240-M245 VanDerWaalsContact O-SD 3.34Å
241	V	94.3	Very high	92.4	Very high	16 Å²	16	66 Å²	66	10%	0.097	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-47.8	131.4	-178.5	64.9	0	0	0	0	113.2	F187 D230 D232 V246	F187-V241 HydrophobicContact CB-CG1 3.78Å; F187-V241 HydrophobicContact CD1-CB 4.49Å; F187-V241 HydrophobicContact CD1-CG1 3.78Å; F187-V241 HydrophobicContact CD1-CG2 3.84Å; F187-V241 HydrophobicContact CD2-CG1 4.18Å; F187-V241 HydrophobicContact CD2-CG2 4.47Å; F187-V241 HydrophobicContact CE1-CG1 4.42Å; F187-V241 HydrophobicContact CE1-CG2 3.61Å; F187-V241 HydrophobicContact CE2-CG2 4.27Å; F187-V241 HydrophobicContact CG-CG1 3.65Å; F187-V241 HydrophobicContact CG-CG2 4.28Å; F187-V241 HydrophobicContact CZ-CG2 3.85Å; D230-V241 HydrophobicContact CB-CB 4.24Å; D230-V241 HydrophobicContact CB-CG2 4.16Å; D230-V241 VanDerWaalsContact CG-CG2 3.41Å; D230-V241 WeakPolarHBondContact OD1-CB 3.4Å; D230-V241 WeakPolarHBondContact OD1-CG2 3.39Å; D232-V241 PolarHBondContact O-N 3.2Å; V241-V246 HydrophobicContact CG2-CG2 3.73Å
242	C	93.4	Very high	92.2	Very high	50 Å²	50	71.1 Å²	71.1	34%	0.338	36%	0.362	S	S	.	.			trans	-142.1	167.1	168.6	76.1	0	0	0	0	109.2	H240 D244 M245 V246	H240-C242 PolarHBondContact O-N 3.28Å; C242-D244 VanDerWaalsContact C-N 3.25Å; C242-D244 PolarHBondContact O-N 3.15Å; C242-M245 PolarHBondContact O-N 3.25Å; C242-V246 WeakPolarHBondContact O-CG2 3.05Å; C242-V246 PolarHBondContact O-N 3.02Å; C242-V246 VanDerWaalsContact O-N 3.17Å
243	V	92.7	Very high	92	Very high	91 Å²	91	71.2 Å²	71.2	55%	0.552	36%	0.363	S	S	*	.	H	α-helix	trans	-58.2	-40	-177.7	176.7	0	0	0	0	111.6	F187 V246 L247	F187-V243 HydrophobicContact CE2-CG2 4.3Å; V243-V246 PolarHBondContact O-N 3.38Å; V243-L247 HydrophobicContact CG1-CD1 3.82Å; V243-L247 HydrophobicContact CG1-CG 4.18Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.45Å
244	D	93.7	Very high	91.6	Very high	121 Å²	121	71.9 Å²	71.9	65%	0.647	37%	0.367	S	S	*	.	H	α-helix	trans	-65.1	-44.2	-177.6	-66.9	-25.1	0	0	0	112.1	C242 V246 L247 E248	C242-D244 VanDerWaalsContact C-N 3.25Å; C242-D244 PolarHBondContact O-N 3.15Å; D244-V246 VanDerWaalsContact C-N 3.35Å; D244-V246 PolarHBondContact O-N 3.49Å; D244-L247 PolarHBondContact O-N 2.91Å; D244-E248 WeakPolarHBondContact O-CB 3.33Å; D244-E248 PolarHBondContact O-N 3.26Å
245	M	92.3	Very high	91.4	Very high	40 Å²	40	71.8 Å²	71.8	20%	0.197	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-46.1	174.9	-72.5	177.8	76.5	0	0	111.5	E239 H240 C242 L247 E248 Q249	E239-M245 HydrophobicContact CB-CE 3.72Å; E239-M245 HydrophobicContact CB-SD 3.72Å; H240-M245 VanDerWaalsContact O-SD 3.34Å; C242-M245 PolarHBondContact O-N 3.25Å; M245-L247 PolarHBondContact O-N 2.81Å; M245-E248 PolarHBondContact O-N 2.67Å; M245-Q249 PolarHBondContact O-N 3.09Å
246	V	92.2	Very high	91.6	Very high	26 Å²	26	72.6 Å²	72.6	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-49.5	178.7	175	0	0	0	0	110.2	A88 F187 T229 V241 C242 V243 D244 F250	A88-V246 HydrophobicContact CB-CG1 4.31Å; F187-V246 HydrophobicContact CZ-CG2 4.29Å; T229-V246 HydrophobicContact CG2-CG1 4.23Å; V241-V246 HydrophobicContact CG2-CG2 3.73Å; C242-V246 WeakPolarHBondContact O-CG2 3.05Å; C242-V246 PolarHBondContact O-N 3.02Å; C242-V246 VanDerWaalsContact O-N 3.17Å; V243-V246 PolarHBondContact O-N 3.38Å; D244-V246 VanDerWaalsContact C-N 3.35Å; D244-V246 PolarHBondContact O-N 3.49Å; V246-F250 WeakPolarHBondContact O-CB 3.49Å; V246-F250 PolarHBondContact O-N 3.33Å
247	L	91.5	Very high	91.9	Very high	63 Å²	63	68.1 Å²	68.1	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-40.7	-179.3	-70	177.5	0	0	0	112.5	V243 D244 M245 R251	V243-L247 HydrophobicContact CG1-CD1 3.82Å; V243-L247 HydrophobicContact CG1-CG 4.18Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.45Å; D244-L247 PolarHBondContact O-N 2.91Å; M245-L247 PolarHBondContact O-N 2.81Å; L247-R251 VanDerWaalsContact O-CG 3.25Å; L247-R251 WeakPolarHBondContact O-CG 3.2Å; L247-R251 PolarHBondContact O-N 3.26Å
248	E	93.9	Very high	92.1	Very high	103 Å²	103	65.9 Å²	65.9	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-52	178.7	-174.5	-176.4	162.3	0	0	111.3	D244 M245 F250 R251 K252	D244-E248 WeakPolarHBondContact O-CB 3.33Å; D244-E248 PolarHBondContact O-N 3.26Å; M245-E248 PolarHBondContact O-N 2.67Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-F250 PolarHBondContact O-N 3.05Å; E248-R251 PolarHBondContact O-N 2.86Å; E248-K252 WeakPolarHBondContact O-CG 3.37Å; E248-K252 PolarHBondContact O-N 3.07Å; E248-K252 WeakPolarHBondContact OE1-CE 3.48Å; E248-K252 IonicContact OE1-NZ 3.98Å; E248-K252 PolarHBondContact OE1-NZ 3.01Å
249	Q	94.6	Very high	92.7	Very high	35 Å²	35	66 Å²	66	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-39	-180	-173.5	55.3	53.4	0	0	111.3	P98 T229 M245 R251 K252 S253	P98-Q249 HydrophobicContact CB-CG 4.08Å; T229-Q249 HydrophobicContact CG2-CB 4.32Å; T229-Q249 HydrophobicContact CG2-CG 4.44Å; T229-Q249 WeakPolarHBondContact O-CB 3.29Å; M245-Q249 PolarHBondContact O-N 3.09Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.45Å; Q249-K252 WeakPolarHBondContact O-CB 3.15Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.15Å; Q249-S253 PolarHBondContact NE2-OG 2.94Å; Q249-S253 VanDerWaalsContact NE2-OG 3.09Å; Q249-S253 WeakPolarHBondContact O-CB 3.39Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 PolarHBondContact O-OG 2.86Å
250	F	91.3	Very high	93.2	Very high	24 Å²	24	59 Å²	59	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-45.1	176.3	-169	-76.9	0	0	0	111.7	S12 A88 I227 T229 V246 E248 K252 S253 V254	S12-F250 WeakPolarHBondContact O-CE1 3.19Å; S12-F250 WeakPolarHBondContact O-CZ 3.47Å; A88-F250 HydrophobicContact CB-CD2 4.06Å; A88-F250 HydrophobicContact CB-CE2 4.4Å; I227-F250 HydrophobicContact CD1-CD2 3.97Å; I227-F250 HydrophobicContact CD1-CE2 3.46Å; I227-F250 VanDerWaalsContact CD1-CE2 3.46Å; I227-F250 HydrophobicContact CD1-CZ 3.95Å; T229-F250 HydrophobicContact CG2-CB 4.32Å; V246-F250 WeakPolarHBondContact O-CB 3.49Å; V246-F250 PolarHBondContact O-N 3.33Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-F250 PolarHBondContact O-N 3.05Å; F250-K252 VanDerWaalsContact C-N 3.27Å; F250-K252 PolarHBondContact O-N 2.93Å; F250-S253 PolarHBondContact O-N 3.48Å; F250-S253 VanDerWaalsContact O-N 3.09Å; F250-V254 HydrophobicContact CD1-CB 4.08Å; F250-V254 HydrophobicContact CD1-CG2 4.46Å; F250-V254 HydrophobicContact CE1-CB 3.72Å; F250-V254 HydrophobicContact CE1-CG2 3.63Å; F250-V254 HydrophobicContact CZ-CG2 4.25Å; F250-V254 WeakPolarHBondContact O-CB 3.42Å; F250-V254 PolarHBondContact O-N 2.88Å
251	R	90.7	Very high	93.3	Very high	174 Å²	174	55 Å²	55	66%	0.657	27%	0.273	S	S	*	.	H	α-helix	trans	-59.8	-36.1	176.8	-73.9	173.4	-164.4	132.2	1.2	112.6	L247 E248 Q249 S253	L247-R251 VanDerWaalsContact O-CG 3.25Å; L247-R251 WeakPolarHBondContact O-CG 3.2Å; L247-R251 PolarHBondContact O-N 3.26Å; E248-R251 PolarHBondContact O-N 2.86Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.45Å; R251-S253 VanDerWaalsContact C-N 3.35Å
252	K	93.5	Very high	93.3	Very high	130 Å²	130	56.2 Å²	56.2	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-69.2	-33.5	176	-65.6	172	-173.6	167.9	0	112.1	E248 Q249 F250	E248-K252 WeakPolarHBondContact O-CG 3.37Å; E248-K252 PolarHBondContact O-N 3.07Å; E248-K252 WeakPolarHBondContact OE1-CE 3.48Å; E248-K252 IonicContact OE1-NZ 3.98Å; E248-K252 PolarHBondContact OE1-NZ 3.01Å; Q249-K252 WeakPolarHBondContact O-CB 3.15Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.15Å; F250-K252 VanDerWaalsContact C-N 3.27Å; F250-K252 PolarHBondContact O-N 2.93Å
253	S	93.5	Very high	93.5	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-96.2	-22	-172	-68.3	0	0	0	0	115	Q249 F250 R251 G255 Q256 V257	Q249-S253 PolarHBondContact NE2-OG 2.94Å; Q249-S253 VanDerWaalsContact NE2-OG 3.09Å; Q249-S253 WeakPolarHBondContact O-CB 3.39Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 PolarHBondContact O-OG 2.86Å; F250-S253 PolarHBondContact O-N 3.48Å; F250-S253 VanDerWaalsContact O-N 3.09Å; R251-S253 VanDerWaalsContact C-N 3.35Å; S253-G255 VanDerWaalsContact C-N 3.31Å; S253-G255 PolarHBondContact O-N 3.27Å; S253-Q256 PolarHBondContact O-N 3.46Å; S253-V257 PolarHBondContact O-N 2.79Å
254	V	90	Very high	93.8	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-37	-171.5	68.7	0	0	0	0	113.3	F14 F250 Q256 V257 R258	F14-V254 HydrophobicContact CE2-CG2 4.31Å; F250-V254 HydrophobicContact CD1-CB 4.08Å; F250-V254 HydrophobicContact CD1-CG2 4.46Å; F250-V254 HydrophobicContact CE1-CB 3.72Å; F250-V254 HydrophobicContact CE1-CG2 3.63Å; F250-V254 HydrophobicContact CZ-CG2 4.25Å; F250-V254 WeakPolarHBondContact O-CB 3.42Å; F250-V254 PolarHBondContact O-N 2.88Å; V254-Q256 VanDerWaalsContact C-N 3.31Å; V254-Q256 PolarHBondContact O-N 3.37Å; V254-V257 PolarHBondContact O-N 2.81Å; V254-R258 WeakPolarHBondContact O-CB 3.31Å; V254-R258 PolarHBondContact O-N 3Å
255	G	91.9	Very high	94	Very high	24 Å²	24	44.5 Å²	44.5	25%	0.247	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-44.1	178.3	0	0	0	0	0	112	S253 R258 E259	S253-G255 VanDerWaalsContact C-N 3.31Å; S253-G255 PolarHBondContact O-N 3.27Å; G255-R258 WeakPolarHBondContact O-CB 3.42Å; G255-R258 PolarHBondContact O-N 2.94Å; G255-E259 WeakPolarHBondContact O-CG 3.42Å; G255-E259 PolarHBondContact O-N 2.71Å; G255-E259 VanDerWaalsContact O-N 3.14Å
256	Q	94.6	Very high	94.2	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-43.4	-179.9	-167	66.9	80.7	0	0	112	F101 L155 S253 V254 R258 E259 I260	F101-Q256 HydrophobicContact CE2-CB 4.11Å; F101-Q256 HydrophobicContact CE2-CG 3.7Å; F101-Q256 HydrophobicContact CZ-CB 3.81Å; F101-Q256 HydrophobicContact CZ-CG 3.95Å; L155-Q256 HydrophobicContact CD1-CG 3.93Å; L155-Q256 VanDerWaalsContact CD2-CD 3.45Å; L155-Q256 HydrophobicContact CD2-CG 4.13Å; S253-Q256 PolarHBondContact O-N 3.46Å; V254-Q256 VanDerWaalsContact C-N 3.31Å; V254-Q256 PolarHBondContact O-N 3.37Å; Q256-R258 VanDerWaalsContact C-N 3.32Å; Q256-R258 PolarHBondContact O-N 2.88Å; Q256-E259 PolarHBondContact NE2-OE2 2.88Å; Q256-E259 PolarHBondContact O-N 2.84Å; Q256-I260 WeakPolarHBondContact O-CG1 3.46Å; Q256-I260 PolarHBondContact O-N 2.53Å
257	V	93.9	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-39.2	177	179.6	0	0	0	0	111.6	F14 T86 F101 I225 I227 S253 V254 E259 I260 L261	F14-V257 HydrophobicContact CZ-CG1 4.03Å; T86-V257 HydrophobicContact CG2-CG1 3.6Å; F101-V257 HydrophobicContact CD1-CG2 3.4Å; F101-V257 VanDerWaalsContact CD1-CG2 3.4Å; F101-V257 HydrophobicContact CE1-CG2 3.11Å; F101-V257 HydrophobicContact CG-CG2 4.38Å; F101-V257 HydrophobicContact CZ-CG2 3.9Å; I225-V257 HydrophobicContact CG2-CG1 3.87Å; I227-V257 HydrophobicContact CD1-CB 4.33Å; I227-V257 HydrophobicContact CD1-CG1 4.46Å; I227-V257 HydrophobicContact CD1-CG2 3.77Å; I227-V257 HydrophobicContact CG1-CG2 3.6Å; S253-V257 PolarHBondContact O-N 2.79Å; V254-V257 PolarHBondContact O-N 2.81Å; V257-E259 VanDerWaalsContact C-N 3.31Å; V257-E259 PolarHBondContact O-N 2.71Å; V257-I260 PolarHBondContact O-N 2.92Å; V257-L261 HydrophobicContact CG1-CD1 4.24Å; V257-L261 HydrophobicContact CG1-CG 4.22Å; V257-L261 WeakPolarHBondContact O-CG 3.44Å; V257-L261 PolarHBondContact O-N 2.95Å
258	R	92.9	Very high	94.8	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-56.8	-46.4	174.2	179.3	-179.9	58.2	-178.8	-4.8	111	F14 D16 L19 V254 G255 Q256 I260 L261 L262	F14-R258 HydrophobicContact CE1-CB 4.22Å; D16-R258 IonicContact OD2-NH1 3.64Å; D16-R258 PolarHBondContact OD2-NH1 2.91Å; L19-R258 HydrophobicContact CD1-CG 3.67Å; V254-R258 WeakPolarHBondContact O-CB 3.31Å; V254-R258 PolarHBondContact O-N 3Å; G255-R258 WeakPolarHBondContact O-CB 3.42Å; G255-R258 PolarHBondContact O-N 2.94Å; Q256-R258 VanDerWaalsContact C-N 3.32Å; Q256-R258 PolarHBondContact O-N 2.88Å; R258-I260 PolarHBondContact O-N 3.01Å; R258-L261 PolarHBondContact O-N 3.1Å; R258-L262 HydrophobicContact CG-CD1 4.09Å; R258-L262 HydrophobicContact CG-CG 4.44Å; R258-L262 WeakPolarHBondContact O-CB 3.31Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.42Å; R258-L262 PolarHBondContact O-N 3.41Å
259	E	94.7	Very high	95	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-44.7	175.9	-69.9	177.4	174.7	0	0	112.4	L153 G255 Q256 V257 L261 L262 E263	L153-E259 HydrophobicContact CD1-CB 3.81Å; L153-E259 HydrophobicContact CD2-CB 4.42Å; G255-E259 WeakPolarHBondContact O-CG 3.42Å; G255-E259 PolarHBondContact O-N 2.71Å; G255-E259 VanDerWaalsContact O-N 3.14Å; Q256-E259 PolarHBondContact NE2-OE2 2.88Å; Q256-E259 PolarHBondContact O-N 2.84Å; V257-E259 VanDerWaalsContact C-N 3.31Å; V257-E259 PolarHBondContact O-N 2.71Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.01Å; E259-L262 PolarHBondContact O-N 3.16Å; E259-E263 WeakPolarHBondContact O-CB 3.48Å; E259-E263 PolarHBondContact O-N 2.78Å
260	I	96.8	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-47.6	176.6	-65.7	167	0	0	0	110.4	F101 L146 A149 L153 L155 V173 I225 Q256 V257 R258 E263 A264	F101-I260 HydrophobicContact CD2-CD1 4.36Å; L146-I260 HydrophobicContact CD2-CG2 4.18Å; A149-I260 HydrophobicContact CB-CG2 4.2Å; A149-I260 WeakPolarHBondContact CB-O 3.42Å; L153-I260 HydrophobicContact CD1-CB 4.38Å; L153-I260 HydrophobicContact CD1-CG1 3.87Å; L155-I260 HydrophobicContact CD1-CD1 3.59Å; L155-I260 HydrophobicContact CD1-CG1 3.76Å; V173-I260 HydrophobicContact CG2-CD1 4.27Å; I225-I260 HydrophobicContact CD1-CD1 3.81Å; I225-I260 HydrophobicContact CD1-CG2 3.94Å; Q256-I260 WeakPolarHBondContact O-CG1 3.46Å; Q256-I260 PolarHBondContact O-N 2.53Å; V257-I260 PolarHBondContact O-N 2.92Å; R258-I260 PolarHBondContact O-N 3.01Å; I260-E263 PolarHBondContact O-N 2.8Å; I260-A264 VanDerWaalsContact O-CB 3.28Å; I260-A264 WeakPolarHBondContact O-CB 3.37Å; I260-A264 PolarHBondContact O-N 3.2Å
261	L	96	Very high	95.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-44.2	179.7	-69.4	-176.7	0	0	0	112.2	I8 F14 L84 T86 L146 I225 V257 R258 E259 E263 A264 V265	I8-L261 HydrophobicContact CG2-CD1 3.99Å; F14-L261 HydrophobicContact CD1-CD1 4.32Å; F14-L261 HydrophobicContact CE1-CD1 3.39Å; F14-L261 HydrophobicContact CZ-CD1 3.6Å; L84-L261 HydrophobicContact CB-CD2 3.82Å; L84-L261 HydrophobicContact CD1-CD2 4.02Å; T86-L261 HydrophobicContact CG2-CD1 3.56Å; T86-L261 HydrophobicContact CG2-CG 4.48Å; L146-L261 HydrophobicContact CD2-CD2 3.92Å; I225-L261 HydrophobicContact CG2-CD2 4.17Å; V257-L261 HydrophobicContact CG1-CD1 4.24Å; V257-L261 HydrophobicContact CG1-CG 4.22Å; V257-L261 WeakPolarHBondContact O-CG 3.44Å; V257-L261 PolarHBondContact O-N 2.95Å; R258-L261 PolarHBondContact O-N 3.1Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.01Å; L261-E263 VanDerWaalsContact C-N 3.29Å; L261-E263 PolarHBondContact O-N 3.48Å; L261-A264 PolarHBondContact O-N 3.19Å; L261-V265 VanDerWaalsContact O-CG2 3.3Å; L261-V265 WeakPolarHBondContact O-CG2 3.28Å; L261-V265 PolarHBondContact O-N 2.84Å
262	L	95.2	Very high	95.6	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-36.5	178.4	-68.8	175.9	0	0	0	112.1	L19 V44 R258 E259 R266	L19-L262 HydrophobicContact CD1-CD1 4.23Å; L19-L262 HydrophobicContact CD1-CD2 3.71Å; L19-L262 HydrophobicContact CD1-CG 4.14Å; L19-L262 HydrophobicContact CG-CD2 4.43Å; V44-L262 HydrophobicContact CB-CD2 4.18Å; V44-L262 HydrophobicContact CG1-CB 4.22Å; V44-L262 HydrophobicContact CG1-CD2 3.44Å; V44-L262 VanDerWaalsContact CG1-CD2 3.44Å; V44-L262 HydrophobicContact CG1-CG 4.45Å; V44-L262 HydrophobicContact CG2-CD2 3.63Å; R258-L262 HydrophobicContact CG-CD1 4.09Å; R258-L262 HydrophobicContact CG-CG 4.44Å; R258-L262 WeakPolarHBondContact O-CB 3.31Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.42Å; R258-L262 PolarHBondContact O-N 3.41Å; E259-L262 PolarHBondContact O-N 3.16Å; L262-R266 PolarHBondContact O-N 3.14Å
263	E	97.8	Very high	95.8	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-74	-38.3	174.2	-179.3	58.2	-169.9	0	0	112.5	K45 A149 N152 L153 E259 I260 L261 V265 R266 L267	K45-E263 IonicContact NZ-OE2 3.78Å; K45-E263 PolarHBondContact NZ-OE2 3.33Å; A149-E263 HydrophobicContact CB-CB 4.01Å; A149-E263 HydrophobicContact CB-CG 3.88Å; N152-E263 HydrophobicContact CB-CG 4.14Å; N152-E263 PolarHBondContact ND2-OE1 3.29Å; L153-E263 HydrophobicContact CD1-CB 4.41Å; E259-E263 WeakPolarHBondContact O-CB 3.48Å; E259-E263 PolarHBondContact O-N 2.78Å; I260-E263 PolarHBondContact O-N 2.8Å; L261-E263 VanDerWaalsContact C-N 3.29Å; L261-E263 PolarHBondContact O-N 3.48Å; E263-V265 PolarHBondContact O-N 2.95Å; E263-R266 WeakPolarHBondContact O-CB 3.37Å; E263-R266 PolarHBondContact O-N 3.28Å; E263-R266 IonicContact OE1-CZ 3.81Å; E263-R266 IonicContact OE1-NE 2.79Å; E263-R266 PolarHBondContact OE1-NE 3.17Å; E263-R266 VanDerWaalsContact OE1-NE 3.12Å; E263-R266 IonicContact OE1-NH2 3.16Å; E263-R266 PolarHBondContact OE1-NH2 3.4Å; E263-R266 IonicContact OE2-CZ 2.74Å; E263-R266 IonicContact OE2-NE 2.88Å; E263-R266 PolarHBondContact OE2-NE 2.99Å; E263-R266 IonicContact OE2-NH2 2.75Å; E263-L267 HydrophobicContact CG-CD1 4.31Å; E263-L267 WeakPolarHBondContact O-CG 3.39Å; E263-L267 PolarHBondContact O-N 3.31Å
264	A	98.3	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174.4	0	0	0	0	0	111.6	L84 V145 L146 A149 I260 L261 R266 L267 I268	L84-A264 HydrophobicContact CD1-CB 3.89Å; V145-A264 HydrophobicContact CG1-CB 3.99Å; V145-A264 WeakPolarHBondContact CG1-O 3.21Å; L146-A264 HydrophobicContact CD2-CB 3.78Å; A149-A264 HydrophobicContact CB-CB 3.95Å; I260-A264 VanDerWaalsContact O-CB 3.28Å; I260-A264 WeakPolarHBondContact O-CB 3.37Å; I260-A264 PolarHBondContact O-N 3.2Å; L261-A264 PolarHBondContact O-N 3.19Å; A264-R266 VanDerWaalsContact C-N 3.31Å; A264-R266 PolarHBondContact O-N 3.13Å; A264-L267 PolarHBondContact O-N 3.11Å; A264-L267 VanDerWaalsContact O-N 3.16Å; A264-I268 WeakPolarHBondContact O-CG1 3.25Å; A264-I268 PolarHBondContact O-N 3.08Å
265	V	97.7	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-45.5	174.9	169.4	0	0	0	0	111.5	V6 I8 V44 V47 C49 L84 L261 E263 L267 I268 G269	V6-V265 HydrophobicContact CB-CG2 4.21Å; V6-V265 HydrophobicContact CG1-CG2 3.97Å; V6-V265 HydrophobicContact CG2-CG1 4.38Å; V6-V265 HydrophobicContact CG2-CG2 4.46Å; I8-V265 HydrophobicContact CD1-CG2 4.18Å; V44-V265 HydrophobicContact CB-CB 4.38Å; V44-V265 HydrophobicContact CB-CG1 3.77Å; V44-V265 HydrophobicContact CG1-CB 3.98Å; V44-V265 HydrophobicContact CG1-CG1 3.82Å; V47-V265 HydrophobicContact CB-CG1 3.68Å; V47-V265 HydrophobicContact CG1-CG1 3.89Å; V47-V265 HydrophobicContact CG2-CG1 4.2Å; C49-V265 VanDerWaalsContact SG-CG1 3.51Å; L84-V265 HydrophobicContact CD1-CG2 4.16Å; L261-V265 VanDerWaalsContact O-CG2 3.3Å; L261-V265 WeakPolarHBondContact O-CG2 3.28Å; L261-V265 PolarHBondContact O-N 2.84Å; E263-V265 PolarHBondContact O-N 2.95Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 3.05Å; V265-I268 PolarHBondContact O-N 2.76Å; V265-G269 PolarHBondContact O-N 3.43Å
266	R	97.4	Very high	96.7	Very high	89 Å²	89	42.5 Å²	42.5	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-58.9	-44.2	176.9	-164.1	-166.6	63.1	79.2	-4.8	112	K45 L262 E263 A264 G269 A270	K45-R266 HydrophobicContact CB-CB 4.4Å; K45-R266 HydrophobicContact CB-CG 4.1Å; K45-R266 HydrophobicContact CD-CB 3.85Å; K45-R266 HydrophobicContact CD-CG 3.75Å; L262-R266 PolarHBondContact O-N 3.14Å; E263-R266 WeakPolarHBondContact O-CB 3.37Å; E263-R266 PolarHBondContact O-N 3.28Å; E263-R266 IonicContact OE1-CZ 3.81Å; E263-R266 IonicContact OE1-NE 2.79Å; E263-R266 PolarHBondContact OE1-NE 3.17Å; E263-R266 VanDerWaalsContact OE1-NE 3.12Å; E263-R266 IonicContact OE1-NH2 3.16Å; E263-R266 PolarHBondContact OE1-NH2 3.4Å; E263-R266 IonicContact OE2-CZ 2.74Å; E263-R266 IonicContact OE2-NE 2.88Å; E263-R266 PolarHBondContact OE2-NE 2.99Å; E263-R266 IonicContact OE2-NH2 2.75Å; A264-R266 VanDerWaalsContact C-N 3.31Å; A264-R266 PolarHBondContact O-N 3.13Å; R266-G269 PolarHBondContact O-N 2.9Å; R266-A270 PolarHBondContact O-N 2.94Å
267	L	98.3	Very high	96.9	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-39.8	180	-71.5	172.6	0	0	0	111.5	V145 K148 A149 E263 A264 V265 A270	V145-L267 HydrophobicContact CG1-CB 3.66Å; V145-L267 HydrophobicContact CG1-CD1 4.24Å; K148-L267 HydrophobicContact CB-CD1 4.17Å; K148-L267 HydrophobicContact CD-CD1 4.16Å; K148-L267 HydrophobicContact CD-CD2 4.38Å; K148-L267 HydrophobicContact CG-CD1 3.95Å; A149-L267 HydrophobicContact CB-CD1 4.07Å; E263-L267 HydrophobicContact CG-CD1 4.31Å; E263-L267 WeakPolarHBondContact O-CG 3.39Å; E263-L267 PolarHBondContact O-N 3.31Å; A264-L267 PolarHBondContact O-N 3.11Å; A264-L267 VanDerWaalsContact O-N 3.16Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 3.05Å; L267-A270 PolarHBondContact O-N 2.88Å
268	I	98.5	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-49.2	172.7	-69.3	169.5	0	0	0	109.9	V4 V6 H82 L84 T142 V145 A264 V265 A270 C271 W273	V4-I268 HydrophobicContact CB-CG2 4.34Å; V4-I268 HydrophobicContact CG2-CG2 4.32Å; V6-I268 HydrophobicContact CG1-CD1 4.39Å; V6-I268 HydrophobicContact CG2-CB 4.35Å; V6-I268 HydrophobicContact CG2-CD1 4.05Å; V6-I268 HydrophobicContact CG2-CG2 3.91Å; H82-I268 HydrophobicContact CB-CD1 4.35Å; L84-I268 HydrophobicContact CD1-CD1 4.18Å; L84-I268 HydrophobicContact CD2-CD1 4.3Å; L84-I268 HydrophobicContact CG-CD1 4.43Å; T142-I268 HydrophobicContact CG2-CD1 4.4Å; V145-I268 HydrophobicContact CG1-CG1 3.98Å; A264-I268 WeakPolarHBondContact O-CG1 3.25Å; A264-I268 PolarHBondContact O-N 3.08Å; V265-I268 PolarHBondContact O-N 2.76Å; I268-A270 PolarHBondContact O-N 2.82Å; I268-A270 VanDerWaalsContact O-N 3.16Å; I268-C271 PolarHBondContact O-N 2.82Å; I268-W273 HydrophobicContact CB-CZ2 4.38Å; I268-W273 HydrophobicContact CG1-CZ2 3.99Å; I268-W273 HydrophobicContact CG2-CZ2 4.26Å; I268-W273 PolarHBondContact O-NE1 3.25Å
269	G	97.7	Very high	97.4	Very high	35 Å²	35	45.4 Å²	45.4	36%	0.361	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-16.1	179.5	0	0	0	0	0	115.8	V265 R266	V265-G269 PolarHBondContact O-N 3.43Å; R266-G269 PolarHBondContact O-N 2.9Å
270	A	96.8	Very high	97.6	Very high	74 Å²	74	42.6 Å²	42.6	61%	0.612	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.7	179.3	0	0	0	0	0	113.6	R266 L267 I268	R266-A270 PolarHBondContact O-N 2.94Å; L267-A270 PolarHBondContact O-N 2.88Å; I268-A270 PolarHBondContact O-N 2.82Å; I268-A270 VanDerWaalsContact O-N 3.16Å
271	C	95.2	Very high	97.6	Very high	64 Å²	64	48.7 Å²	48.7	43%	0.432	27%	0.267	S	S	.	.	S	Bend	trans	-111.8	155.7	-177.8	-66.5	0	0	0	0	111.5	I268 W273	I268-C271 PolarHBondContact O-N 2.82Å; C271-W273 VanDerWaalsContact O-CD1 3.27Å
272	D	97.1	Very high	97.7	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	29%	0.288	S	S	.	.			trans	-90.8	119.2	170.5	-178.1	18.8	0	0	0	110.5	T274	D272-T274 WeakPolarHBondContact OD1-CB 3.5Å; D272-T274 PolarHBondContact OD1-N 2.85Å; D272-T274 VanDerWaalsContact OD1-N 3.13Å; D272-T274 PolarHBondContact OD1-OG1 2.89Å
273	W	98.3	Very high	97.9	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.023	29%	0.291	C	S	.	.			trans	-104	10.7	-176.1	-67.8	85.6	0	0	0	113.3	V4 H82 E141 V145 I268 C271 K275 T276 I277	V4-W273 HydrophobicContact CG1-CB 4.13Å; V4-W273 HydrophobicContact CG1-CG 4.06Å; H82-W273 AromaticContact CE1-CD2 3.5Å; H82-W273 VanDerWaalsContact CE1-CD2 3.5Å; H82-W273 AromaticContact CE1-CE2 3.9Å; H82-W273 AromaticContact CE1-CE3 3.79Å; H82-W273 AromaticContact CE1-CG 3.66Å; H82-W273 AromaticContact NE2-CD2 3.2Å; H82-W273 AromaticContact NE2-CE2 3.48Å; H82-W273 AromaticContact NE2-CE3 3.13Å; H82-W273 AromaticContact NE2-CG 3.88Å; H82-W273 AromaticContact NE2-CH2 3.62Å; H82-W273 AromaticContact NE2-CZ2 3.7Å; H82-W273 AromaticContact NE2-CZ3 3.34Å; H82-W273 VanDerWaalsContact NE2-CZ3 3.34Å; H82-W273 WeakPolarHBondContact NE2-CZ3 3.24Å; E141-W273 HydrophobicContact CB-CH2 3.86Å; E141-W273 HydrophobicContact CB-CZ3 3.62Å; V145-W273 HydrophobicContact CG2-CH2 4.31Å; V145-W273 HydrophobicContact CG2-CZ2 4.13Å; I268-W273 HydrophobicContact CB-CZ2 4.38Å; I268-W273 HydrophobicContact CG1-CZ2 3.99Å; I268-W273 HydrophobicContact CG2-CZ2 4.26Å; I268-W273 PolarHBondContact O-NE1 3.25Å; C271-W273 VanDerWaalsContact O-CD1 3.27Å; W273-K275 PolarHBondContact O-N 3.22Å; W273-T276 HydrophobicContact CE3-CG2 3.96Å; W273-T276 HydrophobicContact CZ3-CG2 4.2Å; W273-T276 PolarHBondContact O-N 2.88Å; W273-T276 VanDerWaalsContact O-N 3.17Å; W273-I277 HydrophobicContact CB-CD1 3.76Å; W273-I277 HydrophobicContact CB-CG1 4.12Å; W273-I277 WeakPolarHBondContact O-CB 3.04Å; W273-I277 WeakPolarHBondContact O-CG1 3.38Å; W273-I277 PolarHBondContact O-N 3.17Å
274	T	97.9	Very high	97.9	Very high	43 Å²	43	51.8 Å²	51.8	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-54.9	-50.1	-170.8	-59	0	0	0	0	111.9	S2 D272 T276 I277 E278	S2-T274 WeakPolarHBondContact CB-OG1 3.4Å; S2-T274 PolarHBondContact N-OG1 2.91Å; S2-T274 WeakPolarHBondContact OG-CA 3.32Å; S2-T274 PolarHBondContact OG-N 2.86Å; S2-T274 VanDerWaalsContact OG-N 3.1Å; S2-T274 PolarHBondContact OG-OG1 2.67Å; D272-T274 WeakPolarHBondContact OD1-CB 3.5Å; D272-T274 PolarHBondContact OD1-N 2.85Å; D272-T274 VanDerWaalsContact OD1-N 3.13Å; D272-T274 PolarHBondContact OD1-OG1 2.89Å; T274-T276 PolarHBondContact O-N 3.08Å; T274-I277 PolarHBondContact O-N 2.67Å; T274-E278 WeakPolarHBondContact O-CB 3.41Å; T274-E278 VanDerWaalsContact O-CG 3.31Å; T274-E278 WeakPolarHBondContact O-CG 3.44Å; T274-E278 PolarHBondContact O-N 2.69Å
275	K	97.8	Very high	97.9	Very high	173 Å²	173	57.3 Å²	57.3	75%	0.752	32%	0.321	S	S	*	.	H	α-helix	trans	-64.7	-41.4	179.3	-68.5	-176.1	178.4	179.6	0	112.9	W273 E278 A279	W273-K275 PolarHBondContact O-N 3.22Å; K275-E278 PolarHBondContact O-N 2.83Å; K275-A279 WeakPolarHBondContact O-CB 3.45Å; K275-A279 PolarHBondContact O-N 3.4Å
276	T	98.4	Very high	97.9	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-43.3	179.9	-45.9	0	0	0	0	111.1	E141 W273 T274 A279 N280	E141-T276 WeakPolarHBondContact OE1-CB 3.41Å; E141-T276 WeakPolarHBondContact OE1-CG2 3.41Å; E141-T276 PolarHBondContact OE1-OG1 3.45Å; W273-T276 HydrophobicContact CE3-CG2 3.96Å; W273-T276 HydrophobicContact CZ3-CG2 4.2Å; W273-T276 PolarHBondContact O-N 2.88Å; W273-T276 VanDerWaalsContact O-N 3.17Å; T274-T276 PolarHBondContact O-N 3.08Å; T276-A279 PolarHBondContact O-N 2.79Å; T276-N280 WeakPolarHBondContact O-CB 3.39Å; T276-N280 PolarHBondContact O-N 2.84Å; T276-N280 PolarHBondContact O-OD1 3.43Å
277	I	98.5	Very high	97.9	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.087	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-41.2	177	-68.5	165.5	0	0	0	110.8	T81 W273 T274 K281	T81-I277 HydrophobicContact CG2-CD1 3.73Å; T81-I277 HydrophobicContact CG2-CG1 4.42Å; W273-I277 HydrophobicContact CB-CD1 3.76Å; W273-I277 HydrophobicContact CB-CG1 4.12Å; W273-I277 WeakPolarHBondContact O-CB 3.04Å; W273-I277 WeakPolarHBondContact O-CG1 3.38Å; W273-I277 PolarHBondContact O-N 3.17Å; T274-I277 PolarHBondContact O-N 2.67Å; I277-K281 HydrophobicContact CG2-CD 4.38Å; I277-K281 WeakPolarHBondContact O-CG 3.4Å; I277-K281 PolarHBondContact O-N 3.46Å
278	E	98.2	Very high	97.8	Very high	120 Å²	120	57.8 Å²	57.8	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-45.8	173.4	-75.2	171.3	-179.7	0	0	111.6	T274 K275 N280 K281 A282	T274-E278 WeakPolarHBondContact O-CB 3.41Å; T274-E278 VanDerWaalsContact O-CG 3.31Å; T274-E278 WeakPolarHBondContact O-CG 3.44Å; T274-E278 PolarHBondContact O-N 2.69Å; K275-E278 PolarHBondContact O-N 2.83Å; E278-N280 PolarHBondContact O-N 2.71Å; E278-K281 PolarHBondContact O-N 2.86Å; E278-A282 WeakPolarHBondContact O-CB 3.29Å; E278-A282 PolarHBondContact O-N 3.43Å
279	A	98.5	Very high	97.7	Very high	57 Å²	57	61.5 Å²	61.5	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-41.9	177.8	0	0	0	0	0	112.5	K275 T276 K281 A282 L283	K275-A279 WeakPolarHBondContact O-CB 3.45Å; K275-A279 PolarHBondContact O-N 3.4Å; T276-A279 PolarHBondContact O-N 2.79Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 2.9Å; A279-A282 PolarHBondContact O-N 2.95Å; A279-L283 WeakPolarHBondContact O-CB 3.46Å; A279-L283 PolarHBondContact O-N 3.16Å
280	N	98.6	Very high	97.5	Very high	33 Å²	33	61.6 Å²	61.6	18%	0.176	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-45.2	175.5	-70.9	-13.7	0	0	0	111.4	G219 S221 T276 E278 V284	G219-N280 WeakPolarHBondContact O-CB 3.39Å; S221-N280 PolarHBondContact N-ND2 3.11Å; S221-N280 PolarHBondContact OG-ND2 3.09Å; T276-N280 WeakPolarHBondContact O-CB 3.39Å; T276-N280 PolarHBondContact O-N 2.84Å; T276-N280 PolarHBondContact O-OD1 3.43Å; E278-N280 PolarHBondContact O-N 2.71Å; N280-V284 PolarHBondContact O-N 3.38Å
281	K	98.2	Very high	97.2	Very high	128 Å²	128	61.4 Å²	61.4	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-66.8	-42.8	177.4	-69.1	171.8	-177.2	176.7	0	111.7	I277 E278 A279 L283 V284 L285	I277-K281 HydrophobicContact CG2-CD 4.38Å; I277-K281 WeakPolarHBondContact O-CG 3.4Å; I277-K281 PolarHBondContact O-N 3.46Å; E278-K281 PolarHBondContact O-N 2.86Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 2.9Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 2.84Å; K281-V284 PolarHBondContact O-N 2.82Å; K281-L285 PolarHBondContact O-N 3.29Å
282	A	98.2	Very high	96.8	Very high	54 Å²	54	63.3 Å²	63.3	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-40.1	178.3	0	0	0	0	0	111.7	E278 A279 V284 L285 S286	E278-A282 WeakPolarHBondContact O-CB 3.29Å; E278-A282 PolarHBondContact O-N 3.43Å; A279-A282 PolarHBondContact O-N 2.95Å; A282-V284 VanDerWaalsContact C-N 3.33Å; A282-V284 PolarHBondContact O-N 3.35Å; A282-L285 PolarHBondContact O-N 3.3Å; A282-S286 PolarHBondContact O-N 3.45Å; A282-S286 PolarHBondContact O-OG 3.34Å
283	L	98.5	Very high	96.1	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.277	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-40.3	176.7	-176	64.1	0	0	0	112.2	M132 P133 A279 K281 S286 S287	M132-L283 HydrophobicContact CE-CD2 3.99Å; M132-L283 HydrophobicContact CE-CG 3.83Å; P133-L283 HydrophobicContact CG-CD1 4.12Å; A279-L283 WeakPolarHBondContact O-CB 3.46Å; A279-L283 PolarHBondContact O-N 3.16Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-OG 2.92Å; L283-S287 VanDerWaalsContact O-CB 3.29Å; L283-S287 WeakPolarHBondContact O-CB 3.43Å; L283-S287 PolarHBondContact O-N 3.16Å; L283-S287 VanDerWaalsContact O-N 3.13Å; L283-S287 PolarHBondContact O-OG 2.96Å
284	V	98.4	Very high	95.1	Very high	16 Å²	16	69.2 Å²	69.2	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-45.6	175.3	176.2	0	0	0	0	110.4	L130 M132 R216 E217 N280 K281 A282 S287	L130-V284 HydrophobicContact CD1-CG1 4.25Å; L130-V284 VanDerWaalsContact CD1-O 3.26Å; L130-V284 WeakPolarHBondContact CD1-O 3.43Å; M132-V284 HydrophobicContact CE-CG2 3.92Å; M132-V284 HydrophobicContact SD-CG2 4.49Å; R216-V284 WeakPolarHBondContact O-CG2 3.49Å; E217-V284 WeakPolarHBondContact O-CG2 3.28Å; N280-V284 PolarHBondContact O-N 3.38Å; K281-V284 PolarHBondContact O-N 2.82Å; A282-V284 VanDerWaalsContact C-N 3.33Å; A282-V284 PolarHBondContact O-N 3.35Å; V284-S287 PolarHBondContact O-N 2.94Å
285	L	97.4	Very high	94	Very high	115 Å²	115	70.5 Å²	70.5	60%	0.602	38%	0.384	S	S	*	.	H	α-helix	trans	-65.4	-43.5	179.8	-68.7	175.7	0	0	0	112.5	K281 A282 S287 R288	K281-L285 PolarHBondContact O-N 3.29Å; A282-L285 PolarHBondContact O-N 3.3Å; L285-S287 PolarHBondContact O-N 3.35Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.96Å
286	S	97.3	Very high	92.9	Very high	71 Å²	71	65 Å²	65	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-71.2	-13.5	179	65.4	0	0	0	0	113.6	A282 L283 L292	A282-S286 PolarHBondContact O-N 3.45Å; A282-S286 PolarHBondContact O-OG 3.34Å; L283-S286 PolarHBondContact O-OG 2.92Å; S286-L292 WeakPolarHBondContact O-CD1 3.45Å
287	S	97.8	Very high	91.2	Very high	10 Å²	10	71.4 Å²	71.4	7%	0.07	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0.3	176.9	-58.2	0	0	0	0	113.2	H131 M132 P133 L283 V284 L285 Q289	H131-S287 PolarHBondContact N-O 3.46Å; H131-S287 WeakPolarHBondContact O-CB 3.36Å; M132-S287 WeakPolarHBondContact SD-CB 3.37Å; M132-S287 PolarHBondContact SD-OG 3.34Å; P133-S287 VanDerWaalsContact CD-OG 3.3Å; P133-S287 WeakPolarHBondContact CD-OG 3.35Å; L283-S287 VanDerWaalsContact O-CB 3.29Å; L283-S287 WeakPolarHBondContact O-CB 3.43Å; L283-S287 PolarHBondContact O-N 3.16Å; L283-S287 VanDerWaalsContact O-N 3.13Å; L283-S287 PolarHBondContact O-OG 2.96Å; V284-S287 PolarHBondContact O-N 2.94Å; L285-S287 PolarHBondContact O-N 3.35Å; S287-Q289 PolarHBondContact O-N 3.04Å
288	R	97.2	Very high	89.6	Confident	31 Å²	31	75.3 Å²	75.3	12%	0.117	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-81.9	92.1	178.4	-71.9	-68.9	-61	-82.9	-1.6	110.9	K127 L130 L285 D290 L291 L292	K127-R288 PolarHBondContact O-NH2 3.4Å; K127-R288 VanDerWaalsContact O-NH2 3.09Å; L130-R288 HydrophobicContact CD1-CG 3.82Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.96Å; R288-D290 IonicContact CZ-OD1 3.59Å; R288-D290 IonicContact CZ-OD2 2.66Å; R288-D290 IonicContact NE-OD1 3.54Å; R288-D290 PolarHBondContact NE-OD1 3.47Å; R288-D290 IonicContact NE-OD2 3.56Å; R288-D290 IonicContact NH2-OD1 3.66Å; R288-D290 PolarHBondContact NH2-OD1 3.42Å; R288-D290 IonicContact NH2-OD2 3.57Å; R288-D290 PolarHBondContact NH2-OD2 3.36Å; R288-D290 PolarHBondContact O-N 3.03Å; R288-L291 HydrophobicContact CB-CB 3.97Å; R288-L291 HydrophobicContact CB-CD1 3.74Å; R288-L291 HydrophobicContact CB-CG 3.8Å; R288-L291 HydrophobicContact CG-CD1 3.99Å; R288-L291 HydrophobicContact CG-CG 4.46Å; R288-L291 PolarHBondContact O-N 3.4Å; R288-L291 VanDerWaalsContact O-N 3.11Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.24Å
289	Q	95.3	Very high	87.3	Confident	77 Å²	77	82.9 Å²	82.9	36%	0.36	45%	0.453	S	S	.	.	H	α-helix	trans	-58.4	-39.5	-179.7	-175.3	-179.6	14.6	0	0	111.8	V129 H131 S287 L291 L292 H293	V129-Q289 HydrophobicContact CB-CB 4.35Å; V129-Q289 HydrophobicContact CG1-CB 4.28Å; V129-Q289 PolarHBondContact O-N 2.99Å; H131-Q289 PolarHBondContact CD2-OE1 3.44Å; H131-Q289 PolarHBondContact NE2-OE1 2.99Å; S287-Q289 PolarHBondContact O-N 3.04Å; Q289-L291 VanDerWaalsContact C-N 3.26Å; Q289-L291 PolarHBondContact O-N 2.57Å; Q289-L292 PolarHBondContact O-N 3.27Å; Q289-H293 PolarHBondContact NE2-NE2 2.86Å; Q289-H293 PolarHBondContact O-CD2 3.46Å; Q289-H293 PolarHBondContact O-N 3.36Å
290	D	93.2	Very high	86.8	Confident	38 Å²	38	84.2 Å²	84.2	20%	0.203	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-30.5	179.5	62.1	-68.4	0	0	0	113.3	G128 V129 R288 Q294	G128-D290 WeakPolarHBondContact CA-OD1 3.27Å; G128-D290 WeakPolarHBondContact CA-OD2 3.39Å; V129-D290 PolarHBondContact N-OD1 2.9Å; R288-D290 IonicContact CZ-OD1 3.59Å; R288-D290 IonicContact CZ-OD2 2.66Å; R288-D290 IonicContact NE-OD1 3.54Å; R288-D290 PolarHBondContact NE-OD1 3.47Å; R288-D290 IonicContact NE-OD2 3.56Å; R288-D290 IonicContact NH2-OD1 3.66Å; R288-D290 PolarHBondContact NH2-OD1 3.42Å; R288-D290 IonicContact NH2-OD2 3.57Å; R288-D290 PolarHBondContact NH2-OD2 3.36Å; R288-D290 PolarHBondContact O-N 3.03Å; D290-Q294 WeakPolarHBondContact O-CG 3.39Å
291	L	92.1	Very high	86.2	Confident	70 Å²	70	86.8 Å²	86.8	37%	0.366	47%	0.466	S	S	.	.	H	α-helix	trans	-83.2	-34.6	176.5	-58.7	-177.3	0	0	0	111.9	R288 Q289 Q294 G295	R288-L291 HydrophobicContact CB-CB 3.97Å; R288-L291 HydrophobicContact CB-CD1 3.74Å; R288-L291 HydrophobicContact CB-CG 3.8Å; R288-L291 HydrophobicContact CG-CD1 3.99Å; R288-L291 HydrophobicContact CG-CG 4.46Å; R288-L291 PolarHBondContact O-N 3.4Å; R288-L291 VanDerWaalsContact O-N 3.11Å; Q289-L291 VanDerWaalsContact C-N 3.26Å; Q289-L291 PolarHBondContact O-N 2.57Å; L291-Q294 PolarHBondContact O-N 2.84Å; L291-G295 PolarHBondContact O-N 2.81Å; L291-G295 VanDerWaalsContact O-N 3.14Å
292	L	86.8	Confident	85.5	Confident	103 Å²	103	84.6 Å²	84.6	54%	0.539	46%	0.461	S	S	.	.	H	α-helix	trans	-63.9	-43.2	176.3	-70.9	173.6	0	0	0	111.8	S286 R288 Q289 Q294 G295 S296	S286-L292 WeakPolarHBondContact O-CD1 3.45Å; R288-L292 WeakPolarHBondContact O-CG 3.32Å; R288-L292 PolarHBondContact O-N 3.24Å; Q289-L292 PolarHBondContact O-N 3.27Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.37Å; L292-G295 PolarHBondContact O-N 3.34Å; L292-G295 VanDerWaalsContact O-N 3.09Å; L292-S296 PolarHBondContact O-N 2.72Å; L292-S296 PolarHBondContact O-OG 3.34Å
293	H	81.2	Confident	84.8	Confident	82 Å²	82	86.4 Å²	86.4	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-38.5	175.8	-75.1	-44	0	0	0	112.8	Q289 G295 S296 N297 D298	Q289-H293 PolarHBondContact NE2-NE2 2.86Å; Q289-H293 PolarHBondContact O-CD2 3.46Å; Q289-H293 PolarHBondContact O-N 3.36Å; H293-G295 VanDerWaalsContact C-N 3.28Å; H293-G295 PolarHBondContact O-N 3.27Å; H293-S296 PolarHBondContact O-N 2.92Å; H293-S296 PolarHBondContact O-OG 3.43Å; H293-N297 PolarHBondContact O-N 2.73Å; H293-D298 PolarHBondContact O-N 2.84Å
294	Q	77.6	Confident	83.9	Confident	147 Å²	147	88.4 Å²	88.4	69%	0.687	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-32.6	174.6	-71.1	176.9	7.3	0	0	112.4	D290 L291 L292	D290-Q294 WeakPolarHBondContact O-CG 3.39Å; L291-Q294 PolarHBondContact O-N 2.84Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.37Å
295	G	75	Confident	82.9	Confident	70 Å²	70	93.3 Å²	93.3	72%	0.722	50%	0.499	S	S	*	.	H	α-helix	trans	-74.7	-25.8	178.6	0	0	0	0	0	114.3	L291 L292 H293	L291-G295 PolarHBondContact O-N 2.81Å; L291-G295 VanDerWaalsContact O-N 3.14Å; L292-G295 PolarHBondContact O-N 3.34Å; L292-G295 VanDerWaalsContact O-N 3.09Å; H293-G295 VanDerWaalsContact C-N 3.28Å; H293-G295 PolarHBondContact O-N 3.27Å
296	S	74.4	Confident	81.9	Confident	57 Å²	57	91.7 Å²	91.7	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-98.7	-3.7	-176.8	55.8	0	0	0	0	115.1	L292 H293 D298	L292-S296 PolarHBondContact O-N 2.72Å; L292-S296 PolarHBondContact O-OG 3.34Å; H293-S296 PolarHBondContact O-N 2.92Å; H293-S296 PolarHBondContact O-OG 3.43Å; S296-D298 VanDerWaalsContact CB-OD2 3.26Å; S296-D298 WeakPolarHBondContact CB-OD2 3.17Å; S296-D298 PolarHBondContact O-N 3.04Å; S296-D298 WeakPolarHBondContact OG-CB 3.39Å; S296-D298 PolarHBondContact OG-OD2 3.45Å
297	N	63.8	Low	80.7	Confident	150 Å²	150	93.3 Å²	93.3	80%	0.802	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.1	-166.7	-63.2	-49.1	0	0	0	113.7	H293	H293-N297 PolarHBondContact O-N 2.73Å
298	D	63.9	Low	79.3	Confident	99 Å²	99	100.3 Å²	100.3	53%	0.529	53%	0.526	S	S	.	.			trans	-75.4	128.2	173.9	-70.3	-37.9	0	0	0	109.3	H293 S296	H293-D298 PolarHBondContact O-N 2.84Å; S296-D298 VanDerWaalsContact CB-OD2 3.26Å; S296-D298 WeakPolarHBondContact CB-OD2 3.17Å; S296-D298 PolarHBondContact O-N 3.04Å; S296-D298 WeakPolarHBondContact OG-CB 3.39Å; S296-D298 PolarHBondContact OG-OD2 3.45Å
299	K	50.9	Low	77.7	Confident	279 Å²	279	106.5 Å²	106.5	100%	1.213	56%	0.564	S	S	*	*			trans	-88.5	0	179.7	-72.9	-172.8	179.5	-179.9	0	112.2

Retrieved 299 of 299 residues in 184.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).