A0A077Z8B9_TRITR Loading...

Glucose-6-phosphate 1-dehydrogenase

Catalyzes the rate-limiting step of the oxidative pentose-phosphate pathway, which represents a route for the dissimilation of carbohydrates besides glycolysis. Cytosolic glucose-6-phosphate dehydrogenase that catalyzes the first and rate-limiting step of the oxidative branch within the pentose phosphate pathway/shunt, an alternative route to glycolysis for the dissimilation of carbohydrates and a major source of reducing power and metabolic intermediates for fatty acid and nucleic acid biosynthetic processes.

AlphaFold DB , UniProt , Accession A0A077Z8B9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 523 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	37.4	Very low	73 Å²	73	55.8 Å²	55.8	36%	0.36	32%	0.321	S	S	.	.				0	103.8	0	-67.8	179.6	-73.6	0	0	108	K177 Y255 D264	M1-K177 HydrophobicContact CE-CD 3.83Å; M1-K177 HydrophobicContact CE-CG 3.92Å; M1-Y255 HydrophobicContact CE-CE1 4.47Å; M1-Y255 HydrophobicContact CG-CD1 4.14Å; M1-Y255 HydrophobicContact CG-CE1 3.29Å; M1-Y255 HydrophobicContact SD-CE1 3.74Å; M1-D264 HydrophobicContact SD-CB 4.45Å
2	V	34.9	Very low	39.3	Very low	23 Å²	23	55.2 Å²	55.2	14%	0.139	32%	0.323	C	S	.	.			trans	-113.1	102.6	164.4	-168.8	0	0	0	0	104.2	D4 L45 K49 R252	V2-D4 PolarHBondContact O-N 3.4Å; V2-L45 HydrophobicContact CG1-CD1 4.32Å; V2-L45 HydrophobicContact CG2-CB 3.6Å; V2-L45 HydrophobicContact CG2-CD1 3.46Å; V2-L45 VanDerWaalsContact CG2-CD1 3.46Å; V2-L45 HydrophobicContact CG2-CG 4.03Å; V2-K49 HydrophobicContact CG1-CG 3.84Å; V2-R252 PolarHBondContact O-NH1 3.41Å
3	E	41.6	Very low	41.3	Very low	22 Å²	22	61.8 Å²	61.8	10%	0.103	35%	0.345	C	S	.	.			trans	-53.8	132.8	171	-75.8	178.4	177.8	0	0	107.9	C5 H207 F243	E3-C5 PolarHBondContact O-N 2.81Å; E3-H207 IonicContact OE2-NE2 2.69Å; E3-F243 WeakPolarHBondContact OE1-CZ 3.19Å
4	D	35.4	Very low	43.5	Very low	64 Å²	64	57.8 Å²	57.8	34%	0.342	32%	0.323	S	S	.	.			trans	-72.9	53.5	172.2	-87.6	-51.5	0	0	0	110	V2 C6 L247 R252	V2-D4 PolarHBondContact O-N 3.4Å; D4-C6 PolarHBondContact O-N 3.12Å; D4-L247 HydrophobicContact CB-CD1 4.29Å; D4-R252 IonicContact OD2-CZ 3.73Å; D4-R252 IonicContact OD2-NH1 3.73Å; D4-R252 IonicContact OD2-NH2 3.09Å; D4-R252 PolarHBondContact OD2-NH2 3.09Å; D4-R252 VanDerWaalsContact OD2-NH2 3.09Å
5	C	33.1	Very low	45.6	Very low	25 Å²	25	55.9 Å²	55.9	17%	0.169	31%	0.313	C	S	.	.			trans	-71.2	7.3	159.2	-72.7	0	0	0	0	111.5	E3 G7	E3-C5 PolarHBondContact O-N 2.81Å; C5-G7 PolarHBondContact O-N 3.43Å
6	C	28.6	Very low	47.5	Very low	62 Å²	62	58.4 Å²	58.4	42%	0.419	33%	0.333	S	S	.	.			trans	-73.1	70.4	171.6	-86.3	0	0	0	0	111	D4 K49	D4-C6 PolarHBondContact O-N 3.12Å; C6-K49 VanDerWaalsContact SG-CE 3.52Å; C6-K49 PolarHBondContact SG-NZ 2.84Å
7	G	32.4	Very low	49	Very low	57 Å²	57	62.8 Å²	62.8	59%	0.588	35%	0.349	S	S	*	.	S	Bend	trans	-119.9	87.5	168.5	0	0	0	0	0	110.1	C5	C5-G7 PolarHBondContact O-N 3.43Å
8	K	40.3	Very low	50.2	Low	171 Å²	171	61.2 Å²	61.2	74%	0.743	34%	0.342	S	S	*	.	S	Bend	trans	96.1	-20.5	157.9	-59	-175.7	176.7	-178.9	0	121.8	R91	K8-R91 VanDerWaalsContact O-CZ 3.24Å; K8-R91 PolarHBondContact O-NH1 3.5Å; K8-R91 PolarHBondContact O-NH2 2.64Å
9	D	43	Very low	51.6	Low	92 Å²	92	59.1 Å²	59.1	49%	0.492	33%	0.33	S	S	.	.			trans	-111.9	-0.6	-165.9	-65.3	-23.8	0	0	0	119.2	G11	D9-G11 PolarHBondContact O-N 3.2Å
10	F	41.8	Very low	52.6	Low	13 Å²	13	61 Å²	61	6%	0.057	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	106.2	173.7	-113.6	-90.1	0	0	0	111.3	K49 P52 T53 R91 E443	F10-K49 HydrophobicContact CE2-CD 3.61Å; F10-K49 HydrophobicContact CZ-CD 3.86Å; F10-P52 HydrophobicContact CD1-CB 3.64Å; F10-P52 HydrophobicContact CE1-CB 3.41Å; F10-P52 VanDerWaalsContact CE1-CB 3.41Å; F10-P52 HydrophobicContact CZ-CB 4.46Å; F10-T53 WeakPolarHBondContact CZ-OG1 3.34Å; F10-R91 WeakPolarHBondContact O-CD 3.44Å; F10-R91 VanDerWaalsContact O-CG 3.22Å; F10-R91 WeakPolarHBondContact O-CG 3.37Å; F10-R91 PolarHBondContact O-NE 3.34Å; F10-R91 PolarHBondContact O-NH1 3.22Å; F10-E443 HydrophobicContact CD2-CG 4.04Å; F10-E443 HydrophobicContact CE2-CB 4.22Å; F10-E443 HydrophobicContact CE2-CG 3.84Å
11	G	45.4	Very low	53.5	Low	12 Å²	12	62.6 Å²	62.6	12%	0.124	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	124.8	0.6	166.5	0	0	0	0	0	117.9	D9 R59	D9-G11 PolarHBondContact O-N 3.2Å; G11-R59 PolarHBondContact O-NH1 3.25Å
12	S	59.7	Low	55.2	Low	48 Å²	48	61.2 Å²	61.2	34%	0.336	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.4	145.2	166	27.2	0	0	0	0	110.9	R59 H440	S12-R59 PolarHBondContact O-NH2 3.19Å; S12-H440 PolarHBondContact O-CD2 3.31Å; S12-H440 PolarHBondContact OG-CD2 2.73Å; S12-H440 PolarHBondContact OG-CE1 3.15Å; S12-H440 PolarHBondContact OG-ND1 3.09Å; S12-H440 PolarHBondContact OG-NE2 3.26Å
13	K	65.8	Low	56.9	Low	141 Å²	141	63.7 Å²	63.7	61%	0.613	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-78.4	133.3	179.5	-163.9	177.9	179.6	178.8	0	109.7
14	L	72	Confident	58	Low	6 Å²	6	68.4 Å²	68.4	3%	0.031	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.3	145.5	169.7	-68.8	170.5	0	0	0	110.2	T18 I19 L22 D60 L62 H440	L14-T18 HydrophobicContact CD2-CG2 4.11Å; L14-I19 HydrophobicContact CB-CD1 4.17Å; L14-I19 HydrophobicContact CB-CG1 3.77Å; L14-L22 HydrophobicContact CD1-CD1 4.15Å; L14-D60 HydrophobicContact CD1-CB 4.39Å; L14-D60 PolarHBondContact N-OD2 3.04Å; L14-L62 HydrophobicContact CD1-CD1 3.67Å; L14-H440 HydrophobicContact CD2-CB 4.41Å
15	T	75.4	Confident	59.2	Low	29 Å²	29	69.7 Å²	69.7	18%	0.178	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-66.5	151	177.1	66.6	0	0	0	0	110.6	E17 T18 I19 E438	T15-E17 WeakPolarHBondContact CB-OE2 3.32Å; T15-E17 PolarHBondContact O-N 3.49Å; T15-E17 PolarHBondContact OG1-OE2 3.11Å; T15-T18 PolarHBondContact O-N 3.33Å; T15-T18 VanDerWaalsContact O-N 3.07Å; T15-T18 WeakPolarHBondContact OG1-CB 3.38Å; T15-T18 PolarHBondContact OG1-N 3.01Å; T15-T18 PolarHBondContact OG1-OG1 3.49Å; T15-I19 WeakPolarHBondContact O-CG1 3.47Å; T15-I19 PolarHBondContact O-N 3Å; T15-E438 WeakPolarHBondContact CG2-O 3.46Å
16	P	75.6	Confident	60.6	Low	97 Å²	97	69.6 Å²	69.6	63%	0.63	39%	0.387	S	S	*	.	H	α-helix	trans	-53.5	-38.5	177	-26.8	35.8	0	0	0	113.4	I19 Q20	P16-I19 PolarHBondContact O-N 2.85Å; P16-Q20 PolarHBondContact O-N 3.18Å
17	E	73.1	Confident	61.9	Low	132 Å²	132	76.4 Å²	76.4	62%	0.617	41%	0.413	S	S	*	.	H	α-helix	trans	-64.5	-43.5	177.7	-60.1	73	-157	0	0	111.3	T15 Q20 V21	T15-E17 WeakPolarHBondContact CB-OE2 3.32Å; T15-E17 PolarHBondContact O-N 3.49Å; T15-E17 PolarHBondContact OG1-OE2 3.11Å; E17-Q20 PolarHBondContact O-N 3.18Å; E17-V21 WeakPolarHBondContact O-CG2 3.33Å; E17-V21 PolarHBondContact O-N 2.81Å
18	T	71.1	Confident	63.1	Low	34 Å²	34	76.5 Å²	76.5	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-63.9	-42.9	177.7	-54.4	0	0	0	0	110.9	L14 T15 Q20 V21 L22	L14-T18 HydrophobicContact CD2-CG2 4.11Å; T15-T18 PolarHBondContact O-N 3.33Å; T15-T18 VanDerWaalsContact O-N 3.07Å; T15-T18 WeakPolarHBondContact OG1-CB 3.38Å; T15-T18 PolarHBondContact OG1-N 3.01Å; T15-T18 PolarHBondContact OG1-OG1 3.49Å; T18-Q20 VanDerWaalsContact C-N 3.31Å; T18-Q20 PolarHBondContact O-N 3.17Å; T18-V21 PolarHBondContact O-N 2.86Å; T18-L22 HydrophobicContact CG2-CD1 4.23Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.14Å; T18-L22 VanDerWaalsContact O-N 3.09Å
19	I	75.6	Confident	64.1	Low	22 Å²	22	72.5 Å²	72.5	11%	0.113	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-42.7	176.2	-67.1	170.5	0	0	0	110.4	L14 T15 P16 L22 K23 D60 L62	L14-I19 HydrophobicContact CB-CD1 4.17Å; L14-I19 HydrophobicContact CB-CG1 3.77Å; T15-I19 WeakPolarHBondContact O-CG1 3.47Å; T15-I19 PolarHBondContact O-N 3Å; P16-I19 PolarHBondContact O-N 2.85Å; I19-L22 PolarHBondContact O-N 2.91Å; I19-K23 HydrophobicContact CG2-CD 4.04Å; I19-K23 HydrophobicContact CG2-CG 4.39Å; I19-K23 WeakPolarHBondContact O-CB 3.05Å; I19-K23 WeakPolarHBondContact O-CG 3.41Å; I19-K23 PolarHBondContact O-N 3.09Å; I19-D60 HydrophobicContact CD1-CB 4Å; I19-D60 HydrophobicContact CG1-CB 4.32Å; I19-D60 WeakPolarHBondContact CG2-O 3.23Å; I19-L62 HydrophobicContact CG2-CD2 4.24Å
20	Q	72.6	Confident	65.2	Low	97 Å²	97	75 Å²	75	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-45	-179.4	-169.5	60.4	42.9	0	0	112	P16 E17 T18 L22 K23 D24	P16-Q20 PolarHBondContact O-N 3.18Å; E17-Q20 PolarHBondContact O-N 3.18Å; T18-Q20 VanDerWaalsContact C-N 3.31Å; T18-Q20 PolarHBondContact O-N 3.17Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 2.79Å; Q20-K23 WeakPolarHBondContact O-CB 3.42Å; Q20-K23 PolarHBondContact O-N 3.33Å; Q20-K23 VanDerWaalsContact O-N 3.12Å; Q20-D24 PolarHBondContact NE2-OD1 3.18Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.31Å
21	V	71.1	Confident	66.7	Low	95 Å²	95	80.3 Å²	80.3	58%	0.576	43%	0.427	S	S	*	.	H	α-helix	trans	-60	-41.2	176.9	172.1	0	0	0	0	111.6	E17 T18 S25	E17-V21 WeakPolarHBondContact O-CG2 3.33Å; E17-V21 PolarHBondContact O-N 2.81Å; T18-V21 PolarHBondContact O-N 2.86Å; V21-S25 PolarHBondContact O-N 2.9Å; V21-S25 PolarHBondContact O-OG 2.83Å
22	L	70.4	Confident	68.7	Low	43 Å²	43	80 Å²	80	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-41.5	175.7	-70.1	171.3	0	0	0	111.4	L14 T18 I19 Q20 S25 L26 L62 L450	L14-L22 HydrophobicContact CD1-CD1 4.15Å; T18-L22 HydrophobicContact CG2-CD1 4.23Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.14Å; T18-L22 VanDerWaalsContact O-N 3.09Å; I19-L22 PolarHBondContact O-N 2.91Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 2.79Å; L22-S25 WeakPolarHBondContact O-CB 3.37Å; L22-S25 PolarHBondContact O-N 2.9Å; L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 2.82Å; L22-L62 HydrophobicContact CB-CD2 3.72Å; L22-L62 HydrophobicContact CD1-CD1 3.77Å; L22-L62 HydrophobicContact CD1-CD2 4.06Å; L22-L450 HydrophobicContact CD1-CD2 4.45Å; L22-L450 HydrophobicContact CD2-CD2 4.2Å
23	K	70.2	Confident	70.3	Confident	76 Å²	76	77.7 Å²	77.7	33%	0.33	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-41.3	176.7	-77.6	-178	174.7	-166.6	0	113.7	I19 Q20 S25 L26 K61 L62	I19-K23 HydrophobicContact CG2-CD 4.04Å; I19-K23 HydrophobicContact CG2-CG 4.39Å; I19-K23 WeakPolarHBondContact O-CB 3.05Å; I19-K23 WeakPolarHBondContact O-CG 3.41Å; I19-K23 PolarHBondContact O-N 3.09Å; Q20-K23 WeakPolarHBondContact O-CB 3.42Å; Q20-K23 PolarHBondContact O-N 3.33Å; Q20-K23 VanDerWaalsContact O-N 3.12Å; K23-S25 PolarHBondContact O-N 2.87Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 2.96Å; K23-K61 WeakPolarHBondContact CE-O 3.39Å; K23-L62 HydrophobicContact CG-CD2 4.38Å
24	D	66	Low	71.7	Confident	120 Å²	120	71.7 Å²	71.7	64%	0.642	38%	0.38	S	S	*	.	H	α-helix	trans	-64.7	-22.6	177.4	-65.1	-16.9	0	0	0	111.6	Q20	Q20-D24 PolarHBondContact NE2-OD1 3.18Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.31Å
25	S	60.4	Low	72.9	Confident	91 Å²	91	71.4 Å²	71.4	64%	0.636	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.4	174.8	-51.9	0	0	0	0	113.5	V21 L22 K23	V21-S25 PolarHBondContact O-N 2.9Å; V21-S25 PolarHBondContact O-OG 2.83Å; L22-S25 WeakPolarHBondContact O-CB 3.37Å; L22-S25 PolarHBondContact O-N 2.9Å; K23-S25 PolarHBondContact O-N 2.87Å
26	L	62.1	Low	74	Confident	23 Å²	23	70 Å²	70	12%	0.12	37%	0.371	C	S	.	.			trans	-96.5	101.6	-177.4	-78.1	161.4	0	0	0	109.6	L22 K23 T28 L62 L450 C454	L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 2.82Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 2.96Å; L26-T28 HydrophobicContact CB-CG2 4.16Å; L26-T28 HydrophobicContact CD2-CG2 4.2Å; L26-T28 PolarHBondContact O-N 3.03Å; L26-L62 HydrophobicContact CD1-CD2 4.37Å; L26-L450 HydrophobicContact CD1-CD1 4.25Å; L26-L450 HydrophobicContact CD2-CD1 4.09Å; L26-C454 WeakPolarHBondContact CD2-SG 3.41Å
27	E	55.9	Low	75.1	Confident	206 Å²	206	65.4 Å²	65.4	96%	0.963	34%	0.341	S	S	*	.			trans	-74.2	80	162.1	-74.9	-173	172.2	0	0	109.1
28	T	58.1	Low	76.3	Confident	59 Å²	59	59.1 Å²	59.1	36%	0.362	31%	0.311	S	S	.	.			trans	-100.2	115.3	175.8	46.9	0	0	0	0	110.8	L26 E30 P64	L26-T28 HydrophobicContact CB-CG2 4.16Å; L26-T28 HydrophobicContact CD2-CG2 4.2Å; L26-T28 PolarHBondContact O-N 3.03Å; T28-E30 VanDerWaalsContact C-N 3.34Å; T28-E30 PolarHBondContact O-N 2.77Å; T28-P64 HydrophobicContact CG2-CG 4.19Å
29	D	61.7	Low	77.6	Confident	87 Å²	87	57.5 Å²	57.5	47%	0.465	30%	0.301	S	S	.	.			trans	-70.2	93.4	165.3	-162.2	14.2	0	0	0	106.4	D31 V32 R136	D29-D31 PolarHBondContact O-N 3.04Å; D29-V32 HydrophobicContact CB-CG2 3.71Å; D29-V32 PolarHBondContact O-N 2.8Å; D29-V32 VanDerWaalsContact OD2-CG2 3.26Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.3Å; D29-R136 IonicContact OD2-CZ 3.85Å; D29-R136 IonicContact OD2-NH1 2.81Å; D29-R136 PolarHBondContact OD2-NH1 2.9Å; D29-R136 IonicContact OD2-NH2 2.83Å; D29-R136 PolarHBondContact OD2-NH2 2.92Å
30	E	64.2	Low	78.6	Confident	144 Å²	144	56.6 Å²	56.6	67%	0.673	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.6	-168.8	-73.3	-164.6	151.5	0	0	113.3	T28	T28-E30 VanDerWaalsContact C-N 3.34Å; T28-E30 PolarHBondContact O-N 2.77Å
31	D	74.8	Confident	79.7	Confident	124 Å²	124	52 Å²	52	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.4	-177.4	-70.4	-31.3	0	0	0	114.7	D29 P33	D29-D31 PolarHBondContact O-N 3.04Å; D31-P33 WeakPolarHBondContact O-CD 3.39Å
32	V	86.7	Confident	80.8	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	26%	0.256	C	S	.	.	S	Bend	trans	-89.3	118.6	-179	-172.6	0	0	0	0	110.9	D29 H34 R136 N139	D29-V32 HydrophobicContact CB-CG2 3.71Å; D29-V32 PolarHBondContact O-N 2.8Å; D29-V32 VanDerWaalsContact OD2-CG2 3.26Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.3Å; V32-H34 PolarHBondContact O-CE1 3.2Å; V32-H34 PolarHBondContact O-ND1 3.24Å; V32-R136 VanDerWaalsContact CG2-NH1 3.35Å; V32-N139 WeakPolarHBondContact CG1-ND2 3.39Å
33	P	93.3	Very high	82	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.			trans	-67.6	138.9	176.6	27.8	-33.4	0	0	0	110.8	D31 A66 I130 F134 P138 N139	D31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-A66 CarbonylContact C-O 3.44Å; P33-A66 WeakPolarHBondContact CA-O 3.41Å; P33-A66 HydrophobicContact CB-CB 4.33Å; P33-I130 HydrophobicContact CB-CG2 4.04Å; P33-F134 HydrophobicContact CB-CB 4.35Å; P33-F134 HydrophobicContact CB-CD2 4.04Å; P33-F134 HydrophobicContact CB-CG 4.08Å; P33-F134 HydrophobicContact CG-CB 3.79Å; P33-F134 HydrophobicContact CG-CD2 4.36Å; P33-F134 HydrophobicContact CG-CG 4.07Å; P33-P138 HydrophobicContact CB-CB 4.12Å; P33-P138 HydrophobicContact CB-CG 4.29Å; P33-P138 HydrophobicContact CG-CB 3.97Å; P33-P138 HydrophobicContact CG-CG 3.93Å; P33-P138 CarbonylContact O-C 3.57Å; P33-P138 WeakPolarHBondContact O-CA 3.5Å; P33-P138 WeakPolarHBondContact O-CB 3.28Å; P33-N139 PolarHBondContact O-N 2.99Å
34	H	95.4	Very high	82.9	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.1	174.6	-69.3	68.9	0	0	0	109.3	V32 A66 T67 F68 N139 W170 F453	V32-H34 PolarHBondContact O-CE1 3.2Å; V32-H34 PolarHBondContact O-ND1 3.24Å; H34-A66 PolarHBondContact N-O 3.05Å; H34-T67 CarbonylContact O-C 3.51Å; H34-T67 WeakPolarHBondContact O-CA 3.29Å; H34-F68 PolarHBondContact O-N 3.37Å; H34-N139 CarbonylContact C-O 3.51Å; H34-N139 WeakPolarHBondContact CA-O 3.44Å; H34-N139 PolarHBondContact CE1-ND2 3.31Å; H34-N139 PolarHBondContact NE2-ND2 2.95Å; H34-W170 AromaticContact CD2-CH2 3.8Å; H34-W170 AromaticContact CD2-CZ2 3.57Å; H34-W170 AromaticContact NE2-CZ2 3.5Å; H34-F453 HydrophobicContact CB-CE1 4.02Å; H34-F453 AromaticContact CD2-CD1 3.9Å
35	V	97.1	Very high	84.2	Confident	1 Å²	1	43 Å²	43	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.3	174.6	-176	0	0	0	0	109.7	V37 F68 I70 I127 I130 P138 N139 R140 I141	V35-V37 HydrophobicContact CG1-CG2 4Å; V35-F68 CarbonylContact C-O 3.51Å; V35-F68 WeakPolarHBondContact CA-O 3.32Å; V35-F68 HydrophobicContact CG2-CB 4.44Å; V35-I70 HydrophobicContact CG1-CD1 3.6Å; V35-I70 HydrophobicContact CG1-CG1 3.81Å; V35-I127 HydrophobicContact CB-CG1 4.44Å; V35-I127 HydrophobicContact CG1-CG1 4Å; V35-I127 HydrophobicContact CG2-CG1 4.45Å; V35-I127 HydrophobicContact CG2-CG2 4.48Å; V35-I130 HydrophobicContact CG2-CD1 3.81Å; V35-I130 HydrophobicContact CG2-CG2 4.38Å; V35-P138 HydrophobicContact CG2-CB 3.74Å; V35-P138 HydrophobicContact CG2-CG 4.25Å; V35-N139 PolarHBondContact N-O 3.22Å; V35-R140 WeakPolarHBondContact O-CA 3.49Å; V35-I141 PolarHBondContact O-N 2.86Å
36	F	98.1	Very high	85.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.8	176.1	-160.7	-74.3	0	0	0	109.8	I38 I50 L54 F68 I69 I70 I141 Y143 I174 L449 F453	F36-I38 HydrophobicContact CD1-CD1 4.26Å; F36-I38 HydrophobicContact CD1-CG1 3.65Å; F36-I38 HydrophobicContact CE1-CD1 4.33Å; F36-I38 HydrophobicContact CE1-CG1 3.75Å; F36-I50 HydrophobicContact CE1-CG2 4.11Å; F36-I50 HydrophobicContact CZ-CG2 4.47Å; F36-L54 HydrophobicContact CD1-CD1 3.77Å; F36-L54 HydrophobicContact CD2-CD2 4.02Å; F36-L54 HydrophobicContact CE1-CD1 3.84Å; F36-L54 HydrophobicContact CE1-CD2 4.47Å; F36-L54 HydrophobicContact CE2-CD2 3.97Å; F36-L54 HydrophobicContact CG-CD1 4.21Å; F36-L54 HydrophobicContact CG-CD2 4.27Å; F36-L54 HydrophobicContact CZ-CD1 4.33Å; F36-L54 HydrophobicContact CZ-CD2 4.19Å; F36-F68 PolarHBondContact N-O 3.35Å; F36-I69 HydrophobicContact CB-CG1 4.39Å; F36-I69 CarbonylContact O-C 3.55Å; F36-I69 WeakPolarHBondContact O-CA 3.32Å; F36-I70 PolarHBondContact O-N 3.49Å; F36-I141 CarbonylContact C-O 3.52Å; F36-I141 WeakPolarHBondContact CA-O 3.27Å; F36-I141 HydrophobicContact CD2-CB 3.73Å; F36-I141 HydrophobicContact CD2-CD1 3.86Å; F36-I141 HydrophobicContact CD2-CG1 4.38Å; F36-I141 HydrophobicContact CD2-CG2 3.7Å; F36-I141 HydrophobicContact CE2-CB 4.11Å; F36-I141 HydrophobicContact CE2-CD1 4.17Å; F36-I141 HydrophobicContact CE2-CG2 3.53Å; F36-I141 HydrophobicContact CG-CB 4.31Å; F36-I141 HydrophobicContact CG-CG2 4.42Å; F36-I141 HydrophobicContact CZ-CG2 4.12Å; F36-Y143 HydrophobicContact CE1-CD2 4.1Å; F36-Y143 HydrophobicContact CE1-CG 4.13Å; F36-Y143 AromaticContact CZ-CD2 3.7Å; F36-Y143 HydrophobicContact CZ-CD2 3.7Å; F36-Y143 HydrophobicContact CZ-CG 4.19Å; F36-I174 HydrophobicContact CE2-CD1 4.25Å; F36-I174 HydrophobicContact CZ-CD1 4.16Å; F36-L449 HydrophobicContact CE2-CD2 4.13Å; F36-L449 HydrophobicContact CZ-CD1 4.12Å; F36-L449 HydrophobicContact CZ-CD2 3.83Å; F36-F453 AromaticContact CD2-CE2 3.74Å; F36-F453 HydrophobicContact CD2-CE2 3.74Å; F36-F453 AromaticContact CD2-CZ 3.67Å; F36-F453 HydrophobicContact CD2-CZ 3.67Å; F36-F453 AromaticContact CE2-CE2 3.98Å; F36-F453 HydrophobicContact CE2-CE2 3.98Å; F36-F453 HydrophobicContact CE2-CZ 4.38Å
37	V	98.4	Very high	87.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122	-178.8	-172.9	0	0	0	0	109.5	V35 F39 I70 I123 I127 I141 F142 Y143	V35-V37 HydrophobicContact CG1-CG2 4Å; V37-F39 HydrophobicContact CB-CE2 4.46Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE2 3.82Å; V37-F39 HydrophobicContact CG1-CZ 4.16Å; V37-I70 CarbonylContact C-O 3.58Å; V37-I70 VanDerWaalsContact CA-O 3.32Å; V37-I70 WeakPolarHBondContact CA-O 3.45Å; V37-I70 HydrophobicContact CG1-CB 4.37Å; V37-I70 HydrophobicContact CG2-CB 4.25Å; V37-I70 HydrophobicContact CG2-CD1 4.38Å; V37-I123 HydrophobicContact CG1-CD1 4.34Å; V37-I123 HydrophobicContact CG1-CG2 4.39Å; V37-I123 HydrophobicContact CG2-CG2 4.25Å; V37-I127 HydrophobicContact CG2-CD1 4.4Å; V37-I141 PolarHBondContact N-O 3.46Å; V37-F142 HydrophobicContact CB-CD1 3.78Å; V37-F142 HydrophobicContact CB-CE1 4.28Å; V37-F142 HydrophobicContact CG1-CD1 4.34Å; V37-F142 HydrophobicContact CG2-CD1 3.85Å; V37-F142 HydrophobicContact CG2-CE1 3.85Å; V37-Y143 PolarHBondContact O-N 3.23Å
38	I	98.5	Very high	89	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	97.9	-179	-51.9	174.9	0	0	0	108.8	F36 A41 A46 I50 Y51 L54 I69 I70 Y72 A145	F36-I38 HydrophobicContact CD1-CD1 4.26Å; F36-I38 HydrophobicContact CD1-CG1 3.65Å; F36-I38 HydrophobicContact CE1-CD1 4.33Å; F36-I38 HydrophobicContact CE1-CG1 3.75Å; I38-A41 HydrophobicContact CB-CB 4.29Å; I38-A41 HydrophobicContact CG2-CB 4.23Å; I38-A41 WeakPolarHBondContact O-CB 3.09Å; I38-A41 PolarHBondContact O-N 2.91Å; I38-A46 HydrophobicContact CG2-CB 4.04Å; I38-I50 HydrophobicContact CD1-CG2 3.98Å; I38-I50 HydrophobicContact CG1-CG2 4.37Å; I38-Y51 HydrophobicContact CD1-CD1 4.07Å; I38-Y51 HydrophobicContact CD1-CD2 4.25Å; I38-Y51 HydrophobicContact CD1-CE1 3.65Å; I38-Y51 HydrophobicContact CD1-CE2 3.86Å; I38-Y51 HydrophobicContact CD1-CG 4.33Å; I38-L54 HydrophobicContact CD1-CD1 3.77Å; I38-I69 HydrophobicContact CD1-CG2 3.83Å; I38-I69 HydrophobicContact CG1-CG2 4.33Å; I38-I70 PolarHBondContact N-O 3.04Å; I38-Y72 PolarHBondContact O-N 2.83Å; I38-A145 HydrophobicContact CG2-CB 4.44Å
39	F	98.3	Very high	90.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.8	168.4	-69	-88.4	0	0	0	109.2	V37 Y72 Y114 F120 I123 F142 Y143 L144 A145 V146 I154 I158	V37-F39 HydrophobicContact CB-CE2 4.46Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE2 3.82Å; V37-F39 HydrophobicContact CG1-CZ 4.16Å; F39-Y72 CarbonylContact C-O 3.55Å; F39-Y72 WeakPolarHBondContact CA-O 3.44Å; F39-Y72 AromaticContact CD1-CD1 3.42Å; F39-Y72 HydrophobicContact CD1-CD1 3.42Å; F39-Y72 VanDerWaalsContact CD1-CD1 3.42Å; F39-Y72 AromaticContact CD1-CE1 3.99Å; F39-Y72 HydrophobicContact CD1-CE1 3.99Å; F39-Y72 HydrophobicContact CD1-CG 4.06Å; F39-Y72 AromaticContact CE1-CD1 3.7Å; F39-Y72 HydrophobicContact CE1-CD1 3.7Å; F39-Y72 HydrophobicContact CE1-CE1 4.05Å; F39-Y72 HydrophobicContact CE1-CG 4.08Å; F39-Y72 HydrophobicContact CG-CD1 4.47Å; F39-Y114 HydrophobicContact CD1-CD1 4.28Å; F39-Y114 HydrophobicContact CD1-CE1 4.34Å; F39-F120 HydrophobicContact CE1-CD1 4.21Å; F39-F120 AromaticContact CE1-CE1 3.46Å; F39-F120 HydrophobicContact CE1-CE1 3.46Å; F39-F120 VanDerWaalsContact CE1-CE1 3.46Å; F39-F120 AromaticContact CE1-CZ 3.93Å; F39-F120 HydrophobicContact CE1-CZ 3.93Å; F39-F120 HydrophobicContact CZ-CD1 4.18Å; F39-F120 AromaticContact CZ-CE1 3.67Å; F39-F120 HydrophobicContact CZ-CE1 3.67Å; F39-I123 HydrophobicContact CE1-CD1 3.97Å; F39-I123 HydrophobicContact CZ-CD1 3.94Å; F39-F142 HydrophobicContact CE2-CB 4.2Å; F39-F142 AromaticContact CE2-CD1 3.91Å; F39-F142 HydrophobicContact CE2-CD1 3.91Å; F39-F142 HydrophobicContact CE2-CG 4.49Å; F39-Y143 PolarHBondContact N-O 3.42Å; F39-L144 HydrophobicContact CD2-CD1 4.25Å; F39-A145 CarbonylContact O-C 3.57Å; F39-A145 WeakPolarHBondContact O-CA 3.46Å; F39-A145 WeakPolarHBondContact O-CB 3.4Å; F39-A145 PolarHBondContact O-N 2.81Å; F39-V146 HydrophobicContact CB-CG1 4.05Å; F39-I154 HydrophobicContact CB-CD1 4.43Å; F39-I154 HydrophobicContact CD1-CD1 4.32Å; F39-I154 HydrophobicContact CD1-CG1 4.42Å; F39-I154 HydrophobicContact CD1-CG2 3.89Å; F39-I154 HydrophobicContact CD2-CG2 4.09Å; F39-I154 HydrophobicContact CE1-CG2 3.95Å; F39-I154 HydrophobicContact CE2-CG2 4.12Å; F39-I154 HydrophobicContact CG-CG2 3.98Å; F39-I154 HydrophobicContact CZ-CG2 4.06Å; F39-I158 HydrophobicContact CD2-CD1 4.35Å; F39-I158 HydrophobicContact CE2-CD1 3.55Å; F39-I158 HydrophobicContact CE2-CG1 3.95Å; F39-I158 HydrophobicContact CZ-CD1 3.89Å; F39-I158 HydrophobicContact CZ-CG1 3.8Å
40	G	97	Very high	92.3	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	28.7	-171.7	0	0	0	0	0	113	S42 G43 A46 Y72 Y114	G40-S42 PolarHBondContact O-N 3.08Å; G40-G43 WeakPolarHBondContact O-CA 3.45Å; G40-G43 PolarHBondContact O-N 3.39Å; G40-A46 WeakPolarHBondContact O-CB 3.46Å; G40-Y72 PolarHBondContact N-O 2.84Å; G40-Y114 WeakPolarHBondContact CA-OH 3.39Å; G40-Y114 PolarHBondContact N-OH 3.32Å
41	A	97.1	Very high	93.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.4	178.7	0	0	0	0	0	114.2	I38 G43 A46 Y51 G71 Y72 Y109	I38-A41 HydrophobicContact CB-CB 4.29Å; I38-A41 HydrophobicContact CG2-CB 4.23Å; I38-A41 WeakPolarHBondContact O-CB 3.09Å; I38-A41 PolarHBondContact O-N 2.91Å; A41-G43 VanDerWaalsContact C-N 3.3Å; A41-A46 WeakPolarHBondContact O-CB 3.49Å; A41-Y51 HydrophobicContact CB-CE2 4.03Å; A41-G71 VanDerWaalsContact CB-CA 3.48Å; A41-Y72 PolarHBondContact N-O 3.36Å; A41-Y109 HydrophobicContact CB-CD2 4.46Å; A41-Y109 HydrophobicContact CB-CE2 4.03Å
42	S	94.2	Very high	94.7	Very high	23 Å²	23	15.8 Å²	15.8	16%	0.161	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.7	174.8	70	0	0	0	0	113.8	G40 R47 A73	G40-S42 PolarHBondContact O-N 3.08Å; S42-R47 PolarHBondContact O-NE 3.38Å; S42-R47 PolarHBondContact O-NH2 3.07Å; S42-A73 WeakPolarHBondContact OG-CB 3.27Å
43	G	93.6	Very high	95	Very high	25 Å²	25	15.5 Å²	15.5	26%	0.258	8%	0.079	S	C	.	.	S	Bend	trans	-85.3	166.7	-176.1	0	0	0	0	0	114	G40 A41 A46 R47	G40-G43 WeakPolarHBondContact O-CA 3.45Å; G40-G43 PolarHBondContact O-N 3.39Å; A41-G43 VanDerWaalsContact C-N 3.3Å; G43-A46 PolarHBondContact O-N 3.34Å; G43-R47 WeakPolarHBondContact O-CG 3.13Å; G43-R47 PolarHBondContact O-N 2.86Å; G43-R47 VanDerWaalsContact O-N 3.12Å
44	D	90.8	Very high	95.1	Very high	73 Å²	73	15.5 Å²	15.5	39%	0.39	8%	0.079	S	C	.	.	H	α-helix	trans	-64.5	-44.1	-176.4	-165	61.7	0	0	0	112.6	A46 R47 R48	D44-A46 VanDerWaalsContact C-N 3.34Å; D44-A46 PolarHBondContact O-N 3.49Å; D44-R47 PolarHBondContact O-N 3.4Å; D44-R48 VanDerWaalsContact O-CB 3.32Å; D44-R48 WeakPolarHBondContact O-CB 3.22Å; D44-R48 WeakPolarHBondContact O-CG 3.33Å; D44-R48 PolarHBondContact O-N 3.4Å; D44-R48 WeakPolarHBondContact OD1-CD 3.35Å; D44-R48 IonicContact OD1-CZ 3.64Å; D44-R48 IonicContact OD1-NE 2.73Å; D44-R48 PolarHBondContact OD1-NE 2.86Å; D44-R48 IonicContact OD1-NH2 3.77Å; D44-R48 WeakPolarHBondContact OD2-CD 3.29Å; D44-R48 IonicContact OD2-NE 3.31Å; D44-R48 PolarHBondContact OD2-NE 3.48Å
45	L	91.9	Very high	95.1	Very high	24 Å²	24	14.9 Å²	14.9	13%	0.126	8%	0.076	C	C	.	.	H	α-helix	trans	-57.7	-45.6	175.5	175.6	62.2	0	0	0	111.9	V2 K49 I50 Y143 A145 E176	V2-L45 HydrophobicContact CG1-CD1 4.32Å; V2-L45 HydrophobicContact CG2-CB 3.6Å; V2-L45 HydrophobicContact CG2-CD1 3.46Å; V2-L45 VanDerWaalsContact CG2-CD1 3.46Å; V2-L45 HydrophobicContact CG2-CG 4.03Å; L45-K49 HydrophobicContact CD1-CB 3.94Å; L45-K49 HydrophobicContact CD1-CG 4.16Å; L45-K49 WeakPolarHBondContact O-CB 3.31Å; L45-K49 PolarHBondContact O-N 3.16Å; L45-I50 HydrophobicContact CD1-CD1 4.16Å; L45-I50 HydrophobicContact CG-CD1 4.21Å; L45-I50 HydrophobicContact CG-CG1 4.12Å; L45-I50 PolarHBondContact O-N 3.34Å; L45-I50 VanDerWaalsContact O-N 3.16Å; L45-Y143 HydrophobicContact CD2-CE1 4.29Å; L45-A145 HydrophobicContact CD2-CB 4Å; L45-A145 HydrophobicContact CG-CB 4.35Å; L45-E176 HydrophobicContact CD2-CG 4.03Å
46	A	95	Very high	94.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.076	C	C	.	.	I	π-helix	trans	-61.1	-49.1	179.2	0	0	0	0	0	111.4	I38 G40 A41 G43 D44 I50 Y51 A145	I38-A46 HydrophobicContact CG2-CB 4.04Å; G40-A46 WeakPolarHBondContact O-CB 3.46Å; A41-A46 WeakPolarHBondContact O-CB 3.49Å; G43-A46 PolarHBondContact O-N 3.34Å; D44-A46 VanDerWaalsContact C-N 3.34Å; D44-A46 PolarHBondContact O-N 3.49Å; A46-I50 PolarHBondContact O-N 3.44Å; A46-Y51 HydrophobicContact CB-CD2 4.26Å; A46-Y51 HydrophobicContact CB-CE2 4.31Å; A46-Y51 WeakPolarHBondContact O-CD2 3.44Å; A46-Y51 PolarHBondContact O-N 3.19Å; A46-A145 HydrophobicContact CB-CB 4.42Å
47	R	93.8	Very high	94.5	Very high	74 Å²	74	15 Å²	15	28%	0.279	8%	0.077	S	C	.	.	I	π-helix	trans	-70.4	-39.3	-176	-62.9	173.1	-161.7	-161	6.1	113.5	S42 G43 D44 P52 I86 F89	S42-R47 PolarHBondContact O-NE 3.38Å; S42-R47 PolarHBondContact O-NH2 3.07Å; G43-R47 WeakPolarHBondContact O-CG 3.13Å; G43-R47 PolarHBondContact O-N 2.86Å; G43-R47 VanDerWaalsContact O-N 3.12Å; D44-R47 PolarHBondContact O-N 3.4Å; R47-P52 VanDerWaalsContact O-CD 3.23Å; R47-P52 WeakPolarHBondContact O-CD 3.39Å; R47-P52 VanDerWaalsContact O-CG 3.27Å; R47-P52 WeakPolarHBondContact O-CG 3.47Å; R47-I86 HydrophobicContact CB-CG2 4.16Å; R47-I86 HydrophobicContact CG-CG2 4.19Å; R47-F89 WeakPolarHBondContact O-CD2 3.22Å
48	R	92.1	Very high	94.1	Very high	79 Å²	79	16.7 Å²	16.7	30%	0.298	8%	0.084	S	C	.	.	I	π-helix	trans	-87.8	-26.7	-174.2	-64.8	-170.5	-179.4	-128.7	-4	114.2	D44 F89	D44-R48 VanDerWaalsContact O-CB 3.32Å; D44-R48 WeakPolarHBondContact O-CB 3.22Å; D44-R48 WeakPolarHBondContact O-CG 3.33Å; D44-R48 PolarHBondContact O-N 3.4Å; D44-R48 WeakPolarHBondContact OD1-CD 3.35Å; D44-R48 IonicContact OD1-CZ 3.64Å; D44-R48 IonicContact OD1-NE 2.73Å; D44-R48 PolarHBondContact OD1-NE 2.86Å; D44-R48 IonicContact OD1-NH2 3.77Å; D44-R48 WeakPolarHBondContact OD2-CD 3.29Å; D44-R48 IonicContact OD2-NE 3.31Å; D44-R48 PolarHBondContact OD2-NE 3.48Å; R48-F89 HydrophobicContact CB-CD1 4.41Å; R48-F89 HydrophobicContact CG-CD1 4.13Å; R48-F89 HydrophobicContact CG-CD2 4.38Å; R48-F89 HydrophobicContact CG-CE1 3.77Å; R48-F89 HydrophobicContact CG-CE2 4.05Å; R48-F89 HydrophobicContact CG-CG 4.43Å; R48-F89 HydrophobicContact CG-CZ 3.73Å
49	K	91.5	Very high	93.7	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.035	9%	0.09	C	C	.	.	I	π-helix	trans	-124.7	-59.6	-174.6	-64	-67.3	-171.5	176.3	0	112	V2 C6 F10 L45 P52 T53 Y445	V2-K49 HydrophobicContact CG1-CG 3.84Å; C6-K49 VanDerWaalsContact SG-CE 3.52Å; C6-K49 PolarHBondContact SG-NZ 2.84Å; F10-K49 HydrophobicContact CE2-CD 3.61Å; F10-K49 HydrophobicContact CZ-CD 3.86Å; L45-K49 HydrophobicContact CD1-CB 3.94Å; L45-K49 HydrophobicContact CD1-CG 4.16Å; L45-K49 WeakPolarHBondContact O-CB 3.31Å; L45-K49 PolarHBondContact O-N 3.16Å; K49-P52 WeakPolarHBondContact O-CD 3.4Å; K49-T53 WeakPolarHBondContact O-CB 3.41Å; K49-T53 PolarHBondContact O-N 2.81Å; K49-T53 PolarHBondContact O-OG1 2.73Å; K49-Y445 HydrophobicContact CB-CD2 4.34Å; K49-Y445 HydrophobicContact CD-CD2 4.3Å; K49-Y445 HydrophobicContact CG-CD2 4.42Å; K49-Y445 HydrophobicContact CG-CE2 4.37Å
50	I	95.8	Very high	93.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-67.4	-50.6	-166.2	-47.4	-49	0	0	0	112.9	F36 I38 L45 A46 T53 L54 Y143 Y445 L449	F36-I50 HydrophobicContact CE1-CG2 4.11Å; F36-I50 HydrophobicContact CZ-CG2 4.47Å; I38-I50 HydrophobicContact CD1-CG2 3.98Å; I38-I50 HydrophobicContact CG1-CG2 4.37Å; L45-I50 HydrophobicContact CD1-CD1 4.16Å; L45-I50 HydrophobicContact CG-CD1 4.21Å; L45-I50 HydrophobicContact CG-CG1 4.12Å; L45-I50 PolarHBondContact O-N 3.34Å; L45-I50 VanDerWaalsContact O-N 3.16Å; A46-I50 PolarHBondContact O-N 3.44Å; I50-T53 PolarHBondContact O-N 2.67Å; I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.08Å; I50-Y143 HydrophobicContact CD1-CE1 3.74Å; I50-Y143 HydrophobicContact CD1-CE2 3.83Å; I50-Y143 WeakPolarHBondContact CD1-OH 3.35Å; I50-Y143 HydrophobicContact CG1-CD1 4.33Å; I50-Y143 HydrophobicContact CG1-CE1 3.9Å; I50-Y143 HydrophobicContact CG2-CD2 4.41Å; I50-Y143 HydrophobicContact CG2-CG 4.44Å; I50-Y445 HydrophobicContact CD1-CD1 3.98Å; I50-Y445 HydrophobicContact CD1-CE1 4.1Å; I50-L449 HydrophobicContact CG2-CD1 4.28Å
51	Y	95.7	Very high	92.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-49.3	176.6	-82.6	-71.4	0	0	0	112.3	I38 A41 A46 T53 L54 W55 I69 G71 L82 I86 N107	I38-Y51 HydrophobicContact CD1-CD1 4.07Å; I38-Y51 HydrophobicContact CD1-CD2 4.25Å; I38-Y51 HydrophobicContact CD1-CE1 3.65Å; I38-Y51 HydrophobicContact CD1-CE2 3.86Å; I38-Y51 HydrophobicContact CD1-CG 4.33Å; A41-Y51 HydrophobicContact CB-CE2 4.03Å; A46-Y51 HydrophobicContact CB-CD2 4.26Å; A46-Y51 HydrophobicContact CB-CE2 4.31Å; A46-Y51 WeakPolarHBondContact O-CD2 3.44Å; A46-Y51 PolarHBondContact O-N 3.19Å; Y51-T53 VanDerWaalsContact C-N 3.3Å; Y51-T53 PolarHBondContact O-N 2.81Å; Y51-L54 PolarHBondContact O-N 3.03Å; Y51-W55 WeakPolarHBondContact O-CB 3.44Å; Y51-W55 PolarHBondContact O-N 3.14Å; Y51-I69 HydrophobicContact CE1-CG2 3.86Å; Y51-G71 WeakPolarHBondContact OH-CA 3.37Å; Y51-L82 HydrophobicContact CE1-CD2 4.23Å; Y51-L82 HydrophobicContact CE2-CD1 4.25Å; Y51-L82 HydrophobicContact CE2-CD2 3.89Å; Y51-L82 HydrophobicContact CE2-CG 4.38Å; Y51-L82 WeakPolarHBondContact OH-CD2 3.26Å; Y51-I86 HydrophobicContact CD1-CD1 4.08Å; Y51-I86 HydrophobicContact CD2-CG2 3.93Å; Y51-I86 HydrophobicContact CG-CD1 4.06Å; Y51-I86 HydrophobicContact CG-CG2 4.01Å; Y51-N107 WeakPolarHBondContact CE1-OD1 3.39Å
52	P	94.1	Very high	92.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.5	-42.5	172.9	-31.9	39	0	0	0	113.8	F10 R47 K49 W55 C56 F89	F10-P52 HydrophobicContact CD1-CB 3.64Å; F10-P52 HydrophobicContact CE1-CB 3.41Å; F10-P52 VanDerWaalsContact CE1-CB 3.41Å; F10-P52 HydrophobicContact CZ-CB 4.46Å; R47-P52 VanDerWaalsContact O-CD 3.23Å; R47-P52 WeakPolarHBondContact O-CD 3.39Å; R47-P52 VanDerWaalsContact O-CG 3.27Å; R47-P52 WeakPolarHBondContact O-CG 3.47Å; K49-P52 WeakPolarHBondContact O-CD 3.4Å; P52-W55 WeakPolarHBondContact O-CB 3.47Å; P52-W55 PolarHBondContact O-N 3.19Å; P52-C56 PolarHBondContact O-N 2.77Å; P52-C56 PolarHBondContact O-SG 2.65Å; P52-F89 HydrophobicContact CB-CB 4.43Å; P52-F89 HydrophobicContact CG-CB 3.51Å
53	T	94.3	Very high	92.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-47.9	177.3	-68.5	0	0	0	0	111.8	F10 K49 I50 Y51 W55 C56 L57 Y445 E446 L449	F10-T53 WeakPolarHBondContact CZ-OG1 3.34Å; K49-T53 WeakPolarHBondContact O-CB 3.41Å; K49-T53 PolarHBondContact O-N 2.81Å; K49-T53 PolarHBondContact O-OG1 2.73Å; I50-T53 PolarHBondContact O-N 2.67Å; Y51-T53 VanDerWaalsContact C-N 3.3Å; Y51-T53 PolarHBondContact O-N 2.81Å; T53-W55 PolarHBondContact O-N 2.89Å; T53-C56 PolarHBondContact O-N 2.89Å; T53-L57 HydrophobicContact CG2-CD1 4.32Å; T53-L57 WeakPolarHBondContact O-CG 3.31Å; T53-L57 PolarHBondContact O-N 3.4Å; T53-Y445 WeakPolarHBondContact CG2-O 3.06Å; T53-E446 VanDerWaalsContact CG2-CA 3.44Å; T53-E446 HydrophobicContact CG2-CB 4.18Å; T53-E446 HydrophobicContact CG2-CG 3.75Å; T53-L449 HydrophobicContact CG2-CB 4.31Å; T53-L449 HydrophobicContact CG2-CD1 3.59Å; T53-L449 HydrophobicContact CG2-CG 4.13Å
54	L	95.2	Very high	92.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-35.6	176.8	-70.8	171.3	0	0	0	111.8	F36 I38 I50 Y51 F58 I69 F103 L449 F453	F36-L54 HydrophobicContact CD1-CD1 3.77Å; F36-L54 HydrophobicContact CD2-CD2 4.02Å; F36-L54 HydrophobicContact CE1-CD1 3.84Å; F36-L54 HydrophobicContact CE1-CD2 4.47Å; F36-L54 HydrophobicContact CE2-CD2 3.97Å; F36-L54 HydrophobicContact CG-CD1 4.21Å; F36-L54 HydrophobicContact CG-CD2 4.27Å; F36-L54 HydrophobicContact CZ-CD1 4.33Å; F36-L54 HydrophobicContact CZ-CD2 4.19Å; I38-L54 HydrophobicContact CD1-CD1 3.77Å; I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.08Å; Y51-L54 PolarHBondContact O-N 3.03Å; L54-F58 VanDerWaalsContact O-CB 3.29Å; L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 2.97Å; L54-I69 HydrophobicContact CB-CD1 4.13Å; L54-I69 HydrophobicContact CD1-CD1 3.9Å; L54-I69 HydrophobicContact CD1-CG1 4.36Å; L54-F103 HydrophobicContact CB-CE2 4.19Å; L54-F103 HydrophobicContact CB-CZ 4.17Å; L54-L449 HydrophobicContact CD2-CD1 4Å; L54-L449 HydrophobicContact CG-CD1 4.11Å; L54-F453 HydrophobicContact CD2-CE2 4.28Å
55	W	93.9	Very high	92	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-48.2	172.2	162.2	-116.4	0	0	0	111.9	Y51 P52 T53 L57 F58 R59 C90 V92 V96 A99 F100 F103	Y51-W55 WeakPolarHBondContact O-CB 3.44Å; Y51-W55 PolarHBondContact O-N 3.14Å; P52-W55 WeakPolarHBondContact O-CB 3.47Å; P52-W55 PolarHBondContact O-N 3.19Å; T53-W55 PolarHBondContact O-N 2.89Å; W55-L57 VanDerWaalsContact C-N 3.35Å; W55-L57 PolarHBondContact O-N 3.48Å; W55-F58 HydrophobicContact CE3-CD1 4.05Å; W55-F58 AromaticContact CZ3-CD1 3.79Å; W55-F58 HydrophobicContact CZ3-CD1 3.79Å; W55-F58 HydrophobicContact CZ3-CE1 4.32Å; W55-F58 WeakPolarHBondContact O-CB 3.28Å; W55-F58 PolarHBondContact O-N 3.21Å; W55-R59 HydrophobicContact CD2-CB 4.41Å; W55-R59 HydrophobicContact CE3-CB 4.41Å; W55-R59 HydrophobicContact CH2-CB 4.12Å; W55-R59 HydrophobicContact CH2-CG 4.35Å; W55-R59 HydrophobicContact CZ2-CB 4.1Å; W55-R59 HydrophobicContact CZ2-CG 4.17Å; W55-R59 HydrophobicContact CZ3-CB 4.26Å; W55-R59 WeakPolarHBondContact O-CB 3.26Å; W55-R59 PolarHBondContact O-N 2.88Å; W55-C90 HydrophobicContact CG-CB 4.29Å; W55-C90 PolarHBondContact NE1-O 2.83Å; W55-V92 HydrophobicContact CZ2-CG2 4.41Å; W55-V96 HydrophobicContact CH2-CB 4.31Å; W55-V96 HydrophobicContact CZ2-CB 4.16Å; W55-V96 HydrophobicContact CZ2-CG2 4Å; W55-A99 HydrophobicContact CH2-CB 3.86Å; W55-A99 HydrophobicContact CZ3-CB 4.25Å; W55-F100 AromaticContact CD2-CD2 3.62Å; W55-F100 HydrophobicContact CD2-CD2 3.62Å; W55-F100 HydrophobicContact CD2-CE2 4.2Å; W55-F100 AromaticContact CE2-CD2 3.82Å; W55-F100 AromaticContact CE3-CD2 3.71Å; W55-F100 HydrophobicContact CE3-CD2 3.71Å; W55-F100 HydrophobicContact CE3-CE2 4.5Å; W55-F100 HydrophobicContact CG-CD2 4.14Å; W55-F100 HydrophobicContact CG-CE2 4.25Å; W55-F100 HydrophobicContact CH2-CB 3.67Å; W55-F100 HydrophobicContact CH2-CD2 4.15Å; W55-F100 HydrophobicContact CH2-CG 4.44Å; W55-F100 VanDerWaalsContact CH2-N 3.29Å; W55-F100 HydrophobicContact CZ2-CB 4.04Å; W55-F100 HydrophobicContact CZ2-CD2 4.08Å; W55-F100 VanDerWaalsContact CZ3-CA 3.42Å; W55-F100 HydrophobicContact CZ3-CB 3.97Å; W55-F100 AromaticContact CZ3-CD2 3.99Å; W55-F100 HydrophobicContact CZ3-CD2 3.99Å; W55-F100 HydrophobicContact CZ3-CG 4.5Å; W55-F103 HydrophobicContact CB-CE1 4.16Å; W55-F103 HydrophobicContact CB-CZ 4.14Å; W55-F103 HydrophobicContact CE3-CB 3.86Å; W55-F103 HydrophobicContact CE3-CD1 4.21Å; W55-F103 HydrophobicContact CE3-CD2 4.35Å; W55-F103 AromaticContact CE3-CG 3.9Å; W55-F103 HydrophobicContact CE3-CG 3.9Å; W55-F103 HydrophobicContact CZ3-CB 3.97Å
56	C	90.8	Very high	92	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-56.6	-48.7	176.7	-68.9	0	0	0	0	111.4	P52 T53 F58 R59 D60 E446	P52-C56 PolarHBondContact O-N 2.77Å; P52-C56 PolarHBondContact O-SG 2.65Å; T53-C56 PolarHBondContact O-N 2.89Å; C56-F58 VanDerWaalsContact C-N 3.31Å; C56-F58 PolarHBondContact O-N 3.22Å; C56-R59 PolarHBondContact O-N 3.44Å; C56-D60 WeakPolarHBondContact O-CB 3.22Å; C56-D60 PolarHBondContact O-N 3.43Å; C56-E446 HydrophobicContact CB-CG 4.43Å; C56-E446 WeakPolarHBondContact CB-OE2 3.39Å
57	L	91.7	Very high	92	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-37.8	177.8	-64.2	176.6	0	0	0	112.3	T53 W55 K61 L62 L63 E446 L449 L450	T53-L57 HydrophobicContact CG2-CD1 4.32Å; T53-L57 WeakPolarHBondContact O-CG 3.31Å; T53-L57 PolarHBondContact O-N 3.4Å; W55-L57 VanDerWaalsContact C-N 3.35Å; W55-L57 PolarHBondContact O-N 3.48Å; L57-K61 PolarHBondContact O-N 2.93Å; L57-L62 HydrophobicContact CD2-CB 4.19Å; L57-L62 HydrophobicContact CD2-CD1 3.93Å; L57-L62 PolarHBondContact O-N 2.89Å; L57-L63 HydrophobicContact CB-CD1 4.19Å; L57-L63 HydrophobicContact CB-CD2 3.69Å; L57-L63 HydrophobicContact CB-CG 3.68Å; L57-L63 HydrophobicContact CD1-CD2 3.97Å; L57-L63 HydrophobicContact CG-CD2 4.47Å; L57-L63 PolarHBondContact O-N 2.73Å; L57-E446 HydrophobicContact CD2-CB 4.4Å; L57-L449 HydrophobicContact CD1-CB 3.99Å; L57-L450 HydrophobicContact CD1-CB 4.43Å; L57-L450 HydrophobicContact CD2-CB 4.2Å
58	F	91.7	Very high	92.1	Very high	35 Å²	35	20.7 Å²	20.7	15%	0.154	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-50	175.5	179.7	-92.1	0	0	0	112.1	L54 W55 C56 D60 K61 L63 A99 R102 F103 W106	L54-F58 VanDerWaalsContact O-CB 3.29Å; L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 2.97Å; W55-F58 HydrophobicContact CE3-CD1 4.05Å; W55-F58 AromaticContact CZ3-CD1 3.79Å; W55-F58 HydrophobicContact CZ3-CD1 3.79Å; W55-F58 HydrophobicContact CZ3-CE1 4.32Å; W55-F58 WeakPolarHBondContact O-CB 3.28Å; W55-F58 PolarHBondContact O-N 3.21Å; C56-F58 VanDerWaalsContact C-N 3.31Å; C56-F58 PolarHBondContact O-N 3.22Å; F58-D60 PolarHBondContact O-N 3.41Å; F58-K61 PolarHBondContact O-N 2.83Å; F58-L63 HydrophobicContact CB-CD1 3.98Å; F58-A99 WeakPolarHBondContact CE1-O 3.36Å; F58-R102 HydrophobicContact CZ-CG 4.32Å; F58-F103 HydrophobicContact CB-CD2 3.82Å; F58-F103 HydrophobicContact CB-CE2 4.26Å; F58-F103 HydrophobicContact CD1-CB 3.82Å; F58-F103 HydrophobicContact CD1-CD2 4.11Å; F58-F103 HydrophobicContact CD1-CG 4.4Å; F58-F103 HydrophobicContact CD2-CD2 4.17Å; F58-F103 HydrophobicContact CE1-CB 3.86Å; F58-F103 HydrophobicContact CG-CB 4.31Å; F58-F103 AromaticContact CG-CD2 3.76Å; F58-F103 HydrophobicContact CG-CD2 3.76Å; F58-F103 HydrophobicContact CG-CG 4.49Å; F58-F103 HydrophobicContact CZ-CB 4.38Å; F58-W106 AromaticContact CE2-CE3 3.82Å; F58-W106 HydrophobicContact CE2-CE3 3.82Å; F58-W106 HydrophobicContact CE2-CH2 4.44Å; F58-W106 AromaticContact CE2-CZ3 3.6Å; F58-W106 HydrophobicContact CE2-CZ3 3.6Å; F58-W106 HydrophobicContact CZ-CZ3 4.34Å
59	R	90.3	Very high	92.4	Very high	31 Å²	31	17.1 Å²	17.1	12%	0.117	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-41.7	178.6	179	-162.1	67.2	-166.9	-7.7	111.1	G11 S12 W55 C56 K61 V96	G11-R59 PolarHBondContact O-NH1 3.25Å; S12-R59 PolarHBondContact O-NH2 3.19Å; W55-R59 HydrophobicContact CD2-CB 4.41Å; W55-R59 HydrophobicContact CE3-CB 4.41Å; W55-R59 HydrophobicContact CH2-CB 4.12Å; W55-R59 HydrophobicContact CH2-CG 4.35Å; W55-R59 HydrophobicContact CZ2-CB 4.1Å; W55-R59 HydrophobicContact CZ2-CG 4.17Å; W55-R59 HydrophobicContact CZ3-CB 4.26Å; W55-R59 WeakPolarHBondContact O-CB 3.26Å; W55-R59 PolarHBondContact O-N 2.88Å; C56-R59 PolarHBondContact O-N 3.44Å; R59-K61 PolarHBondContact O-N 2.82Å; R59-V96 HydrophobicContact CG-CG1 4.43Å
60	D	87.5	Confident	92.7	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.4	-177.3	-62.1	-13.9	0	0	0	112.4	L14 I19 C56 F58 L62	L14-D60 HydrophobicContact CD1-CB 4.39Å; L14-D60 PolarHBondContact N-OD2 3.04Å; I19-D60 HydrophobicContact CD1-CB 4Å; I19-D60 HydrophobicContact CG1-CB 4.32Å; I19-D60 WeakPolarHBondContact CG2-O 3.23Å; C56-D60 WeakPolarHBondContact O-CB 3.22Å; C56-D60 PolarHBondContact O-N 3.43Å; F58-D60 PolarHBondContact O-N 3.41Å; D60-L62 VanDerWaalsContact C-N 3.26Å; D60-L62 HydrophobicContact CB-CD1 4.23Å; D60-L62 HydrophobicContact CB-CG 4.24Å; D60-L62 PolarHBondContact O-N 3.18Å
61	K	89.5	Confident	92.8	Very high	154 Å²	154	16.7 Å²	16.7	67%	0.67	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	37.6	177.2	-54.2	179.5	-179.2	179.2	0	112.9	K23 L57 F58 R59	K23-K61 WeakPolarHBondContact CE-O 3.39Å; L57-K61 PolarHBondContact O-N 2.93Å; F58-K61 PolarHBondContact O-N 2.83Å; R59-K61 PolarHBondContact O-N 2.82Å
62	L	90.3	Very high	92.9	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	9%	0.088	C	C	.	.			trans	-95.2	-15.5	177	-63.6	176	0	0	0	112.4	L14 I19 L22 K23 L26 L57 D60 L450	L14-L62 HydrophobicContact CD1-CD1 3.67Å; I19-L62 HydrophobicContact CG2-CD2 4.24Å; L22-L62 HydrophobicContact CB-CD2 3.72Å; L22-L62 HydrophobicContact CD1-CD1 3.77Å; L22-L62 HydrophobicContact CD1-CD2 4.06Å; K23-L62 HydrophobicContact CG-CD2 4.38Å; L26-L62 HydrophobicContact CD1-CD2 4.37Å; L57-L62 HydrophobicContact CD2-CB 4.19Å; L57-L62 HydrophobicContact CD2-CD1 3.93Å; L57-L62 PolarHBondContact O-N 2.89Å; D60-L62 VanDerWaalsContact C-N 3.26Å; D60-L62 HydrophobicContact CB-CD1 4.23Å; D60-L62 HydrophobicContact CB-CG 4.24Å; D60-L62 PolarHBondContact O-N 3.18Å; L62-L450 HydrophobicContact CB-CD1 4.04Å; L62-L450 HydrophobicContact CD1-CD2 4.31Å; L62-L450 WeakPolarHBondContact O-CD1 3.37Å
63	L	91.1	Very high	93	Very high	17 Å²	17	16.7 Å²	16.7	9%	0.089	9%	0.088	C	C	.	.	S	Bend	trans	-83.2	149.4	170.7	-59.7	-177.3	0	0	0	111.1	L57 F58 A65 T67 F453	L57-L63 HydrophobicContact CB-CD1 4.19Å; L57-L63 HydrophobicContact CB-CD2 3.69Å; L57-L63 HydrophobicContact CB-CG 3.68Å; L57-L63 HydrophobicContact CD1-CD2 3.97Å; L57-L63 HydrophobicContact CG-CD2 4.47Å; L57-L63 PolarHBondContact O-N 2.73Å; F58-L63 HydrophobicContact CB-CD1 3.98Å; L63-A65 PolarHBondContact O-N 2.82Å; L63-T67 HydrophobicContact CD1-CG2 4.19Å; L63-F453 HydrophobicContact CD2-CD2 3.86Å; L63-F453 HydrophobicContact CD2-CE1 4.28Å; L63-F453 HydrophobicContact CD2-CE2 3.56Å; L63-F453 HydrophobicContact CD2-CG 4.38Å; L63-F453 HydrophobicContact CD2-CZ 3.78Å
64	P	89.6	Confident	93.1	Very high	7 Å²	7	25 Å²	25	5%	0.045	12%	0.119	C	C	.	.			trans	-51.6	140.8	166.4	-25.8	34.8	0	0	0	111.3	T28 A66 T67 F453	T28-P64 HydrophobicContact CG2-CG 4.19Å; P64-A66 PolarHBondContact O-N 2.93Å; P64-A66 VanDerWaalsContact O-N 3.11Å; P64-T67 WeakPolarHBondContact O-CB 3.43Å; P64-T67 PolarHBondContact O-N 2.78Å; P64-T67 PolarHBondContact O-OG1 2.85Å; P64-F453 HydrophobicContact CG-CD1 4.13Å
65	A	86.6	Confident	93.1	Very high	64 Å²	64	27.7 Å²	27.7	53%	0.529	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32	-173.7	0	0	0	0	0	112.9	L63 T67 W106	L63-A65 PolarHBondContact O-N 2.82Å; A65-T67 PolarHBondContact O-N 2.95Å; A65-W106 WeakPolarHBondContact O-CH2 3.3Å; A65-W106 WeakPolarHBondContact O-CZ3 3.28Å
66	A	91.4	Very high	93.1	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	57.6	177.5	0	0	0	0	0	112.6	P33 H34 P64 F68 F134	P33-A66 CarbonylContact C-O 3.44Å; P33-A66 WeakPolarHBondContact CA-O 3.41Å; P33-A66 HydrophobicContact CB-CB 4.33Å; H34-A66 PolarHBondContact N-O 3.05Å; P64-A66 PolarHBondContact O-N 2.93Å; P64-A66 VanDerWaalsContact O-N 3.11Å; A66-F68 HydrophobicContact CB-CE2 4.41Å; A66-F134 HydrophobicContact CB-CD1 4.33Å; A66-F134 HydrophobicContact CB-CE1 3.6Å; A66-F134 HydrophobicContact CB-CZ 3.71Å
67	T	94.6	Very high	93.2	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.8	178.5	-60.7	0	0	0	0	112.2	H34 L63 P64 A65 F453	H34-T67 CarbonylContact O-C 3.51Å; H34-T67 WeakPolarHBondContact O-CA 3.29Å; L63-T67 HydrophobicContact CD1-CG2 4.19Å; P64-T67 WeakPolarHBondContact O-CB 3.43Å; P64-T67 PolarHBondContact O-N 2.78Å; P64-T67 PolarHBondContact O-OG1 2.85Å; A65-T67 PolarHBondContact O-N 2.95Å; T67-F453 HydrophobicContact CG2-CE1 4.09Å; T67-F453 HydrophobicContact CG2-CZ 4.07Å
68	F	96.4	Very high	93.3	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.3	178.6	-61.3	-90.1	0	0	0	110.9	H34 V35 F36 A66 W106 I130 F134	H34-F68 PolarHBondContact O-N 3.37Å; V35-F68 CarbonylContact C-O 3.51Å; V35-F68 WeakPolarHBondContact CA-O 3.32Å; V35-F68 HydrophobicContact CG2-CB 4.44Å; F36-F68 PolarHBondContact N-O 3.35Å; A66-F68 HydrophobicContact CB-CE2 4.41Å; F68-W106 HydrophobicContact CD1-CB 4.11Å; F68-W106 HydrophobicContact CD1-CG 4.31Å; F68-W106 HydrophobicContact CE1-CG 4.23Å; F68-I130 HydrophobicContact CB-CD1 3.65Å; F68-I130 HydrophobicContact CD1-CD1 4.16Å; F68-I130 HydrophobicContact CD1-CG1 4.35Å; F68-I130 HydrophobicContact CD2-CD1 4.13Å; F68-I130 HydrophobicContact CD2-CG1 4.35Å; F68-I130 HydrophobicContact CD2-CG2 3.54Å; F68-I130 HydrophobicContact CE2-CG2 3.61Å; F68-I130 HydrophobicContact CG-CD1 3.7Å; F68-I130 HydrophobicContact CG-CG1 4.17Å; F68-I130 HydrophobicContact CG-CG2 4.2Å; F68-I130 HydrophobicContact CZ-CG2 4.32Å; F68-F134 HydrophobicContact CE2-CD2 4.43Å; F68-F134 AromaticContact CE2-CE2 3.56Å; F68-F134 HydrophobicContact CE2-CE2 3.56Å; F68-F134 HydrophobicContact CE2-CZ 4Å; F68-F134 AromaticContact CZ-CE2 3.56Å; F68-F134 HydrophobicContact CZ-CE2 3.56Å; F68-F134 AromaticContact CZ-CZ 3.96Å; F68-F134 HydrophobicContact CZ-CZ 3.96Å
69	I	97.8	Very high	93.4	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.4	-178.9	-59.9	168.1	0	0	0	109.6	F36 I38 Y51 L54 F103 W106 N107 T108	F36-I69 HydrophobicContact CB-CG1 4.39Å; F36-I69 CarbonylContact O-C 3.55Å; F36-I69 WeakPolarHBondContact O-CA 3.32Å; I38-I69 HydrophobicContact CD1-CG2 3.83Å; I38-I69 HydrophobicContact CG1-CG2 4.33Å; Y51-I69 HydrophobicContact CE1-CG2 3.86Å; L54-I69 HydrophobicContact CB-CD1 4.13Å; L54-I69 HydrophobicContact CD1-CD1 3.9Å; L54-I69 HydrophobicContact CD1-CG1 4.36Å; I69-F103 HydrophobicContact CD1-CD2 4.26Å; I69-F103 HydrophobicContact CD1-CE2 3.28Å; I69-F103 HydrophobicContact CD1-CZ 3.45Å; I69-F103 VanDerWaalsContact CD1-CZ 3.45Å; I69-W106 PolarHBondContact N-O 3.03Å; I69-N107 WeakPolarHBondContact CB-OD1 3.32Å; I69-N107 WeakPolarHBondContact CG2-OD1 3.15Å; I69-N107 CarbonylContact O-C 3.6Å; I69-N107 VanDerWaalsContact O-CA 3.3Å; I69-N107 WeakPolarHBondContact O-CA 3.36Å; I69-T108 PolarHBondContact O-N 2.93Å; I69-T108 PolarHBondContact O-OG1 2.85Å
70	I	97.9	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.9	176.2	-50.7	-176.5	0	0	0	108.2	V35 F36 V37 I38 T108 V110 H126 I127	V35-I70 HydrophobicContact CG1-CD1 3.6Å; V35-I70 HydrophobicContact CG1-CG1 3.81Å; F36-I70 PolarHBondContact O-N 3.49Å; V37-I70 CarbonylContact C-O 3.58Å; V37-I70 VanDerWaalsContact CA-O 3.32Å; V37-I70 WeakPolarHBondContact CA-O 3.45Å; V37-I70 HydrophobicContact CG1-CB 4.37Å; V37-I70 HydrophobicContact CG2-CB 4.25Å; V37-I70 HydrophobicContact CG2-CD1 4.38Å; I38-I70 PolarHBondContact N-O 3.04Å; I70-T108 WeakPolarHBondContact CA-O 3.34Å; I70-V110 HydrophobicContact CG2-CG2 4Å; I70-H126 HydrophobicContact CD1-CB 3.84Å; I70-I127 HydrophobicContact CD1-CG1 3.95Å
71	G	98	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.4	168.9	0	0	0	0	0	110.8	A41 Y51 T108 Y109 V110	A41-G71 VanDerWaalsContact CB-CA 3.48Å; Y51-G71 WeakPolarHBondContact OH-CA 3.37Å; G71-T108 PolarHBondContact N-O 2.95Å; G71-Y109 CarbonylContact O-C 3.58Å; G71-Y109 WeakPolarHBondContact O-CA 3.38Å; G71-V110 PolarHBondContact O-N 3.05Å
72	Y	98.2	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.6	176.8	-177	-84.6	0	0	0	111.5	I38 F39 G40 A41 V110 G112 A113 Y114 I123	I38-Y72 PolarHBondContact O-N 2.83Å; F39-Y72 CarbonylContact C-O 3.55Å; F39-Y72 WeakPolarHBondContact CA-O 3.44Å; F39-Y72 AromaticContact CD1-CD1 3.42Å; F39-Y72 HydrophobicContact CD1-CD1 3.42Å; F39-Y72 VanDerWaalsContact CD1-CD1 3.42Å; F39-Y72 AromaticContact CD1-CE1 3.99Å; F39-Y72 HydrophobicContact CD1-CE1 3.99Å; F39-Y72 HydrophobicContact CD1-CG 4.06Å; F39-Y72 AromaticContact CE1-CD1 3.7Å; F39-Y72 HydrophobicContact CE1-CD1 3.7Å; F39-Y72 HydrophobicContact CE1-CE1 4.05Å; F39-Y72 HydrophobicContact CE1-CG 4.08Å; F39-Y72 HydrophobicContact CG-CD1 4.47Å; G40-Y72 PolarHBondContact N-O 2.84Å; A41-Y72 PolarHBondContact N-O 3.36Å; Y72-V110 WeakPolarHBondContact CA-O 3.46Å; Y72-V110 HydrophobicContact CD2-CB 3.93Å; Y72-V110 HydrophobicContact CD2-CG1 3.82Å; Y72-V110 WeakPolarHBondContact CD2-O 3.45Å; Y72-V110 HydrophobicContact CE2-CG1 3.98Å; Y72-G112 WeakPolarHBondContact OH-CA 3.47Å; Y72-A113 PolarHBondContact OH-N 3.08Å; Y72-A113 PolarHBondContact OH-O 2.84Å; Y72-Y114 HydrophobicContact CD1-CD1 4.04Å; Y72-Y114 AromaticContact CD1-CE1 3.76Å; Y72-Y114 HydrophobicContact CD1-CE1 3.76Å; Y72-Y114 AromaticContact CE1-CD1 3.62Å; Y72-Y114 HydrophobicContact CE1-CD1 3.62Å; Y72-Y114 AromaticContact CE1-CE1 3.76Å; Y72-Y114 HydrophobicContact CE1-CE1 3.76Å; Y72-I123 HydrophobicContact CD2-CD1 3.31Å; Y72-I123 HydrophobicContact CD2-CG1 3.77Å; Y72-I123 HydrophobicContact CE2-CD1 3.67Å; Y72-I123 HydrophobicContact CE2-CG1 4.22Å; Y72-I123 HydrophobicContact CG-CD1 3.84Å
73	A	97.2	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	173.5	172.2	0	0	0	0	0	112.2	S42 Y109 V110 Q111 G112	S42-A73 WeakPolarHBondContact OG-CB 3.27Å; A73-Y109 WeakPolarHBondContact CB-OH 3.48Å; A73-V110 PolarHBondContact N-O 3.48Å; A73-Q111 WeakPolarHBondContact O-CA 3.38Å; A73-G112 CarbonylContact C-O 3.57Å; A73-G112 PolarHBondContact O-N 3.19Å
74	R	95.5	Very high	94.2	Very high	175 Å²	175	40.3 Å²	40.3	66%	0.66	24%	0.238	S	C	*	.	S	Bend	trans	-69.4	-30.6	178.9	-67.1	-179	-68.6	179.9	-0.8	113.5	Q111 G112 Y114	R74-Q111 WeakPolarHBondContact O-CG 3.33Å; R74-Q111 PolarHBondContact O-NE2 3.3Å; R74-G112 WeakPolarHBondContact CA-O 3.44Å; R74-G112 PolarHBondContact N-O 3.2Å; R74-Y114 HydrophobicContact CG-CE2 4.4Å
75	S	94.8	Very high	94.3	Very high	55 Å²	55	41.9 Å²	41.9	39%	0.385	25%	0.247	S	C	.	.	S	Bend	trans	-66.7	134.9	-178.2	-59.4	0	0	0	0	110.9	L77 Y109	S75-L77 PolarHBondContact O-N 2.88Å; S75-L77 VanDerWaalsContact O-N 3.08Å; S75-Y109 VanDerWaalsContact O-CE1 3.26Å; S75-Y109 WeakPolarHBondContact O-CE1 3.39Å; S75-Y109 PolarHBondContact O-OH 2.81Å
76	A	93.5	Very high	94.6	Very high	78 Å²	78	38.9 Å²	38.9	65%	0.645	22%	0.222	S	C	*	.			trans	-75.9	92.5	171.3	0	0	0	0	0	109.2
77	L	93.8	Very high	94.6	Very high	48 Å²	48	42.5 Å²	42.5	25%	0.251	24%	0.24	S	C	.	.			trans	-117.8	154.7	176.8	-62.7	177.1	0	0	0	110.1	S75 L82 Y109	S75-L77 PolarHBondContact O-N 2.88Å; S75-L77 VanDerWaalsContact O-N 3.08Å; L77-L82 HydrophobicContact CD1-CD1 4.47Å; L77-Y109 HydrophobicContact CB-CD1 4.29Å; L77-Y109 HydrophobicContact CB-CE1 3.87Å; L77-Y109 HydrophobicContact CB-CE2 4.18Å; L77-Y109 HydrophobicContact CD1-CE2 4.3Å; L77-Y109 WeakPolarHBondContact O-CD1 3.42Å
78	T	94.1	Very high	94.4	Very high	85 Å²	85	46.7 Å²	46.7	52%	0.521	27%	0.268	S	S	.	.			trans	-101.1	161.4	164.1	67.9	0	0	0	0	109.7	S80 S81 L82	T78-S80 PolarHBondContact O-N 2.96Å; T78-S81 PolarHBondContact N-OG 3.45Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.44Å; T78-S81 PolarHBondContact OG1-N 3.2Å; T78-S81 VanDerWaalsContact OG1-N 3.11Å; T78-S81 PolarHBondContact OG1-OG 2.89Å; T78-L82 WeakPolarHBondContact O-CB 3.49Å; T78-L82 PolarHBondContact O-N 3.45Å
79	V	94	Very high	94.1	Very high	40 Å²	40	49 Å²	49	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-36.3	173.2	177.9	0	0	0	0	110.9	L82 A83 N107	V79-L82 PolarHBondContact O-N 3.03Å; V79-A83 WeakPolarHBondContact O-CB 3.45Å; V79-A83 PolarHBondContact O-N 3.1Å; V79-N107 HydrophobicContact CG1-CB 3.92Å
80	S	93.7	Very high	93.4	Very high	79 Å²	79	48.9 Å²	48.9	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-50.4	175.6	-166.3	0	0	0	0	112	T78 L82 A83 E84	T78-S80 PolarHBondContact O-N 2.96Å; S80-L82 PolarHBondContact O-N 3.35Å; S80-A83 WeakPolarHBondContact O-CB 3.3Å; S80-A83 PolarHBondContact O-N 3.24Å; S80-E84 PolarHBondContact O-N 3.39Å; S80-E84 VanDerWaalsContact O-N 3.13Å
81	S	93.8	Very high	92.5	Very high	33 Å²	33	54.5 Å²	54.5	23%	0.231	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-31.1	177.9	62.7	0	0	0	0	112.4	T78 T85	T78-S81 PolarHBondContact N-OG 3.45Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.44Å; T78-S81 PolarHBondContact OG1-N 3.2Å; T78-S81 VanDerWaalsContact OG1-N 3.11Å; T78-S81 PolarHBondContact OG1-OG 2.89Å; S81-T85 WeakPolarHBondContact O-CG2 3.27Å
82	L	92.8	Very high	91.3	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-70.7	-43.1	175.3	-176.7	64.2	0	0	0	110.7	Y51 L77 T78 V79 S80 E84 T85 I86 Y109	Y51-L82 HydrophobicContact CE1-CD2 4.23Å; Y51-L82 HydrophobicContact CE2-CD1 4.25Å; Y51-L82 HydrophobicContact CE2-CD2 3.89Å; Y51-L82 HydrophobicContact CE2-CG 4.38Å; Y51-L82 WeakPolarHBondContact OH-CD2 3.26Å; L77-L82 HydrophobicContact CD1-CD1 4.47Å; T78-L82 WeakPolarHBondContact O-CB 3.49Å; T78-L82 PolarHBondContact O-N 3.45Å; V79-L82 PolarHBondContact O-N 3.03Å; S80-L82 PolarHBondContact O-N 3.35Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 3.43Å; L82-T85 PolarHBondContact O-N 3.01Å; L82-T85 PolarHBondContact O-OG1 2.88Å; L82-I86 HydrophobicContact CD1-CG2 4.45Å; L82-I86 PolarHBondContact O-N 3.47Å; L82-I86 VanDerWaalsContact O-N 3.15Å; L82-Y109 HydrophobicContact CD2-CD2 4.08Å
83	A	92.5	Very high	90.2	Very high	12 Å²	12	62 Å²	62	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-54.6	-46.1	177.1	0	0	0	0	0	111.6	V79 S80 T85 I86 L87 L104	V79-A83 WeakPolarHBondContact O-CB 3.45Å; V79-A83 PolarHBondContact O-N 3.1Å; S80-A83 WeakPolarHBondContact O-CB 3.3Å; S80-A83 PolarHBondContact O-N 3.24Å; A83-T85 PolarHBondContact O-N 2.95Å; A83-I86 VanDerWaalsContact O-CG1 3.31Å; A83-I86 WeakPolarHBondContact O-CG1 3.35Å; A83-I86 PolarHBondContact O-N 2.81Å; A83-I86 VanDerWaalsContact O-N 3.14Å; A83-L87 WeakPolarHBondContact O-CB 3.28Å; A83-L87 PolarHBondContact O-N 3.41Å; A83-L104 HydrophobicContact CB-CD1 3.64Å; A83-L104 HydrophobicContact CB-CD2 3.82Å; A83-L104 HydrophobicContact CB-CG 4.39Å
84	E	93	Very high	89.1	Confident	135 Å²	135	67.7 Å²	67.7	63%	0.631	37%	0.37	S	S	*	.	H	α-helix	trans	-56.5	-36	175.8	-70.7	170.2	-159.3	0	0	112.5	S80 L82 P88	S80-E84 PolarHBondContact O-N 3.39Å; S80-E84 VanDerWaalsContact O-N 3.13Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 3.43Å; E84-P88 WeakPolarHBondContact O-CD 3.42Å
85	T	91.4	Very high	88.1	Confident	40 Å²	40	67.2 Å²	67.2	25%	0.245	38%	0.376	C	S	.	.	H	α-helix	trans	-80.4	-22.5	-179.3	68.9	0	0	0	0	114.3	S81 L82 A83 F89	S81-T85 WeakPolarHBondContact O-CG2 3.27Å; L82-T85 PolarHBondContact O-N 3.01Å; L82-T85 PolarHBondContact O-OG1 2.88Å; A83-T85 PolarHBondContact O-N 2.95Å; T85-F89 WeakPolarHBondContact O-CE2 3.36Å
86	I	92.8	Very high	87.3	Confident	1 Å²	1	66 Å²	66	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-97.8	-25.3	-179.5	66.6	173.2	0	0	0	112.6	R47 Y51 L82 A83 P88 F89 C90 F100 L104	R47-I86 HydrophobicContact CB-CG2 4.16Å; R47-I86 HydrophobicContact CG-CG2 4.19Å; Y51-I86 HydrophobicContact CD1-CD1 4.08Å; Y51-I86 HydrophobicContact CD2-CG2 3.93Å; Y51-I86 HydrophobicContact CG-CD1 4.06Å; Y51-I86 HydrophobicContact CG-CG2 4.01Å; L82-I86 HydrophobicContact CD1-CG2 4.45Å; L82-I86 PolarHBondContact O-N 3.47Å; L82-I86 VanDerWaalsContact O-N 3.15Å; A83-I86 VanDerWaalsContact O-CG1 3.31Å; A83-I86 WeakPolarHBondContact O-CG1 3.35Å; A83-I86 PolarHBondContact O-N 2.81Å; A83-I86 VanDerWaalsContact O-N 3.14Å; I86-P88 VanDerWaalsContact C-N 3.34Å; I86-F89 PolarHBondContact O-N 3.26Å; I86-C90 PolarHBondContact O-N 3.12Å; I86-C90 VanDerWaalsContact O-N 3.13Å; I86-C90 PolarHBondContact O-SG 3.49Å; I86-F100 HydrophobicContact CD1-CZ 4.38Å; I86-F100 HydrophobicContact CG1-CZ 4.45Å; I86-L104 HydrophobicContact CD1-CD2 4.3Å
87	L	90.7	Very high	86.8	Confident	82 Å²	82	67.5 Å²	67.5	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-51.3	-43.6	-178.1	-174.3	71.9	0	0	0	113.2	A83 F89 C90 V92 F100	A83-L87 WeakPolarHBondContact O-CB 3.28Å; A83-L87 PolarHBondContact O-N 3.41Å; L87-F89 PolarHBondContact O-N 3.05Å; L87-F89 VanDerWaalsContact O-N 3.12Å; L87-C90 PolarHBondContact O-N 3.27Å; L87-V92 HydrophobicContact CD1-CB 4.11Å; L87-V92 HydrophobicContact CD1-CG2 3.79Å; L87-F100 HydrophobicContact CD1-CD1 4.11Å; L87-F100 HydrophobicContact CD1-CE1 3.55Å; L87-F100 HydrophobicContact CD1-CZ 4.04Å
88	P	90.3	Very high	86.5	Confident	93 Å²	93	72.3 Å²	72.3	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-60.7	-25.2	178.7	-24	35.4	0	0	0	114	E84 I86	E84-P88 WeakPolarHBondContact O-CD 3.42Å; I86-P88 VanDerWaalsContact C-N 3.34Å
89	F	89.7	Confident	86.2	Confident	64 Å²	64	69.6 Å²	69.6	28%	0.281	37%	0.367	S	S	.	.	H	α-helix	trans	-97	-17.1	-178	-54.1	-73.1	0	0	0	112.9	R47 R48 P52 T85 I86 L87	R47-F89 WeakPolarHBondContact O-CD2 3.22Å; R48-F89 HydrophobicContact CB-CD1 4.41Å; R48-F89 HydrophobicContact CG-CD1 4.13Å; R48-F89 HydrophobicContact CG-CD2 4.38Å; R48-F89 HydrophobicContact CG-CE1 3.77Å; R48-F89 HydrophobicContact CG-CE2 4.05Å; R48-F89 HydrophobicContact CG-CG 4.43Å; R48-F89 HydrophobicContact CG-CZ 3.73Å; P52-F89 HydrophobicContact CB-CB 4.43Å; P52-F89 HydrophobicContact CG-CB 3.51Å; T85-F89 WeakPolarHBondContact O-CE2 3.36Å; I86-F89 PolarHBondContact O-N 3.26Å; L87-F89 PolarHBondContact O-N 3.05Å; L87-F89 VanDerWaalsContact O-N 3.12Å
90	C	84.6	Confident	86.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-82.7	-12.3	-180	-65.2	0	0	0	0	113.6	W55 I86 L87 V92 F100	W55-C90 HydrophobicContact CG-CB 4.29Å; W55-C90 PolarHBondContact NE1-O 2.83Å; I86-C90 PolarHBondContact O-N 3.12Å; I86-C90 VanDerWaalsContact O-N 3.13Å; I86-C90 PolarHBondContact O-SG 3.49Å; L87-C90 PolarHBondContact O-N 3.27Å; C90-V92 HydrophobicContact CB-CG2 3.78Å; C90-V92 PolarHBondContact O-N 2.96Å; C90-V92 VanDerWaalsContact O-N 3.15Å; C90-F100 HydrophobicContact CB-CE2 4.01Å; C90-F100 HydrophobicContact CB-CZ 4.45Å
91	R	77.3	Confident	86	Confident	119 Å²	119	70.5 Å²	70.5	45%	0.449	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.7	47.2	-176.7	-58.5	-155.5	-167.4	154.8	3.2	113.4	K8 F10 Q93	K8-R91 VanDerWaalsContact O-CZ 3.24Å; K8-R91 PolarHBondContact O-NH1 3.5Å; K8-R91 PolarHBondContact O-NH2 2.64Å; F10-R91 WeakPolarHBondContact O-CD 3.44Å; F10-R91 VanDerWaalsContact O-CG 3.22Å; F10-R91 WeakPolarHBondContact O-CG 3.37Å; F10-R91 PolarHBondContact O-NE 3.34Å; F10-R91 PolarHBondContact O-NH1 3.22Å; R91-Q93 PolarHBondContact O-N 3.26Å; R91-Q93 VanDerWaalsContact O-N 3.12Å
92	V	74.1	Confident	85.9	Confident	36 Å²	36	75.5 Å²	75.5	22%	0.218	37%	0.374	C	S	.	.			trans	-64	114.2	179.4	-175.6	0	0	0	0	108.4	W55 L87 C90 V96 F100	W55-V92 HydrophobicContact CZ2-CG2 4.41Å; L87-V92 HydrophobicContact CD1-CB 4.11Å; L87-V92 HydrophobicContact CD1-CG2 3.79Å; C90-V92 HydrophobicContact CB-CG2 3.78Å; C90-V92 PolarHBondContact O-N 2.96Å; C90-V92 VanDerWaalsContact O-N 3.15Å; V92-V96 HydrophobicContact CG1-CG2 4.12Å; V92-F100 HydrophobicContact CG1-CB 3.86Å; V92-F100 HydrophobicContact CG1-CG 4.16Å; V92-F100 HydrophobicContact CG2-CB 4.15Å; V92-F100 HydrophobicContact CG2-CD1 3.98Å; V92-F100 HydrophobicContact CG2-CD2 3.56Å; V92-F100 HydrophobicContact CG2-CE1 4.24Å; V92-F100 HydrophobicContact CG2-CE2 3.86Å; V92-F100 HydrophobicContact CG2-CG 3.62Å; V92-F100 HydrophobicContact CG2-CZ 4.18Å
93	Q	75.5	Confident	85.9	Confident	120 Å²	120	75.4 Å²	75.4	56%	0.561	37%	0.373	S	S	*	.			trans	-83.7	157.5	170.7	-66.6	178.2	-14.7	0	0	109.4	R91 E95 V96 E97	R91-Q93 PolarHBondContact O-N 3.26Å; R91-Q93 VanDerWaalsContact O-N 3.12Å; Q93-E95 PolarHBondContact O-N 3.4Å; Q93-E95 VanDerWaalsContact O-N 3.08Å; Q93-V96 HydrophobicContact CB-CG2 4.33Å; Q93-V96 VanDerWaalsContact O-CG2 3.22Å; Q93-V96 WeakPolarHBondContact O-CG2 3.2Å; Q93-V96 PolarHBondContact O-N 3.23Å; Q93-E97 PolarHBondContact O-N 3.3Å
94	T	72.8	Confident	85.9	Confident	120 Å²	120	76.5 Å²	76.5	74%	0.736	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34	-177.8	-2.9	0	0	0	0	112.8	V96	T94-V96 PolarHBondContact O-N 2.76Å
95	E	74.1	Confident	86	Confident	166 Å²	166	78.3 Å²	78.3	78%	0.776	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-68.8	-17.9	-178.4	-64.3	144.6	-161.5	0	0	114.2	Q93	Q93-E95 PolarHBondContact O-N 3.4Å; Q93-E95 VanDerWaalsContact O-N 3.08Å
96	V	79.8	Confident	86	Confident	30 Å²	30	79.3 Å²	79.3	18%	0.182	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-119.6	11.6	-175.5	-66.6	0	0	0	0	113	W55 R59 V92 Q93 T94 E98 A99 F100	W55-V96 HydrophobicContact CH2-CB 4.31Å; W55-V96 HydrophobicContact CZ2-CB 4.16Å; W55-V96 HydrophobicContact CZ2-CG2 4Å; R59-V96 HydrophobicContact CG-CG1 4.43Å; V92-V96 HydrophobicContact CG1-CG2 4.12Å; Q93-V96 HydrophobicContact CB-CG2 4.33Å; Q93-V96 VanDerWaalsContact O-CG2 3.22Å; Q93-V96 WeakPolarHBondContact O-CG2 3.2Å; Q93-V96 PolarHBondContact O-N 3.23Å; T94-V96 PolarHBondContact O-N 2.76Å; V96-E98 PolarHBondContact O-N 2.73Å; V96-A99 WeakPolarHBondContact O-CB 3.26Å; V96-A99 PolarHBondContact O-N 2.9Å; V96-A99 VanDerWaalsContact O-N 3.15Å; V96-F100 PolarHBondContact O-N 2.85Å
97	E	82.1	Confident	86.2	Confident	108 Å²	108	79.8 Å²	79.8	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-44.9	-178.3	-165.4	165	-164.1	0	0	111.9	Q93 A99 F100 E101	Q93-E97 PolarHBondContact O-N 3.3Å; E97-A99 VanDerWaalsContact C-N 3.29Å; E97-A99 PolarHBondContact O-N 2.89Å; E97-F100 WeakPolarHBondContact O-CA 3.45Å; E97-F100 WeakPolarHBondContact O-CB 3.49Å; E97-F100 PolarHBondContact O-N 2.85Å; E97-E101 PolarHBondContact O-N 3.47Å
98	E	87.1	Confident	86.5	Confident	149 Å²	149	78.1 Å²	78.1	70%	0.696	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-35.4	174.6	-66.8	-173.6	176.2	0	0	113.1	V96 F100 R102	V96-E98 PolarHBondContact O-N 2.73Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 PolarHBondContact O-N 2.78Å; E98-R102 VanDerWaalsContact O-N 3.1Å
99	A	88.6	Confident	86.8	Confident	28 Å²	28	75.2 Å²	75.2	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-36	176.1	0	0	0	0	0	110.5	W55 F58 V96 E97 R102 F103	W55-A99 HydrophobicContact CH2-CB 3.86Å; W55-A99 HydrophobicContact CZ3-CB 4.25Å; F58-A99 WeakPolarHBondContact CE1-O 3.36Å; V96-A99 WeakPolarHBondContact O-CB 3.26Å; V96-A99 PolarHBondContact O-N 2.9Å; V96-A99 VanDerWaalsContact O-N 3.15Å; E97-A99 VanDerWaalsContact C-N 3.29Å; E97-A99 PolarHBondContact O-N 2.89Å; A99-R102 WeakPolarHBondContact O-CB 3.28Å; A99-R102 PolarHBondContact O-N 2.85Å; A99-F103 PolarHBondContact O-N 2.87Å
100	F	91.9	Very high	87.2	Confident	11 Å²	11	72.5 Å²	72.5	5%	0.048	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-42.9	175.8	-170.8	-110	0	0	0	111.9	W55 I86 L87 C90 V92 V96 E97 E98 R102 F103 L104	W55-F100 AromaticContact CD2-CD2 3.62Å; W55-F100 HydrophobicContact CD2-CD2 3.62Å; W55-F100 HydrophobicContact CD2-CE2 4.2Å; W55-F100 AromaticContact CE2-CD2 3.82Å; W55-F100 AromaticContact CE3-CD2 3.71Å; W55-F100 HydrophobicContact CE3-CD2 3.71Å; W55-F100 HydrophobicContact CE3-CE2 4.5Å; W55-F100 HydrophobicContact CG-CD2 4.14Å; W55-F100 HydrophobicContact CG-CE2 4.25Å; W55-F100 HydrophobicContact CH2-CB 3.67Å; W55-F100 HydrophobicContact CH2-CD2 4.15Å; W55-F100 HydrophobicContact CH2-CG 4.44Å; W55-F100 VanDerWaalsContact CH2-N 3.29Å; W55-F100 HydrophobicContact CZ2-CB 4.04Å; W55-F100 HydrophobicContact CZ2-CD2 4.08Å; W55-F100 VanDerWaalsContact CZ3-CA 3.42Å; W55-F100 HydrophobicContact CZ3-CB 3.97Å; W55-F100 AromaticContact CZ3-CD2 3.99Å; W55-F100 HydrophobicContact CZ3-CD2 3.99Å; W55-F100 HydrophobicContact CZ3-CG 4.5Å; I86-F100 HydrophobicContact CD1-CZ 4.38Å; I86-F100 HydrophobicContact CG1-CZ 4.45Å; L87-F100 HydrophobicContact CD1-CD1 4.11Å; L87-F100 HydrophobicContact CD1-CE1 3.55Å; L87-F100 HydrophobicContact CD1-CZ 4.04Å; C90-F100 HydrophobicContact CB-CE2 4.01Å; C90-F100 HydrophobicContact CB-CZ 4.45Å; V92-F100 HydrophobicContact CG1-CB 3.86Å; V92-F100 HydrophobicContact CG1-CG 4.16Å; V92-F100 HydrophobicContact CG2-CB 4.15Å; V92-F100 HydrophobicContact CG2-CD1 3.98Å; V92-F100 HydrophobicContact CG2-CD2 3.56Å; V92-F100 HydrophobicContact CG2-CE1 4.24Å; V92-F100 HydrophobicContact CG2-CE2 3.86Å; V92-F100 HydrophobicContact CG2-CG 3.62Å; V92-F100 HydrophobicContact CG2-CZ 4.18Å; V96-F100 PolarHBondContact O-N 2.85Å; E97-F100 WeakPolarHBondContact O-CA 3.45Å; E97-F100 WeakPolarHBondContact O-CB 3.49Å; E97-F100 PolarHBondContact O-N 2.85Å; E98-F100 VanDerWaalsContact C-N 3.33Å; F100-R102 VanDerWaalsContact C-N 3.26Å; F100-R102 PolarHBondContact O-N 3.29Å; F100-F103 HydrophobicContact CD2-CD1 4.28Å; F100-F103 HydrophobicContact CE2-CD1 4.17Å; F100-F103 WeakPolarHBondContact O-CB 3.5Å; F100-F103 PolarHBondContact O-N 3.23Å; F100-F103 VanDerWaalsContact O-N 3.17Å; F100-L104 HydrophobicContact CD1-CD1 3.9Å; F100-L104 HydrophobicContact CD1-CG 4.26Å; F100-L104 HydrophobicContact CE1-CD1 3.57Å; F100-L104 HydrophobicContact CE1-CD2 4.32Å; F100-L104 HydrophobicContact CE1-CG 4Å; F100-L104 HydrophobicContact CZ-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD2 4.13Å; F100-L104 HydrophobicContact CZ-CG 4.24Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 3.4Å
101	E	91.5	Very high	87.7	Confident	128 Å²	128	77.5 Å²	77.5	60%	0.598	37%	0.367	S	S	*	.	H	α-helix	trans	-59.1	-39.9	172.9	-70.1	-170.8	162.3	0	0	112	E97 L104 K105	E97-E101 PolarHBondContact O-N 3.47Å; E101-L104 PolarHBondContact O-N 2.92Å; E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 PolarHBondContact O-N 3.36Å
102	R	90.5	Very high	88.6	Confident	138 Å²	138	72.5 Å²	72.5	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-42.1	175.5	-168	-177.4	-48.2	177.2	7.2	112.2	F58 E98 A99 F100 K105	F58-R102 HydrophobicContact CZ-CG 4.32Å; E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 PolarHBondContact O-N 2.78Å; E98-R102 VanDerWaalsContact O-N 3.1Å; A99-R102 WeakPolarHBondContact O-CB 3.28Å; A99-R102 PolarHBondContact O-N 2.85Å; F100-R102 VanDerWaalsContact C-N 3.26Å; F100-R102 PolarHBondContact O-N 3.29Å; R102-K105 WeakPolarHBondContact O-CB 3.45Å; R102-K105 PolarHBondContact O-N 2.94Å
103	F	93.5	Very high	89.7	Confident	3 Å²	3	72.4 Å²	72.4	1%	0.013	36%	0.356	C	S	.	.	H	α-helix	trans	-57.2	-51.6	172.8	170.7	-101.5	0	0	0	110.3	L54 W55 F58 I69 A99 F100 K105 W106 N107	L54-F103 HydrophobicContact CB-CE2 4.19Å; L54-F103 HydrophobicContact CB-CZ 4.17Å; W55-F103 HydrophobicContact CB-CE1 4.16Å; W55-F103 HydrophobicContact CB-CZ 4.14Å; W55-F103 HydrophobicContact CE3-CB 3.86Å; W55-F103 HydrophobicContact CE3-CD1 4.21Å; W55-F103 HydrophobicContact CE3-CD2 4.35Å; W55-F103 AromaticContact CE3-CG 3.9Å; W55-F103 HydrophobicContact CE3-CG 3.9Å; W55-F103 HydrophobicContact CZ3-CB 3.97Å; F58-F103 HydrophobicContact CB-CD2 3.82Å; F58-F103 HydrophobicContact CB-CE2 4.26Å; F58-F103 HydrophobicContact CD1-CB 3.82Å; F58-F103 HydrophobicContact CD1-CD2 4.11Å; F58-F103 HydrophobicContact CD1-CG 4.4Å; F58-F103 HydrophobicContact CD2-CD2 4.17Å; F58-F103 HydrophobicContact CE1-CB 3.86Å; F58-F103 HydrophobicContact CG-CB 4.31Å; F58-F103 AromaticContact CG-CD2 3.76Å; F58-F103 HydrophobicContact CG-CD2 3.76Å; F58-F103 HydrophobicContact CG-CG 4.49Å; F58-F103 HydrophobicContact CZ-CB 4.38Å; I69-F103 HydrophobicContact CD1-CD2 4.26Å; I69-F103 HydrophobicContact CD1-CE2 3.28Å; I69-F103 HydrophobicContact CD1-CZ 3.45Å; I69-F103 VanDerWaalsContact CD1-CZ 3.45Å; A99-F103 PolarHBondContact O-N 2.87Å; F100-F103 HydrophobicContact CD2-CD1 4.28Å; F100-F103 HydrophobicContact CE2-CD1 4.17Å; F100-F103 WeakPolarHBondContact O-CB 3.5Å; F100-F103 PolarHBondContact O-N 3.23Å; F100-F103 VanDerWaalsContact O-N 3.17Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 3.19Å; F103-W106 PolarHBondContact O-N 3.34Å; F103-N107 PolarHBondContact O-ND2 2.85Å
104	L	93.8	Very high	90.7	Very high	34 Å²	34	67.8 Å²	67.8	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-34.3	178.3	-67.6	180	0	0	0	113	A83 I86 F100 E101 W106 N107	A83-L104 HydrophobicContact CB-CD1 3.64Å; A83-L104 HydrophobicContact CB-CD2 3.82Å; A83-L104 HydrophobicContact CB-CG 4.39Å; I86-L104 HydrophobicContact CD1-CD2 4.3Å; F100-L104 HydrophobicContact CD1-CD1 3.9Å; F100-L104 HydrophobicContact CD1-CG 4.26Å; F100-L104 HydrophobicContact CE1-CD1 3.57Å; F100-L104 HydrophobicContact CE1-CD2 4.32Å; F100-L104 HydrophobicContact CE1-CG 4Å; F100-L104 HydrophobicContact CZ-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD2 4.13Å; F100-L104 HydrophobicContact CZ-CG 4.24Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 3.4Å; E101-L104 PolarHBondContact O-N 2.92Å; L104-W106 PolarHBondContact O-N 2.87Å; L104-N107 VanDerWaalsContact O-CB 3.31Å; L104-N107 WeakPolarHBondContact O-CB 3.48Å; L104-N107 PolarHBondContact O-N 2.73Å
105	K	93.6	Very high	91.7	Very high	174 Å²	174	66.7 Å²	66.7	76%	0.757	32%	0.323	S	S	*	.	H	α-helix	trans	-61.9	-24.8	176.7	-172.2	175	-178.9	175	0	113.3	E101 R102 F103 N107	E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 PolarHBondContact O-N 3.36Å; R102-K105 WeakPolarHBondContact O-CB 3.45Å; R102-K105 PolarHBondContact O-N 2.94Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 3.19Å; K105-N107 VanDerWaalsContact C-N 3.34Å
106	W	92.5	Very high	92.7	Very high	61 Å²	61	63.9 Å²	63.9	23%	0.231	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.9	176	-64.3	-6.7	0	0	0	113.2	F58 A65 F68 I69 F103 L104	F58-W106 AromaticContact CE2-CE3 3.82Å; F58-W106 HydrophobicContact CE2-CE3 3.82Å; F58-W106 HydrophobicContact CE2-CH2 4.44Å; F58-W106 AromaticContact CE2-CZ3 3.6Å; F58-W106 HydrophobicContact CE2-CZ3 3.6Å; F58-W106 HydrophobicContact CZ-CZ3 4.34Å; A65-W106 WeakPolarHBondContact O-CH2 3.3Å; A65-W106 WeakPolarHBondContact O-CZ3 3.28Å; F68-W106 HydrophobicContact CD1-CB 4.11Å; F68-W106 HydrophobicContact CD1-CG 4.31Å; F68-W106 HydrophobicContact CE1-CG 4.23Å; I69-W106 PolarHBondContact N-O 3.03Å; F103-W106 PolarHBondContact O-N 3.34Å; L104-W106 PolarHBondContact O-N 2.87Å
107	N	96.5	Very high	93.4	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.053	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.3	171.5	-75	-110.4	0	0	0	110.2	Y51 I69 V79 F103 L104 K105	Y51-N107 WeakPolarHBondContact CE1-OD1 3.39Å; I69-N107 WeakPolarHBondContact CB-OD1 3.32Å; I69-N107 WeakPolarHBondContact CG2-OD1 3.15Å; I69-N107 CarbonylContact O-C 3.6Å; I69-N107 VanDerWaalsContact O-CA 3.3Å; I69-N107 WeakPolarHBondContact O-CA 3.36Å; V79-N107 HydrophobicContact CG1-CB 3.92Å; F103-N107 PolarHBondContact O-ND2 2.85Å; L104-N107 VanDerWaalsContact O-CB 3.31Å; L104-N107 WeakPolarHBondContact O-CB 3.48Å; L104-N107 PolarHBondContact O-N 2.73Å; K105-N107 VanDerWaalsContact C-N 3.34Å
108	T	96.8	Very high	94.1	Very high	48 Å²	48	65.4 Å²	65.4	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.7	166.3	55.3	0	0	0	0	108.7	I69 I70 G71	I69-T108 PolarHBondContact O-N 2.93Å; I69-T108 PolarHBondContact O-OG1 2.85Å; I70-T108 WeakPolarHBondContact CA-O 3.34Å; G71-T108 PolarHBondContact N-O 2.95Å
109	Y	97.3	Very high	94.4	Very high	31 Å²	31	58.5 Å²	58.5	12%	0.122	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.6	179	-173.5	-85.8	0	0	0	110.1	A41 G71 A73 S75 L77 L82	A41-Y109 HydrophobicContact CB-CD2 4.46Å; A41-Y109 HydrophobicContact CB-CE2 4.03Å; G71-Y109 CarbonylContact O-C 3.58Å; G71-Y109 WeakPolarHBondContact O-CA 3.38Å; A73-Y109 WeakPolarHBondContact CB-OH 3.48Å; S75-Y109 VanDerWaalsContact O-CE1 3.26Å; S75-Y109 WeakPolarHBondContact O-CE1 3.39Å; S75-Y109 PolarHBondContact O-OH 2.81Å; L77-Y109 HydrophobicContact CB-CD1 4.29Å; L77-Y109 HydrophobicContact CB-CE1 3.87Å; L77-Y109 HydrophobicContact CB-CE2 4.18Å; L77-Y109 HydrophobicContact CD1-CE2 4.3Å; L77-Y109 WeakPolarHBondContact O-CD1 3.42Å; L82-Y109 HydrophobicContact CD2-CD2 4.08Å
110	V	96.6	Very high	94.9	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.9	179.5	177.9	0	0	0	0	108.6	I70 G71 Y72 A73 K122 I123	I70-V110 HydrophobicContact CG2-CG2 4Å; G71-V110 PolarHBondContact O-N 3.05Å; Y72-V110 WeakPolarHBondContact CA-O 3.46Å; Y72-V110 HydrophobicContact CD2-CB 3.93Å; Y72-V110 HydrophobicContact CD2-CG1 3.82Å; Y72-V110 WeakPolarHBondContact CD2-O 3.45Å; Y72-V110 HydrophobicContact CE2-CG1 3.98Å; A73-V110 PolarHBondContact N-O 3.48Å; V110-K122 HydrophobicContact CG1-CB 3.8Å; V110-K122 HydrophobicContact CG1-CD 4.44Å; V110-I123 HydrophobicContact CB-CG1 4.5Å; V110-I123 HydrophobicContact CG1-CG1 4.41Å
111	Q	96.6	Very high	95	Very high	107 Å²	107	59.1 Å²	59.1	50%	0.5	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.7	171.3	-171.7	-172.1	4	0	0	110.2	A73 R74	A73-Q111 WeakPolarHBondContact O-CA 3.38Å; R74-Q111 WeakPolarHBondContact O-CG 3.33Å; R74-Q111 PolarHBondContact O-NE2 3.3Å
112	G	96.1	Very high	95.3	Very high	14 Å²	14	56.9 Å²	56.9	14%	0.144	28%	0.28	C	S	.	.			trans	-175.7	163.7	173.1	0	0	0	0	0	114.4	Y72 A73 R74	Y72-G112 WeakPolarHBondContact OH-CA 3.47Å; A73-G112 CarbonylContact C-O 3.57Å; A73-G112 PolarHBondContact O-N 3.19Å; R74-G112 WeakPolarHBondContact CA-O 3.44Å; R74-G112 PolarHBondContact N-O 3.2Å
113	A	96.3	Very high	95.6	Very high	34 Å²	34	50.3 Å²	50.3	28%	0.281	26%	0.256	S	S	.	.			trans	-87.2	142.2	173.3	0	0	0	0	0	111.2	Y72 D115 Q116	Y72-A113 PolarHBondContact OH-N 3.08Å; Y72-A113 PolarHBondContact OH-O 2.84Å; A113-D115 WeakPolarHBondContact CB-OD1 3.5Å; A113-D115 PolarHBondContact O-N 2.79Å; A113-D115 VanDerWaalsContact O-N 3.15Å; A113-Q116 HydrophobicContact CB-CB 4.22Å; A113-Q116 HydrophobicContact CB-CG 3.83Å; A113-Q116 PolarHBondContact O-N 2.93Å
114	Y	96.3	Very high	95.7	Very high	23 Å²	23	53.8 Å²	53.8	9%	0.09	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13	-172.7	-63.1	-50.4	0	0	0	115	F39 G40 Y72 R74 V146 V150 I154	F39-Y114 HydrophobicContact CD1-CD1 4.28Å; F39-Y114 HydrophobicContact CD1-CE1 4.34Å; G40-Y114 WeakPolarHBondContact CA-OH 3.39Å; G40-Y114 PolarHBondContact N-OH 3.32Å; Y72-Y114 HydrophobicContact CD1-CD1 4.04Å; Y72-Y114 AromaticContact CD1-CE1 3.76Å; Y72-Y114 HydrophobicContact CD1-CE1 3.76Å; Y72-Y114 AromaticContact CE1-CD1 3.62Å; Y72-Y114 HydrophobicContact CE1-CD1 3.62Å; Y72-Y114 AromaticContact CE1-CE1 3.76Å; Y72-Y114 HydrophobicContact CE1-CE1 3.76Å; R74-Y114 HydrophobicContact CG-CE2 4.4Å; Y114-V146 HydrophobicContact CE1-CG1 4.09Å; Y114-V146 HydrophobicContact CE2-CG1 4.25Å; Y114-V150 HydrophobicContact CD2-CB 4.29Å; Y114-V150 HydrophobicContact CD2-CG1 4.15Å; Y114-V150 HydrophobicContact CD2-CG2 4.14Å; Y114-V150 HydrophobicContact CG-CB 4.5Å; Y114-I154 HydrophobicContact CD1-CD1 3.63Å; Y114-I154 HydrophobicContact CD1-CG1 3.97Å; Y114-I154 HydrophobicContact CE1-CD1 4.3Å; Y114-I154 HydrophobicContact CG-CD1 3.83Å; Y114-I154 HydrophobicContact CG-CG1 4.1Å
115	D	94.4	Very high	95.8	Very high	97 Å²	97	57.4 Å²	57.4	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-1.6	-176.9	63.4	-28.4	0	0	0	113.4	A113 P153	A113-D115 WeakPolarHBondContact CB-OD1 3.5Å; A113-D115 PolarHBondContact O-N 2.79Å; A113-D115 VanDerWaalsContact O-N 3.15Å; D115-P153 HydrophobicContact CB-CB 4.15Å
116	Q	94.3	Very high	95.8	Very high	107 Å²	107	52.5 Å²	52.5	50%	0.5	27%	0.266	S	S	.	.			trans	-109.8	126	-176.2	-60.2	-58.6	-36.4	0	0	111.9	A113 E118 G119 F120	A113-Q116 HydrophobicContact CB-CB 4.22Å; A113-Q116 HydrophobicContact CB-CG 3.83Å; A113-Q116 PolarHBondContact O-N 2.93Å; Q116-E118 PolarHBondContact O-N 3.31Å; Q116-E118 VanDerWaalsContact O-N 3.15Å; Q116-G119 PolarHBondContact O-N 3.14Å; Q116-F120 VanDerWaalsContact O-CD2 3.27Å; Q116-F120 WeakPolarHBondContact O-CD2 3.21Å
117	A	95.1	Very high	96	Very high	39 Å²	39	49.6 Å²	49.6	32%	0.322	26%	0.255	S	S	.	.	H	α-helix	trans	-57.7	-30.7	-177.5	0	0	0	0	0	114.1	G119 F120 T121	A117-G119 VanDerWaalsContact C-N 3.31Å; A117-G119 PolarHBondContact O-N 2.71Å; A117-F120 PolarHBondContact O-N 3.25Å; A117-T121 PolarHBondContact O-N 3.4Å; A117-T121 PolarHBondContact O-OG1 2.99Å
118	E	96	Very high	95.8	Very high	130 Å²	130	53.4 Å²	53.4	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-53.6	-44.8	-177.4	-168.9	-162.9	145.7	0	0	112.7	Q116 F120 T121 K122	Q116-E118 PolarHBondContact O-N 3.31Å; Q116-E118 VanDerWaalsContact O-N 3.15Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 3.11Å; E118-T121 PolarHBondContact O-N 2.89Å; E118-K122 PolarHBondContact O-N 3.37Å; E118-K122 VanDerWaalsContact O-N 3.11Å; E118-K122 WeakPolarHBondContact OE1-CE 3.44Å; E118-K122 IonicContact OE1-NZ 2.68Å; E118-K122 PolarHBondContact OE1-NZ 2.87Å
119	G	95.2	Very high	95.7	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-33.4	179.7	0	0	0	0	0	112.7	Q116 A117 K122 I123	Q116-G119 PolarHBondContact O-N 3.14Å; A117-G119 VanDerWaalsContact C-N 3.31Å; A117-G119 PolarHBondContact O-N 2.71Å; G119-K122 PolarHBondContact O-N 3.24Å; G119-I123 WeakPolarHBondContact O-CG1 3.32Å; G119-I123 PolarHBondContact O-N 2.8Å; G119-I123 VanDerWaalsContact O-N 3.1Å
120	F	97.3	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-76.4	-33.3	178.3	-63.5	-98.7	0	0	0	111.7	F39 Q116 A117 E118 K122 I123 K124 I154 N157 I158 H161 C162	F39-F120 HydrophobicContact CE1-CD1 4.21Å; F39-F120 AromaticContact CE1-CE1 3.46Å; F39-F120 HydrophobicContact CE1-CE1 3.46Å; F39-F120 VanDerWaalsContact CE1-CE1 3.46Å; F39-F120 AromaticContact CE1-CZ 3.93Å; F39-F120 HydrophobicContact CE1-CZ 3.93Å; F39-F120 HydrophobicContact CZ-CD1 4.18Å; F39-F120 AromaticContact CZ-CE1 3.67Å; F39-F120 HydrophobicContact CZ-CE1 3.67Å; Q116-F120 VanDerWaalsContact O-CD2 3.27Å; Q116-F120 WeakPolarHBondContact O-CD2 3.21Å; A117-F120 PolarHBondContact O-N 3.25Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 3.11Å; F120-K122 VanDerWaalsContact C-N 3.33Å; F120-I123 HydrophobicContact CD1-CD1 4.44Å; F120-I123 PolarHBondContact O-N 3.21Å; F120-K124 WeakPolarHBondContact O-CB 3.21Å; F120-K124 PolarHBondContact O-N 2.69Å; F120-I154 HydrophobicContact CE1-CG2 4.36Å; F120-I154 HydrophobicContact CZ-CG1 4.35Å; F120-N157 HydrophobicContact CB-CB 4.38Å; F120-N157 HydrophobicContact CD1-CB 3.51Å; F120-N157 HydrophobicContact CD2-CB 3.5Å; F120-N157 VanDerWaalsContact CD2-CB 3.5Å; F120-N157 HydrophobicContact CE1-CB 3.46Å; F120-N157 VanDerWaalsContact CE1-CB 3.46Å; F120-N157 HydrophobicContact CE2-CB 3.48Å; F120-N157 VanDerWaalsContact CE2-CB 3.48Å; F120-N157 HydrophobicContact CG-CB 3.53Å; F120-N157 HydrophobicContact CZ-CB 3.46Å; F120-N157 VanDerWaalsContact CZ-CB 3.46Å; F120-I158 HydrophobicContact CD1-CG1 4.35Å; F120-I158 HydrophobicContact CE1-CG1 4.09Å; F120-H161 HydrophobicContact CB-CB 3.91Å; F120-C162 PolarHBondContact O-SG 2.85Å; F120-C162 VanDerWaalsContact O-SG 3.37Å
121	T	96	Very high	95.3	Very high	53 Å²	53	53.4 Å²	53.4	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-43.3	168.9	-57.4	0	0	0	0	111.1	A117 E118 I123 K124 E125	A117-T121 PolarHBondContact O-N 3.4Å; A117-T121 PolarHBondContact O-OG1 2.99Å; E118-T121 PolarHBondContact O-N 2.89Å; T121-I123 PolarHBondContact O-N 3.22Å; T121-K124 WeakPolarHBondContact O-CB 3.17Å; T121-K124 PolarHBondContact O-N 2.88Å; T121-K124 VanDerWaalsContact O-N 3.17Å; T121-E125 WeakPolarHBondContact O-CG 3.35Å; T121-E125 PolarHBondContact O-N 3.08Å
122	K	96.3	Very high	95.1	Very high	80 Å²	80	55 Å²	55	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.7	-72.4	169.5	172.8	165.4	0	112.6	V110 E118 G119 F120 E125 H126	V110-K122 HydrophobicContact CG1-CB 3.8Å; V110-K122 HydrophobicContact CG1-CD 4.44Å; E118-K122 PolarHBondContact O-N 3.37Å; E118-K122 VanDerWaalsContact O-N 3.11Å; E118-K122 WeakPolarHBondContact OE1-CE 3.44Å; E118-K122 IonicContact OE1-NZ 2.68Å; E118-K122 PolarHBondContact OE1-NZ 2.87Å; G119-K122 PolarHBondContact O-N 3.24Å; F120-K122 VanDerWaalsContact C-N 3.33Å; K122-E125 PolarHBondContact O-N 3.04Å; K122-H126 PolarHBondContact O-N 2.99Å; K122-H126 PolarHBondContact O-ND1 3.42Å
123	I	96.9	Very high	94.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-47.1	173	-68.9	162.4	0	0	0	110.3	V37 F39 Y72 V110 G119 F120 T121 E125 H126 I127	V37-I123 HydrophobicContact CG1-CD1 4.34Å; V37-I123 HydrophobicContact CG1-CG2 4.39Å; V37-I123 HydrophobicContact CG2-CG2 4.25Å; F39-I123 HydrophobicContact CE1-CD1 3.97Å; F39-I123 HydrophobicContact CZ-CD1 3.94Å; Y72-I123 HydrophobicContact CD2-CD1 3.31Å; Y72-I123 HydrophobicContact CD2-CG1 3.77Å; Y72-I123 HydrophobicContact CE2-CD1 3.67Å; Y72-I123 HydrophobicContact CE2-CG1 4.22Å; Y72-I123 HydrophobicContact CG-CD1 3.84Å; V110-I123 HydrophobicContact CB-CG1 4.5Å; V110-I123 HydrophobicContact CG1-CG1 4.41Å; G119-I123 WeakPolarHBondContact O-CG1 3.32Å; G119-I123 PolarHBondContact O-N 2.8Å; G119-I123 VanDerWaalsContact O-N 3.1Å; F120-I123 HydrophobicContact CD1-CD1 4.44Å; F120-I123 PolarHBondContact O-N 3.21Å; T121-I123 PolarHBondContact O-N 3.22Å; I123-E125 VanDerWaalsContact C-N 3.34Å; I123-E125 PolarHBondContact O-N 3.23Å; I123-H126 WeakPolarHBondContact O-CB 3.3Å; I123-H126 PolarHBondContact O-N 2.78Å; I123-I127 HydrophobicContact CG2-CD1 3.7Å; I123-I127 HydrophobicContact CG2-CG1 4.33Å; I123-I127 WeakPolarHBondContact O-CG1 3.21Å; I123-I127 PolarHBondContact O-N 3.3Å
124	K	95.8	Very high	94.6	Very high	77 Å²	77	64.3 Å²	64.3	34%	0.335	32%	0.319	S	S	.	.	H	α-helix	trans	-56.3	-48	178.6	-178.9	-163.7	174.7	179.2	0	111.3	F120 T121 H126 I127 E128 H161	F120-K124 WeakPolarHBondContact O-CB 3.21Å; F120-K124 PolarHBondContact O-N 2.69Å; T121-K124 WeakPolarHBondContact O-CB 3.17Å; T121-K124 PolarHBondContact O-N 2.88Å; T121-K124 VanDerWaalsContact O-N 3.17Å; K124-H126 VanDerWaalsContact C-N 3.31Å; K124-H126 PolarHBondContact O-N 2.51Å; K124-I127 PolarHBondContact O-N 3.05Å; K124-I127 VanDerWaalsContact O-N 3.16Å; K124-E128 VanDerWaalsContact CE-CD 3.47Å; K124-E128 WeakPolarHBondContact CE-OE1 3.42Å; K124-E128 HydrophobicContact CG-CG 4.38Å; K124-E128 IonicContact NZ-OE1 3.75Å; K124-E128 WeakPolarHBondContact O-CG 3.38Å; K124-E128 PolarHBondContact O-N 2.97Å; K124-H161 VanDerWaalsContact CD-O 3.24Å; K124-H161 WeakPolarHBondContact CD-O 3.43Å; K124-H161 WeakPolarHBondContact CG-O 3.32Å
125	E	95.4	Very high	94.3	Very high	109 Å²	109	72.7 Å²	72.7	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-42.4	177.8	-71.9	167.7	178.9	0	0	112	T121 K122 I123 E128 A129	T121-E125 WeakPolarHBondContact O-CG 3.35Å; T121-E125 PolarHBondContact O-N 3.08Å; K122-E125 PolarHBondContact O-N 3.04Å; I123-E125 VanDerWaalsContact C-N 3.34Å; I123-E125 PolarHBondContact O-N 3.23Å; E125-E128 PolarHBondContact O-N 3.39Å; E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.45Å
126	H	94.6	Very high	94	Very high	71 Å²	71	72.6 Å²	72.6	33%	0.329	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-44.4	175.8	-77.8	67.9	0	0	0	112	I70 K122 I123 K124 A129 I130	I70-H126 HydrophobicContact CD1-CB 3.84Å; K122-H126 PolarHBondContact O-N 2.99Å; K122-H126 PolarHBondContact O-ND1 3.42Å; I123-H126 WeakPolarHBondContact O-CB 3.3Å; I123-H126 PolarHBondContact O-N 2.78Å; K124-H126 VanDerWaalsContact C-N 3.31Å; K124-H126 PolarHBondContact O-N 2.51Å; H126-A129 PolarHBondContact O-N 3.18Å; H126-I130 WeakPolarHBondContact O-CG1 3.06Å; H126-I130 PolarHBondContact O-N 2.81Å; H126-I130 VanDerWaalsContact O-N 3.16Å
127	I	95.5	Very high	93.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-43.1	177.7	-65.6	168.9	0	0	0	110.7	V35 V37 I70 I123 K124 I130 G131 P138 F142	V35-I127 HydrophobicContact CB-CG1 4.44Å; V35-I127 HydrophobicContact CG1-CG1 4Å; V35-I127 HydrophobicContact CG2-CG1 4.45Å; V35-I127 HydrophobicContact CG2-CG2 4.48Å; V37-I127 HydrophobicContact CG2-CD1 4.4Å; I70-I127 HydrophobicContact CD1-CG1 3.95Å; I123-I127 HydrophobicContact CG2-CD1 3.7Å; I123-I127 HydrophobicContact CG2-CG1 4.33Å; I123-I127 WeakPolarHBondContact O-CG1 3.21Å; I123-I127 PolarHBondContact O-N 3.3Å; K124-I127 PolarHBondContact O-N 3.05Å; K124-I127 VanDerWaalsContact O-N 3.16Å; I127-I130 PolarHBondContact O-N 3.31Å; I127-G131 PolarHBondContact O-N 3.06Å; I127-P138 HydrophobicContact CG2-CB 4.5Å; I127-P138 HydrophobicContact CG2-CG 4.16Å; I127-F142 HydrophobicContact CD1-CE1 4.44Å
128	E	93.6	Very high	93.7	Very high	90 Å²	90	66.9 Å²	66.9	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-38	179.6	-73.1	-179.6	162.4	0	0	112	K124 E125 I130 G131 L132	K124-E128 VanDerWaalsContact CE-CD 3.47Å; K124-E128 WeakPolarHBondContact CE-OE1 3.42Å; K124-E128 HydrophobicContact CG-CG 4.38Å; K124-E128 IonicContact NZ-OE1 3.75Å; K124-E128 WeakPolarHBondContact O-CG 3.38Å; K124-E128 PolarHBondContact O-N 2.97Å; E125-E128 PolarHBondContact O-N 3.39Å; E128-I130 VanDerWaalsContact C-N 3.32Å; E128-I130 PolarHBondContact O-N 2.81Å; E128-G131 PolarHBondContact O-N 3.36Å; E128-G131 VanDerWaalsContact O-N 3.15Å; E128-L132 WeakPolarHBondContact O-CG 3.32Å; E128-L132 PolarHBondContact O-N 3.29Å
129	A	94.7	Very high	93.7	Very high	58 Å²	58	61.2 Å²	61.2	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-40.5	173.3	0	0	0	0	0	112.2	E125 H126 R133	E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.45Å; H126-A129 PolarHBondContact O-N 3.18Å; A129-R133 PolarHBondContact O-N 3.5Å
130	I	93.3	Very high	93.8	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-47	172.6	-65.8	161.9	0	0	0	109.9	P33 V35 F68 H126 I127 E128 L132 R133 F134 P138	P33-I130 HydrophobicContact CB-CG2 4.04Å; V35-I130 HydrophobicContact CG2-CD1 3.81Å; V35-I130 HydrophobicContact CG2-CG2 4.38Å; F68-I130 HydrophobicContact CB-CD1 3.65Å; F68-I130 HydrophobicContact CD1-CD1 4.16Å; F68-I130 HydrophobicContact CD1-CG1 4.35Å; F68-I130 HydrophobicContact CD2-CD1 4.13Å; F68-I130 HydrophobicContact CD2-CG1 4.35Å; F68-I130 HydrophobicContact CD2-CG2 3.54Å; F68-I130 HydrophobicContact CE2-CG2 3.61Å; F68-I130 HydrophobicContact CG-CD1 3.7Å; F68-I130 HydrophobicContact CG-CG1 4.17Å; F68-I130 HydrophobicContact CG-CG2 4.2Å; F68-I130 HydrophobicContact CZ-CG2 4.32Å; H126-I130 WeakPolarHBondContact O-CG1 3.06Å; H126-I130 PolarHBondContact O-N 2.81Å; H126-I130 VanDerWaalsContact O-N 3.16Å; I127-I130 PolarHBondContact O-N 3.31Å; E128-I130 VanDerWaalsContact C-N 3.32Å; E128-I130 PolarHBondContact O-N 2.81Å; I130-L132 VanDerWaalsContact C-N 3.3Å; I130-L132 PolarHBondContact O-N 3.07Å; I130-R133 WeakPolarHBondContact O-CB 3.15Å; I130-R133 PolarHBondContact O-N 3.44Å; I130-R133 VanDerWaalsContact O-N 3.11Å; I130-F134 HydrophobicContact CG2-CD2 4.27Å; I130-F134 HydrophobicContact CG2-CE2 4.48Å; I130-F134 WeakPolarHBondContact O-CD2 3.27Å; I130-F134 PolarHBondContact O-N 3.13Å; I130-P138 HydrophobicContact CB-CG 4.42Å; I130-P138 HydrophobicContact CG2-CG 4.08Å
131	G	91.5	Very high	93.8	Very high	8 Å²	8	61.7 Å²	61.7	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-39.5	179.3	0	0	0	0	0	113.5	I127 E128 F134 K135 R136	I127-G131 PolarHBondContact O-N 3.06Å; E128-G131 PolarHBondContact O-N 3.36Å; E128-G131 VanDerWaalsContact O-N 3.15Å; G131-F134 CarbonylContact O-C 3.52Å; G131-F134 PolarHBondContact O-N 2.91Å; G131-K135 WeakPolarHBondContact O-CA 3.26Å; G131-K135 PolarHBondContact O-N 2.89Å; G131-R136 CarbonylContact C-O 3.53Å; G131-R136 WeakPolarHBondContact CA-O 3.44Å; G131-R136 PolarHBondContact O-N 2.97Å
132	L	92.3	Very high	93.9	Very high	140 Å²	140	59.1 Å²	59.1	73%	0.733	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-41.2	174.9	-74.7	167.2	0	0	0	112.1	E128 I130 F134 K135	E128-L132 WeakPolarHBondContact O-CG 3.32Å; E128-L132 PolarHBondContact O-N 3.29Å; I130-L132 VanDerWaalsContact C-N 3.3Å; I130-L132 PolarHBondContact O-N 3.07Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.48Å; L132-K135 PolarHBondContact O-N 2.95Å
133	R	91.5	Very high	94	Very high	173 Å²	173	55.3 Å²	55.3	65%	0.653	26%	0.261	S	S	*	.	H	α-helix	trans	-60.3	-37.6	178	179.9	179.1	173.9	-170.6	-3.3	112.5	A129 I130	A129-R133 PolarHBondContact O-N 3.5Å; I130-R133 WeakPolarHBondContact O-CB 3.15Å; I130-R133 PolarHBondContact O-N 3.44Å; I130-R133 VanDerWaalsContact O-N 3.11Å
134	F	90.1	Very high	94.1	Very high	70 Å²	70	55.3 Å²	55.3	31%	0.307	26%	0.261	S	S	.	.	H	α-helix	trans	-99.8	0.1	-179.5	-71.4	-94	0	0	0	113.5	P33 A66 F68 I130 G131 L132 R136	P33-F134 HydrophobicContact CB-CB 4.35Å; P33-F134 HydrophobicContact CB-CD2 4.04Å; P33-F134 HydrophobicContact CB-CG 4.08Å; P33-F134 HydrophobicContact CG-CB 3.79Å; P33-F134 HydrophobicContact CG-CD2 4.36Å; P33-F134 HydrophobicContact CG-CG 4.07Å; A66-F134 HydrophobicContact CB-CD1 4.33Å; A66-F134 HydrophobicContact CB-CE1 3.6Å; A66-F134 HydrophobicContact CB-CZ 3.71Å; F68-F134 HydrophobicContact CE2-CD2 4.43Å; F68-F134 AromaticContact CE2-CE2 3.56Å; F68-F134 HydrophobicContact CE2-CE2 3.56Å; F68-F134 HydrophobicContact CE2-CZ 4Å; F68-F134 AromaticContact CZ-CE2 3.56Å; F68-F134 HydrophobicContact CZ-CE2 3.56Å; F68-F134 AromaticContact CZ-CZ 3.96Å; F68-F134 HydrophobicContact CZ-CZ 3.96Å; I130-F134 HydrophobicContact CG2-CD2 4.27Å; I130-F134 HydrophobicContact CG2-CE2 4.48Å; I130-F134 WeakPolarHBondContact O-CD2 3.27Å; I130-F134 PolarHBondContact O-N 3.13Å; G131-F134 CarbonylContact O-C 3.52Å; G131-F134 PolarHBondContact O-N 2.91Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.48Å; F134-R136 PolarHBondContact O-N 2.73Å; F134-R136 VanDerWaalsContact O-N 3.16Å
135	K	90	Very high	94.1	Very high	199 Å²	199	52.2 Å²	52.2	87%	0.865	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	31.3	-175.1	-56.3	179	-179.2	177.3	0	113.7	G131 L132	G131-K135 WeakPolarHBondContact O-CA 3.26Å; G131-K135 PolarHBondContact O-N 2.89Å; L132-K135 PolarHBondContact O-N 2.95Å
136	R	87.9	Confident	94.1	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	23%	0.229	S	C	.	.	S	Bend	trans	-146.2	145.4	-178.5	-163.7	161.5	-177.3	177.1	-6.5	110.1	D29 V32 G131 F134 P138	D29-R136 IonicContact OD2-CZ 3.85Å; D29-R136 IonicContact OD2-NH1 2.81Å; D29-R136 PolarHBondContact OD2-NH1 2.9Å; D29-R136 IonicContact OD2-NH2 2.83Å; D29-R136 PolarHBondContact OD2-NH2 2.92Å; V32-R136 VanDerWaalsContact CG2-NH1 3.35Å; G131-R136 CarbonylContact C-O 3.53Å; G131-R136 WeakPolarHBondContact CA-O 3.44Å; G131-R136 PolarHBondContact O-N 2.97Å; F134-R136 PolarHBondContact O-N 2.73Å; F134-R136 VanDerWaalsContact O-N 3.16Å; R136-P138 WeakPolarHBondContact O-CD 3.25Å
137	C	90.3	Very high	93.9	Very high	24 Å²	24	48.7 Å²	48.7	16%	0.162	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-66.7	127	173.3	-168.9	0	0	0	0	108.7	R140 C164 N166 A169	C137-R140 PolarHBondContact SG-NH2 3.15Å; C137-C164 WeakPolarHBondContact CB-SG 3.32Å; C137-C164 WeakPolarHBondContact SG-CB 3.36Å; C137-C164 CovalentContact SG-SG 2.06Å; C137-C164 PolarHBondContact SG-SG 2.77Å; C137-N166 HydrophobicContact CB-CB 4.37Å; C137-A169 HydrophobicContact CB-CB 3.75Å
138	P	94	Very high	93.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.013	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.9	143.6	177.4	-18.6	32.1	0	0	0	112.2	P33 V35 I127 I130 R136 R140	P33-P138 HydrophobicContact CB-CB 4.12Å; P33-P138 HydrophobicContact CB-CG 4.29Å; P33-P138 HydrophobicContact CG-CB 3.97Å; P33-P138 HydrophobicContact CG-CG 3.93Å; P33-P138 CarbonylContact O-C 3.57Å; P33-P138 WeakPolarHBondContact O-CA 3.5Å; P33-P138 WeakPolarHBondContact O-CB 3.28Å; V35-P138 HydrophobicContact CG2-CB 3.74Å; V35-P138 HydrophobicContact CG2-CG 4.25Å; I127-P138 HydrophobicContact CG2-CB 4.5Å; I127-P138 HydrophobicContact CG2-CG 4.16Å; I130-P138 HydrophobicContact CB-CG 4.42Å; I130-P138 HydrophobicContact CG2-CG 4.08Å; R136-P138 WeakPolarHBondContact O-CD 3.25Å; P138-R140 VanDerWaalsContact O-CG 3.28Å; P138-R140 WeakPolarHBondContact O-CG 3.34Å; P138-R140 PolarHBondContact O-NE 2.84Å
139	N	95.2	Very high	93.6	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	141.7	163	-71.9	-27.1	0	0	0	109.3	V32 P33 H34 V35 A169 W170	V32-N139 WeakPolarHBondContact CG1-ND2 3.39Å; P33-N139 PolarHBondContact O-N 2.99Å; H34-N139 CarbonylContact C-O 3.51Å; H34-N139 WeakPolarHBondContact CA-O 3.44Å; H34-N139 PolarHBondContact CE1-ND2 3.31Å; H34-N139 PolarHBondContact NE2-ND2 2.95Å; V35-N139 PolarHBondContact N-O 3.22Å; N139-A169 WeakPolarHBondContact OD1-CA 3.5Å; N139-W170 HydrophobicContact CB-CD2 3.83Å; N139-W170 HydrophobicContact CB-CE3 4.06Å; N139-W170 HydrophobicContact CB-CH2 3.84Å; N139-W170 HydrophobicContact CB-CZ2 3.56Å; N139-W170 HydrophobicContact CB-CZ3 4.07Å; N139-W170 VanDerWaalsContact CG-NE1 3.28Å; N139-W170 PolarHBondContact ND2-NE1 2.81Å; N139-W170 VanDerWaalsContact ND2-NE1 3.15Å; N139-W170 PolarHBondContact OD1-N 3.15Å; N139-W170 VanDerWaalsContact OD1-N 3.09Å; N139-W170 PolarHBondContact OD1-NE1 3.21Å
140	R	96.9	Very high	93.6	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.3	-168.6	-47.9	178.9	-172.1	-173.4	-1.8	110.7	V35 C137 P138 F142 C162 M163 C164 W170 S171 R172	V35-R140 WeakPolarHBondContact O-CA 3.49Å; C137-R140 PolarHBondContact SG-NH2 3.15Å; P138-R140 VanDerWaalsContact O-CG 3.28Å; P138-R140 WeakPolarHBondContact O-CG 3.34Å; P138-R140 PolarHBondContact O-NE 2.84Å; R140-F142 HydrophobicContact CB-CE2 3.71Å; R140-F142 HydrophobicContact CB-CZ 3.8Å; R140-F142 HydrophobicContact CG-CZ 4.5Å; R140-C162 VanDerWaalsContact CD-O 3.29Å; R140-C162 WeakPolarHBondContact CD-O 3.49Å; R140-C162 VanDerWaalsContact NH1-C 3.29Å; R140-C162 PolarHBondContact NH1-O 2.88Å; R140-M163 PolarHBondContact NH1-O 2.84Å; R140-M163 VanDerWaalsContact NH1-O 3.14Å; R140-C164 VanDerWaalsContact NH1-N 3.18Å; R140-W170 PolarHBondContact N-O 2.83Å; R140-W170 WeakPolarHBondContact O-CZ3 3.23Å; R140-S171 CarbonylContact O-C 3.56Å; R140-S171 VanDerWaalsContact O-CA 3.31Å; R140-S171 WeakPolarHBondContact O-CA 3.35Å; R140-R172 PolarHBondContact O-N 3.46Å
141	I	97.9	Very high	93.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	169.7	-59.6	171.5	0	0	0	107.8	V35 F36 V37 W170 R172 I174 V452 F453	V35-I141 PolarHBondContact O-N 2.86Å; F36-I141 CarbonylContact C-O 3.52Å; F36-I141 WeakPolarHBondContact CA-O 3.27Å; F36-I141 HydrophobicContact CD2-CB 3.73Å; F36-I141 HydrophobicContact CD2-CD1 3.86Å; F36-I141 HydrophobicContact CD2-CG1 4.38Å; F36-I141 HydrophobicContact CD2-CG2 3.7Å; F36-I141 HydrophobicContact CE2-CB 4.11Å; F36-I141 HydrophobicContact CE2-CD1 4.17Å; F36-I141 HydrophobicContact CE2-CG2 3.53Å; F36-I141 HydrophobicContact CG-CB 4.31Å; F36-I141 HydrophobicContact CG-CG2 4.42Å; F36-I141 HydrophobicContact CZ-CG2 4.12Å; V37-I141 PolarHBondContact N-O 3.46Å; I141-W170 HydrophobicContact CD1-CH2 3.92Å; I141-W170 HydrophobicContact CD1-CZ3 4.23Å; I141-W170 HydrophobicContact CG1-CH2 3.71Å; I141-W170 HydrophobicContact CG1-CZ3 3.52Å; I141-R172 CarbonylContact C-O 3.53Å; I141-R172 WeakPolarHBondContact CA-O 3.37Å; I141-I174 HydrophobicContact CG2-CD1 3.43Å; I141-I174 VanDerWaalsContact CG2-CD1 3.43Å; I141-I174 HydrophobicContact CG2-CG1 4.03Å; I141-V452 HydrophobicContact CD1-CG1 3.97Å; I141-V452 HydrophobicContact CG1-CG1 4.13Å; I141-V452 HydrophobicContact CG2-CG1 4Å; I141-F453 HydrophobicContact CD1-CD1 3.81Å; I141-F453 HydrophobicContact CD1-CD2 3.81Å; I141-F453 HydrophobicContact CD1-CE1 3.79Å; I141-F453 HydrophobicContact CD1-CE2 3.76Å; I141-F453 HydrophobicContact CD1-CG 3.82Å; I141-F453 HydrophobicContact CD1-CZ 3.76Å
142	F	98.5	Very high	94	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.5	175.8	-56.8	-79.2	0	0	0	109.5	V37 F39 I127 R140 L144 I158 C162 M163 R172 V173 I174	V37-F142 HydrophobicContact CB-CD1 3.78Å; V37-F142 HydrophobicContact CB-CE1 4.28Å; V37-F142 HydrophobicContact CG1-CD1 4.34Å; V37-F142 HydrophobicContact CG2-CD1 3.85Å; V37-F142 HydrophobicContact CG2-CE1 3.85Å; F39-F142 HydrophobicContact CE2-CB 4.2Å; F39-F142 AromaticContact CE2-CD1 3.91Å; F39-F142 HydrophobicContact CE2-CD1 3.91Å; F39-F142 HydrophobicContact CE2-CG 4.49Å; I127-F142 HydrophobicContact CD1-CE1 4.44Å; R140-F142 HydrophobicContact CB-CE2 3.71Å; R140-F142 HydrophobicContact CB-CZ 3.8Å; R140-F142 HydrophobicContact CG-CZ 4.5Å; F142-L144 HydrophobicContact CB-CD1 4.32Å; F142-L144 WeakPolarHBondContact O-CD1 3.48Å; F142-I158 HydrophobicContact CB-CD1 3.84Å; F142-I158 HydrophobicContact CD1-CD1 4.16Å; F142-I158 HydrophobicContact CD1-CG1 4.24Å; F142-I158 HydrophobicContact CD1-CG2 4.25Å; F142-I158 HydrophobicContact CD2-CG2 3.72Å; F142-I158 HydrophobicContact CE1-CG2 4.21Å; F142-I158 HydrophobicContact CE2-CG2 3.67Å; F142-I158 HydrophobicContact CG-CD1 3.96Å; F142-I158 HydrophobicContact CG-CG1 4.4Å; F142-I158 HydrophobicContact CG-CG2 4.02Å; F142-I158 HydrophobicContact CZ-CG2 3.93Å; F142-C162 HydrophobicContact CE1-CB 3.86Å; F142-C162 HydrophobicContact CZ-CB 3.78Å; F142-C162 WeakPolarHBondContact CZ-O 3.32Å; F142-M163 HydrophobicContact CE2-SD 4.4Å; F142-R172 PolarHBondContact N-O 2.78Å; F142-V173 HydrophobicContact CB-CG2 4.34Å; F142-V173 HydrophobicContact CD2-CG2 4.19Å; F142-V173 CarbonylContact O-C 3.58Å; F142-V173 WeakPolarHBondContact O-CA 3.45Å; F142-I174 PolarHBondContact O-N 3.28Å
143	Y	98.6	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.3	178.5	-162.8	-70.3	0	0	0	111.1	F36 V37 F39 L45 I50 A145 I174 E176 I205 Y445 L449	F36-Y143 HydrophobicContact CE1-CD2 4.1Å; F36-Y143 HydrophobicContact CE1-CG 4.13Å; F36-Y143 AromaticContact CZ-CD2 3.7Å; F36-Y143 HydrophobicContact CZ-CD2 3.7Å; F36-Y143 HydrophobicContact CZ-CG 4.19Å; V37-Y143 PolarHBondContact O-N 3.23Å; F39-Y143 PolarHBondContact N-O 3.42Å; L45-Y143 HydrophobicContact CD2-CE1 4.29Å; I50-Y143 HydrophobicContact CD1-CE1 3.74Å; I50-Y143 HydrophobicContact CD1-CE2 3.83Å; I50-Y143 WeakPolarHBondContact CD1-OH 3.35Å; I50-Y143 HydrophobicContact CG1-CD1 4.33Å; I50-Y143 HydrophobicContact CG1-CE1 3.9Å; I50-Y143 HydrophobicContact CG2-CD2 4.41Å; I50-Y143 HydrophobicContact CG2-CG 4.44Å; Y143-A145 HydrophobicContact CD1-CB 3.75Å; Y143-A145 HydrophobicContact CE1-CB 3.83Å; Y143-A145 PolarHBondContact O-N 3.29Å; Y143-I174 HydrophobicContact CD2-CB 3.85Å; Y143-I174 HydrophobicContact CD2-CD1 3.52Å; Y143-I174 HydrophobicContact CD2-CG1 4.31Å; Y143-I174 HydrophobicContact CD2-CG2 3.75Å; Y143-I174 HydrophobicContact CE2-CB 4.22Å; Y143-I174 HydrophobicContact CE2-CD1 4.11Å; Y143-I174 HydrophobicContact CE2-CG2 3.59Å; Y143-I174 HydrophobicContact CG-CB 4.34Å; Y143-I174 HydrophobicContact CG-CD1 4.46Å; Y143-I174 HydrophobicContact CG-CG2 4.48Å; Y143-E176 HydrophobicContact CE1-CG 4.11Å; Y143-E176 PolarHBondContact OH-OE1 2.75Å; Y143-I205 HydrophobicContact CE2-CD1 3.86Å; Y143-I205 WeakPolarHBondContact OH-CD1 3.32Å; Y143-Y445 WeakPolarHBondContact OH-CE1 3.39Å; Y143-L449 HydrophobicContact CD2-CD2 3.78Å; Y143-L449 HydrophobicContact CE2-CD2 3.58Å
144	L	97.9	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	73.7	-178	-78	59.3	0	0	0	111	F39 F142 V146 Y151 I154 T155 I158 V173 I174 V175	F39-L144 HydrophobicContact CD2-CD1 4.25Å; F142-L144 HydrophobicContact CB-CD1 4.32Å; F142-L144 WeakPolarHBondContact O-CD1 3.48Å; L144-V146 HydrophobicContact CB-CG2 4.17Å; L144-V146 PolarHBondContact O-N 2.62Å; L144-Y151 HydrophobicContact CB-CD1 4.29Å; L144-Y151 HydrophobicContact CB-CE1 4.03Å; L144-Y151 HydrophobicContact CD2-CD1 3.96Å; L144-Y151 HydrophobicContact CD2-CE1 4.46Å; L144-Y151 HydrophobicContact CD2-CG 4.39Å; L144-I154 HydrophobicContact CD1-CG2 4.46Å; L144-I154 HydrophobicContact CD2-CG2 4.36Å; L144-I154 HydrophobicContact CG-CG2 4.19Å; L144-T155 HydrophobicContact CD2-CG2 3.73Å; L144-I158 HydrophobicContact CD1-CD1 4.32Å; L144-V173 HydrophobicContact CD1-CG1 3.65Å; L144-V173 HydrophobicContact CD2-CG1 4.27Å; L144-I174 WeakPolarHBondContact CB-O 3.49Å; L144-I174 PolarHBondContact N-O 3.43Å; L144-V175 HydrophobicContact CD2-CG2 4.41Å
145	A	96.6	Very high	94.9	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	20%	0.196	C	C	.	.			trans	-81.4	50.7	174.9	0	0	0	0	0	111.5	I38 F39 L45 A46 Y143	I38-A145 HydrophobicContact CG2-CB 4.44Å; F39-A145 CarbonylContact O-C 3.57Å; F39-A145 WeakPolarHBondContact O-CA 3.46Å; F39-A145 WeakPolarHBondContact O-CB 3.4Å; F39-A145 PolarHBondContact O-N 2.81Å; L45-A145 HydrophobicContact CD2-CB 4Å; L45-A145 HydrophobicContact CG-CB 4.35Å; A46-A145 HydrophobicContact CB-CB 4.42Å; Y143-A145 HydrophobicContact CD1-CB 3.75Å; Y143-A145 HydrophobicContact CE1-CB 3.83Å; Y143-A145 PolarHBondContact O-N 3.29Å
146	V	95	Very high	95.2	Very high	14 Å²	14	26 Å²	26	9%	0.085	16%	0.162	C	C	.	.	S	Bend	trans	-132.1	161.4	-172.9	-64.8	0	0	0	0	111	F39 Y114 L144 V150 Y151 I154	F39-V146 HydrophobicContact CB-CG1 4.05Å; Y114-V146 HydrophobicContact CE1-CG1 4.09Å; Y114-V146 HydrophobicContact CE2-CG1 4.25Å; L144-V146 HydrophobicContact CB-CG2 4.17Å; L144-V146 PolarHBondContact O-N 2.62Å; V146-V150 HydrophobicContact CB-CG2 3.63Å; V146-V150 HydrophobicContact CG1-CG2 4.4Å; V146-V150 HydrophobicContact CG2-CG2 3.55Å; V146-Y151 HydrophobicContact CG2-CD1 3.76Å; V146-Y151 HydrophobicContact CG2-CE1 3.62Å; V146-Y151 VanDerWaalsContact O-CE1 3.25Å; V146-Y151 WeakPolarHBondContact O-CE1 3.33Å; V146-Y151 PolarHBondContact O-OH 2.76Å; V146-I154 HydrophobicContact CB-CD1 4.43Å; V146-I154 HydrophobicContact CG1-CD1 4.27Å; V146-I154 HydrophobicContact CG2-CD1 3.7Å
147	P	91.6	Very high	95.7	Very high	92 Å²	92	22.5 Å²	22.5	60%	0.597	15%	0.15	S	C	*	.			trans	-60.5	151.1	172.5	-22.7	34.3	0	0	0	112.5	G149 V150	P147-G149 PolarHBondContact O-N 2.69Å; P147-G149 VanDerWaalsContact O-N 3.14Å; P147-V150 WeakPolarHBondContact O-CG2 3.4Å; P147-V150 PolarHBondContact O-N 3.48Å
148	P	90.2	Very high	96	Very high	41 Å²	41	21.3 Å²	21.3	27%	0.266	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-61.3	-28.8	-174	25.3	-36.5	0	0	0	113.7	V150 Y151 P178	P148-V150 PolarHBondContact O-N 2.86Å; P148-Y151 HydrophobicContact CB-CD2 4.19Å; P148-Y151 HydrophobicContact CB-CE2 4.01Å; P148-Y151 WeakPolarHBondContact O-CB 3.4Å; P148-Y151 PolarHBondContact O-N 2.82Å; P148-P178 HydrophobicContact CB-CG 4.21Å; P148-P178 HydrophobicContact CG-CG 3.83Å
149	G	91.2	Very high	96.1	Very high	72 Å²	72	22.2 Å²	22.2	74%	0.742	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-60	-18.9	179.8	0	0	0	0	0	114.8	P147	P147-G149 PolarHBondContact O-N 2.69Å; P147-G149 VanDerWaalsContact O-N 3.14Å
150	V	95.1	Very high	96.1	Very high	39 Å²	39	27.4 Å²	27.4	24%	0.236	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-106.2	3.5	177.3	-62.1	0	0	0	0	113.8	Y114 V146 P147 P148 K152 P153 I154	Y114-V150 HydrophobicContact CD2-CB 4.29Å; Y114-V150 HydrophobicContact CD2-CG1 4.15Å; Y114-V150 HydrophobicContact CD2-CG2 4.14Å; Y114-V150 HydrophobicContact CG-CB 4.5Å; V146-V150 HydrophobicContact CB-CG2 3.63Å; V146-V150 HydrophobicContact CG1-CG2 4.4Å; V146-V150 HydrophobicContact CG2-CG2 3.55Å; P147-V150 WeakPolarHBondContact O-CG2 3.4Å; P147-V150 PolarHBondContact O-N 3.48Å; P148-V150 PolarHBondContact O-N 2.86Å; V150-K152 PolarHBondContact O-N 3.4Å; V150-P153 HydrophobicContact CB-CG 4.3Å; V150-P153 VanDerWaalsContact O-CD 3.3Å; V150-P153 WeakPolarHBondContact O-CD 3.29Å; V150-P153 WeakPolarHBondContact O-CG 3.24Å; V150-I154 HydrophobicContact CB-CD1 4.06Å; V150-I154 HydrophobicContact CG2-CD1 3.76Å; V150-I154 WeakPolarHBondContact O-CB 3.43Å; V150-I154 WeakPolarHBondContact O-CD1 3.35Å; V150-I154 VanDerWaalsContact O-CG1 3.22Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 3.39Å
151	Y	95.8	Very high	96	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-45.8	178.2	-71.6	-7.9	0	0	0	112.3	L144 V146 P148 I154 T155 V175 E176 L189	L144-Y151 HydrophobicContact CB-CD1 4.29Å; L144-Y151 HydrophobicContact CB-CE1 4.03Å; L144-Y151 HydrophobicContact CD2-CD1 3.96Å; L144-Y151 HydrophobicContact CD2-CE1 4.46Å; L144-Y151 HydrophobicContact CD2-CG 4.39Å; V146-Y151 HydrophobicContact CG2-CD1 3.76Å; V146-Y151 HydrophobicContact CG2-CE1 3.62Å; V146-Y151 VanDerWaalsContact O-CE1 3.25Å; V146-Y151 WeakPolarHBondContact O-CE1 3.33Å; V146-Y151 PolarHBondContact O-OH 2.76Å; P148-Y151 HydrophobicContact CB-CD2 4.19Å; P148-Y151 HydrophobicContact CB-CE2 4.01Å; P148-Y151 WeakPolarHBondContact O-CB 3.4Å; P148-Y151 PolarHBondContact O-N 2.82Å; Y151-I154 PolarHBondContact O-N 3.05Å; Y151-T155 WeakPolarHBondContact O-CB 3.47Å; Y151-T155 VanDerWaalsContact O-CG2 3.26Å; Y151-T155 WeakPolarHBondContact O-CG2 3.38Å; Y151-T155 PolarHBondContact O-N 2.9Å; Y151-T155 PolarHBondContact O-OG1 3.31Å; Y151-V175 HydrophobicContact CD2-CG1 3.73Å; Y151-V175 HydrophobicContact CE2-CG1 3.47Å; Y151-V175 VanDerWaalsContact CE2-CG1 3.47Å; Y151-V175 HydrophobicContact CG-CG1 4.43Å; Y151-E176 WeakPolarHBondContact CE2-O 3.42Å; Y151-E176 WeakPolarHBondContact OH-CB 3.34Å; Y151-E176 PolarHBondContact OH-O 2.6Å; Y151-E176 VanDerWaalsContact OH-O 3.05Å; Y151-L189 HydrophobicContact CD2-CD1 4.41Å; Y151-L189 HydrophobicContact CD2-CD2 4.27Å
152	K	96.7	Very high	95.9	Very high	70 Å²	70	29.5 Å²	29.5	30%	0.304	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-54.3	-179.4	-66.5	-166.6	-176.6	-178.4	0	113.6	V150 I154 T155 A156 D188 H192	V150-K152 PolarHBondContact O-N 3.4Å; K152-I154 VanDerWaalsContact C-N 3.32Å; K152-I154 PolarHBondContact O-N 3.44Å; K152-T155 PolarHBondContact O-N 2.82Å; K152-T155 PolarHBondContact O-OG1 3.42Å; K152-T155 VanDerWaalsContact O-OG1 3.1Å; K152-A156 WeakPolarHBondContact O-CB 3.18Å; K152-A156 PolarHBondContact O-N 2.52Å; K152-D188 WeakPolarHBondContact CE-OD2 3.41Å; K152-D188 IonicContact NZ-OD1 3.85Å; K152-D188 PolarHBondContact NZ-OD1 2.75Å; K152-D188 IonicContact NZ-OD2 2.7Å; K152-D188 PolarHBondContact NZ-OD2 3.36Å; K152-H192 VanDerWaalsContact CA-NE2 3.35Å; K152-H192 WeakPolarHBondContact CA-NE2 3.43Å; K152-H192 HydrophobicContact CD-CB 4.34Å; K152-H192 HydrophobicContact CG-CB 4.32Å; K152-H192 PolarHBondContact O-CE1 2.79Å; K152-H192 PolarHBondContact O-NE2 3.49Å
153	P	97.1	Very high	95.5	Very high	41 Å²	41	31.4 Å²	31.4	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-37.8	179.4	22.2	-32.7	0	0	0	112.5	D115 V150 N157	D115-P153 HydrophobicContact CB-CB 4.15Å; V150-P153 HydrophobicContact CB-CG 4.3Å; V150-P153 VanDerWaalsContact O-CD 3.3Å; V150-P153 WeakPolarHBondContact O-CD 3.29Å; V150-P153 WeakPolarHBondContact O-CG 3.24Å; P153-N157 WeakPolarHBondContact O-CB 3.43Å; P153-N157 PolarHBondContact O-N 3.21Å; P153-N157 PolarHBondContact O-ND2 3.18Å
154	I	97.9	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-51	178.4	-69.8	168.5	0	0	0	111	F39 Y114 F120 L144 V146 V150 Y151 K152 A156 N157 I158	F39-I154 HydrophobicContact CB-CD1 4.43Å; F39-I154 HydrophobicContact CD1-CD1 4.32Å; F39-I154 HydrophobicContact CD1-CG1 4.42Å; F39-I154 HydrophobicContact CD1-CG2 3.89Å; F39-I154 HydrophobicContact CD2-CG2 4.09Å; F39-I154 HydrophobicContact CE1-CG2 3.95Å; F39-I154 HydrophobicContact CE2-CG2 4.12Å; F39-I154 HydrophobicContact CG-CG2 3.98Å; F39-I154 HydrophobicContact CZ-CG2 4.06Å; Y114-I154 HydrophobicContact CD1-CD1 3.63Å; Y114-I154 HydrophobicContact CD1-CG1 3.97Å; Y114-I154 HydrophobicContact CE1-CD1 4.3Å; Y114-I154 HydrophobicContact CG-CD1 3.83Å; Y114-I154 HydrophobicContact CG-CG1 4.1Å; F120-I154 HydrophobicContact CE1-CG2 4.36Å; F120-I154 HydrophobicContact CZ-CG1 4.35Å; L144-I154 HydrophobicContact CD1-CG2 4.46Å; L144-I154 HydrophobicContact CD2-CG2 4.36Å; L144-I154 HydrophobicContact CG-CG2 4.19Å; V146-I154 HydrophobicContact CB-CD1 4.43Å; V146-I154 HydrophobicContact CG1-CD1 4.27Å; V146-I154 HydrophobicContact CG2-CD1 3.7Å; V150-I154 HydrophobicContact CB-CD1 4.06Å; V150-I154 HydrophobicContact CG2-CD1 3.76Å; V150-I154 WeakPolarHBondContact O-CB 3.43Å; V150-I154 WeakPolarHBondContact O-CD1 3.35Å; V150-I154 VanDerWaalsContact O-CG1 3.22Å; V150-I154 WeakPolarHBondContact O-CG1 3.35Å; V150-I154 PolarHBondContact O-N 3.39Å; Y151-I154 PolarHBondContact O-N 3.05Å; K152-I154 VanDerWaalsContact C-N 3.32Å; K152-I154 PolarHBondContact O-N 3.44Å; I154-A156 VanDerWaalsContact C-N 3.34Å; I154-A156 PolarHBondContact O-N 3.08Å; I154-N157 PolarHBondContact O-N 3.07Å; I154-I158 HydrophobicContact CG2-CD1 3.59Å; I154-I158 HydrophobicContact CG2-CG1 4.21Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 2.95Å; I154-I158 PolarHBondContact O-N 3.09Å
155	T	97.6	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-37	-176.3	50.8	0	0	0	0	112.4	L144 Y151 K152 A159 V173 H192 L193 F197	L144-T155 HydrophobicContact CD2-CG2 3.73Å; Y151-T155 WeakPolarHBondContact O-CB 3.47Å; Y151-T155 VanDerWaalsContact O-CG2 3.26Å; Y151-T155 WeakPolarHBondContact O-CG2 3.38Å; Y151-T155 PolarHBondContact O-N 2.9Å; Y151-T155 PolarHBondContact O-OG1 3.31Å; K152-T155 PolarHBondContact O-N 2.82Å; K152-T155 PolarHBondContact O-OG1 3.42Å; K152-T155 VanDerWaalsContact O-OG1 3.1Å; T155-A159 WeakPolarHBondContact O-CB 3.34Å; T155-A159 PolarHBondContact O-N 2.8Å; T155-V173 HydrophobicContact CG2-CG1 4.45Å; T155-H192 PolarHBondContact OG1-CD2 3.01Å; T155-H192 PolarHBondContact OG1-NE2 3.32Å; T155-L193 HydrophobicContact CG2-CD2 3.6Å; T155-F197 HydrophobicContact CG2-CE2 4.4Å
156	A	97.4	Very high	93	Very high	17 Å²	17	47.3 Å²	47.3	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-45.8	172.5	0	0	0	0	0	111.8	K152 I154 A159 H160 F196	K152-A156 WeakPolarHBondContact O-CB 3.18Å; K152-A156 PolarHBondContact O-N 2.52Å; I154-A156 VanDerWaalsContact C-N 3.34Å; I154-A156 PolarHBondContact O-N 3.08Å; A156-A159 PolarHBondContact O-N 2.88Å; A156-H160 VanDerWaalsContact O-CG 3.3Å; A156-H160 PolarHBondContact O-N 3.46Å; A156-H160 VanDerWaalsContact O-N 3.07Å; A156-H160 PolarHBondContact O-ND1 3.05Å; A156-H160 VanDerWaalsContact O-ND1 3.12Å; A156-F196 HydrophobicContact CB-CE2 3.99Å; A156-F196 HydrophobicContact CB-CZ 3.99Å
157	N	97.6	Very high	92	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-37.5	178.4	-81.7	-69.9	0	0	0	112.8	F120 P153 I154 A159 H160 H161	F120-N157 HydrophobicContact CB-CB 4.38Å; F120-N157 HydrophobicContact CD1-CB 3.51Å; F120-N157 HydrophobicContact CD2-CB 3.5Å; F120-N157 VanDerWaalsContact CD2-CB 3.5Å; F120-N157 HydrophobicContact CE1-CB 3.46Å; F120-N157 VanDerWaalsContact CE1-CB 3.46Å; F120-N157 HydrophobicContact CE2-CB 3.48Å; F120-N157 VanDerWaalsContact CE2-CB 3.48Å; F120-N157 HydrophobicContact CG-CB 3.53Å; F120-N157 HydrophobicContact CZ-CB 3.46Å; F120-N157 VanDerWaalsContact CZ-CB 3.46Å; P153-N157 WeakPolarHBondContact O-CB 3.43Å; P153-N157 PolarHBondContact O-N 3.21Å; P153-N157 PolarHBondContact O-ND2 3.18Å; I154-N157 PolarHBondContact O-N 3.07Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 3Å; N157-H160 PolarHBondContact O-N 3.38Å; N157-H161 WeakPolarHBondContact O-CB 3.3Å; N157-H161 PolarHBondContact O-CD2 3.17Å; N157-H161 PolarHBondContact O-N 2.92Å
158	I	97.3	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-56.5	-49.4	171.5	-70.6	165.9	0	0	0	109.6	F39 F120 F142 L144 I154 H160 H161 C162 M163 F197	F39-I158 HydrophobicContact CD2-CD1 4.35Å; F39-I158 HydrophobicContact CE2-CD1 3.55Å; F39-I158 HydrophobicContact CE2-CG1 3.95Å; F39-I158 HydrophobicContact CZ-CD1 3.89Å; F39-I158 HydrophobicContact CZ-CG1 3.8Å; F120-I158 HydrophobicContact CD1-CG1 4.35Å; F120-I158 HydrophobicContact CE1-CG1 4.09Å; F142-I158 HydrophobicContact CB-CD1 3.84Å; F142-I158 HydrophobicContact CD1-CD1 4.16Å; F142-I158 HydrophobicContact CD1-CG1 4.24Å; F142-I158 HydrophobicContact CD1-CG2 4.25Å; F142-I158 HydrophobicContact CD2-CG2 3.72Å; F142-I158 HydrophobicContact CE1-CG2 4.21Å; F142-I158 HydrophobicContact CE2-CG2 3.67Å; F142-I158 HydrophobicContact CG-CD1 3.96Å; F142-I158 HydrophobicContact CG-CG1 4.4Å; F142-I158 HydrophobicContact CG-CG2 4.02Å; F142-I158 HydrophobicContact CZ-CG2 3.93Å; L144-I158 HydrophobicContact CD1-CD1 4.32Å; I154-I158 HydrophobicContact CG2-CD1 3.59Å; I154-I158 HydrophobicContact CG2-CG1 4.21Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 2.95Å; I154-I158 PolarHBondContact O-N 3.09Å; I158-H160 VanDerWaalsContact C-N 3.34Å; I158-H160 PolarHBondContact O-N 3.49Å; I158-H161 PolarHBondContact O-N 3.35Å; I158-C162 HydrophobicContact CG2-CB 4.33Å; I158-C162 CarbonylContact O-C 3.52Å; I158-C162 WeakPolarHBondContact O-CA 3.41Å; I158-C162 PolarHBondContact O-N 3.12Å; I158-M163 HydrophobicContact CG2-SD 4.19Å; I158-M163 PolarHBondContact O-N 2.83Å; I158-F197 HydrophobicContact CB-CZ 4.25Å; I158-F197 HydrophobicContact CG2-CE1 4.12Å; I158-F197 HydrophobicContact CG2-CZ 3.86Å
159	A	95.9	Very high	91.6	Very high	21 Å²	21	55.3 Å²	55.3	17%	0.174	29%	0.29	C	S	.	.	I	π-helix	trans	-59.6	-42.7	-178.4	0	0	0	0	0	112.7	T155 A156 N157 F196 F197	T155-A159 WeakPolarHBondContact O-CB 3.34Å; T155-A159 PolarHBondContact O-N 2.8Å; A156-A159 PolarHBondContact O-N 2.88Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 3Å; A159-F196 HydrophobicContact CB-CB 3.63Å; A159-F196 HydrophobicContact CB-CD1 3.47Å; A159-F196 VanDerWaalsContact CB-CD1 3.47Å; A159-F196 HydrophobicContact CB-CE1 4.29Å; A159-F196 HydrophobicContact CB-CG 3.67Å; A159-F197 HydrophobicContact CB-CE2 4.49Å; A159-F197 HydrophobicContact CB-CZ 4.24Å
160	H	94.8	Very high	91.7	Very high	120 Å²	120	55 Å²	55	56%	0.556	27%	0.266	S	S	*	.	I	π-helix	trans	-75.9	-36	-177.9	-64.2	145.6	0	0	0	114	A156 N157 I158 F196	A156-H160 VanDerWaalsContact O-CG 3.3Å; A156-H160 PolarHBondContact O-N 3.46Å; A156-H160 VanDerWaalsContact O-N 3.07Å; A156-H160 PolarHBondContact O-ND1 3.05Å; A156-H160 VanDerWaalsContact O-ND1 3.12Å; N157-H160 PolarHBondContact O-N 3.38Å; I158-H160 VanDerWaalsContact C-N 3.34Å; I158-H160 PolarHBondContact O-N 3.49Å; H160-F196 AromaticContact NE2-CE1 3.8Å
161	H	95.2	Very high	91.7	Very high	57 Å²	57	53.2 Å²	53.2	26%	0.264	26%	0.256	S	S	.	.	I	π-helix	trans	-115.9	-32.7	-168	-58.8	-69.7	0	0	0	114.1	F120 K124 N157 I158	F120-H161 HydrophobicContact CB-CB 3.91Å; K124-H161 VanDerWaalsContact CD-O 3.24Å; K124-H161 WeakPolarHBondContact CD-O 3.43Å; K124-H161 WeakPolarHBondContact CG-O 3.32Å; N157-H161 WeakPolarHBondContact O-CB 3.3Å; N157-H161 PolarHBondContact O-CD2 3.17Å; N157-H161 PolarHBondContact O-N 2.92Å; I158-H161 PolarHBondContact O-N 3.35Å
162	C	95.5	Very high	91.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-113	1.5	-165	-59	0	0	0	0	114.7	F120 R140 F142 I158	F120-C162 PolarHBondContact O-SG 2.85Å; F120-C162 VanDerWaalsContact O-SG 3.37Å; R140-C162 VanDerWaalsContact CD-O 3.29Å; R140-C162 WeakPolarHBondContact CD-O 3.49Å; R140-C162 VanDerWaalsContact NH1-C 3.29Å; R140-C162 PolarHBondContact NH1-O 2.88Å; F142-C162 HydrophobicContact CE1-CB 3.86Å; F142-C162 HydrophobicContact CZ-CB 3.78Å; F142-C162 WeakPolarHBondContact CZ-O 3.32Å; I158-C162 HydrophobicContact CG2-CB 4.33Å; I158-C162 CarbonylContact O-C 3.52Å; I158-C162 WeakPolarHBondContact O-CA 3.41Å; I158-C162 PolarHBondContact O-N 3.12Å
163	M	90.8	Very high	91.8	Very high	41 Å²	41	51.2 Å²	51.2	20%	0.202	25%	0.247	C	C	.	.			trans	-79.1	143	177.7	-68.5	-65	-81	0	0	112.5	R140 F142 I158 S171 F197	R140-M163 PolarHBondContact NH1-O 2.84Å; R140-M163 VanDerWaalsContact NH1-O 3.14Å; F142-M163 HydrophobicContact CE2-SD 4.4Å; I158-M163 HydrophobicContact CG2-SD 4.19Å; I158-M163 PolarHBondContact O-N 2.83Å; M163-S171 VanDerWaalsContact SD-CB 3.52Å; M163-F197 HydrophobicContact CE-CD1 3.98Å; M163-F197 HydrophobicContact CE-CE1 3.88Å; M163-F197 HydrophobicContact SD-CD1 4.28Å; M163-F197 HydrophobicContact SD-CE1 3.59Å; M163-F197 VanDerWaalsContact SD-CE1 3.59Å; M163-F197 HydrophobicContact SD-CZ 4.48Å
164	C	82.8	Confident	91.9	Very high	21 Å²	21	49.2 Å²	49.2	14%	0.142	23%	0.234	C	C	.	.			trans	-83	129.6	166.5	-162	0	0	0	0	108.5	C137 R140 N166 A169	C137-C164 WeakPolarHBondContact CB-SG 3.32Å; C137-C164 WeakPolarHBondContact SG-CB 3.36Å; C137-C164 CovalentContact SG-SG 2.06Å; C137-C164 PolarHBondContact SG-SG 2.77Å; R140-C164 VanDerWaalsContact NH1-N 3.18Å; C164-N166 VanDerWaalsContact SG-CB 3.56Å; C164-A169 HydrophobicContact CB-CB 4.14Å
165	R	77.2	Confident	91.8	Very high	240 Å²	240	49.3 Å²	49.3	91%	0.906	23%	0.234	S	C	*	.			trans	-92.6	1.8	173.3	-64	-174.1	-178.6	-179.3	0.4	113.1
166	N	79.6	Confident	91.7	Very high	84 Å²	84	49.9 Å²	49.9	45%	0.449	24%	0.237	S	C	.	.	S	Bend	trans	-84.8	132.3	178.9	-166.9	-32.7	0	0	0	109.2	C137 C164 N168 A169	C137-N166 HydrophobicContact CB-CB 4.37Å; C164-N166 VanDerWaalsContact SG-CB 3.56Å; N166-N168 PolarHBondContact O-N 2.98Å; N166-N168 PolarHBondContact OD1-N 2.73Å; N166-N168 VanDerWaalsContact OD1-N 3.13Å; N166-A169 PolarHBondContact O-N 3.29Å
167	E	75.4	Confident	91.3	Very high	192 Å²	192	49.8 Å²	49.8	90%	0.897	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.5	-179.8	-63.5	-179.1	170	0	0	112.9	A169	E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.48Å
168	N	83.1	Confident	90.9	Very high	113 Å²	113	49.4 Å²	49.4	60%	0.604	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	5.2	-178.9	-66	-20.3	0	0	0	114.6	N166	N166-N168 PolarHBondContact O-N 2.98Å; N166-N168 PolarHBondContact OD1-N 2.73Å; N166-N168 VanDerWaalsContact OD1-N 3.13Å
169	A	90.5	Very high	90.7	Very high	11 Å²	11	50 Å²	50	9%	0.091	24%	0.235	C	C	.	.			trans	-138.3	135.2	177.3	0	0	0	0	0	110.9	C137 N139 C164 N166 E167	C137-A169 HydrophobicContact CB-CB 3.75Å; N139-A169 WeakPolarHBondContact OD1-CA 3.5Å; C164-A169 HydrophobicContact CB-CB 4.14Å; N166-A169 PolarHBondContact O-N 3.29Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.48Å
170	W	92.8	Very high	90.5	Very high	64 Å²	64	49.9 Å²	49.9	24%	0.242	24%	0.235	C	C	.	.			trans	-97.8	159.7	177.6	51.9	-104.6	0	0	0	111.6	H34 N139 R140 I141 R172	H34-W170 AromaticContact CD2-CH2 3.8Å; H34-W170 AromaticContact CD2-CZ2 3.57Å; H34-W170 AromaticContact NE2-CZ2 3.5Å; N139-W170 HydrophobicContact CB-CD2 3.83Å; N139-W170 HydrophobicContact CB-CE3 4.06Å; N139-W170 HydrophobicContact CB-CH2 3.84Å; N139-W170 HydrophobicContact CB-CZ2 3.56Å; N139-W170 HydrophobicContact CB-CZ3 4.07Å; N139-W170 VanDerWaalsContact CG-NE1 3.28Å; N139-W170 PolarHBondContact ND2-NE1 2.81Å; N139-W170 VanDerWaalsContact ND2-NE1 3.15Å; N139-W170 PolarHBondContact OD1-N 3.15Å; N139-W170 VanDerWaalsContact OD1-N 3.09Å; N139-W170 PolarHBondContact OD1-NE1 3.21Å; R140-W170 PolarHBondContact N-O 2.83Å; R140-W170 WeakPolarHBondContact O-CZ3 3.23Å; I141-W170 HydrophobicContact CD1-CH2 3.92Å; I141-W170 HydrophobicContact CD1-CZ3 4.23Å; I141-W170 HydrophobicContact CG1-CH2 3.71Å; I141-W170 HydrophobicContact CG1-CZ3 3.52Å; W170-R172 HydrophobicContact CD2-CG 4.45Å; W170-R172 HydrophobicContact CE3-CB 4.27Å; W170-R172 HydrophobicContact CE3-CG 3.57Å; W170-R172 VanDerWaalsContact CH2-NH1 3.31Å; W170-R172 HydrophobicContact CZ3-CB 4.15Å; W170-R172 HydrophobicContact CZ3-CG 3.79Å
171	S	95.3	Very high	90.4	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.4	172.6	-64.8	0	0	0	0	108.5	R140 M163 Q201	R140-S171 CarbonylContact O-C 3.56Å; R140-S171 VanDerWaalsContact O-CA 3.31Å; R140-S171 WeakPolarHBondContact O-CA 3.35Å; M163-S171 VanDerWaalsContact SD-CB 3.52Å; S171-Q201 WeakPolarHBondContact O-CB 3.34Å; S171-Q201 WeakPolarHBondContact O-CG 2.94Å; S171-Q201 PolarHBondContact O-NE2 3.23Å
172	R	96.9	Very high	90.4	Very high	29 Å²	29	48.8 Å²	48.8	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.6	-177.2	-65.5	174.7	179.8	145.6	5.3	109.6	R140 I141 F142 W170 Q201 Y203 V452 F453	R140-R172 PolarHBondContact O-N 3.46Å; I141-R172 CarbonylContact C-O 3.53Å; I141-R172 WeakPolarHBondContact CA-O 3.37Å; F142-R172 PolarHBondContact N-O 2.78Å; W170-R172 HydrophobicContact CD2-CG 4.45Å; W170-R172 HydrophobicContact CE3-CB 4.27Å; W170-R172 HydrophobicContact CE3-CG 3.57Å; W170-R172 VanDerWaalsContact CH2-NH1 3.31Å; W170-R172 HydrophobicContact CZ3-CB 4.15Å; W170-R172 HydrophobicContact CZ3-CG 3.79Å; R172-Q201 CarbonylContact C-O 3.56Å; R172-Q201 WeakPolarHBondContact CA-O 3.49Å; R172-Y203 HydrophobicContact CB-CD2 3.99Å; R172-Y203 HydrophobicContact CB-CE2 3.83Å; R172-Y203 HydrophobicContact CG-CD2 4.23Å; R172-Y203 HydrophobicContact CG-CE2 3.55Å; R172-Y203 PolarHBondContact NE-OH 2.87Å; R172-V452 HydrophobicContact CB-CG1 4.15Å; R172-V452 VanDerWaalsContact CD-O 3.28Å; R172-V452 WeakPolarHBondContact CD-O 3.48Å; R172-V452 PolarHBondContact NH1-O 2.86Å; R172-F453 PolarHBondContact NH1-O 2.76Å
173	V	97.9	Very high	90.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.5	179.3	-177.8	0	0	0	0	108.7	F142 L144 T155 V175 F197 Q201 Y203	F142-V173 HydrophobicContact CB-CG2 4.34Å; F142-V173 HydrophobicContact CD2-CG2 4.19Å; F142-V173 CarbonylContact O-C 3.58Å; F142-V173 WeakPolarHBondContact O-CA 3.45Å; L144-V173 HydrophobicContact CD1-CG1 3.65Å; L144-V173 HydrophobicContact CD2-CG1 4.27Å; T155-V173 HydrophobicContact CG2-CG1 4.45Å; V173-V175 HydrophobicContact CG1-CG2 3.98Å; V173-F197 HydrophobicContact CG2-CD1 3.68Å; V173-F197 HydrophobicContact CG2-CE1 3.33Å; V173-F197 HydrophobicContact CG2-CE2 4.34Å; V173-F197 HydrophobicContact CG2-CG 4.3Å; V173-F197 HydrophobicContact CG2-CZ 3.73Å; V173-Q201 PolarHBondContact N-O 2.59Å; V173-Y203 PolarHBondContact O-N 2.79Å
174	I	98.2	Very high	90.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.1	176.2	-56.4	165.4	0	0	0	108.5	F36 I141 F142 Y143 L144 Y203 I205 L449 V452	F36-I174 HydrophobicContact CE2-CD1 4.25Å; F36-I174 HydrophobicContact CZ-CD1 4.16Å; I141-I174 HydrophobicContact CG2-CD1 3.43Å; I141-I174 VanDerWaalsContact CG2-CD1 3.43Å; I141-I174 HydrophobicContact CG2-CG1 4.03Å; F142-I174 PolarHBondContact O-N 3.28Å; Y143-I174 HydrophobicContact CD2-CB 3.85Å; Y143-I174 HydrophobicContact CD2-CD1 3.52Å; Y143-I174 HydrophobicContact CD2-CG1 4.31Å; Y143-I174 HydrophobicContact CD2-CG2 3.75Å; Y143-I174 HydrophobicContact CE2-CB 4.22Å; Y143-I174 HydrophobicContact CE2-CD1 4.11Å; Y143-I174 HydrophobicContact CE2-CG2 3.59Å; Y143-I174 HydrophobicContact CG-CB 4.34Å; Y143-I174 HydrophobicContact CG-CD1 4.46Å; Y143-I174 HydrophobicContact CG-CG2 4.48Å; L144-I174 WeakPolarHBondContact CB-O 3.49Å; L144-I174 PolarHBondContact N-O 3.43Å; I174-Y203 CarbonylContact C-O 3.48Å; I174-Y203 VanDerWaalsContact CA-O 3.3Å; I174-Y203 WeakPolarHBondContact CA-O 3.46Å; I174-I205 HydrophobicContact CG2-CD1 3.36Å; I174-I205 HydrophobicContact CG2-CG1 3.67Å; I174-L449 HydrophobicContact CD1-CD2 3.77Å; I174-V452 HydrophobicContact CD1-CB 4.1Å; I174-V452 HydrophobicContact CD1-CG1 3.85Å; I174-V452 HydrophobicContact CD1-CG2 3.73Å; I174-V452 HydrophobicContact CG1-CB 4.48Å; I174-V452 HydrophobicContact CG1-CG1 3.95Å; I174-V452 HydrophobicContact CG1-CG2 3.87Å
175	V	96.9	Very high	91.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.4	-177.6	-167.7	0	0	0	0	109.3	L144 Y151 V173 F179 L193 Y203 I205	L144-V175 HydrophobicContact CD2-CG2 4.41Å; Y151-V175 HydrophobicContact CD2-CG1 3.73Å; Y151-V175 HydrophobicContact CE2-CG1 3.47Å; Y151-V175 VanDerWaalsContact CE2-CG1 3.47Å; Y151-V175 HydrophobicContact CG-CG1 4.43Å; V173-V175 HydrophobicContact CG1-CG2 3.98Å; V175-F179 HydrophobicContact CB-CE1 4.06Å; V175-F179 HydrophobicContact CG1-CD1 4.22Å; V175-F179 HydrophobicContact CG1-CE1 3.9Å; V175-F179 WeakPolarHBondContact O-CE1 3.2Å; V175-F179 WeakPolarHBondContact O-CZ 3.17Å; V175-L193 HydrophobicContact CG2-CD1 4.5Å; V175-Y203 PolarHBondContact N-O 3.14Å; V175-I205 PolarHBondContact O-N 3.07Å
176	E	93.9	Very high	92.1	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-92.8	159.7	179	-77.5	-78.1	-166.1	0	0	112.4	L45 Y143 Y151 F179 Y445	L45-E176 HydrophobicContact CD2-CG 4.03Å; Y143-E176 HydrophobicContact CE1-CG 4.11Å; Y143-E176 PolarHBondContact OH-OE1 2.75Å; Y151-E176 WeakPolarHBondContact CE2-O 3.42Å; Y151-E176 WeakPolarHBondContact OH-CB 3.34Å; Y151-E176 PolarHBondContact OH-O 2.6Å; Y151-E176 VanDerWaalsContact OH-O 3.05Å; E176-F179 VanDerWaalsContact C-CE1 3.46Å; E176-F179 WeakPolarHBondContact O-CE1 3.45Å; E176-Y445 WeakPolarHBondContact OE1-CE1 3.36Å; E176-Y445 PolarHBondContact OE1-OH 3.1Å; E176-Y445 VanDerWaalsContact OE1-OH 3.09Å
177	K	90	Very high	92.9	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.065	23%	0.226	C	C	.	.	S	Bend	trans	-65.8	146.9	167.7	67.2	167.1	-173.3	168.7	0	110.3	M1 F179 D264 N268 H269	M1-K177 HydrophobicContact CE-CD 3.83Å; M1-K177 HydrophobicContact CE-CG 3.92Å; K177-F179 HydrophobicContact CB-CD2 4.4Å; K177-F179 HydrophobicContact CB-CE2 4.05Å; K177-F179 HydrophobicContact CB-CZ 4.41Å; K177-D264 PolarHBondContact NZ-O 3.46Å; K177-D264 IonicContact NZ-OD1 3.18Å; K177-D264 PolarHBondContact NZ-OD1 3.36Å; K177-N268 WeakPolarHBondContact CD-ND2 3.49Å; K177-H269 PolarHBondContact NZ-CE1 2.68Å; K177-H269 PolarHBondContact NZ-NE2 2.76Å
178	P	89.9	Confident	93.9	Very high	13 Å²	13	40 Å²	40	8%	0.084	21%	0.205	C	C	.	.	P	Polyproline II helix	cis	-89.5	139.8	10.4	34.3	-34.6	0	0	0	114.1	P148 G180 Y259	P148-P178 HydrophobicContact CB-CG 4.21Å; P148-P178 HydrophobicContact CG-CG 3.83Å; P178-G180 VanDerWaalsContact C-N 3.35Å; P178-G180 PolarHBondContact O-N 2.83Å; P178-Y259 HydrophobicContact CB-CD1 4.37Å; P178-Y259 HydrophobicContact CB-CE1 3.77Å; P178-Y259 HydrophobicContact CG-CE1 3.63Å
179	F	92.3	Very high	94.5	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.057	18%	0.18	C	C	.	.	S	Bend	trans	-94.7	61.1	176.4	-48.9	-68.1	0	0	0	111.6	V175 E176 K177 S186 R204 I205 L466 W470	V175-F179 HydrophobicContact CB-CE1 4.06Å; V175-F179 HydrophobicContact CG1-CD1 4.22Å; V175-F179 HydrophobicContact CG1-CE1 3.9Å; V175-F179 WeakPolarHBondContact O-CE1 3.2Å; V175-F179 WeakPolarHBondContact O-CZ 3.17Å; E176-F179 VanDerWaalsContact C-CE1 3.46Å; E176-F179 WeakPolarHBondContact O-CE1 3.45Å; K177-F179 HydrophobicContact CB-CD2 4.4Å; K177-F179 HydrophobicContact CB-CE2 4.05Å; K177-F179 HydrophobicContact CB-CZ 4.41Å; F179-S186 WeakPolarHBondContact O-CB 3.34Å; F179-S186 PolarHBondContact O-OG 3.48Å; F179-R204 HydrophobicContact CD1-CG 4.41Å; F179-R204 HydrophobicContact CE1-CB 3.8Å; F179-R204 HydrophobicContact CE1-CG 4Å; F179-R204 HydrophobicContact CE2-CB 4.16Å; F179-R204 HydrophobicContact CZ-CB 3.6Å; F179-R204 HydrophobicContact CZ-CG 4.31Å; F179-I205 WeakPolarHBondContact CZ-O 3.32Å; F179-L466 HydrophobicContact CB-CD1 3.98Å; F179-L466 HydrophobicContact CB-CD2 3.45Å; F179-L466 VanDerWaalsContact CB-CD2 3.45Å; F179-L466 HydrophobicContact CB-CG 4.33Å; F179-L466 HydrophobicContact CD2-CD1 4.13Å; F179-L466 HydrophobicContact CD2-CD2 4.46Å; F179-L466 HydrophobicContact CG-CD1 4.43Å; F179-L466 HydrophobicContact CG-CD2 4.06Å; F179-W470 PolarHBondContact O-NE1 3.1Å
180	G	91.6	Very high	94.7	Very high	17 Å²	17	35.6 Å²	35.6	18%	0.175	18%	0.18	C	C	.	.			trans	88.4	179.1	-166.8	0	0	0	0	0	112.5	P178 W470	P178-G180 VanDerWaalsContact C-N 3.35Å; P178-G180 PolarHBondContact O-N 2.83Å; G180-W470 VanDerWaalsContact O-CZ2 3.32Å; G180-W470 WeakPolarHBondContact O-CZ2 3.47Å
181	K	92.7	Very high	94.9	Very high	114 Å²	114	35 Å²	35	50%	0.496	19%	0.19	S	C	.	.	S	Bend	trans	-119.2	-7.5	177.5	62.9	172.9	-173.6	173.5	0	113	S185 R263 W470	K181-S185 WeakPolarHBondContact CG-OG 3.31Å; K181-S185 PolarHBondContact N-OG 2.88Å; K181-R263 PolarHBondContact O-NE 2.99Å; K181-R263 PolarHBondContact O-NH2 3.08Å; K181-W470 VanDerWaalsContact C-CZ3 3.43Å; K181-W470 VanDerWaalsContact O-CZ3 3.25Å; K181-W470 WeakPolarHBondContact O-CZ3 3.44Å
182	D	94.2	Very high	95	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.219	20%	0.195	C	C	.	.	S	Bend	trans	-164.1	175.9	-178.3	50.1	41.2	0	0	0	108.7	E184 S185 S186	D182-E184 VanDerWaalsContact C-N 3.28Å; D182-E184 PolarHBondContact O-N 2.76Å; D182-E184 PolarHBondContact OD1-N 3.27Å; D182-S185 PolarHBondContact N-OG 3.38Å; D182-S185 VanDerWaalsContact N-OG 3.14Å; D182-S185 PolarHBondContact O-OG 2.92Å; D182-S185 VanDerWaalsContact OD1-CB 3.27Å; D182-S185 WeakPolarHBondContact OD1-CB 3.37Å; D182-S185 PolarHBondContact OD1-N 3.28Å; D182-S185 PolarHBondContact OD1-OG 2.85Å; D182-S186 WeakPolarHBondContact O-CB 3.25Å; D182-S186 PolarHBondContact O-N 2.73Å
183	T	96.1	Very high	95	Very high	33 Å²	33	34.9 Å²	34.9	20%	0.202	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-42.4	178.8	-55.1	0	0	0	0	112.5	L187 W470 S474	T183-L187 HydrophobicContact CG2-CD1 3.89Å; T183-L187 HydrophobicContact CG2-CG 4.4Å; T183-L187 VanDerWaalsContact O-CB 3.32Å; T183-L187 WeakPolarHBondContact O-CB 3.43Å; T183-L187 WeakPolarHBondContact O-CG 3.31Å; T183-L187 PolarHBondContact O-N 3.13Å; T183-W470 VanDerWaalsContact OG1-C 3.3Å; T183-W470 PolarHBondContact OG1-O 3.43Å; T183-S474 PolarHBondContact N-OG 3.04Å; T183-S474 WeakPolarHBondContact OG1-CB 3.49Å; T183-S474 PolarHBondContact OG1-OG 2.71Å
184	E	96.2	Very high	94.9	Very high	160 Å²	160	38 Å²	38	75%	0.748	21%	0.212	S	C	*	.	H	α-helix	trans	-69	-52.2	-174.7	-174.7	178.7	176.5	0	0	111.7	D182 S186 L187 D188	D182-E184 VanDerWaalsContact C-N 3.28Å; D182-E184 PolarHBondContact O-N 2.76Å; D182-E184 PolarHBondContact OD1-N 3.27Å; E184-S186 VanDerWaalsContact C-N 3.28Å; E184-S186 PolarHBondContact O-N 3.15Å; E184-L187 PolarHBondContact O-N 2.88Å; E184-D188 PolarHBondContact O-N 2.87Å
185	S	95.2	Very high	94.8	Very high	29 Å²	29	45.5 Å²	45.5	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-32.2	178.6	57.5	0	0	0	0	112.7	K181 D182 L189	K181-S185 WeakPolarHBondContact CG-OG 3.31Å; K181-S185 PolarHBondContact N-OG 2.88Å; D182-S185 PolarHBondContact N-OG 3.38Å; D182-S185 VanDerWaalsContact N-OG 3.14Å; D182-S185 PolarHBondContact O-OG 2.92Å; D182-S185 VanDerWaalsContact OD1-CB 3.27Å; D182-S185 WeakPolarHBondContact OD1-CB 3.37Å; D182-S185 PolarHBondContact OD1-N 3.28Å; D182-S185 PolarHBondContact OD1-OG 2.85Å; S185-L189 PolarHBondContact O-N 2.93Å; S185-L189 VanDerWaalsContact O-N 3.11Å
186	S	95.9	Very high	94.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-69.9	-41.3	174.4	-166.2	0	0	0	0	112.6	F179 D182 E184 L189 S190 L466 W470	F179-S186 WeakPolarHBondContact O-CB 3.34Å; F179-S186 PolarHBondContact O-OG 3.48Å; D182-S186 WeakPolarHBondContact O-CB 3.25Å; D182-S186 PolarHBondContact O-N 2.73Å; E184-S186 VanDerWaalsContact C-N 3.28Å; E184-S186 PolarHBondContact O-N 3.15Å; S186-L189 PolarHBondContact O-N 2.85Å; S186-S190 WeakPolarHBondContact O-CB 3.43Å; S186-S190 PolarHBondContact O-N 3.36Å; S186-S190 PolarHBondContact O-OG 2.96Å; S186-L466 WeakPolarHBondContact OG-CD2 3.33Å; S186-W470 PolarHBondContact OG-NE1 3.22Å; S186-W470 VanDerWaalsContact OG-NE1 3.17Å
187	L	95.6	Very high	94.8	Very high	83 Å²	83	48.2 Å²	48.2	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.8	-79	173.1	0	0	0	111.6	T183 E184 S190 A191	T183-L187 HydrophobicContact CG2-CD1 3.89Å; T183-L187 HydrophobicContact CG2-CG 4.4Å; T183-L187 VanDerWaalsContact O-CB 3.32Å; T183-L187 WeakPolarHBondContact O-CB 3.43Å; T183-L187 WeakPolarHBondContact O-CG 3.31Å; T183-L187 PolarHBondContact O-N 3.13Å; E184-L187 PolarHBondContact O-N 2.88Å; L187-S190 PolarHBondContact O-N 3.14Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 2.87Å
188	D	96.5	Very high	95.1	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-44	176.3	166.3	56.1	0	0	0	112.1	K152 E184 H192	K152-D188 WeakPolarHBondContact CE-OD2 3.41Å; K152-D188 IonicContact NZ-OD1 3.85Å; K152-D188 PolarHBondContact NZ-OD1 2.75Å; K152-D188 IonicContact NZ-OD2 2.7Å; K152-D188 PolarHBondContact NZ-OD2 3.36Å; E184-D188 PolarHBondContact O-N 2.87Å; D188-H192 WeakPolarHBondContact O-CB 3.41Å; D188-H192 PolarHBondContact O-N 2.96Å
189	L	96	Very high	95.4	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-46.3	173	178.9	61.2	0	0	0	111.7	Y151 S185 S186 A191 H192 L193	Y151-L189 HydrophobicContact CD2-CD1 4.41Å; Y151-L189 HydrophobicContact CD2-CD2 4.27Å; S185-L189 PolarHBondContact O-N 2.93Å; S185-L189 VanDerWaalsContact O-N 3.11Å; S186-L189 PolarHBondContact O-N 2.85Å; L189-A191 PolarHBondContact O-N 2.83Å; L189-H192 WeakPolarHBondContact O-CB 3.13Å; L189-H192 PolarHBondContact O-N 3.21Å; L189-L193 HydrophobicContact CD1-CD1 4.41Å; L189-L193 HydrophobicContact CD1-CG 4.37Å; L189-L193 HydrophobicContact CG-CD1 4.28Å; L189-L193 WeakPolarHBondContact O-CG 3.16Å; L189-L193 PolarHBondContact O-N 2.9Å
190	S	95.7	Very high	95.4	Very high	14 Å²	14	59.1 Å²	59.1	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-40.7	-178.7	-60.5	0	0	0	0	112	S186 L187 H192 L193 S194	S186-S190 WeakPolarHBondContact O-CB 3.43Å; S186-S190 PolarHBondContact O-N 3.36Å; S186-S190 PolarHBondContact O-OG 2.96Å; L187-S190 PolarHBondContact O-N 3.14Å; S190-H192 VanDerWaalsContact C-N 3.34Å; S190-L193 PolarHBondContact O-N 2.85Å; S190-S194 WeakPolarHBondContact O-CB 3.44Å; S190-S194 PolarHBondContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.11Å
191	A	96.1	Very high	95.6	Very high	53 Å²	53	59.1 Å²	59.1	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-37.4	174.4	0	0	0	0	0	111.7	L187 L189 K195	L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 2.87Å; L189-A191 PolarHBondContact O-N 2.83Å; A191-K195 WeakPolarHBondContact O-CG 3.17Å; A191-K195 PolarHBondContact O-N 3.44Å
192	H	97	Very high	95.9	Very high	27 Å²	27	53.9 Å²	53.9	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-47.6	173.3	179.2	92.1	0	0	0	111.9	K152 T155 D188 L189 S190 K195 F196	K152-H192 VanDerWaalsContact CA-NE2 3.35Å; K152-H192 WeakPolarHBondContact CA-NE2 3.43Å; K152-H192 HydrophobicContact CD-CB 4.34Å; K152-H192 HydrophobicContact CG-CB 4.32Å; K152-H192 PolarHBondContact O-CE1 2.79Å; K152-H192 PolarHBondContact O-NE2 3.49Å; T155-H192 PolarHBondContact OG1-CD2 3.01Å; T155-H192 PolarHBondContact OG1-NE2 3.32Å; D188-H192 WeakPolarHBondContact O-CB 3.41Å; D188-H192 PolarHBondContact O-N 2.96Å; L189-H192 WeakPolarHBondContact O-CB 3.13Å; L189-H192 PolarHBondContact O-N 3.21Å; S190-H192 VanDerWaalsContact C-N 3.34Å; H192-K195 WeakPolarHBondContact O-CB 3.27Å; H192-K195 PolarHBondContact O-N 2.94Å; H192-F196 AromaticContact CE1-CE2 3.66Å; H192-F196 AromaticContact NE2-CE2 3.71Å; H192-F196 VanDerWaalsContact O-CD2 3.3Å; H192-F196 WeakPolarHBondContact O-CD2 3.47Å
193	L	96.9	Very high	96	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-44.3	179.4	-66	174.1	0	0	0	111.9	T155 V175 L189 S190 K195 F196 F197 I202	T155-L193 HydrophobicContact CG2-CD2 3.6Å; V175-L193 HydrophobicContact CG2-CD1 4.5Å; L189-L193 HydrophobicContact CD1-CD1 4.41Å; L189-L193 HydrophobicContact CD1-CG 4.37Å; L189-L193 HydrophobicContact CG-CD1 4.28Å; L189-L193 WeakPolarHBondContact O-CG 3.16Å; L189-L193 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 2.85Å; L193-K195 PolarHBondContact O-N 3.25Å; L193-F196 PolarHBondContact O-N 3.17Å; L193-F197 PolarHBondContact O-N 3.38Å; L193-I202 HydrophobicContact CB-CD1 3.93Å; L193-I202 HydrophobicContact CD1-CG2 4.5Å
194	S	95.9	Very high	96.1	Very high	67 Å²	67	50.6 Å²	50.6	47%	0.469	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-17.7	-177.3	-54.8	0	0	0	0	113.8	S190 F196	S190-S194 WeakPolarHBondContact O-CB 3.44Å; S190-S194 PolarHBondContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.11Å; S194-F196 PolarHBondContact O-N 2.77Å
195	K	96.2	Very high	96.1	Very high	157 Å²	157	43 Å²	43	68%	0.683	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-27.2	171.6	-74.4	168.9	-171.8	179.1	0	112.7	A191 H192 L193	A191-K195 WeakPolarHBondContact O-CG 3.17Å; A191-K195 PolarHBondContact O-N 3.44Å; H192-K195 WeakPolarHBondContact O-CB 3.27Å; H192-K195 PolarHBondContact O-N 2.94Å; L193-K195 PolarHBondContact O-N 3.25Å
196	F	95.5	Very high	96	Very high	63 Å²	63	41.8 Å²	41.8	28%	0.276	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-30.6	-168.7	-62.6	-62.2	0	0	0	113.4	A156 A159 H160 H192 L193 S194	A156-F196 HydrophobicContact CB-CE2 3.99Å; A156-F196 HydrophobicContact CB-CZ 3.99Å; A159-F196 HydrophobicContact CB-CB 3.63Å; A159-F196 HydrophobicContact CB-CD1 3.47Å; A159-F196 VanDerWaalsContact CB-CD1 3.47Å; A159-F196 HydrophobicContact CB-CE1 4.29Å; A159-F196 HydrophobicContact CB-CG 3.67Å; H160-F196 AromaticContact NE2-CE1 3.8Å; H192-F196 AromaticContact CE1-CE2 3.66Å; H192-F196 AromaticContact NE2-CE2 3.71Å; H192-F196 VanDerWaalsContact O-CD2 3.3Å; H192-F196 WeakPolarHBondContact O-CD2 3.47Å; L193-F196 PolarHBondContact O-N 3.17Å; S194-F196 PolarHBondContact O-N 2.77Å
197	F	96.3	Very high	95.9	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.026	22%	0.216	C	C	.	.			trans	-126.9	139.4	-174.3	-55.9	-84.3	0	0	0	109.6	T155 I158 A159 M163 V173 L193 Q201 I202	T155-F197 HydrophobicContact CG2-CE2 4.4Å; I158-F197 HydrophobicContact CB-CZ 4.25Å; I158-F197 HydrophobicContact CG2-CE1 4.12Å; I158-F197 HydrophobicContact CG2-CZ 3.86Å; A159-F197 HydrophobicContact CB-CE2 4.49Å; A159-F197 HydrophobicContact CB-CZ 4.24Å; M163-F197 HydrophobicContact CE-CD1 3.98Å; M163-F197 HydrophobicContact CE-CE1 3.88Å; M163-F197 HydrophobicContact SD-CD1 4.28Å; M163-F197 HydrophobicContact SD-CE1 3.59Å; M163-F197 VanDerWaalsContact SD-CE1 3.59Å; M163-F197 HydrophobicContact SD-CZ 4.48Å; V173-F197 HydrophobicContact CG2-CD1 3.68Å; V173-F197 HydrophobicContact CG2-CE1 3.33Å; V173-F197 HydrophobicContact CG2-CE2 4.34Å; V173-F197 HydrophobicContact CG2-CG 4.3Å; V173-F197 HydrophobicContact CG2-CZ 3.73Å; L193-F197 PolarHBondContact O-N 3.38Å; F197-Q201 HydrophobicContact CB-CB 4.25Å; F197-I202 HydrophobicContact CB-CD1 4.02Å; F197-I202 HydrophobicContact CB-CG1 3.75Å
198	R	95.2	Very high	95.7	Very high	144 Å²	144	38.8 Å²	38.8	54%	0.543	20%	0.195	S	C	.	.			trans	-72.6	160.7	167	-59.5	-172.5	-49.2	-90	1.2	110.1	D200 Q201	R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.35Å; R198-D200 IonicContact CZ-OD1 3.19Å; R198-D200 IonicContact CZ-OD2 3.82Å; R198-D200 IonicContact NE-OD1 2.75Å; R198-D200 PolarHBondContact NE-OD1 3Å; R198-D200 IonicContact NE-OD2 3.3Å; R198-D200 PolarHBondContact NE-OD2 2.82Å; R198-D200 IonicContact NH2-OD1 3.26Å; R198-D200 PolarHBondContact NH2-OD1 3.48Å; R198-D200 IonicContact NH2-OD2 2.84Å; R198-D200 PolarHBondContact NH2-OD2 3.32Å; R198-D200 PolarHBondContact O-N 3.25Å; R198-Q201 HydrophobicContact CB-CG 4.24Å; R198-Q201 WeakPolarHBondContact O-CB 3.46Å; R198-Q201 PolarHBondContact O-N 2.73Å
199	E	95.6	Very high	95.5	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33.9	-179.1	-167.1	65.1	-165.7	0	0	112.4	Q201 I202 R204 Q457 R462 S463	E199-Q201 PolarHBondContact O-N 3.18Å; E199-Q201 VanDerWaalsContact O-N 3.13Å; E199-I202 PolarHBondContact O-N 3.14Å; E199-I202 VanDerWaalsContact O-N 3.15Å; E199-R204 IonicContact OE1-CZ 3.01Å; E199-R204 IonicContact OE1-NH1 3.82Å; E199-R204 PolarHBondContact OE1-NH1 3.33Å; E199-R204 IonicContact OE1-NH2 3.22Å; E199-R204 IonicContact OE2-NH1 3.52Å; E199-R204 IonicContact OE2-NH2 3.43Å; E199-Q457 PolarHBondContact O-NE2 3.4Å; E199-R462 HydrophobicContact CG-CG 4.01Å; E199-R462 WeakPolarHBondContact OE1-CA 3.41Å; E199-R462 WeakPolarHBondContact OE1-CG 3.44Å; E199-S463 PolarHBondContact OE1-N 3.32Å; E199-S463 PolarHBondContact OE1-OG 3.01Å; E199-S463 VanDerWaalsContact OE1-OG 3.1Å; E199-S463 PolarHBondContact OE2-OG 3.16Å
200	D	93.9	Very high	95.3	Very high	73 Å²	73	34 Å²	34	39%	0.39	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67.8	-8	175.3	67.8	-43.9	0	0	0	114	R198	R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.35Å; R198-D200 IonicContact CZ-OD1 3.19Å; R198-D200 IonicContact CZ-OD2 3.82Å; R198-D200 IonicContact NE-OD1 2.75Å; R198-D200 PolarHBondContact NE-OD1 3Å; R198-D200 IonicContact NE-OD2 3.3Å; R198-D200 PolarHBondContact NE-OD2 2.82Å; R198-D200 IonicContact NH2-OD1 3.26Å; R198-D200 PolarHBondContact NH2-OD1 3.48Å; R198-D200 IonicContact NH2-OD2 2.84Å; R198-D200 PolarHBondContact NH2-OD2 3.32Å; R198-D200 PolarHBondContact O-N 3.25Å
201	Q	95.9	Very high	95.2	Very high	17 Å²	17	34.7 Å²	34.7	8%	0.079	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-103.8	-8.8	177.4	-56.1	-176.7	-77.8	0	0	112.6	S171 R172 V173 F197 R198 E199	S171-Q201 WeakPolarHBondContact O-CB 3.34Å; S171-Q201 WeakPolarHBondContact O-CG 2.94Å; S171-Q201 PolarHBondContact O-NE2 3.23Å; R172-Q201 CarbonylContact C-O 3.56Å; R172-Q201 WeakPolarHBondContact CA-O 3.49Å; V173-Q201 PolarHBondContact N-O 2.59Å; F197-Q201 HydrophobicContact CB-CB 4.25Å; R198-Q201 HydrophobicContact CB-CG 4.24Å; R198-Q201 WeakPolarHBondContact O-CB 3.46Å; R198-Q201 PolarHBondContact O-N 2.73Å; E199-Q201 PolarHBondContact O-N 3.18Å; E199-Q201 VanDerWaalsContact O-N 3.13Å
202	I	97.4	Very high	95	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.1	-175.6	-55.8	167	0	0	0	109.4	L193 F197 E199 R204 Q457	L193-I202 HydrophobicContact CB-CD1 3.93Å; L193-I202 HydrophobicContact CD1-CG2 4.5Å; F197-I202 HydrophobicContact CB-CD1 4.02Å; F197-I202 HydrophobicContact CB-CG1 3.75Å; E199-I202 PolarHBondContact O-N 3.14Å; E199-I202 VanDerWaalsContact O-N 3.15Å; I202-R204 HydrophobicContact CG2-CG 3.98Å; I202-Q457 PolarHBondContact O-NE2 3.17Å; I202-Q457 VanDerWaalsContact O-NE2 3.12Å
203	Y	97.9	Very high	94.8	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	93.4	-178.2	-72.8	-103	0	0	0	108.5	R172 V173 I174 V175 V452 G455 S456 Q457 F460	R172-Y203 HydrophobicContact CB-CD2 3.99Å; R172-Y203 HydrophobicContact CB-CE2 3.83Å; R172-Y203 HydrophobicContact CG-CD2 4.23Å; R172-Y203 HydrophobicContact CG-CE2 3.55Å; R172-Y203 PolarHBondContact NE-OH 2.87Å; V173-Y203 PolarHBondContact O-N 2.79Å; I174-Y203 CarbonylContact C-O 3.48Å; I174-Y203 VanDerWaalsContact CA-O 3.3Å; I174-Y203 WeakPolarHBondContact CA-O 3.46Å; V175-Y203 PolarHBondContact N-O 3.14Å; Y203-V452 HydrophobicContact CD1-CB 4.25Å; Y203-V452 HydrophobicContact CD1-CG1 4.22Å; Y203-V452 HydrophobicContact CD1-CG2 3.57Å; Y203-V452 HydrophobicContact CD2-CG1 4.37Å; Y203-V452 HydrophobicContact CE1-CB 4.38Å; Y203-V452 HydrophobicContact CE1-CG1 4.33Å; Y203-V452 HydrophobicContact CE1-CG2 4.14Å; Y203-V452 HydrophobicContact CG-CG1 4.23Å; Y203-V452 HydrophobicContact CG-CG2 4Å; Y203-G455 WeakPolarHBondContact OH-CA 3.44Å; Y203-G455 PolarHBondContact OH-O 2.9Å; Y203-S456 WeakPolarHBondContact CE1-O 2.87Å; Y203-Q457 HydrophobicContact CD1-CG 4.37Å; Y203-Q457 HydrophobicContact CE1-CG 3.67Å; Y203-Q457 HydrophobicContact CE2-CG 4.38Å; Y203-F460 AromaticContact CD1-CD1 3.8Å; Y203-F460 HydrophobicContact CD1-CD1 3.8Å; Y203-F460 AromaticContact CD1-CD2 3.65Å; Y203-F460 HydrophobicContact CD1-CD2 3.65Å; Y203-F460 AromaticContact CD1-CE1 3.81Å; Y203-F460 HydrophobicContact CD1-CE1 3.81Å; Y203-F460 AromaticContact CD1-CE2 3.66Å; Y203-F460 HydrophobicContact CD1-CE2 3.66Å; Y203-F460 AromaticContact CD1-CG 3.72Å; Y203-F460 HydrophobicContact CD1-CG 3.72Å; Y203-F460 AromaticContact CD1-CZ 3.75Å; Y203-F460 HydrophobicContact CD1-CZ 3.75Å; Y203-F460 HydrophobicContact CE1-CD2 4.18Å; Y203-F460 HydrophobicContact CE1-CE2 4.16Å; Y203-F460 HydrophobicContact CG-CD1 4.19Å; Y203-F460 HydrophobicContact CG-CE1 4.31Å; Y203-F460 HydrophobicContact CG-CG 4.39Å
204	R	97.4	Very high	94.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.5	179.5	-61.7	-175.1	-169.7	75.5	3.7	109.6	F179 E199 I202 D206 V461 S463	F179-R204 HydrophobicContact CD1-CG 4.41Å; F179-R204 HydrophobicContact CE1-CB 3.8Å; F179-R204 HydrophobicContact CE1-CG 4Å; F179-R204 HydrophobicContact CE2-CB 4.16Å; F179-R204 HydrophobicContact CZ-CB 3.6Å; F179-R204 HydrophobicContact CZ-CG 4.31Å; E199-R204 IonicContact OE1-CZ 3.01Å; E199-R204 IonicContact OE1-NH1 3.82Å; E199-R204 PolarHBondContact OE1-NH1 3.33Å; E199-R204 IonicContact OE1-NH2 3.22Å; E199-R204 IonicContact OE2-NH1 3.52Å; E199-R204 IonicContact OE2-NH2 3.43Å; I202-R204 HydrophobicContact CG2-CG 3.98Å; R204-D206 PolarHBondContact O-N 2.73Å; R204-V461 HydrophobicContact CB-CB 3.98Å; R204-V461 WeakPolarHBondContact CB-O 3.33Å; R204-V461 WeakPolarHBondContact CD-O 3.34Å; R204-V461 PolarHBondContact NH1-O 2.94Å; R204-V461 PolarHBondContact O-N 3.31Å; R204-V461 VanDerWaalsContact O-N 3.08Å; R204-S463 PolarHBondContact NH2-OG 2.82Å
205	I	95.6	Very high	94.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-75.3	119.5	-178.7	-73.9	-175.5	0	0	0	110.5	Y143 I174 V175 F179 H207 Y445 L448 F460	Y143-I205 HydrophobicContact CE2-CD1 3.86Å; Y143-I205 WeakPolarHBondContact OH-CD1 3.32Å; I174-I205 HydrophobicContact CG2-CD1 3.36Å; I174-I205 HydrophobicContact CG2-CG1 3.67Å; V175-I205 PolarHBondContact O-N 3.07Å; F179-I205 WeakPolarHBondContact CZ-O 3.32Å; I205-H207 HydrophobicContact CG2-CB 4.16Å; I205-Y445 HydrophobicContact CD1-CD1 4.42Å; I205-Y445 HydrophobicContact CD1-CE1 4.09Å; I205-Y445 HydrophobicContact CG2-CE1 4.37Å; I205-L448 HydrophobicContact CG2-CD1 4.23Å; I205-F460 HydrophobicContact CG1-CD1 4.48Å; I205-F460 HydrophobicContact CG1-CE1 4.05Å
206	D	94.4	Very high	94.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	11%	0.114	C	C	.	.			trans	-112.4	104.7	146.7	-173.1	-34.6	0	0	0	107.4	R204 Y208 L209 N268 H269 Q272 V461	R204-D206 PolarHBondContact O-N 2.73Å; D206-Y208 PolarHBondContact O-N 3.22Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.48Å; D206-Y208 PolarHBondContact OD1-N 3.08Å; D206-L209 HydrophobicContact CB-CD1 4.11Å; D206-L209 HydrophobicContact CB-CG 4.27Å; D206-L209 WeakPolarHBondContact O-CB 3.33Å; D206-L209 PolarHBondContact O-N 2.67Å; D206-N268 VanDerWaalsContact OD2-C 3.28Å; D206-N268 WeakPolarHBondContact OD2-CB 3.43Å; D206-H269 IonicContact OD1-CE1 3.64Å; D206-H269 PolarHBondContact OD1-CE1 2.84Å; D206-H269 IonicContact OD1-CG 3.88Å; D206-H269 IonicContact OD1-ND1 2.7Å; D206-H269 PolarHBondContact OD1-ND1 3.47Å; D206-H269 IonicContact OD2-CE1 3.83Å; D206-H269 PolarHBondContact OD2-N 3Å; D206-H269 IonicContact OD2-ND1 2.65Å; D206-H269 PolarHBondContact OD2-ND1 3.5Å; D206-Q272 HydrophobicContact CB-CG 4.33Å; D206-Q272 WeakPolarHBondContact OD2-CG 3.44Å; D206-V461 HydrophobicContact CB-CG2 3.85Å
207	H	92.4	Very high	94.3	Very high	23 Å²	23	22.5 Å²	22.5	11%	0.106	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.8	-174.9	75	-81.5	0	0	0	114	E3 I205 L209 G210 H269 A444 Y445 L448	E3-H207 IonicContact OE2-NE2 2.69Å; I205-H207 HydrophobicContact CG2-CB 4.16Å; H207-L209 VanDerWaalsContact C-N 3.33Å; H207-G210 PolarHBondContact O-N 2.62Å; H207-H269 AromaticContact CE1-CE1 3.54Å; H207-H269 AromaticContact CE1-NE2 3.26Å; H207-H269 PolarHBondContact CE1-NE2 3.39Å; H207-H269 VanDerWaalsContact CE1-NE2 3.26Å; H207-H269 AromaticContact ND1-CE1 3.61Å; H207-H269 AromaticContact ND1-NE2 3.8Å; H207-A444 HydrophobicContact CB-CB 4.41Å; H207-A444 WeakPolarHBondContact O-CB 3.32Å; H207-Y445 HydrophobicContact CB-CE2 4.32Å; H207-L448 HydrophobicContact CB-CD1 4.45Å
208	Y	92	Very high	94	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.7	171.8	-92	-102.1	0	0	0	112.7	D206 G210 K211 V214 F243 H269 I273 A374 Q403	D206-Y208 PolarHBondContact O-N 3.22Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.48Å; D206-Y208 PolarHBondContact OD1-N 3.08Å; Y208-G210 PolarHBondContact O-N 3.17Å; Y208-K211 HydrophobicContact CD1-CD 3.9Å; Y208-K211 HydrophobicContact CE1-CD 3.97Å; Y208-K211 HydrophobicContact CG-CD 4.35Å; Y208-K211 WeakPolarHBondContact O-CB 3.35Å; Y208-K211 PolarHBondContact O-N 2.87Å; Y208-K211 VanDerWaalsContact O-N 3.09Å; Y208-V214 WeakPolarHBondContact O-CB 3.36Å; Y208-V214 WeakPolarHBondContact O-CG2 3.37Å; Y208-F243 HydrophobicContact CE1-CD2 4.38Å; Y208-F243 HydrophobicContact CE2-CE2 4.42Å; Y208-F243 AromaticContact CZ-CD2 3.8Å; Y208-F243 AromaticContact CZ-CE2 3.83Å; Y208-F243 WeakPolarHBondContact OH-CD2 3.19Å; Y208-F243 WeakPolarHBondContact OH-CE2 3.5Å; Y208-H269 HydrophobicContact CD1-CB 4.32Å; Y208-H269 HydrophobicContact CD2-CB 3.65Å; Y208-H269 AromaticContact CD2-CD2 3.41Å; Y208-H269 VanDerWaalsContact CD2-CD2 3.41Å; Y208-H269 WeakPolarHBondContact CD2-CD2 3.44Å; Y208-H269 AromaticContact CD2-CE1 3.78Å; Y208-H269 AromaticContact CD2-CG 3.24Å; Y208-H269 AromaticContact CD2-ND1 3.5Å; Y208-H269 AromaticContact CD2-NE2 3.76Å; Y208-H269 HydrophobicContact CE2-CB 4.16Å; Y208-H269 AromaticContact CE2-CD2 3.48Å; Y208-H269 VanDerWaalsContact CE2-CD2 3.48Å; Y208-H269 WeakPolarHBondContact CE2-CD2 3.48Å; Y208-H269 AromaticContact CE2-CG 3.76Å; Y208-H269 AromaticContact CE2-NE2 3.96Å; Y208-H269 HydrophobicContact CG-CB 3.75Å; Y208-H269 AromaticContact CG-CG 3.83Å; Y208-I273 HydrophobicContact CD1-CD1 4Å; Y208-A374 HydrophobicContact CE1-CB 4.01Å; Y208-Q403 PolarHBondContact OH-NE2 2.06Å; Y208-Q403 VanDerWaalsContact OH-NE2 3.16Å
209	L	92.6	Very high	93.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.3	176.6	-65.1	174.4	0	0	0	111.6	D206 H207 K211 V214 Q215 Q272 L276 D459 V461	D206-L209 HydrophobicContact CB-CD1 4.11Å; D206-L209 HydrophobicContact CB-CG 4.27Å; D206-L209 WeakPolarHBondContact O-CB 3.33Å; D206-L209 PolarHBondContact O-N 2.67Å; H207-L209 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.2Å; L209-V214 HydrophobicContact CD2-CG1 4.4Å; L209-Q215 WeakPolarHBondContact O-CG 3.21Å; L209-Q272 HydrophobicContact CD1-CG 4.39Å; L209-Q272 HydrophobicContact CD2-CB 3.97Å; L209-Q272 HydrophobicContact CD2-CG 4.35Å; L209-Q272 HydrophobicContact CG-CB 4.42Å; L209-Q272 HydrophobicContact CG-CG 4.38Å; L209-L276 HydrophobicContact CD2-CD1 4.12Å; L209-D459 HydrophobicContact CB-CB 3.81Å; L209-D459 WeakPolarHBondContact CB-O 3.35Å; L209-D459 WeakPolarHBondContact CD1-O 3.48Å; L209-V461 HydrophobicContact CD1-CG2 4.36Å
210	G	91.7	Very high	93.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.5	174.6	0	0	0	0	0	115.3	H207 Y208 A444	H207-G210 PolarHBondContact O-N 2.62Å; Y208-G210 PolarHBondContact O-N 3.17Å; G210-A444 WeakPolarHBondContact O-CA 3.29Å
211	K	92.7	Very high	93.9	Very high	27 Å²	27	16.7 Å²	16.7	12%	0.117	8%	0.084	C	C	.	.	S	Bend	trans	-81.6	137	-178.9	-68.6	-175.8	177	-71.1	0	111.5	Y208 L209 M213 V214 Q215 V402 Q403 A444	Y208-K211 HydrophobicContact CD1-CD 3.9Å; Y208-K211 HydrophobicContact CE1-CD 3.97Å; Y208-K211 HydrophobicContact CG-CD 4.35Å; Y208-K211 WeakPolarHBondContact O-CB 3.35Å; Y208-K211 PolarHBondContact O-N 2.87Å; Y208-K211 VanDerWaalsContact O-N 3.09Å; L209-K211 PolarHBondContact O-N 3.2Å; K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.12Å; K211-V214 HydrophobicContact CB-CB 4.33Å; K211-V214 HydrophobicContact CB-CG2 4.01Å; K211-V214 WeakPolarHBondContact O-CB 3.48Å; K211-V214 PolarHBondContact O-N 2.93Å; K211-Q215 PolarHBondContact O-N 3.2Å; K211-Q215 VanDerWaalsContact O-N 3.1Å; K211-V402 HydrophobicContact CB-CG1 4.15Å; K211-V402 HydrophobicContact CD-CG1 3.63Å; K211-Q403 VanDerWaalsContact CE-OE1 3.25Å; K211-A444 HydrophobicContact CG-CB 4.31Å
212	E	92.1	Very high	93.9	Very high	49 Å²	49	18.2 Å²	18.2	23%	0.229	9%	0.09	C	C	.	.	H	α-helix	trans	-48.7	-51.5	-176.9	-171.3	65.3	-155.7	0	0	113.2	V214 Q215 N216 Y432 L441 R447	E212-V214 VanDerWaalsContact C-N 3.28Å; E212-V214 PolarHBondContact O-N 3.1Å; E212-Q215 PolarHBondContact O-N 3.34Å; E212-N216 WeakPolarHBondContact O-CB 3.07Å; E212-N216 PolarHBondContact O-N 2.52Å; E212-Y432 HydrophobicContact CG-CE1 4.2Å; E212-L441 HydrophobicContact CB-CD1 4.38Å; E212-L441 HydrophobicContact CB-CD2 4.45Å; E212-L441 HydrophobicContact CG-CD1 4.31Å; E212-L441 HydrophobicContact CG-CD2 3.81Å; E212-R447 IonicContact OE2-CZ 3.7Å; E212-R447 IonicContact OE2-NH2 3.53Å; E212-R447 PolarHBondContact OE2-NH2 3.22Å
213	M	94.2	Very high	93.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-72.8	-22.3	-176.1	-62.5	-49.4	-56.8	0	0	113.7	K211 N216 L217 I400 R401 V402 E406 V408 Y432	K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.12Å; M213-N216 HydrophobicContact CE-CB 4.46Å; M213-L217 PolarHBondContact O-N 2.98Å; M213-I400 HydrophobicContact CB-CG2 4.17Å; M213-I400 HydrophobicContact CE-CG2 3.7Å; M213-R401 WeakPolarHBondContact CG-O 3.42Å; M213-V402 HydrophobicContact CB-CB 4.2Å; M213-V402 HydrophobicContact CB-CG1 4.43Å; M213-V402 HydrophobicContact CB-CG2 3.99Å; M213-E406 HydrophobicContact CG-CB 3.67Å; M213-E406 HydrophobicContact CG-CG 3.63Å; M213-E406 HydrophobicContact SD-CB 3.85Å; M213-E406 HydrophobicContact SD-CG 4.34Å; M213-V408 HydrophobicContact CE-CG2 3.36Å; M213-Y432 HydrophobicContact CE-CE2 3.71Å; M213-Y432 HydrophobicContact SD-CD2 3.9Å; M213-Y432 HydrophobicContact SD-CE1 4.17Å; M213-Y432 HydrophobicContact SD-CE2 3.33Å; M213-Y432 WeakPolarHBondContact SD-CE2 3.36Å
214	V	94.8	Very high	93.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.2	-45.4	173.7	176.9	0	0	0	0	109.1	Y208 L209 K211 E212 N216 L217 I273 L276 V402	Y208-V214 WeakPolarHBondContact O-CB 3.36Å; Y208-V214 WeakPolarHBondContact O-CG2 3.37Å; L209-V214 HydrophobicContact CD2-CG1 4.4Å; K211-V214 HydrophobicContact CB-CB 4.33Å; K211-V214 HydrophobicContact CB-CG2 4.01Å; K211-V214 WeakPolarHBondContact O-CB 3.48Å; K211-V214 PolarHBondContact O-N 2.93Å; E212-V214 VanDerWaalsContact C-N 3.28Å; E212-V214 PolarHBondContact O-N 3.1Å; V214-N216 VanDerWaalsContact C-N 3.29Å; V214-N216 PolarHBondContact O-N 2.77Å; V214-L217 WeakPolarHBondContact O-CB 3.3Å; V214-L217 PolarHBondContact O-N 3.2Å; V214-I273 HydrophobicContact CG1-CG1 4.29Å; V214-I273 HydrophobicContact CG2-CD1 4.25Å; V214-I273 HydrophobicContact CG2-CG1 4.16Å; V214-L276 HydrophobicContact CG1-CD1 3.46Å; V214-L276 VanDerWaalsContact CG1-CD1 3.46Å; V214-V402 HydrophobicContact CG2-CG1 3.81Å; V214-V402 HydrophobicContact CG2-CG2 3.95Å
215	Q	91.4	Very high	93.5	Very high	38 Å²	38	34.3 Å²	34.3	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-37.3	172.3	-67.2	-164.5	-27.5	0	0	112.1	L209 K211 E212 L217 F218 R447 E451 D459	L209-Q215 WeakPolarHBondContact O-CG 3.21Å; K211-Q215 PolarHBondContact O-N 3.2Å; K211-Q215 VanDerWaalsContact O-N 3.1Å; E212-Q215 PolarHBondContact O-N 3.34Å; Q215-L217 PolarHBondContact O-N 2.88Å; Q215-F218 WeakPolarHBondContact O-CB 3.2Å; Q215-F218 PolarHBondContact O-N 2.81Å; Q215-R447 VanDerWaalsContact CD-CD 3.46Å; Q215-R447 VanDerWaalsContact NE2-CD 3.28Å; Q215-R447 VanDerWaalsContact OE1-CD 3.23Å; Q215-R447 VanDerWaalsContact OE1-CZ 3.23Å; Q215-E451 PolarHBondContact NE2-OE1 3.46Å; Q215-D459 VanDerWaalsContact NE2-CG 3.27Å; Q215-D459 PolarHBondContact NE2-OD2 3.36Å
216	N	94.3	Very high	93.3	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-21.5	179	-164.6	27.2	0	0	0	113.4	E212 M213 V214 F218 V219 L220 Y432	E212-N216 WeakPolarHBondContact O-CB 3.07Å; E212-N216 PolarHBondContact O-N 2.52Å; M213-N216 HydrophobicContact CE-CB 4.46Å; V214-N216 VanDerWaalsContact C-N 3.29Å; V214-N216 PolarHBondContact O-N 2.77Å; N216-F218 PolarHBondContact O-N 3.01Å; N216-V219 PolarHBondContact O-N 3.48Å; N216-L220 WeakPolarHBondContact O-CB 3.4Å; N216-L220 VanDerWaalsContact O-CG 3.27Å; N216-L220 WeakPolarHBondContact O-CG 3.38Å; N216-L220 PolarHBondContact O-N 3.4Å; N216-Y432 PolarHBondContact ND2-OH 2.87Å
217	L	93.6	Very high	93.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-40.2	174	-73.7	166.7	0	0	0	111.6	M213 V214 Q215 R221 I273 L276 V277 V376 I400	M213-L217 PolarHBondContact O-N 2.98Å; V214-L217 WeakPolarHBondContact O-CB 3.3Å; V214-L217 PolarHBondContact O-N 3.2Å; Q215-L217 PolarHBondContact O-N 2.88Å; L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 VanDerWaalsContact O-CG 3.27Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 3.26Å; L217-R221 VanDerWaalsContact O-N 3.12Å; L217-I273 HydrophobicContact CD1-CG2 3.9Å; L217-L276 HydrophobicContact CB-CB 4.39Å; L217-L276 HydrophobicContact CD1-CB 4.25Å; L217-V277 HydrophobicContact CD1-CG2 4.17Å; L217-V277 HydrophobicContact CD2-CG2 4.22Å; L217-V376 HydrophobicContact CD1-CG2 4.28Å; L217-V376 HydrophobicContact CD2-CG2 4.49Å; L217-I400 HydrophobicContact CD2-CB 4.27Å; L217-I400 HydrophobicContact CD2-CD1 3.85Å; L217-I400 HydrophobicContact CD2-CG1 3.92Å; L217-I400 HydrophobicContact CD2-CG2 4.31Å
218	F	89.9	Confident	93.1	Very high	37 Å²	37	43.9 Å²	43.9	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-48	178.5	-175.8	-92.7	0	0	0	111.5	Q215 N216 F222 M279 P282 L285 I290	Q215-F218 WeakPolarHBondContact O-CB 3.2Å; Q215-F218 PolarHBondContact O-N 2.81Å; N216-F218 PolarHBondContact O-N 3.01Å; F218-F222 AromaticContact CD2-CD2 3.78Å; F218-F222 HydrophobicContact CD2-CD2 3.78Å; F218-F222 AromaticContact CD2-CE2 3.93Å; F218-F222 HydrophobicContact CD2-CE2 3.93Å; F218-F222 HydrophobicContact CE1-CD2 4.49Å; F218-F222 AromaticContact CE2-CD2 3.62Å; F218-F222 HydrophobicContact CE2-CD2 3.62Å; F218-F222 AromaticContact CE2-CE2 3.85Å; F218-F222 HydrophobicContact CE2-CE2 3.85Å; F218-F222 HydrophobicContact CG-CD2 4.29Å; F218-F222 HydrophobicContact CZ-CD2 4.01Å; F218-F222 WeakPolarHBondContact O-CD2 3.2Å; F218-F222 PolarHBondContact O-N 3.4Å; F218-F222 VanDerWaalsContact O-N 3.09Å; F218-M279 HydrophobicContact CD2-SD 4.47Å; F218-P282 HydrophobicContact CE2-CG 3.68Å; F218-P282 HydrophobicContact CZ-CG 3.85Å; F218-L285 HydrophobicContact CE1-CD2 3.33Å; F218-L285 HydrophobicContact CZ-CD2 3.51Å; F218-I290 HydrophobicContact CE2-CD1 4.42Å; F218-I290 HydrophobicContact CE2-CG1 4.33Å
219	V	93.3	Very high	93.3	Very high	84 Å²	84	47.8 Å²	47.8	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-42.8	-179.5	-178.6	0	0	0	0	111.3	N216 R221 G223 N224	N216-V219 PolarHBondContact O-N 3.48Å; V219-R221 PolarHBondContact O-N 3.2Å; V219-G223 VanDerWaalsContact O-CA 3.25Å; V219-G223 WeakPolarHBondContact O-CA 3.4Å; V219-G223 PolarHBondContact O-N 2.9Å; V219-N224 PolarHBondContact O-ND2 3.2Å
220	L	94.2	Very high	93.4	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-50.1	176.8	-76.6	170	0	0	0	110.8	N216 N224 F227 I400 V408	N216-L220 WeakPolarHBondContact O-CB 3.4Å; N216-L220 VanDerWaalsContact O-CG 3.27Å; N216-L220 WeakPolarHBondContact O-CG 3.38Å; N216-L220 PolarHBondContact O-N 3.4Å; L220-N224 WeakPolarHBondContact CA-ND2 3.15Å; L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-ND2 3.3Å; L220-F227 HydrophobicContact CD2-CE2 4.42Å; L220-F227 WeakPolarHBondContact O-CD2 3.42Å; L220-I400 HydrophobicContact CD1-CG1 3.99Å; L220-V408 HydrophobicContact CD1-CG1 4.29Å; L220-V408 HydrophobicContact CD1-CG2 3.95Å
221	R	94.9	Very high	93.7	Very high	9 Å²	9	49.1 Å²	49.1	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-46.7	-175.8	-69.7	-179.7	67.9	-142.5	-5.7	113.3	L217 V219 W231 L276 V277 M279	L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 VanDerWaalsContact O-CG 3.27Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 3.26Å; L217-R221 VanDerWaalsContact O-N 3.12Å; V219-R221 PolarHBondContact O-N 3.2Å; R221-W231 HydrophobicContact CG-CD2 4.26Å; R221-W231 HydrophobicContact CG-CH2 4.11Å; R221-W231 HydrophobicContact CG-CZ2 3.79Å; R221-W231 HydrophobicContact CG-CZ3 4.49Å; R221-L276 WeakPolarHBondContact CD-O 3.42Å; R221-L276 PolarHBondContact NH1-O 3.23Å; R221-V277 PolarHBondContact NE-O 3.02Å; R221-V277 PolarHBondContact NH1-O 2.91Å; R221-V277 PolarHBondContact NH2-O 2.7Å; R221-M279 VanDerWaalsContact CZ-O 3.24Å; R221-M279 PolarHBondContact NH1-O 3.37Å; R221-M279 PolarHBondContact NH2-O 3.36Å
222	F	94.7	Very high	93.9	Very high	50 Å²	50	49.1 Å²	49.1	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-102.1	-14.8	-168.8	-57.4	-53	0	0	0	114.3	F218 M279 E280 K281	F218-F222 AromaticContact CD2-CD2 3.78Å; F218-F222 HydrophobicContact CD2-CD2 3.78Å; F218-F222 AromaticContact CD2-CE2 3.93Å; F218-F222 HydrophobicContact CD2-CE2 3.93Å; F218-F222 HydrophobicContact CE1-CD2 4.49Å; F218-F222 AromaticContact CE2-CD2 3.62Å; F218-F222 HydrophobicContact CE2-CD2 3.62Å; F218-F222 AromaticContact CE2-CE2 3.85Å; F218-F222 HydrophobicContact CE2-CE2 3.85Å; F218-F222 HydrophobicContact CG-CD2 4.29Å; F218-F222 HydrophobicContact CZ-CD2 4.01Å; F218-F222 WeakPolarHBondContact O-CD2 3.2Å; F218-F222 PolarHBondContact O-N 3.4Å; F218-F222 VanDerWaalsContact O-N 3.09Å; F222-M279 HydrophobicContact CE2-CG 4.35Å; F222-M279 HydrophobicContact CZ-CG 4.35Å; F222-E280 WeakPolarHBondContact CZ-O 3.34Å; F222-K281 HydrophobicContact CD1-CB 3.74Å; F222-K281 HydrophobicContact CD1-CD 4.27Å; F222-K281 HydrophobicContact CD1-CG 3.77Å; F222-K281 VanDerWaalsContact CE1-CA 3.42Å; F222-K281 HydrophobicContact CE1-CB 3.56Å; F222-K281 HydrophobicContact CE1-CG 4.09Å; F222-K281 HydrophobicContact CG-CG 4.15Å; F222-K281 HydrophobicContact CZ-CB 4.18Å
223	G	94.7	Very high	94.2	Very high	58 Å²	58	51.3 Å²	51.3	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-86.3	-15.3	173.2	0	0	0	0	0	114.1	V219	V219-G223 VanDerWaalsContact O-CA 3.25Å; V219-G223 WeakPolarHBondContact O-CA 3.4Å; V219-G223 PolarHBondContact O-N 2.9Å
224	N	95.6	Very high	94.4	Very high	61 Å²	61	56.9 Å²	56.9	33%	0.326	30%	0.299	S	S	.	.			trans	-120.9	116.5	-172.1	-60.4	-78.8	0	0	0	112.7	V219 L220 M226 F227	V219-N224 PolarHBondContact O-ND2 3.2Å; L220-N224 WeakPolarHBondContact CA-ND2 3.15Å; L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-ND2 3.3Å; N224-M226 HydrophobicContact CB-CG 4.14Å; N224-M226 PolarHBondContact O-N 3.1Å; N224-F227 HydrophobicContact CB-CD2 3.85Å; N224-F227 HydrophobicContact CB-CE2 4.37Å; N224-F227 PolarHBondContact O-N 2.82Å
225	R	94.4	Very high	94.5	Very high	227 Å²	227	60.8 Å²	60.8	86%	0.857	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	177.9	-170.4	174	178.8	94.3	0.3	113.3	F227 P229	R225-F227 VanDerWaalsContact C-N 3.3Å; R225-F227 PolarHBondContact O-N 2.94Å; R225-P229 WeakPolarHBondContact O-CD 3.09Å
226	M	92.6	Very high	94.9	Very high	133 Å²	133	59 Å²	59	66%	0.655	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.4	179.8	65.1	-177.4	-76.6	0	0	113.6	N224	N224-M226 HydrophobicContact CB-CG 4.14Å; N224-M226 PolarHBondContact O-N 3.1Å
227	F	93	Very high	95.1	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.079	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-28.5	-178.6	-64.6	-52.6	0	0	0	112.7	L220 N224 R225 S230 W231 L398	L220-F227 HydrophobicContact CD2-CE2 4.42Å; L220-F227 WeakPolarHBondContact O-CD2 3.42Å; N224-F227 HydrophobicContact CB-CD2 3.85Å; N224-F227 HydrophobicContact CB-CE2 4.37Å; N224-F227 PolarHBondContact O-N 2.82Å; R225-F227 VanDerWaalsContact C-N 3.3Å; R225-F227 PolarHBondContact O-N 2.94Å; F227-S230 PolarHBondContact O-N 3.46Å; F227-S230 VanDerWaalsContact O-N 3.14Å; F227-S230 PolarHBondContact O-OG 2.8Å; F227-W231 HydrophobicContact CB-CE3 4.08Å; F227-W231 HydrophobicContact CB-CZ3 4.44Å; F227-W231 HydrophobicContact CD1-CZ3 4.42Å; F227-W231 HydrophobicContact CG-CZ3 4.46Å; F227-W231 WeakPolarHBondContact O-CB 3.45Å; F227-W231 PolarHBondContact O-N 2.82Å; F227-L398 HydrophobicContact CD1-CD2 4.4Å; F227-L398 HydrophobicContact CE1-CD1 4.37Å; F227-L398 HydrophobicContact CE1-CD2 3.95Å; F227-L398 HydrophobicContact CZ-CD1 4.22Å; F227-L398 HydrophobicContact CZ-CD2 4.17Å
228	S	88.9	Confident	95.3	Very high	77 Å²	77	58.3 Å²	58.3	54%	0.538	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-44.2	-172.8	175.8	0	0	0	0	114.8
229	P	95	Very high	95.7	Very high	82 Å²	82	56.5 Å²	56.5	53%	0.532	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.9	178.5	-19	32.5	0	0	0	114.2	R225 N232 H235	R225-P229 WeakPolarHBondContact O-CD 3.09Å; P229-N232 PolarHBondContact O-ND2 3.43Å; P229-H235 PolarHBondContact O-CE1 2.59Å; P229-H235 PolarHBondContact O-ND1 3.46Å
230	S	95.7	Very high	96	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-1.9	-175.7	59	0	0	0	0	113.3	F227 N232 H235	F227-S230 PolarHBondContact O-N 3.46Å; F227-S230 VanDerWaalsContact O-N 3.14Å; F227-S230 PolarHBondContact O-OG 2.8Å; S230-N232 VanDerWaalsContact C-N 3.28Å; S230-N232 PolarHBondContact O-N 3.43Å; S230-N232 VanDerWaalsContact O-N 3.08Å; S230-H235 WeakPolarHBondContact O-CB 3.46Å
231	W	97.7	Very high	96.2	Very high	9 Å²	9	51.7 Å²	51.7	3%	0.034	27%	0.27	C	S	.	.	S	Bend	trans	-87.5	57.4	-178.7	-147.6	-85.7	0	0	0	113.2	R221 F227 I236 V277 R355 W356 V378 L398	R221-W231 HydrophobicContact CG-CD2 4.26Å; R221-W231 HydrophobicContact CG-CH2 4.11Å; R221-W231 HydrophobicContact CG-CZ2 3.79Å; R221-W231 HydrophobicContact CG-CZ3 4.49Å; F227-W231 HydrophobicContact CB-CE3 4.08Å; F227-W231 HydrophobicContact CB-CZ3 4.44Å; F227-W231 HydrophobicContact CD1-CZ3 4.42Å; F227-W231 HydrophobicContact CG-CZ3 4.46Å; F227-W231 WeakPolarHBondContact O-CB 3.45Å; F227-W231 PolarHBondContact O-N 2.82Å; W231-I236 HydrophobicContact CD2-CD1 4.31Å; W231-I236 HydrophobicContact CG-CD1 4.33Å; W231-V277 HydrophobicContact CZ2-CG1 4.13Å; W231-V277 PolarHBondContact NE1-O 2.97Å; W231-R355 WeakPolarHBondContact O-CD 3.29Å; W231-R355 PolarHBondContact O-NH1 3.14Å; W231-W356 AromaticContact CD1-CH2 3.64Å; W231-W356 AromaticContact CD1-CZ2 3.56Å; W231-W356 AromaticContact NE1-CH2 3.58Å; W231-W356 AromaticContact NE1-CZ2 3.59Å; W231-V378 HydrophobicContact CH2-CG2 3.96Å; W231-V378 HydrophobicContact CZ2-CG2 4.15Å; W231-L398 HydrophobicContact CH2-CD2 3.78Å; W231-L398 HydrophobicContact CZ3-CD2 3.56Å
232	N	98.1	Very high	96.4	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.144	27%	0.272	C	S	.	.	S	Bend	trans	-157.3	172.8	-178	54.8	46.6	0	0	0	111.6	P229 S230 D234 H235 I236 R355	P229-N232 PolarHBondContact O-ND2 3.43Å; S230-N232 VanDerWaalsContact C-N 3.28Å; S230-N232 PolarHBondContact O-N 3.43Å; S230-N232 VanDerWaalsContact O-N 3.08Å; N232-D234 PolarHBondContact O-N 3.28Å; N232-D234 VanDerWaalsContact O-N 3.14Å; N232-D234 WeakPolarHBondContact OD1-CB 3.23Å; N232-D234 PolarHBondContact OD1-N 3.15Å; N232-H235 PolarHBondContact O-N 3.4Å; N232-H235 VanDerWaalsContact O-N 3.11Å; N232-H235 PolarHBondContact OD1-ND1 2.84Å; N232-I236 WeakPolarHBondContact O-CB 3.16Å; N232-I236 PolarHBondContact O-N 3.13Å; N232-R355 HydrophobicContact CB-CG 4.04Å
233	R	98	Very high	96.5	Very high	94 Å²	94	49.4 Å²	49.4	36%	0.355	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.1	179.2	66.8	-176	-60.9	-149.1	5.7	115.7	H235 E354 R355 E357 V359 R381	R233-H235 VanDerWaalsContact C-N 3.27Å; R233-H235 PolarHBondContact O-N 3.45Å; R233-E354 WeakPolarHBondContact CD-O 3.49Å; R233-R355 WeakPolarHBondContact CB-O 3.29Å; R233-R355 PolarHBondContact N-O 3.13Å; R233-E357 VanDerWaalsContact CZ-CB 3.49Å; R233-E357 VanDerWaalsContact CZ-O 3.25Å; R233-E357 PolarHBondContact NE-O 3.12Å; R233-E357 PolarHBondContact NH2-O 3.47Å; R233-E357 VanDerWaalsContact NH2-O 3.09Å; R233-V359 HydrophobicContact CB-CG2 3.6Å; R233-R381 VanDerWaalsContact O-CZ 3.28Å; R233-R381 PolarHBondContact O-NE 2.97Å; R233-R381 PolarHBondContact O-NH2 2.93Å
234	D	97.7	Very high	96.7	Very high	118 Å²	118	47.2 Å²	47.2	63%	0.631	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-23.3	-179.8	-58.9	-34.3	0	0	0	111.8	N232 R381	N232-D234 PolarHBondContact O-N 3.28Å; N232-D234 VanDerWaalsContact O-N 3.14Å; N232-D234 WeakPolarHBondContact OD1-CB 3.23Å; N232-D234 PolarHBondContact OD1-N 3.15Å; D234-R381 WeakPolarHBondContact O-CD 3.3Å
235	H	97.9	Very high	96.7	Very high	83 Å²	83	44.9 Å²	44.9	38%	0.384	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-29.4	-176.3	-57.6	84	0	0	0	112.6	P229 S230 N232 R233 F380 R381	P229-H235 PolarHBondContact O-CE1 2.59Å; P229-H235 PolarHBondContact O-ND1 3.46Å; S230-H235 WeakPolarHBondContact O-CB 3.46Å; N232-H235 PolarHBondContact O-N 3.4Å; N232-H235 VanDerWaalsContact O-N 3.11Å; N232-H235 PolarHBondContact OD1-ND1 2.84Å; R233-H235 VanDerWaalsContact C-N 3.27Å; R233-H235 PolarHBondContact O-N 3.45Å; H235-F380 HydrophobicContact CB-CD1 4.25Å; H235-F380 CarbonylContact O-C 3.44Å; H235-F380 WeakPolarHBondContact O-CA 3.42Å; H235-F380 WeakPolarHBondContact O-CB 3.43Å; H235-F380 WeakPolarHBondContact O-CD1 3.34Å; H235-R381 PolarHBondContact O-N 3.43Å
236	I	98.5	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.4	-179.4	-62.4	173.4	0	0	0	109.4	W231 N232 V239 W356 V359 V378 F380	W231-I236 HydrophobicContact CD2-CD1 4.31Å; W231-I236 HydrophobicContact CG-CD1 4.33Å; N232-I236 WeakPolarHBondContact O-CB 3.16Å; N232-I236 PolarHBondContact O-N 3.13Å; I236-V239 HydrophobicContact CG2-CG2 4Å; I236-W356 HydrophobicContact CB-CZ3 4.35Å; I236-W356 HydrophobicContact CD1-CH2 3.68Å; I236-W356 HydrophobicContact CD1-CZ3 3.7Å; I236-W356 HydrophobicContact CG2-CZ3 4.21Å; I236-V359 HydrophobicContact CG2-CG1 3.98Å; I236-V378 HydrophobicContact CB-CG1 4.36Å; I236-V378 HydrophobicContact CD1-CG1 3.58Å; I236-V378 HydrophobicContact CG1-CG1 3.66Å; I236-V378 HydrophobicContact CG2-CG1 3.81Å; I236-F380 HydrophobicContact CG1-CD1 4.45Å; I236-F380 HydrophobicContact CG1-CE1 4.29Å
237	A	98.5	Very high	96.7	Very high	10 Å²	10	38.2 Å²	38.2	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-39.3	175.6	0	0	0	0	0	112.1	P360 Q379 R381 R395	A237-P360 WeakPolarHBondContact O-CD 3.42Å; A237-Q379 PolarHBondContact N-O 3.36Å; A237-R381 HydrophobicContact CB-CG 3.92Å; A237-R395 VanDerWaalsContact CB-NH1 3.35Å
238	S	98.6	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.6	177.6	57.7	0	0	0	0	112.1	Q379	S238-Q379 PolarHBondContact N-O 2.77Å; S238-Q379 PolarHBondContact O-N 3.36Å
239	V	98.7	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.7	171.6	179	0	0	0	0	108.8	I236 I241 V277 W356 P360 F361 F362 V376 R377 V378	I236-V239 HydrophobicContact CG2-CG2 4Å; V239-I241 HydrophobicContact CG1-CG1 4.21Å; V239-V277 HydrophobicContact CG1-CG1 4.02Å; V239-V277 HydrophobicContact CG2-CG1 4.48Å; V239-W356 HydrophobicContact CG2-CZ3 4.21Å; V239-P360 PolarHBondContact N-O 2.76Å; V239-F361 HydrophobicContact CB-CD1 3.66Å; V239-F361 HydrophobicContact CB-CE1 3.68Å; V239-F361 HydrophobicContact CB-CG 4.13Å; V239-F361 HydrophobicContact CB-CZ 4.15Å; V239-F361 HydrophobicContact CG1-CD1 3.75Å; V239-F361 HydrophobicContact CG1-CE1 3.74Å; V239-F361 HydrophobicContact CG2-CD1 4.23Å; V239-F361 HydrophobicContact CG2-CE1 3.75Å; V239-F361 HydrophobicContact CG2-CE2 4.32Å; V239-F361 HydrophobicContact CG2-CZ 3.79Å; V239-F361 CarbonylContact O-C 3.49Å; V239-F361 WeakPolarHBondContact O-CA 3.17Å; V239-F362 PolarHBondContact O-N 3.03Å; V239-V376 HydrophobicContact CG1-CG1 4.49Å; V239-R377 CarbonylContact C-O 3.6Å; V239-R377 WeakPolarHBondContact CA-O 3.26Å; V239-V378 HydrophobicContact CG2-CG2 4.44Å
240	T	98.6	Very high	96.5	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.4	174.6	-61.1	0	0	0	0	109.5	F362 V376 R377 M504	T240-F362 CarbonylContact C-O 3.55Å; T240-F362 WeakPolarHBondContact CA-O 3.42Å; T240-F362 HydrophobicContact CG2-CB 4.3Å; T240-V376 CarbonylContact O-C 3.58Å; T240-R377 PolarHBondContact N-O 3.46Å; T240-R377 PolarHBondContact O-N 3.26Å; T240-M504 HydrophobicContact CG2-CE 3.81Å; T240-M504 WeakPolarHBondContact OG1-CE 3.4Å
241	I	98.6	Very high	96.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	173.7	-47.3	179.1	0	0	0	106.9	V239 L270 I273 L274 F362 L363 R364 E375 V376	V239-I241 HydrophobicContact CG1-CG1 4.21Å; I241-L270 HydrophobicContact CG2-CB 4.46Å; I241-L270 HydrophobicContact CG2-CD2 3.89Å; I241-I273 HydrophobicContact CD1-CB 4.42Å; I241-I273 HydrophobicContact CD1-CG2 4.1Å; I241-I273 HydrophobicContact CG2-CB 4.07Å; I241-I273 HydrophobicContact CG2-CD1 4.31Å; I241-I273 HydrophobicContact CG2-CG2 3.78Å; I241-L274 VanDerWaalsContact CD1-CA 3.41Å; I241-L274 HydrophobicContact CD1-CB 3.61Å; I241-L274 HydrophobicContact CD1-CG 4.37Å; I241-F362 PolarHBondContact N-O 3.46Å; I241-L363 HydrophobicContact CB-CD2 3.99Å; I241-L363 HydrophobicContact CD1-CD2 3.81Å; I241-L363 HydrophobicContact CG1-CD2 4.16Å; I241-R364 PolarHBondContact O-N 2.98Å; I241-E375 WeakPolarHBondContact CA-O 3.21Å; I241-V376 HydrophobicContact CG2-CG2 4.36Å
242	S	98.1	Very high	95.6	Very high	10 Å²	10	42.5 Å²	42.5	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.2	-173.4	-69.6	0	0	0	0	111.6	R364 A374 E375	S242-R364 CarbonylContact C-O 3.28Å; S242-R364 VanDerWaalsContact CA-O 3.23Å; S242-R364 WeakPolarHBondContact CA-O 3.32Å; S242-A374 CarbonylContact O-C 3.57Å; S242-A374 WeakPolarHBondContact O-CA 3.46Å; S242-E375 PolarHBondContact N-O 3.21Å; S242-E375 PolarHBondContact O-N 2.59Å
243	F	98.3	Very high	95.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.4	165.9	171.3	-89.2	0	0	0	110	E3 Y208 E245 V265 L270 R364 C365 G366 K373 A374	E3-F243 WeakPolarHBondContact OE1-CZ 3.19Å; Y208-F243 HydrophobicContact CE1-CD2 4.38Å; Y208-F243 HydrophobicContact CE2-CE2 4.42Å; Y208-F243 AromaticContact CZ-CD2 3.8Å; Y208-F243 AromaticContact CZ-CE2 3.83Å; Y208-F243 WeakPolarHBondContact OH-CD2 3.19Å; Y208-F243 WeakPolarHBondContact OH-CE2 3.5Å; F243-E245 HydrophobicContact CE1-CG 3.53Å; F243-E245 WeakPolarHBondContact CE1-OE2 3.36Å; F243-E245 HydrophobicContact CE2-CG 4.21Å; F243-E245 HydrophobicContact CZ-CG 3.37Å; F243-V265 HydrophobicContact CB-CG1 3.9Å; F243-V265 HydrophobicContact CD1-CB 4.36Å; F243-V265 HydrophobicContact CD1-CG1 3.5Å; F243-V265 VanDerWaalsContact CD1-CG1 3.5Å; F243-V265 HydrophobicContact CD1-CG2 4.07Å; F243-V265 HydrophobicContact CD2-CG1 4.42Å; F243-V265 HydrophobicContact CE1-CG1 4.01Å; F243-V265 HydrophobicContact CE1-CG2 3.77Å; F243-V265 HydrophobicContact CG-CG1 3.67Å; F243-V265 HydrophobicContact CZ-CG2 4.4Å; F243-L270 HydrophobicContact CB-CD2 3.77Å; F243-R364 PolarHBondContact N-O 3Å; F243-C365 HydrophobicContact CB-CB 4.21Å; F243-C365 HydrophobicContact CD1-CB 4.22Å; F243-C365 CarbonylContact O-C 3.54Å; F243-C365 WeakPolarHBondContact O-CA 3.13Å; F243-G366 PolarHBondContact O-N 3.45Å; F243-G366 VanDerWaalsContact O-N 3.08Å; F243-K373 CarbonylContact C-O 3.54Å; F243-K373 WeakPolarHBondContact CA-O 3.32Å; F243-A374 HydrophobicContact CD2-CB 4.3Å
244	K	98	Very high	94.7	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.6	-175.5	-57.7	172.8	61	178.8	0	108.7	L369 N370 E371 Q372 K373	K244-L369 HydrophobicContact CB-CB 4.43Å; K244-L369 HydrophobicContact CB-CD1 3.88Å; K244-L369 HydrophobicContact CG-CD1 3.76Å; K244-N370 VanDerWaalsContact CE-OD1 3.23Å; K244-N370 WeakPolarHBondContact CE-OD1 3.41Å; K244-N370 PolarHBondContact NZ-OD1 2.94Å; K244-E371 CarbonylContact C-O 3.43Å; K244-E371 VanDerWaalsContact CB-O 3.29Å; K244-E371 WeakPolarHBondContact CB-O 3.4Å; K244-E371 HydrophobicContact CD-CG 4.32Å; K244-E371 IonicContact NZ-OE1 3.93Å; K244-E371 PolarHBondContact NZ-OE1 3.39Å; K244-Q372 CarbonylContact O-C 3.53Å; K244-Q372 VanDerWaalsContact O-CA 3.24Å; K244-Q372 WeakPolarHBondContact O-CA 3.43Å; K244-K373 PolarHBondContact N-O 2.84Å; K244-K373 PolarHBondContact O-N 3.08Å
245	E	95.8	Very high	94.1	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.051	18%	0.179	C	C	.	.			trans	-120.4	140.7	171.2	-71.3	179.5	114.6	0	0	110.4	F243 G366 K367 A368 L369	F243-E245 HydrophobicContact CE1-CG 3.53Å; F243-E245 WeakPolarHBondContact CE1-OE2 3.36Å; F243-E245 HydrophobicContact CE2-CG 4.21Å; F243-E245 HydrophobicContact CZ-CG 3.37Å; E245-G366 PolarHBondContact N-O 3.09Å; E245-K367 WeakPolarHBondContact OE2-CG 3.33Å; E245-K367 IonicContact OE2-NZ 2.95Å; E245-K367 PolarHBondContact OE2-NZ 3.23Å; E245-A368 PolarHBondContact O-N 2.8Å; E245-A368 VanDerWaalsContact O-N 3.16Å; E245-L369 PolarHBondContact O-N 2.82Å
246	R	94.7	Very high	93.9	Very high	142 Å²	142	33 Å²	33	54%	0.536	16%	0.163	S	C	.	.	S	Bend	trans	-75.6	-29.4	170	-79.8	-175.5	155.9	177.8	-2.8	113	N370 F492	R246-N370 PolarHBondContact NE-O 3.05Å; R246-N370 PolarHBondContact NH2-O 2.99Å; R246-F492 VanDerWaalsContact O-CE1 3.26Å; R246-F492 WeakPolarHBondContact O-CE1 3.17Å; R246-F492 VanDerWaalsContact O-CZ 3.31Å; R246-F492 WeakPolarHBondContact O-CZ 3.34Å
247	L	92.7	Very high	93.7	Very high	78 Å²	78	34.7 Å²	34.7	41%	0.408	17%	0.173	S	C	.	.			trans	-74.7	144.8	-176	-62.9	171.6	0	0	0	110.2	D4 A368	D4-L247 HydrophobicContact CB-CD1 4.29Å; L247-A368 PolarHBondContact O-N 3.32Å
248	G	92.4	Very high	93.2	Very high	14 Å²	14	40.7 Å²	40.7	14%	0.144	20%	0.199	C	C	.	.			trans	-81.2	-159.2	168.3	0	0	0	0	0	111
249	T	92.9	Very high	92.9	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.049	21%	0.205	C	C	.	.			trans	-109.8	9	174.8	58.3	0	0	0	0	113.1	G251 R252 G253 F256 Y314 Y329 K367	T249-G251 PolarHBondContact O-N 3.36Å; T249-R252 CarbonylContact O-C 3.55Å; T249-R252 VanDerWaalsContact O-C 3.28Å; T249-R252 WeakPolarHBondContact O-CA 3.37Å; T249-R252 PolarHBondContact O-N 3.02Å; T249-G253 PolarHBondContact O-N 2.94Å; T249-F256 HydrophobicContact CG2-CB 4.16Å; T249-F256 HydrophobicContact CG2-CD1 3.82Å; T249-F256 HydrophobicContact CG2-CD2 4.2Å; T249-F256 HydrophobicContact CG2-CE1 4.24Å; T249-F256 HydrophobicContact CG2-CG 3.78Å; T249-Y314 PolarHBondContact N-OH 3.08Å; T249-Y314 PolarHBondContact OG1-OH 3.01Å; T249-Y329 HydrophobicContact CG2-CE2 4.22Å; T249-Y329 WeakPolarHBondContact OG1-CD2 3.43Å; T249-Y329 WeakPolarHBondContact OG1-CE2 3.34Å; T249-K367 HydrophobicContact CG2-CD 3.43Å; T249-K367 VanDerWaalsContact CG2-CD 3.43Å
250	Y	88.1	Confident	92.7	Very high	111 Å²	111	42.5 Å²	42.5	44%	0.435	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	130.1	-169.7	-168.3	-96	0	0	0	112	R252 L327 D332	Y250-R252 PolarHBondContact O-N 3.28Å; Y250-L327 HydrophobicContact CD2-CD1 3.68Å; Y250-L327 HydrophobicContact CE1-CD1 4.42Å; Y250-L327 HydrophobicContact CE2-CD1 3.47Å; Y250-L327 VanDerWaalsContact CE2-CD1 3.47Å; Y250-L327 HydrophobicContact CG-CD1 4.26Å; Y250-D332 WeakPolarHBondContact CA-OD2 3.37Å; Y250-D332 HydrophobicContact CD2-CB 4Å; Y250-D332 HydrophobicContact CE2-CB 4.33Å
251	G	87.6	Confident	92.6	Very high	46 Å²	46	42.2 Å²	42.2	47%	0.474	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-7.5	-176.1	0	0	0	0	0	114.5	T249 D332	T249-G251 PolarHBondContact O-N 3.36Å; G251-D332 PolarHBondContact N-OD2 3.18Å
252	R	86.2	Confident	92.6	Very high	119 Å²	119	42.3 Å²	42.3	45%	0.449	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	8.6	171.3	-61.9	-175.5	-176.4	169.8	9.1	111.8	V2 D4 T249 Y250 G254 Y255 F256	V2-R252 PolarHBondContact O-NH1 3.41Å; D4-R252 IonicContact OD2-CZ 3.73Å; D4-R252 IonicContact OD2-NH1 3.73Å; D4-R252 IonicContact OD2-NH2 3.09Å; D4-R252 PolarHBondContact OD2-NH2 3.09Å; D4-R252 VanDerWaalsContact OD2-NH2 3.09Å; T249-R252 CarbonylContact O-C 3.55Å; T249-R252 VanDerWaalsContact O-C 3.28Å; T249-R252 WeakPolarHBondContact O-CA 3.37Å; T249-R252 PolarHBondContact O-N 3.02Å; Y250-R252 PolarHBondContact O-N 3.28Å; R252-G254 VanDerWaalsContact C-N 3.32Å; R252-G254 PolarHBondContact O-N 3.22Å; R252-Y255 PolarHBondContact O-N 2.7Å; R252-F256 PolarHBondContact O-N 2.83Å
253	G	86.5	Confident	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-40.8	-172.4	0	0	0	0	0	112.7	T249 Y255 F256 D257 D332 V335	T249-G253 PolarHBondContact O-N 2.94Å; G253-Y255 PolarHBondContact O-N 2.93Å; G253-F256 CarbonylContact O-C 3.52Å; G253-F256 PolarHBondContact O-N 3.3Å; G253-F256 VanDerWaalsContact O-N 3.14Å; G253-D257 WeakPolarHBondContact O-CB 3.11Å; G253-D257 PolarHBondContact O-N 2.84Å; G253-D332 WeakPolarHBondContact CA-OD2 3.31Å; G253-D332 PolarHBondContact N-OD2 2.65Å; G253-V335 VanDerWaalsContact C-CG2 3.49Å; G253-V335 VanDerWaalsContact CA-CG2 3.5Å
254	G	89.4	Confident	92.3	Very high	22 Å²	22	43.2 Å²	43.2	23%	0.227	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-39.3	-179.4	0	0	0	0	0	114.3	R252 L334	R252-G254 VanDerWaalsContact C-N 3.32Å; R252-G254 PolarHBondContact O-N 3.22Å; G254-L334 WeakPolarHBondContact CA-O 3.45Å
255	Y	86.2	Confident	92.2	Very high	88 Å²	88	42.7 Å²	42.7	35%	0.345	21%	0.205	S	C	.	.	H	α-helix	trans	-70.3	-42.5	173.6	178.4	-87.9	0	0	0	111	M1 R252 G253 D257 E258 Y259	M1-Y255 HydrophobicContact CE-CE1 4.47Å; M1-Y255 HydrophobicContact CG-CD1 4.14Å; M1-Y255 HydrophobicContact CG-CE1 3.29Å; M1-Y255 HydrophobicContact SD-CE1 3.74Å; R252-Y255 PolarHBondContact O-N 2.7Å; G253-Y255 PolarHBondContact O-N 2.93Å; Y255-D257 VanDerWaalsContact C-N 3.26Å; Y255-D257 PolarHBondContact O-N 2.95Å; Y255-E258 PolarHBondContact O-N 3.01Å; Y255-Y259 HydrophobicContact CD2-CE2 4.34Å; Y255-Y259 HydrophobicContact CE1-CD2 4.07Å; Y255-Y259 HydrophobicContact CE1-CE2 4.09Å; Y255-Y259 HydrophobicContact CE2-CD2 4.49Å; Y255-Y259 AromaticContact CE2-CE2 3.76Å; Y255-Y259 HydrophobicContact CE2-CE2 3.76Å; Y255-Y259 AromaticContact CZ-CE2 3.63Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.23Å
256	F	93	Very high	92.3	Very high	13 Å²	13	42.2 Å²	42.2	6%	0.057	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-32.6	178.6	-174.2	-93.9	0	0	0	112.3	T249 R252 G253 E258 Y259 G260 I261 D264 Y329 T341 T343 K367	T249-F256 HydrophobicContact CG2-CB 4.16Å; T249-F256 HydrophobicContact CG2-CD1 3.82Å; T249-F256 HydrophobicContact CG2-CD2 4.2Å; T249-F256 HydrophobicContact CG2-CE1 4.24Å; T249-F256 HydrophobicContact CG2-CG 3.78Å; R252-F256 PolarHBondContact O-N 2.83Å; G253-F256 CarbonylContact O-C 3.52Å; G253-F256 PolarHBondContact O-N 3.3Å; G253-F256 VanDerWaalsContact O-N 3.14Å; F256-E258 PolarHBondContact O-N 3.17Å; F256-Y259 PolarHBondContact O-N 3.41Å; F256-Y259 VanDerWaalsContact O-N 3.12Å; F256-G260 PolarHBondContact O-N 3.38Å; F256-I261 HydrophobicContact CE2-CD1 4.26Å; F256-I261 HydrophobicContact CZ-CB 3.95Å; F256-I261 HydrophobicContact CZ-CD1 4.06Å; F256-D264 HydrophobicContact CE2-CB 4Å; F256-D264 WeakPolarHBondContact CE2-OD2 3.18Å; F256-Y329 AromaticContact CD1-CE2 3.91Å; F256-Y329 HydrophobicContact CD1-CE2 3.91Å; F256-Y329 HydrophobicContact CE1-CE2 4.47Å; F256-T341 HydrophobicContact CD1-CG2 4.33Å; F256-T341 HydrophobicContact CE1-CG2 4.21Å; F256-T343 HydrophobicContact CE1-CG2 4.01Å; F256-K367 HydrophobicContact CD2-CD 4.47Å; F256-K367 HydrophobicContact CE2-CD 4Å; F256-K367 HydrophobicContact CZ-CD 4.19Å
257	D	94.1	Very high	92.4	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.193	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-28	-178.7	-154.7	40.5	0	0	0	112.8	G253 Y255 Y329 S339 T341	G253-D257 WeakPolarHBondContact O-CB 3.11Å; G253-D257 PolarHBondContact O-N 2.84Å; Y255-D257 VanDerWaalsContact C-N 3.26Å; Y255-D257 PolarHBondContact O-N 2.95Å; D257-Y329 VanDerWaalsContact CA-OH 3.29Å; D257-Y329 WeakPolarHBondContact CA-OH 3.29Å; D257-Y329 WeakPolarHBondContact CB-OH 3.16Å; D257-Y329 PolarHBondContact N-OH 3.46Å; D257-Y329 PolarHBondContact OD1-OH 3.41Å; D257-Y329 VanDerWaalsContact OD1-OH 3.04Å; D257-S339 WeakPolarHBondContact OD1-CB 3.45Å; D257-S339 PolarHBondContact OD1-OG 3.48Å; D257-T341 PolarHBondContact O-OG1 2.95Å; D257-T341 WeakPolarHBondContact OD1-CB 3.29Å; D257-T341 PolarHBondContact OD1-OG1 3.3Å
258	E	89.7	Confident	92.5	Very high	136 Å²	136	32.8 Å²	32.8	64%	0.636	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.4	177.2	-65.9	-174.2	169.1	0	0	113.7	Y255 F256	Y255-E258 PolarHBondContact O-N 3.01Å; F256-E258 PolarHBondContact O-N 3.17Å
259	Y	91.1	Very high	92.6	Very high	35 Å²	35	32.1 Å²	32.1	14%	0.137	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-48	-172.4	-66.4	-91.5	0	0	0	112.7	P178 Y255 F256 R263	P178-Y259 HydrophobicContact CB-CD1 4.37Å; P178-Y259 HydrophobicContact CB-CE1 3.77Å; P178-Y259 HydrophobicContact CG-CE1 3.63Å; Y255-Y259 HydrophobicContact CD2-CE2 4.34Å; Y255-Y259 HydrophobicContact CE1-CD2 4.07Å; Y255-Y259 HydrophobicContact CE1-CE2 4.09Å; Y255-Y259 HydrophobicContact CE2-CD2 4.49Å; Y255-Y259 AromaticContact CE2-CE2 3.76Å; Y255-Y259 HydrophobicContact CE2-CE2 3.76Å; Y255-Y259 AromaticContact CZ-CE2 3.63Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.23Å; F256-Y259 PolarHBondContact O-N 3.41Å; F256-Y259 VanDerWaalsContact O-N 3.12Å; Y259-R263 HydrophobicContact CD1-CB 4.42Å; Y259-R263 VanDerWaalsContact O-CD 3.31Å; Y259-R263 WeakPolarHBondContact O-CD 3.24Å; Y259-R263 WeakPolarHBondContact O-CG 3.36Å; Y259-R263 PolarHBondContact O-NH1 3.02Å
260	G	95	Very high	92.9	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	70.9	171.9	-172.5	0	0	0	0	0	114.1	F256 I262 R263 D264 T341	F256-G260 PolarHBondContact O-N 3.38Å; G260-I262 VanDerWaalsContact C-N 3.29Å; G260-I262 PolarHBondContact O-N 2.81Å; G260-R263 PolarHBondContact O-N 3.5Å; G260-D264 WeakPolarHBondContact O-CB 3.41Å; G260-D264 PolarHBondContact O-N 2.7Å; G260-T341 VanDerWaalsContact CA-CG2 3.44Å
261	I	97.2	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-30.1	-170.6	-162.4	65.3	0	0	0	114.1	F256 D264 V265 M266 P342 A345 C365 K367	F256-I261 HydrophobicContact CE2-CD1 4.26Å; F256-I261 HydrophobicContact CZ-CB 3.95Å; F256-I261 HydrophobicContact CZ-CD1 4.06Å; I261-D264 PolarHBondContact O-N 2.92Å; I261-V265 HydrophobicContact CD1-CB 4.45Å; I261-V265 HydrophobicContact CD1-CG2 4.02Å; I261-V265 PolarHBondContact O-N 3.26Å; I261-M266 PolarHBondContact O-N 3.26Å; I261-P342 WeakPolarHBondContact CB-O 3.43Å; I261-P342 HydrophobicContact CG2-CB 4.2Å; I261-P342 HydrophobicContact CG2-CG 4.36Å; I261-P342 WeakPolarHBondContact CG2-O 3.27Å; I261-P342 PolarHBondContact N-O 3.35Å; I261-P342 VanDerWaalsContact N-O 3.08Å; I261-A345 HydrophobicContact CG2-CB 3.64Å; I261-C365 HydrophobicContact CG1-CB 4.17Å; I261-K367 HydrophobicContact CD1-CG 4.16Å
262	I	97.6	Very high	93.7	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	11%	0.113	C	C	.	.	I	π-helix	trans	-66.2	-46.2	-178.8	-63.8	173.6	0	0	0	110	G260 M266 Q267 L311 A345 F473 L476 L477 I480	G260-I262 VanDerWaalsContact C-N 3.29Å; G260-I262 PolarHBondContact O-N 2.81Å; I262-M266 HydrophobicContact CG1-SD 4.49Å; I262-M266 HydrophobicContact CG2-CB 4.35Å; I262-M266 WeakPolarHBondContact O-CB 3.4Å; I262-M266 PolarHBondContact O-N 2.77Å; I262-M266 VanDerWaalsContact O-N 3.14Å; I262-Q267 WeakPolarHBondContact O-CB 3.35Å; I262-Q267 PolarHBondContact O-N 3.02Å; I262-L311 HydrophobicContact CD1-CD2 4.01Å; I262-A345 HydrophobicContact CD1-CB 4.47Å; I262-A345 HydrophobicContact CG1-CB 3.91Å; I262-F473 HydrophobicContact CG2-CD1 3.8Å; I262-F473 HydrophobicContact CG2-CE1 4.35Å; I262-F473 HydrophobicContact CG2-CG 4.3Å; I262-L476 HydrophobicContact CD1-CD2 4.08Å; I262-L477 HydrophobicContact CB-CD2 3.94Å; I262-L477 HydrophobicContact CD1-CD2 4.21Å; I262-L477 HydrophobicContact CG2-CD2 3.82Å; I262-L477 HydrophobicContact CG2-CG 4.34Å; I262-I480 HydrophobicContact CD1-CD1 3.73Å
263	R	95.9	Very high	94.2	Very high	25 Å²	25	19.1 Å²	19.1	9%	0.094	9%	0.092	C	C	.	.	I	π-helix	trans	-74.8	-33.5	177.8	-63.1	-176.5	178.7	99.8	-5.7	112.3	K181 Y259 G260 N268 W470 L477 E481	K181-R263 PolarHBondContact O-NE 2.99Å; K181-R263 PolarHBondContact O-NH2 3.08Å; Y259-R263 HydrophobicContact CD1-CB 4.42Å; Y259-R263 VanDerWaalsContact O-CD 3.31Å; Y259-R263 WeakPolarHBondContact O-CD 3.24Å; Y259-R263 WeakPolarHBondContact O-CG 3.36Å; Y259-R263 PolarHBondContact O-NH1 3.02Å; G260-R263 PolarHBondContact O-N 3.5Å; R263-N268 PolarHBondContact O-ND2 2.83Å; R263-W470 HydrophobicContact CB-CH2 4.46Å; R263-W470 HydrophobicContact CG-CH2 4.06Å; R263-W470 HydrophobicContact CG-CZ3 4.23Å; R263-L477 HydrophobicContact CG-CD1 3.91Å; R263-L477 HydrophobicContact CG-CD2 4.17Å; R263-E481 IonicContact CZ-OE1 3.58Å; R263-E481 IonicContact NH1-OE1 3.59Å; R263-E481 PolarHBondContact NH1-OE1 2.74Å; R263-E481 VanDerWaalsContact NH1-OE1 3.07Å; R263-E481 IonicContact NH2-OE1 2.73Å; R263-E481 PolarHBondContact NH2-OE1 2.75Å
264	D	94.2	Very high	94.8	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.032	9%	0.093	C	C	.	.	I	π-helix	trans	-67.6	-45.9	-179.2	-174.2	20.1	0	0	0	111.8	M1 K177 F256 G260 I261 N268 K367	M1-D264 HydrophobicContact SD-CB 4.45Å; K177-D264 PolarHBondContact NZ-O 3.46Å; K177-D264 IonicContact NZ-OD1 3.18Å; K177-D264 PolarHBondContact NZ-OD1 3.36Å; F256-D264 HydrophobicContact CE2-CB 4Å; F256-D264 WeakPolarHBondContact CE2-OD2 3.18Å; G260-D264 WeakPolarHBondContact O-CB 3.41Å; G260-D264 PolarHBondContact O-N 2.7Å; I261-D264 PolarHBondContact O-N 2.92Å; D264-N268 PolarHBondContact O-ND2 3.34Å; D264-N268 PolarHBondContact O-OD1 2.83Å; D264-K367 WeakPolarHBondContact OD2-CE 3.33Å; D264-K367 IonicContact OD2-NZ 3.53Å; D264-K367 PolarHBondContact OD2-NZ 2.98Å
265	V	96.2	Very high	95.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-130.4	-41	-166.5	179.9	0	0	0	0	114.5	F243 I261 N268 H269 L270 C365	F243-V265 HydrophobicContact CB-CG1 3.9Å; F243-V265 HydrophobicContact CD1-CB 4.36Å; F243-V265 HydrophobicContact CD1-CG1 3.5Å; F243-V265 VanDerWaalsContact CD1-CG1 3.5Å; F243-V265 HydrophobicContact CD1-CG2 4.07Å; F243-V265 HydrophobicContact CD2-CG1 4.42Å; F243-V265 HydrophobicContact CE1-CG1 4.01Å; F243-V265 HydrophobicContact CE1-CG2 3.77Å; F243-V265 HydrophobicContact CG-CG1 3.67Å; F243-V265 HydrophobicContact CZ-CG2 4.4Å; I261-V265 HydrophobicContact CD1-CB 4.45Å; I261-V265 HydrophobicContact CD1-CG2 4.02Å; I261-V265 PolarHBondContact O-N 3.26Å; V265-N268 WeakPolarHBondContact CA-OD1 3.35Å; V265-N268 PolarHBondContact O-OD1 3.27Å; V265-H269 HydrophobicContact CG1-CB 4.41Å; V265-H269 WeakPolarHBondContact O-CB 3.2Å; V265-H269 PolarHBondContact O-N 3.19Å; V265-H269 VanDerWaalsContact O-N 3.13Å; V265-L270 HydrophobicContact CG1-CD2 4.43Å; V265-L270 HydrophobicContact CG1-CG 4.19Å; V265-L270 PolarHBondContact O-N 3.07Å; V265-L270 VanDerWaalsContact O-N 3.14Å; V265-C365 HydrophobicContact CB-CB 4.27Å; V265-C365 HydrophobicContact CG1-CB 3.84Å
266	M	97.7	Very high	95.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.068	C	C	.	.	I	π-helix	trans	-73.5	-48.2	-170	-170	175.9	-75.6	0	0	112.4	I261 I262 N268 L270 L271 A345 A347 L363 C365 F473	I261-M266 PolarHBondContact O-N 3.26Å; I262-M266 HydrophobicContact CG1-SD 4.49Å; I262-M266 HydrophobicContact CG2-CB 4.35Å; I262-M266 WeakPolarHBondContact O-CB 3.4Å; I262-M266 PolarHBondContact O-N 2.77Å; I262-M266 VanDerWaalsContact O-N 3.14Å; M266-N268 VanDerWaalsContact C-N 3.26Å; M266-N268 PolarHBondContact O-N 2.95Å; M266-L270 HydrophobicContact CG-CD1 4.45Å; M266-L271 PolarHBondContact O-N 2.82Å; M266-A345 HydrophobicContact CE-CB 3.58Å; M266-A347 HydrophobicContact CE-CB 4.15Å; M266-A347 HydrophobicContact SD-CB 3.7Å; M266-L363 HydrophobicContact CE-CB 4.1Å; M266-L363 WeakPolarHBondContact CE-O 3.36Å; M266-L363 HydrophobicContact CG-CB 4.01Å; M266-L363 HydrophobicContact CG-CD1 4.05Å; M266-L363 HydrophobicContact SD-CB 4.16Å; M266-C365 VanDerWaalsContact CE-SG 3.58Å; M266-F473 HydrophobicContact CG-CE1 3.89Å; M266-F473 HydrophobicContact CG-CZ 3.75Å; M266-F473 HydrophobicContact SD-CE1 3.61Å; M266-F473 HydrophobicContact SD-CZ 4.04Å
267	Q	97	Very high	95.9	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.033	7%	0.066	C	C	.	.	I	π-helix	trans	-67.1	-27.8	-175.6	-178.8	-83.4	-21.7	0	0	112.6	I262 L271 A469 W470 F473	I262-Q267 WeakPolarHBondContact O-CB 3.35Å; I262-Q267 PolarHBondContact O-N 3.02Å; Q267-L271 WeakPolarHBondContact O-CB 3.47Å; Q267-L271 WeakPolarHBondContact O-CD2 3.49Å; Q267-A469 VanDerWaalsContact NE2-CB 3.31Å; Q267-W470 HydrophobicContact CG-CD2 4.26Å; Q267-W470 HydrophobicContact CG-CE3 4.03Å; Q267-W470 HydrophobicContact CG-CH2 4.29Å; Q267-W470 HydrophobicContact CG-CZ3 4.04Å; Q267-F473 HydrophobicContact CB-CD2 3.92Å; Q267-F473 HydrophobicContact CB-CE2 4.38Å; Q267-F473 HydrophobicContact CB-CG 4.33Å; Q267-F473 HydrophobicContact CG-CB 4.38Å; Q267-F473 HydrophobicContact CG-CD2 3.87Å; Q267-F473 HydrophobicContact CG-CG 4.4Å
268	N	94.1	Very high	96.1	Very high	15 Å²	15	12.1 Å²	12.1	8%	0.08	6%	0.056	C	C	.	.	I	π-helix	trans	-102.3	-86.7	179.2	51.1	24.8	0	0	0	110.4	K177 D206 R263 D264 V265 M266 L270 L271 Q272	K177-N268 WeakPolarHBondContact CD-ND2 3.49Å; D206-N268 VanDerWaalsContact OD2-C 3.28Å; D206-N268 WeakPolarHBondContact OD2-CB 3.43Å; R263-N268 PolarHBondContact O-ND2 2.83Å; D264-N268 PolarHBondContact O-ND2 3.34Å; D264-N268 PolarHBondContact O-OD1 2.83Å; V265-N268 WeakPolarHBondContact CA-OD1 3.35Å; V265-N268 PolarHBondContact O-OD1 3.27Å; M266-N268 VanDerWaalsContact C-N 3.26Å; M266-N268 PolarHBondContact O-N 2.95Å; N268-L270 PolarHBondContact O-N 3.02Å; N268-L271 PolarHBondContact O-N 2.9Å; N268-L271 VanDerWaalsContact O-N 3.13Å; N268-Q272 WeakPolarHBondContact O-CG 3.48Å; N268-Q272 PolarHBondContact O-N 3.48Å
269	H	95.1	Very high	96.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.	I	π-helix	trans	-55.5	-50.1	-167.5	-54.9	-25.4	0	0	0	112.9	K177 D206 H207 Y208 V265 Q272 I273	K177-H269 PolarHBondContact NZ-CE1 2.68Å; K177-H269 PolarHBondContact NZ-NE2 2.76Å; D206-H269 IonicContact OD1-CE1 3.64Å; D206-H269 PolarHBondContact OD1-CE1 2.84Å; D206-H269 IonicContact OD1-CG 3.88Å; D206-H269 IonicContact OD1-ND1 2.7Å; D206-H269 PolarHBondContact OD1-ND1 3.47Å; D206-H269 IonicContact OD2-CE1 3.83Å; D206-H269 PolarHBondContact OD2-N 3Å; D206-H269 IonicContact OD2-ND1 2.65Å; D206-H269 PolarHBondContact OD2-ND1 3.5Å; H207-H269 AromaticContact CE1-CE1 3.54Å; H207-H269 AromaticContact CE1-NE2 3.26Å; H207-H269 PolarHBondContact CE1-NE2 3.39Å; H207-H269 VanDerWaalsContact CE1-NE2 3.26Å; H207-H269 AromaticContact ND1-CE1 3.61Å; H207-H269 AromaticContact ND1-NE2 3.8Å; Y208-H269 HydrophobicContact CD1-CB 4.32Å; Y208-H269 HydrophobicContact CD2-CB 3.65Å; Y208-H269 AromaticContact CD2-CD2 3.41Å; Y208-H269 VanDerWaalsContact CD2-CD2 3.41Å; Y208-H269 WeakPolarHBondContact CD2-CD2 3.44Å; Y208-H269 AromaticContact CD2-CE1 3.78Å; Y208-H269 AromaticContact CD2-CG 3.24Å; Y208-H269 AromaticContact CD2-ND1 3.5Å; Y208-H269 AromaticContact CD2-NE2 3.76Å; Y208-H269 HydrophobicContact CE2-CB 4.16Å; Y208-H269 AromaticContact CE2-CD2 3.48Å; Y208-H269 VanDerWaalsContact CE2-CD2 3.48Å; Y208-H269 WeakPolarHBondContact CE2-CD2 3.48Å; Y208-H269 AromaticContact CE2-CG 3.76Å; Y208-H269 AromaticContact CE2-NE2 3.96Å; Y208-H269 HydrophobicContact CG-CB 3.75Å; Y208-H269 AromaticContact CG-CG 3.83Å; V265-H269 HydrophobicContact CG1-CB 4.41Å; V265-H269 WeakPolarHBondContact O-CB 3.2Å; V265-H269 PolarHBondContact O-N 3.19Å; V265-H269 VanDerWaalsContact O-N 3.13Å; H269-Q272 PolarHBondContact O-N 3.27Å; H269-I273 WeakPolarHBondContact O-CG1 3.47Å; H269-I273 PolarHBondContact O-N 2.95Å; H269-I273 VanDerWaalsContact O-N 3.15Å
270	L	97.9	Very high	96.7	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.03	C	C	.	.	I	π-helix	trans	-69.9	-38.8	-177.9	-60.1	-162.9	0	0	0	112.1	I241 F243 V265 M266 N268 I273 L274 L363 C365	I241-L270 HydrophobicContact CG2-CB 4.46Å; I241-L270 HydrophobicContact CG2-CD2 3.89Å; F243-L270 HydrophobicContact CB-CD2 3.77Å; V265-L270 HydrophobicContact CG1-CD2 4.43Å; V265-L270 HydrophobicContact CG1-CG 4.19Å; V265-L270 PolarHBondContact O-N 3.07Å; V265-L270 VanDerWaalsContact O-N 3.14Å; M266-L270 HydrophobicContact CG-CD1 4.45Å; N268-L270 PolarHBondContact O-N 3.02Å; L270-I273 PolarHBondContact O-N 3.12Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.28Å; L270-L363 HydrophobicContact CB-CD2 4.15Å; L270-L363 HydrophobicContact CD1-CB 3.99Å; L270-C365 HydrophobicContact CD1-CB 3.92Å
271	L	97.7	Very high	96.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-35.3	178.7	-167.2	69.7	0	0	0	111.9	M266 Q267 N268 L274 C275 L298 A469 I472 F473	M266-L271 PolarHBondContact O-N 2.82Å; Q267-L271 WeakPolarHBondContact O-CB 3.47Å; Q267-L271 WeakPolarHBondContact O-CD2 3.49Å; N268-L271 PolarHBondContact O-N 2.9Å; N268-L271 VanDerWaalsContact O-N 3.13Å; L271-L274 HydrophobicContact CD1-CD1 4.45Å; L271-L274 WeakPolarHBondContact O-CB 3.41Å; L271-L274 PolarHBondContact O-N 3.4Å; L271-C275 PolarHBondContact O-N 3.38Å; L271-C275 PolarHBondContact O-SG 3.03Å; L271-L298 HydrophobicContact CD1-CD2 3.82Å; L271-L298 HydrophobicContact CD2-CD2 3.73Å; L271-L298 HydrophobicContact CG-CD2 3.71Å; L271-A469 HydrophobicContact CD2-CB 3.39Å; L271-I472 HydrophobicContact CD1-CD1 4.41Å; L271-I472 HydrophobicContact CD2-CD1 4.38Å; L271-F473 HydrophobicContact CD1-CE2 4.19Å; L271-F473 HydrophobicContact CD2-CE2 4.08Å
272	Q	96.2	Very high	96.8	Very high	5 Å²	5	13.4 Å²	13.4	2%	0.023	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-47.4	171.9	-74.2	-53.8	-53.1	0	0	111.6	D206 L209 N268 H269 L274 C275 L276 E465	D206-Q272 HydrophobicContact CB-CG 4.33Å; D206-Q272 WeakPolarHBondContact OD2-CG 3.44Å; L209-Q272 HydrophobicContact CD1-CG 4.39Å; L209-Q272 HydrophobicContact CD2-CB 3.97Å; L209-Q272 HydrophobicContact CD2-CG 4.35Å; L209-Q272 HydrophobicContact CG-CB 4.42Å; L209-Q272 HydrophobicContact CG-CG 4.38Å; N268-Q272 WeakPolarHBondContact O-CG 3.48Å; N268-Q272 PolarHBondContact O-N 3.48Å; H269-Q272 PolarHBondContact O-N 3.27Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 2.86Å; Q272-C275 WeakPolarHBondContact O-CB 3.39Å; Q272-C275 PolarHBondContact O-N 3.43Å; Q272-L276 PolarHBondContact O-N 3.49Å; Q272-E465 VanDerWaalsContact CD-OE1 3.22Å; Q272-E465 VanDerWaalsContact NE2-CD 3.25Å; Q272-E465 PolarHBondContact NE2-OE1 2.93Å; Q272-E465 PolarHBondContact OE1-OE1 3.43Å
273	I	97.4	Very high	96.7	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-40.1	175.8	-64.5	169	0	0	0	110.6	Y208 V214 L217 I241 H269 L270 C275 L276 V277 V376	Y208-I273 HydrophobicContact CD1-CD1 4Å; V214-I273 HydrophobicContact CG1-CG1 4.29Å; V214-I273 HydrophobicContact CG2-CD1 4.25Å; V214-I273 HydrophobicContact CG2-CG1 4.16Å; L217-I273 HydrophobicContact CD1-CG2 3.9Å; I241-I273 HydrophobicContact CD1-CB 4.42Å; I241-I273 HydrophobicContact CD1-CG2 4.1Å; I241-I273 HydrophobicContact CG2-CB 4.07Å; I241-I273 HydrophobicContact CG2-CD1 4.31Å; I241-I273 HydrophobicContact CG2-CG2 3.78Å; H269-I273 WeakPolarHBondContact O-CG1 3.47Å; H269-I273 PolarHBondContact O-N 2.95Å; H269-I273 VanDerWaalsContact O-N 3.15Å; L270-I273 PolarHBondContact O-N 3.12Å; I273-C275 VanDerWaalsContact C-N 3.29Å; I273-C275 PolarHBondContact O-N 3.04Å; I273-L276 PolarHBondContact O-N 3.34Å; I273-V277 HydrophobicContact CG2-CG2 4.32Å; I273-V277 WeakPolarHBondContact O-CG2 3.46Å; I273-V277 PolarHBondContact O-N 2.99Å; I273-V376 HydrophobicContact CG2-CG2 3.25Å
274	L	98.1	Very high	96.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-55.5	-46.3	175	-178.3	153.2	0	0	0	111	I241 L270 L271 Q272 L276 V277 A278 V297 I301 I351 F361 L363	I241-L274 VanDerWaalsContact CD1-CA 3.41Å; I241-L274 HydrophobicContact CD1-CB 3.61Å; I241-L274 HydrophobicContact CD1-CG 4.37Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.28Å; L271-L274 HydrophobicContact CD1-CD1 4.45Å; L271-L274 WeakPolarHBondContact O-CB 3.41Å; L271-L274 PolarHBondContact O-N 3.4Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 2.86Å; L274-L276 VanDerWaalsContact C-N 3.35Å; L274-L276 PolarHBondContact O-N 2.78Å; L274-V277 PolarHBondContact O-N 3.47Å; L274-A278 HydrophobicContact CD2-CB 4.41Å; L274-A278 VanDerWaalsContact O-CB 3.26Å; L274-A278 WeakPolarHBondContact O-CB 3.25Å; L274-A278 PolarHBondContact O-N 3.3Å; L274-V297 HydrophobicContact CD2-CG1 3.94Å; L274-I301 HydrophobicContact CD2-CD1 3.62Å; L274-I351 HydrophobicContact CD2-CD1 4Å; L274-F361 HydrophobicContact CD1-CB 3.89Å; L274-F361 HydrophobicContact CD1-CD1 3.82Å; L274-F361 HydrophobicContact CD1-CG 4.09Å; L274-F361 HydrophobicContact CG-CD1 3.83Å; L274-F361 HydrophobicContact CG-CE1 4.29Å; L274-L363 HydrophobicContact CB-CD2 4.44Å; L274-L363 HydrophobicContact CD1-CD1 4.39Å; L274-L363 HydrophobicContact CD1-CD2 3.94Å; L274-L363 HydrophobicContact CD1-CG 4.48Å
275	C	97.5	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-46.2	178.9	-65	0	0	0	0	111.6	L271 Q272 I273 V277 A278 M279 K294 L298	L271-C275 PolarHBondContact O-N 3.38Å; L271-C275 PolarHBondContact O-SG 3.03Å; Q272-C275 WeakPolarHBondContact O-CB 3.39Å; Q272-C275 PolarHBondContact O-N 3.43Å; I273-C275 VanDerWaalsContact C-N 3.29Å; I273-C275 PolarHBondContact O-N 3.04Å; C275-V277 VanDerWaalsContact C-N 3.31Å; C275-V277 PolarHBondContact O-N 3.16Å; C275-A278 PolarHBondContact O-N 2.84Å; C275-M279 WeakPolarHBondContact O-CB 3.39Å; C275-M279 WeakPolarHBondContact O-CG 3.49Å; C275-M279 PolarHBondContact O-N 2.72Å; C275-K294 HydrophobicContact CB-CB 3.98Å; C275-K294 HydrophobicContact CB-CG 3.96Å; C275-L298 WeakPolarHBondContact SG-CD2 3.31Å; C275-L298 VanDerWaalsContact SG-CG 3.51Å
276	L	96.6	Very high	96.2	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-32.9	179.3	-66	174.2	0	0	0	112.9	L209 V214 L217 R221 Q272 I273 L274 M279	L209-L276 HydrophobicContact CD2-CD1 4.12Å; V214-L276 HydrophobicContact CG1-CD1 3.46Å; V214-L276 VanDerWaalsContact CG1-CD1 3.46Å; L217-L276 HydrophobicContact CB-CB 4.39Å; L217-L276 HydrophobicContact CD1-CB 4.25Å; R221-L276 WeakPolarHBondContact CD-O 3.42Å; R221-L276 PolarHBondContact NH1-O 3.23Å; Q272-L276 PolarHBondContact O-N 3.49Å; I273-L276 PolarHBondContact O-N 3.34Å; L274-L276 VanDerWaalsContact C-N 3.35Å; L274-L276 PolarHBondContact O-N 2.78Å; L276-M279 HydrophobicContact CD2-SD 4Å
277	V	97.4	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-38	174	172.9	0	0	0	0	111.6	L217 R221 W231 V239 I273 L274 C275 F361 V376	L217-V277 HydrophobicContact CD1-CG2 4.17Å; L217-V277 HydrophobicContact CD2-CG2 4.22Å; R221-V277 PolarHBondContact NE-O 3.02Å; R221-V277 PolarHBondContact NH1-O 2.91Å; R221-V277 PolarHBondContact NH2-O 2.7Å; W231-V277 HydrophobicContact CZ2-CG1 4.13Å; W231-V277 PolarHBondContact NE1-O 2.97Å; V239-V277 HydrophobicContact CG1-CG1 4.02Å; V239-V277 HydrophobicContact CG2-CG1 4.48Å; I273-V277 HydrophobicContact CG2-CG2 4.32Å; I273-V277 WeakPolarHBondContact O-CG2 3.46Å; I273-V277 PolarHBondContact O-N 2.99Å; L274-V277 PolarHBondContact O-N 3.47Å; C275-V277 VanDerWaalsContact C-N 3.31Å; C275-V277 PolarHBondContact O-N 3.16Å; V277-F361 HydrophobicContact CG1-CE1 4.04Å; V277-V376 HydrophobicContact CG2-CG1 3.71Å; V277-V376 HydrophobicContact CG2-CG2 4.28Å
278	A	98	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-98.7	-23.8	-167.9	0	0	0	0	0	115.4	L274 C275 V297 I351 W356 F361	L274-A278 HydrophobicContact CD2-CB 4.41Å; L274-A278 VanDerWaalsContact O-CB 3.26Å; L274-A278 WeakPolarHBondContact O-CB 3.25Å; L274-A278 PolarHBondContact O-N 3.3Å; C275-A278 PolarHBondContact O-N 2.84Å; A278-V297 HydrophobicContact CB-CG1 3.81Å; A278-V297 HydrophobicContact CB-CG2 4.11Å; A278-I351 HydrophobicContact CB-CD1 3.34Å; A278-W356 HydrophobicContact CB-CZ2 4.36Å; A278-W356 PolarHBondContact O-NE1 2.8Å; A278-F361 HydrophobicContact CB-CE1 4.22Å; A278-F361 HydrophobicContact CB-CZ 4.13Å
279	M	97.2	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-55.9	149.2	-173.8	64.4	-178.2	-59.9	0	0	112.9	F218 R221 F222 C275 L276 P282 I290 E293 K294 V297	F218-M279 HydrophobicContact CD2-SD 4.47Å; R221-M279 VanDerWaalsContact CZ-O 3.24Å; R221-M279 PolarHBondContact NH1-O 3.37Å; R221-M279 PolarHBondContact NH2-O 3.36Å; F222-M279 HydrophobicContact CE2-CG 4.35Å; F222-M279 HydrophobicContact CZ-CG 4.35Å; C275-M279 WeakPolarHBondContact O-CB 3.39Å; C275-M279 WeakPolarHBondContact O-CG 3.49Å; C275-M279 PolarHBondContact O-N 2.72Å; L276-M279 HydrophobicContact CD2-SD 4Å; M279-P282 HydrophobicContact CE-CB 4.47Å; M279-P282 HydrophobicContact CE-CG 4.3Å; M279-I290 HydrophobicContact CE-CG2 4.02Å; M279-E293 HydrophobicContact CB-CB 4.04Å; M279-E293 HydrophobicContact CE-CB 3.58Å; M279-E293 HydrophobicContact CE-CG 4.47Å; M279-K294 HydrophobicContact CE-CG 4.5Å; M279-K294 HydrophobicContact SD-CG 4.33Å; M279-V297 VanDerWaalsContact CA-CG2 3.45Å; M279-V297 HydrophobicContact CB-CG2 4.21Å
280	E	97.2	Very high	95.9	Very high	45 Å²	45	43 Å²	43	21%	0.21	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.6	169	167.4	-63	-59.1	140.2	0	0	110.8	F222 P282 E293 R355	F222-E280 WeakPolarHBondContact CZ-O 3.34Å; E280-P282 WeakPolarHBondContact O-CD 3.41Å; E280-E293 WeakPolarHBondContact CB-OE2 3.32Å; E280-R355 VanDerWaalsContact CD-NE 3.32Å; E280-R355 WeakPolarHBondContact OE1-CD 3.3Å; E280-R355 IonicContact OE1-CZ 3.96Å; E280-R355 IonicContact OE1-NE 3.34Å; E280-R355 PolarHBondContact OE1-NE 3.34Å; E280-R355 IonicContact OE1-NH2 3.78Å; E280-R355 IonicContact OE2-CZ 2.76Å; E280-R355 IonicContact OE2-NE 3.85Å; E280-R355 PolarHBondContact OE2-NE 3.21Å; E280-R355 IonicContact OE2-NH2 3.28Å; E280-R355 PolarHBondContact OE2-NH2 2.93Å
281	K	96.5	Very high	95.8	Very high	145 Å²	145	43.2 Å²	43.2	63%	0.63	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-66	119.6	173.2	-173.9	178.5	178.8	178.7	0	108.6	F222	F222-K281 HydrophobicContact CD1-CB 3.74Å; F222-K281 HydrophobicContact CD1-CD 4.27Å; F222-K281 HydrophobicContact CD1-CG 3.77Å; F222-K281 VanDerWaalsContact CE1-CA 3.42Å; F222-K281 HydrophobicContact CE1-CB 3.56Å; F222-K281 HydrophobicContact CE1-CG 4.09Å; F222-K281 HydrophobicContact CG-CG 4.15Å; F222-K281 HydrophobicContact CZ-CB 4.18Å
282	P	96.5	Very high	95.8	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.065	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-68	160.5	178.1	31.7	-37.4	0	0	0	110.9	F218 M279 E280 S284 D289 I290 E293	F218-P282 HydrophobicContact CE2-CG 3.68Å; F218-P282 HydrophobicContact CZ-CG 3.85Å; M279-P282 HydrophobicContact CE-CB 4.47Å; M279-P282 HydrophobicContact CE-CG 4.3Å; E280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-S284 VanDerWaalsContact C-N 3.27Å; P282-S284 WeakPolarHBondContact CG-O 2.98Å; P282-S284 PolarHBondContact O-N 3.14Å; P282-D289 HydrophobicContact CB-CB 4.19Å; P282-I290 HydrophobicContact CB-CG1 4.33Å; P282-I290 HydrophobicContact CG-CG1 4.13Å; P282-E293 HydrophobicContact CB-CG 4.12Å
283	V	96	Very high	95.9	Very high	131 Å²	131	47.2 Å²	47.2	79%	0.794	24%	0.235	S	C	*	.	S	Bend	trans	-65	-33.6	179.7	-173.8	0	0	0	0	111.5
284	S	94.4	Very high	95.9	Very high	40 Å²	40	47.1 Å²	47.1	28%	0.28	23%	0.234	S	C	.	.	S	Bend	trans	-151.5	-175.7	175.8	84.3	0	0	0	0	111.9	P282 R286 D289	P282-S284 VanDerWaalsContact C-N 3.27Å; P282-S284 WeakPolarHBondContact CG-O 2.98Å; P282-S284 PolarHBondContact O-N 3.14Å; S284-R286 VanDerWaalsContact C-N 3.27Å; S284-R286 WeakPolarHBondContact OG-CB 3.28Å; S284-R286 VanDerWaalsContact OG-CG 3.27Å; S284-R286 WeakPolarHBondContact OG-CG 3.4Å; S284-R286 PolarHBondContact OG-N 3.19Å; S284-R286 VanDerWaalsContact OG-N 3.08Å; S284-D289 WeakPolarHBondContact CB-OD2 3.11Å; S284-D289 PolarHBondContact N-OD2 3.25Å; S284-D289 PolarHBondContact OG-OD2 2.77Å
285	L	90.4	Very high	95.9	Very high	122 Å²	122	47.2 Å²	47.2	64%	0.639	24%	0.235	S	C	*	.	S	Bend	trans	-85.5	6.3	173.4	-57.9	-177.6	0	0	0	113.3	F218	F218-L285 HydrophobicContact CE1-CD2 3.33Å; F218-L285 HydrophobicContact CZ-CD2 3.51Å
286	R	91	Very high	96	Very high	188 Å²	188	54.1 Å²	54.1	71%	0.709	26%	0.261	S	S	*	.	S	Bend	trans	-66	140.2	175.2	-68.4	173.8	178.7	-179.9	-0.4	109.6	S284 E288 D289 I290	S284-R286 VanDerWaalsContact C-N 3.27Å; S284-R286 WeakPolarHBondContact OG-CB 3.28Å; S284-R286 VanDerWaalsContact OG-CG 3.27Å; S284-R286 WeakPolarHBondContact OG-CG 3.4Å; S284-R286 PolarHBondContact OG-N 3.19Å; S284-R286 VanDerWaalsContact OG-N 3.08Å; R286-E288 PolarHBondContact O-N 3.06Å; R286-D289 PolarHBondContact O-N 2.96Å; R286-I290 PolarHBondContact O-N 3.27Å
287	A	91.6	Very high	96	Very high	21 Å²	21	53.7 Å²	53.7	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-51.7	-42.6	-179.6	0	0	0	0	0	112.5	D289 I290 H291 Q457 I458	A287-D289 PolarHBondContact O-N 3.24Å; A287-I290 PolarHBondContact O-N 3.45Å; A287-H291 WeakPolarHBondContact O-CB 3.44Å; A287-H291 PolarHBondContact O-CD2 3.31Å; A287-H291 VanDerWaalsContact O-CG 3.31Å; A287-H291 PolarHBondContact O-N 3.33Å; A287-Q457 HydrophobicContact CB-CB 4.1Å; A287-I458 HydrophobicContact CB-CG1 3.75Å
288	E	94	Very high	96.1	Very high	131 Å²	131	53.7 Å²	53.7	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-42.2	179.9	-169.3	174.5	-174.5	0	0	113	R286 I290 H291 N292	R286-E288 PolarHBondContact O-N 3.06Å; E288-I290 VanDerWaalsContact C-N 3.34Å; E288-I290 PolarHBondContact O-N 3.09Å; E288-H291 PolarHBondContact O-N 3.1Å; E288-N292 WeakPolarHBondContact O-CB 2.87Å; E288-N292 PolarHBondContact O-N 2.88Å; E288-N292 PolarHBondContact O-ND2 2.89Å; E288-N292 PolarHBondContact O-OD1 3.2Å
289	D	96	Very high	96.1	Very high	37 Å²	37	59.8 Å²	59.8	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-37.8	179.9	-67.4	-30.3	0	0	0	111.4	P282 S284 R286 A287 E293	P282-D289 HydrophobicContact CB-CB 4.19Å; S284-D289 WeakPolarHBondContact CB-OD2 3.11Å; S284-D289 PolarHBondContact N-OD2 3.25Å; S284-D289 PolarHBondContact OG-OD2 2.77Å; R286-D289 PolarHBondContact O-N 2.96Å; A287-D289 PolarHBondContact O-N 3.24Å; D289-E293 PolarHBondContact O-N 3.12Å
290	I	95.8	Very high	96.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-49.1	175.2	-65.6	171.5	0	0	0	110	F218 M279 P282 R286 A287 E288 N292 E293 K294 I458	F218-I290 HydrophobicContact CE2-CD1 4.42Å; F218-I290 HydrophobicContact CE2-CG1 4.33Å; M279-I290 HydrophobicContact CE-CG2 4.02Å; P282-I290 HydrophobicContact CB-CG1 4.33Å; P282-I290 HydrophobicContact CG-CG1 4.13Å; R286-I290 PolarHBondContact O-N 3.27Å; A287-I290 PolarHBondContact O-N 3.45Å; E288-I290 VanDerWaalsContact C-N 3.34Å; E288-I290 PolarHBondContact O-N 3.09Å; I290-N292 VanDerWaalsContact C-N 3.29Å; I290-N292 PolarHBondContact O-N 3.04Å; I290-E293 PolarHBondContact O-N 3.01Å; I290-K294 HydrophobicContact CG2-CD 4.12Å; I290-K294 WeakPolarHBondContact O-CG 3.36Å; I290-K294 PolarHBondContact O-N 2.81Å; I290-I458 HydrophobicContact CD1-CD1 4.37Å; I290-I458 HydrophobicContact CD1-CG1 4.31Å; I290-I458 HydrophobicContact CD1-CG2 3.84Å
291	H	96.7	Very high	96.2	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-38.7	178.3	-73.9	-42	0	0	0	112.4	A287 E288 E293 K294 V295 Q457 I458 F460 E465	A287-H291 WeakPolarHBondContact O-CB 3.44Å; A287-H291 PolarHBondContact O-CD2 3.31Å; A287-H291 VanDerWaalsContact O-CG 3.31Å; A287-H291 PolarHBondContact O-N 3.33Å; E288-H291 PolarHBondContact O-N 3.1Å; H291-E293 VanDerWaalsContact C-N 3.32Å; H291-E293 PolarHBondContact O-N 3.03Å; H291-K294 PolarHBondContact O-N 3.07Å; H291-V295 WeakPolarHBondContact O-CB 3.26Å; H291-V295 VanDerWaalsContact O-CG2 3.28Å; H291-V295 WeakPolarHBondContact O-CG2 3.47Å; H291-V295 PolarHBondContact O-N 3.46Å; H291-Q457 PolarHBondContact CE1-O 2.78Å; H291-Q457 PolarHBondContact NE2-O 2.94Å; H291-I458 PolarHBondContact CE1-O 2.89Å; H291-I458 VanDerWaalsContact CE1-O 3.29Å; H291-F460 PolarHBondContact CE1-O 2.82Å; H291-F460 PolarHBondContact NE2-O 3.18Å; H291-E465 IonicContact ND1-OE2 3.25Å
292	N	97.8	Very high	96.2	Very high	64 Å²	64	57.2 Å²	57.2	34%	0.342	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-42.7	177.3	-71.4	-15.1	0	0	0	111.7	E288 I290 R296 R462	E288-N292 WeakPolarHBondContact O-CB 2.87Å; E288-N292 PolarHBondContact O-N 2.88Å; E288-N292 PolarHBondContact O-ND2 2.89Å; E288-N292 PolarHBondContact O-OD1 3.2Å; I290-N292 VanDerWaalsContact C-N 3.29Å; I290-N292 PolarHBondContact O-N 3.04Å; N292-R296 VanDerWaalsContact O-CB 3.28Å; N292-R296 WeakPolarHBondContact O-CB 3.24Å; N292-R296 PolarHBondContact O-N 3.16Å; N292-R462 PolarHBondContact OD1-NH1 2.95Å; N292-R462 PolarHBondContact OD1-NH2 2.93Å
293	E	97.8	Very high	96.3	Very high	26 Å²	26	57.9 Å²	57.9	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-73.7	-32.5	177.4	-66	-55.7	155.1	0	0	113	M279 E280 P282 D289 I290 H291 R296 V297	M279-E293 HydrophobicContact CB-CB 4.04Å; M279-E293 HydrophobicContact CE-CB 3.58Å; M279-E293 HydrophobicContact CE-CG 4.47Å; E280-E293 WeakPolarHBondContact CB-OE2 3.32Å; P282-E293 HydrophobicContact CB-CG 4.12Å; D289-E293 PolarHBondContact O-N 3.12Å; I290-E293 PolarHBondContact O-N 3.01Å; H291-E293 VanDerWaalsContact C-N 3.32Å; H291-E293 PolarHBondContact O-N 3.03Å; E293-R296 PolarHBondContact O-N 3.05Å; E293-R296 IonicContact OE1-NH1 3.54Å; E293-R296 WeakPolarHBondContact OE2-CD 3.25Å; E293-R296 IonicContact OE2-NH1 2.67Å; E293-V297 PolarHBondContact O-N 2.65Å
294	K	97.8	Very high	96.4	Very high	2 Å²	2	52 Å²	52	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-50.7	170.8	-66.1	172.1	73.9	-157.4	0	111	C275 M279 I290 H291 R296 V297 L298 E465	C275-K294 HydrophobicContact CB-CB 3.98Å; C275-K294 HydrophobicContact CB-CG 3.96Å; M279-K294 HydrophobicContact CE-CG 4.5Å; M279-K294 HydrophobicContact SD-CG 4.33Å; I290-K294 HydrophobicContact CG2-CD 4.12Å; I290-K294 WeakPolarHBondContact O-CG 3.36Å; I290-K294 PolarHBondContact O-N 2.81Å; H291-K294 PolarHBondContact O-N 3.07Å; K294-R296 VanDerWaalsContact C-N 3.31Å; K294-R296 PolarHBondContact O-N 3.35Å; K294-V297 WeakPolarHBondContact O-CB 3.43Å; K294-V297 PolarHBondContact O-N 3.16Å; K294-L298 WeakPolarHBondContact O-CG 3.35Å; K294-L298 PolarHBondContact O-N 3.43Å; K294-L298 VanDerWaalsContact O-N 3.11Å; K294-E465 WeakPolarHBondContact CE-OE1 3.4Å; K294-E465 IonicContact NZ-OE1 2.73Å; K294-E465 PolarHBondContact NZ-OE1 3.41Å; K294-E465 IonicContact NZ-OE2 2.89Å; K294-E465 PolarHBondContact NZ-OE2 3.1Å
295	V	98.2	Very high	96.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-37.7	178.9	172.8	0	0	0	0	111.4	H291 V297 L298 K299 E465 E468	H291-V295 WeakPolarHBondContact O-CB 3.26Å; H291-V295 VanDerWaalsContact O-CG2 3.28Å; H291-V295 WeakPolarHBondContact O-CG2 3.47Å; H291-V295 PolarHBondContact O-N 3.46Å; V295-V297 VanDerWaalsContact C-N 3.3Å; V295-V297 PolarHBondContact O-N 2.69Å; V295-L298 PolarHBondContact O-N 2.94Å; V295-K299 HydrophobicContact CG1-CD 4.14Å; V295-K299 HydrophobicContact CG1-CG 4.41Å; V295-K299 WeakPolarHBondContact O-CG 3.37Å; V295-K299 PolarHBondContact O-N 3.46Å; V295-E465 HydrophobicContact CG2-CB 3.88Å; V295-E468 HydrophobicContact CG1-CG 4.48Å
296	R	98.3	Very high	96.8	Very high	144 Å²	144	50.3 Å²	50.3	54%	0.543	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-41.4	175.7	-173.1	-178.4	-178.3	-177.6	-1.4	111.9	N292 E293 K294 C300	N292-R296 VanDerWaalsContact O-CB 3.28Å; N292-R296 WeakPolarHBondContact O-CB 3.24Å; N292-R296 PolarHBondContact O-N 3.16Å; E293-R296 PolarHBondContact O-N 3.05Å; E293-R296 IonicContact OE1-NH1 3.54Å; E293-R296 WeakPolarHBondContact OE2-CD 3.25Å; E293-R296 IonicContact OE2-NH1 2.67Å; K294-R296 VanDerWaalsContact C-N 3.31Å; K294-R296 PolarHBondContact O-N 3.35Å; R296-C300 PolarHBondContact O-SG 2.91Å
297	V	98.3	Very high	97	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-51	173.1	168.1	0	0	0	0	111	L274 A278 M279 E293 K294 V295 K299 C300 I301 I351	L274-V297 HydrophobicContact CD2-CG1 3.94Å; A278-V297 HydrophobicContact CB-CG1 3.81Å; A278-V297 HydrophobicContact CB-CG2 4.11Å; M279-V297 VanDerWaalsContact CA-CG2 3.45Å; M279-V297 HydrophobicContact CB-CG2 4.21Å; E293-V297 PolarHBondContact O-N 2.65Å; K294-V297 WeakPolarHBondContact O-CB 3.43Å; K294-V297 PolarHBondContact O-N 3.16Å; V295-V297 VanDerWaalsContact C-N 3.3Å; V295-V297 PolarHBondContact O-N 2.69Å; V297-K299 PolarHBondContact O-N 3.44Å; V297-C300 WeakPolarHBondContact O-CA 3.41Å; V297-C300 WeakPolarHBondContact O-CB 3.26Å; V297-C300 PolarHBondContact O-N 3.04Å; V297-I301 HydrophobicContact CG1-CD1 4.22Å; V297-I351 HydrophobicContact CG1-CD1 3.98Å; V297-I351 HydrophobicContact CG1-CG2 4.21Å
298	L	98.5	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-37.8	-176.4	-67.6	173.9	0	0	0	112.5	L271 C275 K294 V295 C300 I301 E465 E468 R471 I472	L271-L298 HydrophobicContact CD1-CD2 3.82Å; L271-L298 HydrophobicContact CD2-CD2 3.73Å; L271-L298 HydrophobicContact CG-CD2 3.71Å; C275-L298 WeakPolarHBondContact SG-CD2 3.31Å; C275-L298 VanDerWaalsContact SG-CG 3.51Å; K294-L298 WeakPolarHBondContact O-CG 3.35Å; K294-L298 PolarHBondContact O-N 3.43Å; K294-L298 VanDerWaalsContact O-N 3.11Å; V295-L298 PolarHBondContact O-N 2.94Å; L298-C300 PolarHBondContact O-N 3.21Å; L298-I301 HydrophobicContact CD2-CD1 4.27Å; L298-I301 PolarHBondContact O-N 3.21Å; L298-E465 HydrophobicContact CD1-CB 4.43Å; L298-E465 HydrophobicContact CD1-CG 3.76Å; L298-E468 HydrophobicContact CB-CB 3.6Å; L298-E468 HydrophobicContact CB-CG 4.25Å; L298-E468 HydrophobicContact CD1-CB 4.11Å; L298-E468 HydrophobicContact CG-CB 4.46Å; L298-R471 PolarHBondContact O-NH2 3.06Å; L298-I472 HydrophobicContact CB-CD1 4.38Å; L298-I472 HydrophobicContact CD2-CD1 3.83Å
299	K	98.4	Very high	97.4	Very high	128 Å²	128	42.8 Å²	42.8	56%	0.557	21%	0.209	S	C	*	.	H	α-helix	trans	-62.6	-22.9	174.4	-76	177.7	176.2	178.1	0	114	V295 V297 I301 E468	V295-K299 HydrophobicContact CG1-CD 4.14Å; V295-K299 HydrophobicContact CG1-CG 4.41Å; V295-K299 WeakPolarHBondContact O-CG 3.37Å; V295-K299 PolarHBondContact O-N 3.46Å; V297-K299 PolarHBondContact O-N 3.44Å; K299-I301 VanDerWaalsContact C-N 3.32Å; K299-E468 HydrophobicContact CG-CG 3.99Å
300	C	98.4	Very high	97.5	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.196	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.2	176.4	-57.2	0	0	0	0	112.8	R296 V297 L298 I351 N352 N353	R296-C300 PolarHBondContact O-SG 2.91Å; V297-C300 WeakPolarHBondContact O-CA 3.41Å; V297-C300 WeakPolarHBondContact O-CB 3.26Å; V297-C300 PolarHBondContact O-N 3.04Å; L298-C300 PolarHBondContact O-N 3.21Å; C300-I351 HydrophobicContact CB-CG2 3.87Å; C300-N352 WeakPolarHBondContact O-CB 3.39Å; C300-N352 PolarHBondContact O-N 3.14Å; C300-N353 HydrophobicContact CB-CB 4.45Å
301	I	98.4	Very high	97.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-102.9	121.8	178.9	-57.9	172.5	0	0	0	108.9	L274 V297 L298 K299 I351 R471 I472	L274-I301 HydrophobicContact CD2-CD1 3.62Å; V297-I301 HydrophobicContact CG1-CD1 4.22Å; L298-I301 HydrophobicContact CD2-CD1 4.27Å; L298-I301 PolarHBondContact O-N 3.21Å; K299-I301 VanDerWaalsContact C-N 3.32Å; I301-I351 HydrophobicContact CD1-CG1 4.15Å; I301-I351 HydrophobicContact CG1-CB 4.47Å; I301-I351 HydrophobicContact CG1-CG1 3.91Å; I301-R471 PolarHBondContact O-NH1 3.41Å; I301-R471 PolarHBondContact O-NH2 3.14Å; I301-I472 HydrophobicContact CB-CD1 3.78Å; I301-I472 HydrophobicContact CB-CG1 4.13Å; I301-I472 HydrophobicContact CD1-CD1 4.22Å; I301-I472 HydrophobicContact CG2-CD1 3.9Å; I301-I472 HydrophobicContact CG2-CG1 3.99Å; I301-I472 HydrophobicContact CG2-CG2 3.99Å
302	D	97.1	Very high	97.7	Very high	105 Å²	105	41.1 Å²	41.1	56%	0.561	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-71.3	164.9	173	-70.6	-37.1	0	0	0	111.7	V304 N352	D302-V304 PolarHBondContact O-N 3.2Å; D302-N352 PolarHBondContact OD2-ND2 2.97Å
303	A	97.9	Very high	97.8	Very high	24 Å²	24	38.8 Å²	38.8	20%	0.198	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-61	132.2	173	0	0	0	0	0	110.4	Q305 I472 P475	A303-Q305 PolarHBondContact O-N 3.39Å; A303-Q305 PolarHBondContact O-NE2 3.31Å; A303-I472 WeakPolarHBondContact CA-O 3.3Å; A303-P475 HydrophobicContact CB-CB 4.19Å; A303-P475 HydrophobicContact CB-CG 3.86Å
304	V	97.4	Very high	97.8	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64.6	130.2	-179.3	-179.5	0	0	0	0	109.8	D302 V309 A347 I472 F473 L476	D302-V304 PolarHBondContact O-N 3.2Å; V304-V309 HydrophobicContact CG1-CG2 3.42Å; V304-V309 VanDerWaalsContact CG1-CG2 3.42Å; V304-A347 HydrophobicContact CG1-CB 4.09Å; V304-I472 HydrophobicContact CG2-CG2 3.78Å; V304-I472 PolarHBondContact N-O 2.95Å; V304-I472 VanDerWaalsContact N-O 3.08Å; V304-F473 HydrophobicContact CG2-CD1 4.4Å; V304-F473 HydrophobicContact CG2-CE1 4.06Å; V304-L476 HydrophobicContact CB-CD2 4.16Å; V304-L476 HydrophobicContact CG1-CD2 3.94Å
305	Q	96.4	Very high	97.8	Very high	87 Å²	87	41.4 Å²	41.4	41%	0.407	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-93.4	144.8	179.6	-59.3	-54.3	-48.5	0	0	111.1	A303 E307 D308 V309	A303-Q305 PolarHBondContact O-N 3.39Å; A303-Q305 PolarHBondContact O-NE2 3.31Å; Q305-E307 HydrophobicContact CB-CG 4.01Å; Q305-E307 PolarHBondContact O-N 3.28Å; Q305-E307 VanDerWaalsContact O-N 3.16Å; Q305-D308 PolarHBondContact O-N 3.03Å; Q305-D308 VanDerWaalsContact O-N 3.07Å; Q305-V309 WeakPolarHBondContact O-CG2 3.33Å
306	L	96.2	Very high	97.7	Very high	39 Å²	39	41.9 Å²	41.9	20%	0.204	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.7	-27.5	-177.4	-175.3	64.9	0	0	0	113.4	D308 V309 L476 K479 I480 V485	L306-D308 PolarHBondContact O-N 2.83Å; L306-V309 PolarHBondContact O-N 2.89Å; L306-L476 HydrophobicContact CB-CD1 4.26Å; L306-L476 HydrophobicContact CD1-CD1 4.01Å; L306-K479 HydrophobicContact CB-CD 4.01Å; L306-K479 HydrophobicContact CD2-CD 4.24Å; L306-K479 HydrophobicContact CD2-CG 4.26Å; L306-I480 HydrophobicContact CD1-CG1 4.16Å; L306-V485 HydrophobicContact CD1-CG2 4.13Å; L306-V485 HydrophobicContact CD2-CG2 3.82Å
307	E	95.6	Very high	97.6	Very high	146 Å²	146	36.5 Å²	36.5	68%	0.682	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-69.1	-20.4	178	61.6	-163	-119.2	0	0	114.3	Q305	Q305-E307 HydrophobicContact CB-CG 4.01Å; Q305-E307 PolarHBondContact O-N 3.28Å; Q305-E307 VanDerWaalsContact O-N 3.16Å
308	D	96.5	Very high	97.3	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-101.8	16.8	177.7	-67.8	-53.6	0	0	0	112.2	Q305 L306 A348 W350 H507	Q305-D308 PolarHBondContact O-N 3.03Å; Q305-D308 VanDerWaalsContact O-N 3.07Å; L306-D308 PolarHBondContact O-N 2.83Å; D308-A348 HydrophobicContact CB-CB 4.24Å; D308-A348 PolarHBondContact O-N 2.89Å; D308-W350 HydrophobicContact CB-CH2 4.32Å; D308-W350 HydrophobicContact CB-CZ3 4.22Å; D308-H507 IonicContact OD1-CD2 3.52Å; D308-H507 IonicContact OD1-CE1 2.84Å; D308-H507 IonicContact OD1-NE2 3.03Å; D308-H507 PolarHBondContact OD1-NE2 3.34Å
309	V	98	Very high	97	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	-176	176.2	0	0	0	0	111.1	V304 Q305 L306 L311 L346 A347 L476	V304-V309 HydrophobicContact CG1-CG2 3.42Å; V304-V309 VanDerWaalsContact CG1-CG2 3.42Å; Q305-V309 WeakPolarHBondContact O-CG2 3.33Å; L306-V309 PolarHBondContact O-N 2.89Å; V309-L311 HydrophobicContact CG1-CD2 3.63Å; V309-L311 HydrophobicContact CG1-CG 4Å; V309-L346 CarbonylContact C-O 3.57Å; V309-L346 VanDerWaalsContact CA-O 3.22Å; V309-L346 WeakPolarHBondContact CA-O 3.21Å; V309-A347 HydrophobicContact CG2-CB 4.03Å; V309-L476 HydrophobicContact CB-CD1 4.45Å; V309-L476 HydrophobicContact CG1-CD2 4.49Å; V309-L476 HydrophobicContact CG2-CD1 3.99Å; V309-L476 HydrophobicContact CG2-CD2 3.82Å
310	V	98.4	Very high	96.7	Very high	8 Å²	8	45 Å²	45	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.1	165.4	-176.3	0	0	0	0	108.9	A345 L346 P497 E499 I503	V310-A345 CarbonylContact O-C 3.55Å; V310-A345 VanDerWaalsContact O-CA 3.26Å; V310-A345 WeakPolarHBondContact O-CA 3.33Å; V310-L346 HydrophobicContact CB-CB 4.26Å; V310-L346 HydrophobicContact CG2-CD2 4.45Å; V310-L346 PolarHBondContact N-O 3.2Å; V310-L346 PolarHBondContact O-N 3.13Å; V310-P497 HydrophobicContact CG1-CB 4.04Å; V310-P497 HydrophobicContact CG1-CG 4.3Å; V310-E499 HydrophobicContact CG1-CB 3.94Å; V310-E499 HydrophobicContact CG2-CB 4.14Å; V310-I503 HydrophobicContact CG2-CB 4.39Å; V310-I503 HydrophobicContact CG2-CD1 3.51Å; V310-I503 HydrophobicContact CG2-CG1 3.95Å
311	L	98.7	Very high	96.4	Very high	9 Å²	9	51 Å²	51	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.9	173.9	-59.8	-179.2	0	0	0	109.5	I262 V309 P342 A345 I480 V485 P487 C488	I262-L311 HydrophobicContact CD1-CD2 4.01Å; V309-L311 HydrophobicContact CG1-CD2 3.63Å; V309-L311 HydrophobicContact CG1-CG 4Å; L311-P342 HydrophobicContact CB-CB 4.15Å; L311-P342 HydrophobicContact CD2-CB 4.05Å; L311-P342 HydrophobicContact CD2-CG 4.22Å; L311-A345 HydrophobicContact CD2-CB 4.07Å; L311-I480 HydrophobicContact CD1-CD1 3.69Å; L311-I480 HydrophobicContact CD1-CG1 3.83Å; L311-I480 HydrophobicContact CD1-CG2 4.04Å; L311-I480 HydrophobicContact CD2-CD1 4.17Å; L311-V485 HydrophobicContact CD1-CB 4.26Å; L311-V485 HydrophobicContact CD1-CG1 3.97Å; L311-P487 HydrophobicContact CB-CB 4.16Å; L311-C488 PolarHBondContact O-N 2.88Å
312	G	98.4	Very high	96	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.6	177	0	0	0	0	0	113.3	P342 T343 Y344 C488	G312-P342 CarbonylContact O-C 3.56Å; G312-P342 WeakPolarHBondContact O-CA 3.33Å; G312-T343 PolarHBondContact O-N 2.98Å; G312-T343 PolarHBondContact O-OG1 3.13Å; G312-Y344 PolarHBondContact N-O 3.32Å; G312-Y344 PolarHBondContact O-N 3.08Å; G312-C488 CarbonylContact C-O 3.54Å; G312-C488 WeakPolarHBondContact CA-O 3.44Å
313	Q	98.5	Very high	95.8	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.065	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.5	171.9	-172.9	175.8	91.7	0	0	109.7	Y329 S339 T341 T343 P487 C488 P489 Y490	Q313-Y329 HydrophobicContact CG-CD1 3.89Å; Q313-Y329 HydrophobicContact CG-CG 4.16Å; Q313-S339 PolarHBondContact NE2-O 3.32Å; Q313-S339 VanDerWaalsContact NE2-O 3.12Å; Q313-T341 PolarHBondContact NE2-O 2.95Å; Q313-T343 WeakPolarHBondContact CA-OG1 3.4Å; Q313-T343 HydrophobicContact CG-CG2 4.41Å; Q313-P487 HydrophobicContact CB-CB 3.89Å; Q313-P487 HydrophobicContact CB-CG 3.6Å; Q313-C488 PolarHBondContact N-O 3.37Å; Q313-P489 WeakPolarHBondContact O-CA 3.31Å; Q313-Y490 PolarHBondContact O-N 2.84Å
314	Y	97.9	Very high	95.4	Very high	6 Å²	6	62.9 Å²	62.9	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.9	-174.2	70.2	-97.2	0	0	0	112.6	T249 S328 Y329 T343 A368 Y490 F492	T249-Y314 PolarHBondContact N-OH 3.08Å; T249-Y314 PolarHBondContact OG1-OH 3.01Å; Y314-S328 VanDerWaalsContact CE2-C 3.45Å; Y314-Y329 AromaticContact CE1-CD2 3.78Å; Y314-Y329 HydrophobicContact CE1-CD2 3.78Å; Y314-Y329 HydrophobicContact CE1-CG 4.24Å; Y314-Y329 AromaticContact CZ-CD2 3.99Å; Y314-Y329 PolarHBondContact O-N 3.11Å; Y314-Y329 VanDerWaalsContact O-N 3.16Å; Y314-T343 HydrophobicContact CD1-CG2 3.74Å; Y314-T343 WeakPolarHBondContact CD1-OG1 3.42Å; Y314-T343 HydrophobicContact CE1-CG2 3.78Å; Y314-T343 PolarHBondContact N-OG1 3.19Å; Y314-T343 VanDerWaalsContact N-OG1 3.07Å; Y314-A368 HydrophobicContact CD1-CB 3.68Å; Y314-A368 HydrophobicContact CD2-CB 4.02Å; Y314-A368 HydrophobicContact CE1-CB 4.21Å; Y314-A368 HydrophobicContact CG-CB 3.6Å; Y314-Y490 CarbonylContact C-O 3.59Å; Y314-Y490 VanDerWaalsContact CA-O 3.23Å; Y314-Y490 WeakPolarHBondContact CA-O 3.4Å; Y314-F492 AromaticContact CD2-CD2 3.81Å; Y314-F492 HydrophobicContact CD2-CD2 3.81Å; Y314-F492 HydrophobicContact CD2-CE2 4.45Å; Y314-F492 AromaticContact CE2-CD2 3.99Å; Y314-F492 HydrophobicContact CE2-CD2 3.99Å; Y314-F492 HydrophobicContact CE2-CE2 4.26Å
315	I	97.5	Very high	95.3	Very high	78 Å²	78	64.5 Å²	64.5	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.2	171.3	61.2	170.4	0	0	0	110.3	N317 P489 Y490 F492	I315-N317 PolarHBondContact O-N 3.07Å; I315-P489 HydrophobicContact CD1-CB 4.39Å; I315-P489 HydrophobicContact CG2-CB 4.13Å; I315-Y490 WeakPolarHBondContact CG1-O 3.26Å; I315-Y490 PolarHBondContact N-O 2.75Å; I315-F492 PolarHBondContact O-N 3.21Å
316	G	96.4	Very high	95.2	Very high	13 Å²	13	66 Å²	66	13%	0.134	32%	0.321	C	S	.	.			trans	-59.4	134.8	-177.6	0	0	0	0	0	113.3	K318 R326 L327 S328	G316-K318 PolarHBondContact O-N 2.96Å; G316-R326 WeakPolarHBondContact CA-O 3.43Å; G316-L327 WeakPolarHBondContact CA-O 3.45Å; G316-S328 PolarHBondContact N-OG 2.79Å
317	N	96.5	Very high	95.2	Very high	31 Å²	31	66.1 Å²	66.1	17%	0.166	32%	0.321	C	S	.	.			trans	-86.5	93.1	171.8	-178.6	8.1	0	0	0	110.1	I315 S319 S320 E325 R326 M491 F492	I315-N317 PolarHBondContact O-N 3.07Å; N317-S319 PolarHBondContact O-N 3.02Å; N317-S319 PolarHBondContact OD1-N 3.31Å; N317-S319 PolarHBondContact OD1-OG 2.97Å; N317-S320 WeakPolarHBondContact O-CB 3.4Å; N317-S320 PolarHBondContact O-N 2.88Å; N317-E325 PolarHBondContact N-O 2.91Å; N317-R326 VanDerWaalsContact O-CG 3.3Å; N317-R326 WeakPolarHBondContact O-CG 3.48Å; N317-M491 HydrophobicContact CB-CG 3.81Å; N317-M491 HydrophobicContact CB-SD 4.25Å; N317-F492 HydrophobicContact CB-CB 4.16Å
318	K	92.3	Very high	95.3	Very high	193 Å²	193	60.6 Å²	60.6	84%	0.839	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.3	-176.4	-63.9	-173	-179.7	-177.5	0	114.8	G316	G316-K318 PolarHBondContact O-N 2.96Å
319	S	93.3	Very high	95.3	Very high	102 Å²	102	59.7 Å²	59.7	71%	0.713	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.2	177.5	62.9	0	0	0	0	114	N317	N317-S319 PolarHBondContact O-N 3.02Å; N317-S319 PolarHBondContact OD1-N 3.31Å; N317-S319 PolarHBondContact OD1-OG 2.97Å
320	S	92	Very high	95.2	Very high	16 Å²	16	63.2 Å²	63.2	11%	0.112	31%	0.306	C	S	.	.			trans	-74.5	138.3	176.6	-176.3	0	0	0	0	111.9	N317 R322 E325 R326	N317-S320 WeakPolarHBondContact O-CB 3.4Å; N317-S320 PolarHBondContact O-N 2.88Å; S320-R322 PolarHBondContact O-N 2.9Å; S320-R322 PolarHBondContact OG-N 3.06Å; S320-E325 WeakPolarHBondContact CB-OE2 3.47Å; S320-E325 WeakPolarHBondContact OG-CB 3.14Å; S320-E325 PolarHBondContact OG-OE2 3.2Å; S320-R326 WeakPolarHBondContact O-CD 3.35Å; S320-R326 WeakPolarHBondContact O-CG 3.45Å; S320-R326 PolarHBondContact O-NE 2.78Å
321	D	91.4	Very high	95	Very high	154 Å²	154	66.8 Å²	66.8	82%	0.824	33%	0.325	S	S	*	.	S	Bend	trans	-65.6	-27.6	173.2	-63.5	-39.6	0	0	0	111.7	R326	D321-R326 PolarHBondContact O-NH2 3.22Å
322	R	90.4	Very high	94.8	Very high	158 Å²	158	66.4 Å²	66.4	60%	0.596	32%	0.323	S	S	*	.	S	Bend	trans	-85.4	129.3	-177	-64.7	178.2	-177.7	176.5	-6.1	111	S320 E324 E325 R326	S320-R322 PolarHBondContact O-N 2.9Å; S320-R322 PolarHBondContact OG-N 3.06Å; R322-E324 PolarHBondContact O-N 3.45Å; R322-E325 HydrophobicContact CB-CB 4.29Å; R322-E325 HydrophobicContact CB-CG 3.87Å; R322-E325 VanDerWaalsContact CD-OE1 3.26Å; R322-E325 WeakPolarHBondContact CD-OE1 3.32Å; R322-E325 IonicContact CZ-OE1 2.69Å; R322-E325 IonicContact NE-OE1 3.03Å; R322-E325 IonicContact NH1-OE1 2.73Å; R322-E325 PolarHBondContact NH1-OE1 3.49Å; R322-E325 VanDerWaalsContact NH1-OE1 3.08Å; R322-E325 PolarHBondContact O-N 3.03Å; R322-R326 PolarHBondContact O-N 3.23Å
323	E	91.5	Very high	94.6	Very high	148 Å²	148	71.7 Å²	71.7	69%	0.692	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-45.9	-176.9	-173.8	174.9	-174.6	0	0	112.5	E325 R326	E323-E325 VanDerWaalsContact C-N 3.28Å; E323-E325 PolarHBondContact O-N 2.71Å; E323-R326 WeakPolarHBondContact O-CB 3.3Å; E323-R326 PolarHBondContact O-N 3.31Å
324	E	90.1	Very high	94.4	Very high	76 Å²	76	76 Å²	76	36%	0.355	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-59	-38.6	178.8	-170.4	-171.7	164.2	0	0	112.3	R322 R326 L327	R322-E324 PolarHBondContact O-N 3.45Å; E324-R326 PolarHBondContact O-N 3.25Å; E324-L327 WeakPolarHBondContact O-CB 3.45Å; E324-L327 PolarHBondContact O-N 3.13Å; E324-L327 VanDerWaalsContact O-N 3.13Å
325	E	94.6	Very high	94.3	Very high	41 Å²	41	76.2 Å²	76.2	19%	0.192	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-72	-19.1	-178.9	-57.8	-173.1	-179.7	0	0	112.4	N317 S320 R322 E323 L327 F492	N317-E325 PolarHBondContact N-O 2.91Å; S320-E325 WeakPolarHBondContact CB-OE2 3.47Å; S320-E325 WeakPolarHBondContact OG-CB 3.14Å; S320-E325 PolarHBondContact OG-OE2 3.2Å; R322-E325 HydrophobicContact CB-CB 4.29Å; R322-E325 HydrophobicContact CB-CG 3.87Å; R322-E325 VanDerWaalsContact CD-OE1 3.26Å; R322-E325 WeakPolarHBondContact CD-OE1 3.32Å; R322-E325 IonicContact CZ-OE1 2.69Å; R322-E325 IonicContact NE-OE1 3.03Å; R322-E325 IonicContact NH1-OE1 2.73Å; R322-E325 PolarHBondContact NH1-OE1 3.49Å; R322-E325 VanDerWaalsContact NH1-OE1 3.08Å; R322-E325 PolarHBondContact O-N 3.03Å; E323-E325 VanDerWaalsContact C-N 3.28Å; E323-E325 PolarHBondContact O-N 2.71Å; E325-L327 VanDerWaalsContact C-N 3.29Å; E325-F492 HydrophobicContact CB-CD1 3.82Å; E325-F492 HydrophobicContact CB-CE1 4.09Å; E325-F492 HydrophobicContact CB-CG 4.16Å; E325-F492 HydrophobicContact CG-CD1 3.8Å; E325-F492 HydrophobicContact CG-CE1 3.58Å; E325-F492 HydrophobicContact CG-CZ 4.1Å; E325-F492 WeakPolarHBondContact O-CB 3.13Å
326	R	96.1	Very high	94.1	Very high	119 Å²	119	75.1 Å²	75.1	45%	0.449	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-79.5	-11.4	173.5	-72.2	-175.4	-105.4	152.8	-3.4	112.9	G316 N317 S320 D321 R322 E323 E324	G316-R326 WeakPolarHBondContact CA-O 3.43Å; N317-R326 VanDerWaalsContact O-CG 3.3Å; N317-R326 WeakPolarHBondContact O-CG 3.48Å; S320-R326 WeakPolarHBondContact O-CD 3.35Å; S320-R326 WeakPolarHBondContact O-CG 3.45Å; S320-R326 PolarHBondContact O-NE 2.78Å; D321-R326 PolarHBondContact O-NH2 3.22Å; R322-R326 PolarHBondContact O-N 3.23Å; E323-R326 WeakPolarHBondContact O-CB 3.3Å; E323-R326 PolarHBondContact O-N 3.31Å; E324-R326 PolarHBondContact O-N 3.25Å
327	L	95.6	Very high	93.9	Very high	41 Å²	41	82.6 Å²	82.6	22%	0.215	42%	0.416	C	S	.	.			trans	-92.8	138.1	-179.1	-58.9	172.6	0	0	0	110.9	Y250 G316 E324 E325 D331	Y250-L327 HydrophobicContact CD2-CD1 3.68Å; Y250-L327 HydrophobicContact CE1-CD1 4.42Å; Y250-L327 HydrophobicContact CE2-CD1 3.47Å; Y250-L327 VanDerWaalsContact CE2-CD1 3.47Å; Y250-L327 HydrophobicContact CG-CD1 4.26Å; G316-L327 WeakPolarHBondContact CA-O 3.45Å; E324-L327 WeakPolarHBondContact O-CB 3.45Å; E324-L327 PolarHBondContact O-N 3.13Å; E324-L327 VanDerWaalsContact O-N 3.13Å; E325-L327 VanDerWaalsContact C-N 3.29Å; L327-D331 HydrophobicContact CB-CB 4.18Å; L327-D331 HydrophobicContact CD2-CB 4.09Å
328	S	96.6	Very high	93.8	Very high	30 Å²	30	89.6 Å²	89.6	21%	0.21	45%	0.445	C	S	.	.			trans	-82.5	165	171.6	-44.6	0	0	0	0	110.3	Y314 G316 R330 D331	Y314-S328 VanDerWaalsContact CE2-C 3.45Å; G316-S328 PolarHBondContact N-OG 2.79Å; S328-R330 PolarHBondContact O-N 3.12Å; S328-D331 WeakPolarHBondContact CA-OD2 3.44Å; S328-D331 WeakPolarHBondContact CB-OD2 3.49Å; S328-D331 PolarHBondContact N-OD2 3.38Å; S328-D331 WeakPolarHBondContact O-CB 3.41Å; S328-D331 PolarHBondContact O-N 2.99Å; S328-D331 PolarHBondContact OG-OD2 2.98Å
329	Y	97.1	Very high	94	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-56	-39.4	176.4	179.7	-112.6	0	0	0	112.8	T249 F256 D257 Q313 Y314 D331 D332 V335 T343	T249-Y329 HydrophobicContact CG2-CE2 4.22Å; T249-Y329 WeakPolarHBondContact OG1-CD2 3.43Å; T249-Y329 WeakPolarHBondContact OG1-CE2 3.34Å; F256-Y329 AromaticContact CD1-CE2 3.91Å; F256-Y329 HydrophobicContact CD1-CE2 3.91Å; F256-Y329 HydrophobicContact CE1-CE2 4.47Å; D257-Y329 VanDerWaalsContact CA-OH 3.29Å; D257-Y329 WeakPolarHBondContact CA-OH 3.29Å; D257-Y329 WeakPolarHBondContact CB-OH 3.16Å; D257-Y329 PolarHBondContact N-OH 3.46Å; D257-Y329 PolarHBondContact OD1-OH 3.41Å; D257-Y329 VanDerWaalsContact OD1-OH 3.04Å; Q313-Y329 HydrophobicContact CG-CD1 3.89Å; Q313-Y329 HydrophobicContact CG-CG 4.16Å; Y314-Y329 AromaticContact CE1-CD2 3.78Å; Y314-Y329 HydrophobicContact CE1-CD2 3.78Å; Y314-Y329 HydrophobicContact CE1-CG 4.24Å; Y314-Y329 AromaticContact CZ-CD2 3.99Å; Y314-Y329 PolarHBondContact O-N 3.11Å; Y314-Y329 VanDerWaalsContact O-N 3.16Å; Y329-D331 VanDerWaalsContact C-N 3.29Å; Y329-D331 PolarHBondContact O-N 3.13Å; Y329-D332 PolarHBondContact O-N 3.25Å; Y329-V335 HydrophobicContact CD1-CG1 3.96Å; Y329-V335 HydrophobicContact CE1-CG1 3.52Å; Y329-V335 HydrophobicContact CE1-CG2 4.3Å; Y329-V335 HydrophobicContact CE2-CG2 4.08Å; Y329-T343 HydrophobicContact CD1-CG2 4.2Å; Y329-T343 HydrophobicContact CD2-CG2 3.46Å; Y329-T343 VanDerWaalsContact CD2-CG2 3.46Å; Y329-T343 HydrophobicContact CE1-CG2 4.47Å; Y329-T343 HydrophobicContact CE2-CG2 3.82Å; Y329-T343 HydrophobicContact CG-CG2 3.68Å
330	R	96.2	Very high	94.1	Very high	90 Å²	90	80.9 Å²	80.9	34%	0.34	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-79.3	-6.4	179.5	-64	174.8	178.3	176.6	1.4	114.4	S328 D332 E337 S339	S328-R330 PolarHBondContact O-N 3.12Å; R330-D332 VanDerWaalsContact C-N 3.26Å; R330-E337 WeakPolarHBondContact CD-O 3.3Å; R330-S339 VanDerWaalsContact CZ-O 3.28Å; R330-S339 PolarHBondContact NE-O 3.23Å; R330-S339 PolarHBondContact NH2-O 3Å
331	D	95.3	Very high	94.4	Very high	83 Å²	83	81.1 Å²	81.1	44%	0.444	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-81.8	-9.2	174.8	-62.2	-33.1	0	0	0	111.4	L327 S328 Y329	L327-D331 HydrophobicContact CB-CB 4.18Å; L327-D331 HydrophobicContact CD2-CB 4.09Å; S328-D331 WeakPolarHBondContact CA-OD2 3.44Å; S328-D331 WeakPolarHBondContact CB-OD2 3.49Å; S328-D331 PolarHBondContact N-OD2 3.38Å; S328-D331 WeakPolarHBondContact O-CB 3.41Å; S328-D331 PolarHBondContact O-N 2.99Å; S328-D331 PolarHBondContact OG-OD2 2.98Å; Y329-D331 VanDerWaalsContact C-N 3.29Å; Y329-D331 PolarHBondContact O-N 3.13Å
332	D	94.2	Very high	94.7	Very high	2 Å²	2	74.4 Å²	74.4	1%	0.011	36%	0.358	C	S	.	.	S	Bend	trans	-72.5	119.9	169.1	-174.7	-24.5	0	0	0	109.7	Y250 G251 G253 Y329 R330 L334 V335	Y250-D332 WeakPolarHBondContact CA-OD2 3.37Å; Y250-D332 HydrophobicContact CD2-CB 4Å; Y250-D332 HydrophobicContact CE2-CB 4.33Å; G251-D332 PolarHBondContact N-OD2 3.18Å; G253-D332 WeakPolarHBondContact CA-OD2 3.31Å; G253-D332 PolarHBondContact N-OD2 2.65Å; Y329-D332 PolarHBondContact O-N 3.25Å; R330-D332 VanDerWaalsContact C-N 3.26Å; D332-L334 PolarHBondContact O-N 2.9Å; D332-L334 VanDerWaalsContact OD1-CB 3.32Å; D332-L334 WeakPolarHBondContact OD1-CB 3.28Å; D332-L334 PolarHBondContact OD1-N 3.43Å; D332-V335 HydrophobicContact CB-CB 4.41Å; D332-V335 HydrophobicContact CB-CG2 3.87Å; D332-V335 PolarHBondContact O-N 3.15Å
333	P	93.9	Very high	95	Very high	111 Å²	111	66.9 Å²	66.9	72%	0.721	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	-177.8	27.7	-36.4	0	0	0	114.1
334	L	94.4	Very high	95.4	Very high	104 Å²	104	59.9 Å²	59.9	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.8	174.9	-57	177.1	0	0	0	113.1	G254 D332	G254-L334 WeakPolarHBondContact CA-O 3.45Å; D332-L334 PolarHBondContact O-N 2.9Å; D332-L334 VanDerWaalsContact OD1-CB 3.32Å; D332-L334 WeakPolarHBondContact OD1-CB 3.28Å; D332-L334 PolarHBondContact OD1-N 3.43Å
335	V	94.9	Very high	95.8	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.067	28%	0.28	C	S	.	.	S	Bend	trans	-99	141.1	-179.4	176.7	0	0	0	0	109.8	G253 Y329 D332 E337	G253-V335 VanDerWaalsContact C-CG2 3.49Å; G253-V335 VanDerWaalsContact CA-CG2 3.5Å; Y329-V335 HydrophobicContact CD1-CG1 3.96Å; Y329-V335 HydrophobicContact CE1-CG1 3.52Å; Y329-V335 HydrophobicContact CE1-CG2 4.3Å; Y329-V335 HydrophobicContact CE2-CG2 4.08Å; D332-V335 HydrophobicContact CB-CB 4.41Å; D332-V335 HydrophobicContact CB-CG2 3.87Å; D332-V335 PolarHBondContact O-N 3.15Å; V335-E337 PolarHBondContact O-N 3.34Å
336	A	94	Very high	96	Very high	55 Å²	55	54.3 Å²	54.3	46%	0.455	27%	0.271	S	S	.	.			trans	-63.4	136.2	176.2	0	0	0	0	0	111.5	K338 S339	A336-K338 PolarHBondContact O-N 2.81Å; A336-S339 VanDerWaalsContact O-CB 3.24Å; A336-S339 WeakPolarHBondContact O-CB 3.34Å; A336-S339 PolarHBondContact O-N 3.18Å
337	E	92.8	Very high	96.1	Very high	169 Å²	169	48.7 Å²	48.7	79%	0.79	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.6	-176.9	-68.6	-175.8	169.4	0	0	114.2	R330 V335	R330-E337 WeakPolarHBondContact CD-O 3.3Å; V335-E337 PolarHBondContact O-N 3.34Å
338	K	93.5	Very high	96.2	Very high	178 Å²	178	46.8 Å²	46.8	77%	0.774	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	18.1	-179.7	-64.3	-177.8	-178.8	175	0	113.1	A336 R340	A336-K338 PolarHBondContact O-N 2.81Å; K338-R340 PolarHBondContact O-N 3.46Å
339	S	95.9	Very high	96.3	Very high	8 Å²	8	45.7 Å²	45.7	6%	0.056	23%	0.232	C	C	.	.			trans	-54.3	131	-178.7	170.2	0	0	0	0	111.5	D257 Q313 R330 A336 T341	D257-S339 WeakPolarHBondContact OD1-CB 3.45Å; D257-S339 PolarHBondContact OD1-OG 3.48Å; Q313-S339 PolarHBondContact NE2-O 3.32Å; Q313-S339 VanDerWaalsContact NE2-O 3.12Å; R330-S339 VanDerWaalsContact CZ-O 3.28Å; R330-S339 PolarHBondContact NE-O 3.23Å; R330-S339 PolarHBondContact NH2-O 3Å; A336-S339 VanDerWaalsContact O-CB 3.24Å; A336-S339 WeakPolarHBondContact O-CB 3.34Å; A336-S339 PolarHBondContact O-N 3.18Å; S339-T341 WeakPolarHBondContact OG-CB 3.43Å; S339-T341 PolarHBondContact OG-N 3.27Å; S339-T341 VanDerWaalsContact OG-N 3.1Å; S339-T341 PolarHBondContact OG-OG1 2.7Å
340	R	96.3	Very high	96.3	Very high	105 Å²	105	48.9 Å²	48.9	40%	0.396	24%	0.244	S	C	.	.			trans	-103.9	13.3	173.2	-61.5	-174.1	-176.6	-167.2	0.7	111.7	K338 P342 Q484	K338-R340 PolarHBondContact O-N 3.46Å; R340-P342 WeakPolarHBondContact O-CD 3.29Å; R340-Q484 WeakPolarHBondContact CD-O 3.31Å; R340-Q484 VanDerWaalsContact NH1-CB 3.29Å; R340-Q484 PolarHBondContact NH1-O 3.43Å
341	T	97.1	Very high	96.4	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.129	23%	0.228	C	C	.	.			trans	-62.8	124.5	-177.6	-59.6	0	0	0	0	110.5	F256 D257 G260 Q313 S339 T343	F256-T341 HydrophobicContact CD1-CG2 4.33Å; F256-T341 HydrophobicContact CE1-CG2 4.21Å; D257-T341 PolarHBondContact O-OG1 2.95Å; D257-T341 WeakPolarHBondContact OD1-CB 3.29Å; D257-T341 PolarHBondContact OD1-OG1 3.3Å; G260-T341 VanDerWaalsContact CA-CG2 3.44Å; Q313-T341 PolarHBondContact NE2-O 2.95Å; S339-T341 WeakPolarHBondContact OG-CB 3.43Å; S339-T341 PolarHBondContact OG-N 3.27Å; S339-T341 VanDerWaalsContact OG-N 3.1Å; S339-T341 PolarHBondContact OG-OG1 2.7Å; T341-T343 PolarHBondContact O-N 3.22Å
342	P	97.9	Very high	96.5	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.084	22%	0.224	C	C	.	.			trans	-72.9	127.6	177.7	28.3	-32.8	0	0	0	110.8	I261 L311 G312 R340	I261-P342 WeakPolarHBondContact CB-O 3.43Å; I261-P342 HydrophobicContact CG2-CB 4.2Å; I261-P342 HydrophobicContact CG2-CG 4.36Å; I261-P342 WeakPolarHBondContact CG2-O 3.27Å; I261-P342 PolarHBondContact N-O 3.35Å; I261-P342 VanDerWaalsContact N-O 3.08Å; L311-P342 HydrophobicContact CB-CB 4.15Å; L311-P342 HydrophobicContact CD2-CB 4.05Å; L311-P342 HydrophobicContact CD2-CG 4.22Å; G312-P342 CarbonylContact O-C 3.56Å; G312-P342 WeakPolarHBondContact O-CA 3.33Å; R340-P342 WeakPolarHBondContact O-CD 3.29Å
343	T	98.2	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-94.9	-7.2	169.6	63.3	0	0	0	0	112	F256 G312 Q313 Y314 Y329 T341 G366 K367 Y490	F256-T343 HydrophobicContact CE1-CG2 4.01Å; G312-T343 PolarHBondContact O-N 2.98Å; G312-T343 PolarHBondContact O-OG1 3.13Å; Q313-T343 WeakPolarHBondContact CA-OG1 3.4Å; Q313-T343 HydrophobicContact CG-CG2 4.41Å; Y314-T343 HydrophobicContact CD1-CG2 3.74Å; Y314-T343 WeakPolarHBondContact CD1-OG1 3.42Å; Y314-T343 HydrophobicContact CE1-CG2 3.78Å; Y314-T343 PolarHBondContact N-OG1 3.19Å; Y314-T343 VanDerWaalsContact N-OG1 3.07Å; Y329-T343 HydrophobicContact CD1-CG2 4.2Å; Y329-T343 HydrophobicContact CD2-CG2 3.46Å; Y329-T343 VanDerWaalsContact CD2-CG2 3.46Å; Y329-T343 HydrophobicContact CE1-CG2 4.47Å; Y329-T343 HydrophobicContact CE2-CG2 3.82Å; Y329-T343 HydrophobicContact CG-CG2 3.68Å; T341-T343 PolarHBondContact O-N 3.22Å; T343-G366 CarbonylContact O-C 3.57Å; T343-G366 WeakPolarHBondContact O-CA 3.26Å; T343-K367 PolarHBondContact O-N 2.79Å; T343-Y490 PolarHBondContact O-OH 2.96Å; T343-Y490 PolarHBondContact OG1-OH 3.06Å
344	Y	98.7	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.8	174.5	175.3	-77.3	0	0	0	109.8	G312 L346 R364 C365 L369 Y490 P497 S500	G312-Y344 PolarHBondContact N-O 3.32Å; G312-Y344 PolarHBondContact O-N 3.08Å; Y344-L346 HydrophobicContact CE1-CB 4.17Å; Y344-R364 HydrophobicContact CE2-CG 4.14Å; Y344-R364 WeakPolarHBondContact OH-CG 3.35Å; Y344-R364 PolarHBondContact OH-NE 2.79Å; Y344-C365 CarbonylContact C-O 3.53Å; Y344-C365 VanDerWaalsContact CA-O 3.31Å; Y344-C365 WeakPolarHBondContact CA-O 3.47Å; Y344-L369 HydrophobicContact CD2-CD1 4.2Å; Y344-L369 HydrophobicContact CD2-CD2 4.07Å; Y344-L369 HydrophobicContact CE2-CD1 4.38Å; Y344-L369 HydrophobicContact CE2-CD2 4.5Å; Y344-Y490 VanDerWaalsContact CB-CE1 3.41Å; Y344-Y490 HydrophobicContact CG-CE1 4.31Å; Y344-P497 VanDerWaalsContact CD1-CD 3.49Å; Y344-P497 HydrophobicContact CD1-CG 3.95Å; Y344-P497 HydrophobicContact CE1-CG 4.23Å; Y344-P497 HydrophobicContact CG-CG 4.49Å; Y344-S500 WeakPolarHBondContact CE1-OG 3.4Å; Y344-S500 WeakPolarHBondContact OH-CB 3.34Å; Y344-S500 PolarHBondContact OH-OG 3.43Å
345	A	98.7	Very high	97.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.6	169.4	0	0	0	0	0	111.3	I261 I262 M266 V310 L311 R364 C365	I261-A345 HydrophobicContact CG2-CB 3.64Å; I262-A345 HydrophobicContact CD1-CB 4.47Å; I262-A345 HydrophobicContact CG1-CB 3.91Å; M266-A345 HydrophobicContact CE-CB 3.58Å; V310-A345 CarbonylContact O-C 3.55Å; V310-A345 VanDerWaalsContact O-CA 3.26Å; V310-A345 WeakPolarHBondContact O-CA 3.33Å; L311-A345 HydrophobicContact CD2-CB 4.07Å; A345-R364 WeakPolarHBondContact O-CA 3.4Å; A345-C365 PolarHBondContact N-O 3.21Å; A345-C365 PolarHBondContact O-N 2.53Å
346	L	98.6	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.3	159.8	175.7	79.9	0	0	0	107.2	V309 V310 Y344 F362 L363 R364 S500 I503 M504	V309-L346 CarbonylContact C-O 3.57Å; V309-L346 VanDerWaalsContact CA-O 3.22Å; V309-L346 WeakPolarHBondContact CA-O 3.21Å; V310-L346 HydrophobicContact CB-CB 4.26Å; V310-L346 HydrophobicContact CG2-CD2 4.45Å; V310-L346 PolarHBondContact N-O 3.2Å; V310-L346 PolarHBondContact O-N 3.13Å; Y344-L346 HydrophobicContact CE1-CB 4.17Å; L346-F362 HydrophobicContact CD1-CB 4.15Å; L346-L363 CarbonylContact C-O 3.56Å; L346-L363 VanDerWaalsContact CA-O 3.3Å; L346-L363 WeakPolarHBondContact CA-O 3.22Å; L346-R364 HydrophobicContact CD1-CB 3.8Å; L346-R364 HydrophobicContact CD1-CG 4.22Å; L346-S500 VanDerWaalsContact CD2-O 3.23Å; L346-S500 WeakPolarHBondContact CD2-O 3.19Å; L346-I503 HydrophobicContact CD2-CB 4.08Å; L346-I503 HydrophobicContact CD2-CG2 3.97Å; L346-M504 HydrophobicContact CD1-CG 4.02Å; L346-M504 HydrophobicContact CD1-SD 3.99Å; L346-M504 HydrophobicContact CD2-CG 3.75Å; L346-M504 HydrophobicContact CD2-SD 4.48Å
347	A	98.4	Very high	97.4	Very high	1 Å²	1	48 Å²	48	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.6	168.4	0	0	0	0	0	109.8	M266 V304 V309 F362 L363	M266-A347 HydrophobicContact CE-CB 4.15Å; M266-A347 HydrophobicContact SD-CB 3.7Å; V304-A347 HydrophobicContact CG1-CB 4.09Å; V309-A347 HydrophobicContact CG2-CB 4.03Å; A347-F362 WeakPolarHBondContact O-CA 3.46Å; A347-L363 PolarHBondContact N-O 3.31Å; A347-L363 PolarHBondContact O-N 3.43Å
348	A	98.1	Very high	97.6	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130	164.6	0	0	0	0	0	109.3	D308 W350 F362	D308-A348 HydrophobicContact CB-CB 4.24Å; D308-A348 PolarHBondContact O-N 2.89Å; A348-W350 HydrophobicContact CB-CH2 3.9Å; A348-W350 HydrophobicContact CB-CZ2 4.45Å; A348-W350 HydrophobicContact CB-CZ3 4.29Å; A348-F362 HydrophobicContact CB-CD1 3.89Å; A348-F362 HydrophobicContact CB-CE1 3.86Å
349	C	97.2	Very high	97.9	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.7	179.9	-52.7	0	0	0	0	109.7	F361	C349-F361 PolarHBondContact N-O 2.82Å; C349-F361 PolarHBondContact O-N 3.07Å
350	W	98.2	Very high	98	Very high	68 Å²	68	33.7 Å²	33.7	26%	0.258	17%	0.168	S	C	.	.			trans	-125.3	149	174.1	-65.8	-95.3	0	0	0	110.1	D308 A348 H507	D308-W350 HydrophobicContact CB-CH2 4.32Å; D308-W350 HydrophobicContact CB-CZ3 4.22Å; A348-W350 HydrophobicContact CB-CH2 3.9Å; A348-W350 HydrophobicContact CB-CZ2 4.45Å; A348-W350 HydrophobicContact CB-CZ3 4.29Å; W350-H507 AromaticContact CH2-CE1 3.69Å; W350-H507 AromaticContact CH2-NE2 3.65Å; W350-H507 AromaticContact CZ2-CE1 3.65Å; W350-H507 AromaticContact CZ2-ND1 3.78Å; W350-H507 AromaticContact CZ2-NE2 3.95Å
351	I	98.6	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-112.1	106	176.6	-52.1	173.7	0	0	0	106.3	L274 A278 V297 C300 I301 N353 W356 F361	L274-I351 HydrophobicContact CD2-CD1 4Å; A278-I351 HydrophobicContact CB-CD1 3.34Å; V297-I351 HydrophobicContact CG1-CD1 3.98Å; V297-I351 HydrophobicContact CG1-CG2 4.21Å; C300-I351 HydrophobicContact CB-CG2 3.87Å; I301-I351 HydrophobicContact CD1-CG1 4.15Å; I301-I351 HydrophobicContact CG1-CB 4.47Å; I301-I351 HydrophobicContact CG1-CG1 3.91Å; I351-N353 PolarHBondContact O-N 3.48Å; I351-W356 HydrophobicContact CB-CB 3.77Å; I351-W356 HydrophobicContact CB-CG 4.25Å; I351-W356 HydrophobicContact CD1-CG 4.2Å; I351-W356 HydrophobicContact CG2-CB 4.26Å; I351-W356 HydrophobicContact CG2-CG 4.48Å; I351-W356 CarbonylContact O-C 3.57Å; I351-F361 HydrophobicContact CD1-CD1 4.36Å; I351-F361 HydrophobicContact CD1-CD2 3.86Å; I351-F361 HydrophobicContact CD1-CE1 4.03Å; I351-F361 HydrophobicContact CD1-CE2 3.5Å; I351-F361 VanDerWaalsContact CD1-CE2 3.5Å; I351-F361 HydrophobicContact CD1-CG 4.29Å; I351-F361 HydrophobicContact CD1-CZ 3.59Å; I351-F361 HydrophobicContact CG1-CD2 4.12Å; I351-F361 HydrophobicContact CG1-CE2 4.11Å
352	N	98	Very high	98.2	Very high	68 Å²	68	27.7 Å²	27.7	36%	0.364	14%	0.143	S	C	.	.			trans	-79.7	70.8	-173.5	-59.5	-28.9	0	0	0	110.5	C300 D302	C300-N352 WeakPolarHBondContact O-CB 3.39Å; C300-N352 PolarHBondContact O-N 3.14Å; D302-N352 PolarHBondContact OD2-ND2 2.97Å
353	N	97.9	Very high	98.2	Very high	33 Å²	33	27.1 Å²	27.1	18%	0.176	14%	0.139	C	C	.	.	S	Bend	trans	-144.8	168.2	174.1	74.3	20.7	0	0	0	111.4	C300 I351 R355 W356 E357	C300-N353 HydrophobicContact CB-CB 4.45Å; I351-N353 PolarHBondContact O-N 3.48Å; N353-R355 VanDerWaalsContact C-N 3.27Å; N353-R355 PolarHBondContact O-N 3.26Å; N353-R355 PolarHBondContact OD1-N 2.93Å; N353-W356 PolarHBondContact O-N 2.84Å; N353-W356 PolarHBondContact OD1-N 2.83Å; N353-E357 WeakPolarHBondContact O-CB 3.46Å; N353-E357 PolarHBondContact O-N 3.24Å
354	E	97.7	Very high	98.2	Very high	184 Å²	184	27.7 Å²	27.7	86%	0.86	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.7	-176	-176	178.3	-167.8	0	0	113.6	R233	R233-E354 WeakPolarHBondContact CD-O 3.49Å
355	R	98.1	Very high	98.2	Very high	63 Å²	63	27.7 Å²	27.7	24%	0.238	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-37.2	-176.8	-178.5	177.3	-62.7	-73.4	-6	112.7	W231 N232 R233 E280 N353	W231-R355 WeakPolarHBondContact O-CD 3.29Å; W231-R355 PolarHBondContact O-NH1 3.14Å; N232-R355 HydrophobicContact CB-CG 4.04Å; R233-R355 WeakPolarHBondContact CB-O 3.29Å; R233-R355 PolarHBondContact N-O 3.13Å; E280-R355 VanDerWaalsContact CD-NE 3.32Å; E280-R355 WeakPolarHBondContact OE1-CD 3.3Å; E280-R355 IonicContact OE1-CZ 3.96Å; E280-R355 IonicContact OE1-NE 3.34Å; E280-R355 PolarHBondContact OE1-NE 3.34Å; E280-R355 IonicContact OE1-NH2 3.78Å; E280-R355 IonicContact OE2-CZ 2.76Å; E280-R355 IonicContact OE2-NE 3.85Å; E280-R355 PolarHBondContact OE2-NE 3.21Å; E280-R355 IonicContact OE2-NH2 3.28Å; E280-R355 PolarHBondContact OE2-NH2 2.93Å; N353-R355 VanDerWaalsContact C-N 3.27Å; N353-R355 PolarHBondContact O-N 3.26Å; N353-R355 PolarHBondContact OD1-N 2.93Å
356	W	98.5	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-0.6	-165.5	-64.3	114.6	0	0	0	115	W231 I236 V239 A278 I351 N353 G358 V359 F361	W231-W356 AromaticContact CD1-CH2 3.64Å; W231-W356 AromaticContact CD1-CZ2 3.56Å; W231-W356 AromaticContact NE1-CH2 3.58Å; W231-W356 AromaticContact NE1-CZ2 3.59Å; I236-W356 HydrophobicContact CB-CZ3 4.35Å; I236-W356 HydrophobicContact CD1-CH2 3.68Å; I236-W356 HydrophobicContact CD1-CZ3 3.7Å; I236-W356 HydrophobicContact CG2-CZ3 4.21Å; V239-W356 HydrophobicContact CG2-CZ3 4.21Å; A278-W356 HydrophobicContact CB-CZ2 4.36Å; A278-W356 PolarHBondContact O-NE1 2.8Å; I351-W356 HydrophobicContact CB-CB 3.77Å; I351-W356 HydrophobicContact CB-CG 4.25Å; I351-W356 HydrophobicContact CD1-CG 4.2Å; I351-W356 HydrophobicContact CG2-CB 4.26Å; I351-W356 HydrophobicContact CG2-CG 4.48Å; I351-W356 CarbonylContact O-C 3.57Å; N353-W356 PolarHBondContact O-N 2.84Å; N353-W356 PolarHBondContact OD1-N 2.83Å; W356-G358 PolarHBondContact O-N 3.4Å; W356-G358 VanDerWaalsContact O-N 3.12Å; W356-V359 HydrophobicContact CE3-CB 4.19Å; W356-V359 HydrophobicContact CE3-CG1 4.14Å; W356-V359 HydrophobicContact CE3-CG2 4.34Å; W356-V359 HydrophobicContact CZ3-CG1 4.41Å; W356-V359 WeakPolarHBondContact O-CB 3.45Å; W356-V359 PolarHBondContact O-N 3.38Å; W356-F361 HydrophobicContact CB-CE2 4.39Å; W356-F361 AromaticContact CD2-CE2 3.79Å; W356-F361 HydrophobicContact CD2-CE2 3.79Å; W356-F361 AromaticContact CD2-CZ 3.7Å; W356-F361 HydrophobicContact CD2-CZ 3.7Å; W356-F361 AromaticContact CE2-CZ 3.96Å; W356-F361 AromaticContact CE3-CE2 3.58Å; W356-F361 HydrophobicContact CE3-CE2 3.58Å; W356-F361 AromaticContact CE3-CZ 3.58Å; W356-F361 HydrophobicContact CE3-CZ 3.58Å; W356-F361 HydrophobicContact CG-CE2 4.16Å; W356-F361 HydrophobicContact CG-CZ 4.35Å; W356-F361 HydrophobicContact CH2-CZ 4.02Å; W356-F361 HydrophobicContact CZ2-CZ 4.13Å; W356-F361 HydrophobicContact CZ3-CE2 4.12Å; W356-F361 AromaticContact CZ3-CZ 3.75Å; W356-F361 HydrophobicContact CZ3-CZ 3.75Å
357	E	97.7	Very high	98.2	Very high	89 Å²	89	28.5 Å²	28.5	42%	0.416	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46	118.5	179.3	-176.2	77	-159.4	0	0	112.2	R233 N353 V359	R233-E357 VanDerWaalsContact CZ-CB 3.49Å; R233-E357 VanDerWaalsContact CZ-O 3.25Å; R233-E357 PolarHBondContact NE-O 3.12Å; R233-E357 PolarHBondContact NH2-O 3.47Å; R233-E357 VanDerWaalsContact NH2-O 3.09Å; N353-E357 WeakPolarHBondContact O-CB 3.46Å; N353-E357 PolarHBondContact O-N 3.24Å; E357-V359 VanDerWaalsContact C-N 3.31Å; E357-V359 PolarHBondContact O-N 2.97Å
358	G	97.3	Very high	98.1	Very high	51 Å²	51	28.4 Å²	28.4	53%	0.526	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	2.6	179.8	0	0	0	0	0	116.2	W356	W356-G358 PolarHBondContact O-N 3.4Å; W356-G358 VanDerWaalsContact O-N 3.12Å
359	V	98.5	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.			trans	-89.9	117.4	173.6	-177.1	0	0	0	0	109.3	R233 I236 W356 E357 F361	R233-V359 HydrophobicContact CB-CG2 3.6Å; I236-V359 HydrophobicContact CG2-CG1 3.98Å; W356-V359 HydrophobicContact CE3-CB 4.19Å; W356-V359 HydrophobicContact CE3-CG1 4.14Å; W356-V359 HydrophobicContact CE3-CG2 4.34Å; W356-V359 HydrophobicContact CZ3-CG1 4.41Å; W356-V359 WeakPolarHBondContact O-CB 3.45Å; W356-V359 PolarHBondContact O-N 3.38Å; E357-V359 VanDerWaalsContact C-N 3.31Å; E357-V359 PolarHBondContact O-N 2.97Å; V359-F361 HydrophobicContact CG1-CE2 4.31Å
360	P	98.4	Very high	98.1	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	16%	0.155	C	C	.	.			trans	-74.5	136.9	175.7	32.9	-37.8	0	0	0	111.4	A237 V239 F362 H507	A237-P360 WeakPolarHBondContact O-CD 3.42Å; V239-P360 PolarHBondContact N-O 2.76Å; P360-F362 HydrophobicContact CB-CE1 4.19Å; P360-F362 HydrophobicContact CB-CE2 4.03Å; P360-F362 HydrophobicContact CB-CZ 3.75Å; P360-F362 HydrophobicContact CG-CE2 3.84Å; P360-F362 HydrophobicContact CG-CZ 3.8Å; P360-H507 HydrophobicContact CB-CB 4.34Å; P360-H507 HydrophobicContact CG-CB 4.48Å; P360-H507 WeakPolarHBondContact CG-O 3.49Å
361	F	98.7	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.3	167.4	-78.8	-107.7	0	0	0	109	V239 L274 V277 A278 C349 I351 W356 V359	V239-F361 HydrophobicContact CB-CD1 3.66Å; V239-F361 HydrophobicContact CB-CE1 3.68Å; V239-F361 HydrophobicContact CB-CG 4.13Å; V239-F361 HydrophobicContact CB-CZ 4.15Å; V239-F361 HydrophobicContact CG1-CD1 3.75Å; V239-F361 HydrophobicContact CG1-CE1 3.74Å; V239-F361 HydrophobicContact CG2-CD1 4.23Å; V239-F361 HydrophobicContact CG2-CE1 3.75Å; V239-F361 HydrophobicContact CG2-CE2 4.32Å; V239-F361 HydrophobicContact CG2-CZ 3.79Å; V239-F361 CarbonylContact O-C 3.49Å; V239-F361 WeakPolarHBondContact O-CA 3.17Å; L274-F361 HydrophobicContact CD1-CB 3.89Å; L274-F361 HydrophobicContact CD1-CD1 3.82Å; L274-F361 HydrophobicContact CD1-CG 4.09Å; L274-F361 HydrophobicContact CG-CD1 3.83Å; L274-F361 HydrophobicContact CG-CE1 4.29Å; V277-F361 HydrophobicContact CG1-CE1 4.04Å; A278-F361 HydrophobicContact CB-CE1 4.22Å; A278-F361 HydrophobicContact CB-CZ 4.13Å; C349-F361 PolarHBondContact N-O 2.82Å; C349-F361 PolarHBondContact O-N 3.07Å; I351-F361 HydrophobicContact CD1-CD1 4.36Å; I351-F361 HydrophobicContact CD1-CD2 3.86Å; I351-F361 HydrophobicContact CD1-CE1 4.03Å; I351-F361 HydrophobicContact CD1-CE2 3.5Å; I351-F361 VanDerWaalsContact CD1-CE2 3.5Å; I351-F361 HydrophobicContact CD1-CG 4.29Å; I351-F361 HydrophobicContact CD1-CZ 3.59Å; I351-F361 HydrophobicContact CG1-CD2 4.12Å; I351-F361 HydrophobicContact CG1-CE2 4.11Å; W356-F361 HydrophobicContact CB-CE2 4.39Å; W356-F361 AromaticContact CD2-CE2 3.79Å; W356-F361 HydrophobicContact CD2-CE2 3.79Å; W356-F361 AromaticContact CD2-CZ 3.7Å; W356-F361 HydrophobicContact CD2-CZ 3.7Å; W356-F361 AromaticContact CE2-CZ 3.96Å; W356-F361 AromaticContact CE3-CE2 3.58Å; W356-F361 HydrophobicContact CE3-CE2 3.58Å; W356-F361 AromaticContact CE3-CZ 3.58Å; W356-F361 HydrophobicContact CE3-CZ 3.58Å; W356-F361 HydrophobicContact CG-CE2 4.16Å; W356-F361 HydrophobicContact CG-CZ 4.35Å; W356-F361 HydrophobicContact CH2-CZ 4.02Å; W356-F361 HydrophobicContact CZ2-CZ 4.13Å; W356-F361 HydrophobicContact CZ3-CE2 4.12Å; W356-F361 AromaticContact CZ3-CZ 3.75Å; W356-F361 HydrophobicContact CZ3-CZ 3.75Å; V359-F361 HydrophobicContact CG1-CE2 4.31Å
362	F	98.6	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.5	176.8	-57.8	-69.5	0	0	0	110.3	V239 T240 I241 L346 A347 A348 P360 M504 H507 F509	V239-F362 PolarHBondContact O-N 3.03Å; T240-F362 CarbonylContact C-O 3.55Å; T240-F362 WeakPolarHBondContact CA-O 3.42Å; T240-F362 HydrophobicContact CG2-CB 4.3Å; I241-F362 PolarHBondContact N-O 3.46Å; L346-F362 HydrophobicContact CD1-CB 4.15Å; A347-F362 WeakPolarHBondContact O-CA 3.46Å; A348-F362 HydrophobicContact CB-CD1 3.89Å; A348-F362 HydrophobicContact CB-CE1 3.86Å; P360-F362 HydrophobicContact CB-CE1 4.19Å; P360-F362 HydrophobicContact CB-CE2 4.03Å; P360-F362 HydrophobicContact CB-CZ 3.75Å; P360-F362 HydrophobicContact CG-CE2 3.84Å; P360-F362 HydrophobicContact CG-CZ 3.8Å; F362-M504 HydrophobicContact CB-CE 4.22Å; F362-M504 HydrophobicContact CD1-CG 3.86Å; F362-M504 HydrophobicContact CD2-CE 4.03Å; F362-M504 HydrophobicContact CD2-CG 4.47Å; F362-M504 HydrophobicContact CE1-CB 4.35Å; F362-M504 HydrophobicContact CE1-CG 4.1Å; F362-M504 HydrophobicContact CG-CE 4.12Å; F362-M504 HydrophobicContact CG-CG 4.06Å; F362-M504 HydrophobicContact CZ-CB 4.38Å; F362-M504 HydrophobicContact CZ-CG 4.5Å; F362-H507 HydrophobicContact CE1-CB 3.86Å; F362-H507 HydrophobicContact CZ-CB 3.65Å; F362-F509 HydrophobicContact CE2-CB 3.81Å; F362-F509 HydrophobicContact CZ-CB 4.35Å
363	L	98.7	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.3	171.2	-54.5	-176.4	0	0	0	108	I241 M266 L270 L274 L346 A347 F473	I241-L363 HydrophobicContact CB-CD2 3.99Å; I241-L363 HydrophobicContact CD1-CD2 3.81Å; I241-L363 HydrophobicContact CG1-CD2 4.16Å; M266-L363 HydrophobicContact CE-CB 4.1Å; M266-L363 WeakPolarHBondContact CE-O 3.36Å; M266-L363 HydrophobicContact CG-CB 4.01Å; M266-L363 HydrophobicContact CG-CD1 4.05Å; M266-L363 HydrophobicContact SD-CB 4.16Å; L270-L363 HydrophobicContact CB-CD2 4.15Å; L270-L363 HydrophobicContact CD1-CB 3.99Å; L274-L363 HydrophobicContact CB-CD2 4.44Å; L274-L363 HydrophobicContact CD1-CD1 4.39Å; L274-L363 HydrophobicContact CD1-CD2 3.94Å; L274-L363 HydrophobicContact CD1-CG 4.48Å; L346-L363 CarbonylContact C-O 3.56Å; L346-L363 VanDerWaalsContact CA-O 3.3Å; L346-L363 WeakPolarHBondContact CA-O 3.22Å; A347-L363 PolarHBondContact N-O 3.31Å; A347-L363 PolarHBondContact O-N 3.43Å; L363-F473 HydrophobicContact CD1-CZ 3.95Å
364	R	98.5	Very high	97.8	Very high	13 Å²	13	30.3 Å²	30.3	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.4	-177.1	-175.3	178.8	-177.5	152.8	4.2	109.6	I241 S242 F243 Y344 A345 L346 R495 D501	I241-R364 PolarHBondContact O-N 2.98Å; S242-R364 CarbonylContact C-O 3.28Å; S242-R364 VanDerWaalsContact CA-O 3.23Å; S242-R364 WeakPolarHBondContact CA-O 3.32Å; F243-R364 PolarHBondContact N-O 3Å; Y344-R364 HydrophobicContact CE2-CG 4.14Å; Y344-R364 WeakPolarHBondContact OH-CG 3.35Å; Y344-R364 PolarHBondContact OH-NE 2.79Å; A345-R364 WeakPolarHBondContact O-CA 3.4Å; L346-R364 HydrophobicContact CD1-CB 3.8Å; L346-R364 HydrophobicContact CD1-CG 4.22Å; R364-R495 PolarHBondContact NH2-O 3.14Å; R364-D501 IonicContact CZ-OD1 2.8Å; R364-D501 IonicContact NH1-OD1 3.57Å; R364-D501 PolarHBondContact NH1-OD1 2.93Å; R364-D501 IonicContact NH2-OD1 2.82Å
365	C	98.5	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.6	173.9	53.3	0	0	0	0	113.1	F243 I261 V265 M266 L270 Y344 A345	F243-C365 HydrophobicContact CB-CB 4.21Å; F243-C365 HydrophobicContact CD1-CB 4.22Å; F243-C365 CarbonylContact O-C 3.54Å; F243-C365 WeakPolarHBondContact O-CA 3.13Å; I261-C365 HydrophobicContact CG1-CB 4.17Å; V265-C365 HydrophobicContact CB-CB 4.27Å; V265-C365 HydrophobicContact CG1-CB 3.84Å; M266-C365 VanDerWaalsContact CE-SG 3.58Å; L270-C365 HydrophobicContact CD1-CB 3.92Å; Y344-C365 CarbonylContact C-O 3.53Å; Y344-C365 VanDerWaalsContact CA-O 3.31Å; Y344-C365 WeakPolarHBondContact CA-O 3.47Å; A345-C365 PolarHBondContact N-O 3.21Å; A345-C365 PolarHBondContact O-N 2.53Å
366	G	98.1	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	162	169.3	0	0	0	0	0	115.7	F243 E245 T343 L369	F243-G366 PolarHBondContact O-N 3.45Å; F243-G366 VanDerWaalsContact O-N 3.08Å; E245-G366 PolarHBondContact N-O 3.09Å; T343-G366 CarbonylContact O-C 3.57Å; T343-G366 WeakPolarHBondContact O-CA 3.26Å; G366-L369 WeakPolarHBondContact O-CD1 3.46Å
367	K	97.7	Very high	97.8	Very high	16 Å²	16	20.6 Å²	20.6	7%	0.07	11%	0.11	C	C	.	.	S	Bend	trans	-100.3	164.5	175.8	-62.9	-173.2	-169.2	-69.5	0	111.2	E245 T249 F256 I261 D264 T343 L369 Y490	E245-K367 WeakPolarHBondContact OE2-CG 3.33Å; E245-K367 IonicContact OE2-NZ 2.95Å; E245-K367 PolarHBondContact OE2-NZ 3.23Å; T249-K367 HydrophobicContact CG2-CD 3.43Å; T249-K367 VanDerWaalsContact CG2-CD 3.43Å; F256-K367 HydrophobicContact CD2-CD 4.47Å; F256-K367 HydrophobicContact CE2-CD 4Å; F256-K367 HydrophobicContact CZ-CD 4.19Å; I261-K367 HydrophobicContact CD1-CG 4.16Å; D264-K367 WeakPolarHBondContact OD2-CE 3.33Å; D264-K367 IonicContact OD2-NZ 3.53Å; D264-K367 PolarHBondContact OD2-NZ 2.98Å; T343-K367 PolarHBondContact O-N 2.79Å; K367-L369 VanDerWaalsContact C-N 3.27Å; K367-L369 PolarHBondContact O-N 3.21Å; K367-Y490 WeakPolarHBondContact O-CE2 3.43Å; K367-Y490 PolarHBondContact O-OH 3.29Å
368	A	97.3	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	55.6	38.7	-179.4	0	0	0	0	0	113.8	E245 L247 Y314 F492 G493	E245-A368 PolarHBondContact O-N 2.8Å; E245-A368 VanDerWaalsContact O-N 3.16Å; L247-A368 PolarHBondContact O-N 3.32Å; Y314-A368 HydrophobicContact CD1-CB 3.68Å; Y314-A368 HydrophobicContact CD2-CB 4.02Å; Y314-A368 HydrophobicContact CE1-CB 4.21Å; Y314-A368 HydrophobicContact CG-CB 3.6Å; A368-F492 HydrophobicContact CB-CD1 4.02Å; A368-F492 HydrophobicContact CB-CD2 3.44Å; A368-F492 VanDerWaalsContact CB-CD2 3.44Å; A368-F492 HydrophobicContact CB-CE1 3.96Å; A368-F492 HydrophobicContact CB-CE2 3.41Å; A368-F492 VanDerWaalsContact CB-CE2 3.41Å; A368-F492 HydrophobicContact CB-CG 3.73Å; A368-F492 HydrophobicContact CB-CZ 3.67Å; A368-G493 PolarHBondContact O-N 3.15Å
369	L	97.9	Very high	97.9	Very high	2 Å²	2	14 Å²	14	1%	0.01	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-98.1	174.5	-179.9	-60.6	-178.5	0	0	0	112.2	K244 E245 Y344 G366 K367 E371 Y490 S494	K244-L369 HydrophobicContact CB-CB 4.43Å; K244-L369 HydrophobicContact CB-CD1 3.88Å; K244-L369 HydrophobicContact CG-CD1 3.76Å; E245-L369 PolarHBondContact O-N 2.82Å; Y344-L369 HydrophobicContact CD2-CD1 4.2Å; Y344-L369 HydrophobicContact CD2-CD2 4.07Å; Y344-L369 HydrophobicContact CE2-CD1 4.38Å; Y344-L369 HydrophobicContact CE2-CD2 4.5Å; G366-L369 WeakPolarHBondContact O-CD1 3.46Å; K367-L369 VanDerWaalsContact C-N 3.27Å; K367-L369 PolarHBondContact O-N 3.21Å; L369-E371 PolarHBondContact O-N 3.06Å; L369-Y490 HydrophobicContact CD2-CD2 4.13Å; L369-Y490 HydrophobicContact CD2-CE2 3.62Å; L369-S494 CarbonylContact C-O 3.59Å; L369-S494 VanDerWaalsContact CA-O 3.32Å; L369-S494 WeakPolarHBondContact CA-O 3.47Å
370	N	96.6	Very high	97.9	Very high	50 Å²	50	15 Å²	15	27%	0.267	7%	0.069	S	C	.	.	S	Bend	trans	-64.1	-21.8	-174.5	70.1	-72.3	0	0	0	115.3	K244 R246 G493 S494	K244-N370 VanDerWaalsContact CE-OD1 3.23Å; K244-N370 WeakPolarHBondContact CE-OD1 3.41Å; K244-N370 PolarHBondContact NZ-OD1 2.94Å; R246-N370 PolarHBondContact NE-O 3.05Å; R246-N370 PolarHBondContact NH2-O 2.99Å; N370-G493 WeakPolarHBondContact CA-O 3.47Å; N370-G493 WeakPolarHBondContact CB-O 3.42Å; N370-G493 PolarHBondContact N-O 3.06Å; N370-S494 PolarHBondContact N-O 2.89Å
371	E	96.3	Very high	97.8	Very high	56 Å²	56	20 Å²	20	26%	0.262	9%	0.088	S	C	.	.	S	Bend	trans	-155.1	156.3	-175.2	68.7	-171.5	157.1	0	0	111.6	K244 L369 K373	K244-E371 CarbonylContact C-O 3.43Å; K244-E371 VanDerWaalsContact CB-O 3.29Å; K244-E371 WeakPolarHBondContact CB-O 3.4Å; K244-E371 HydrophobicContact CD-CG 4.32Å; K244-E371 IonicContact NZ-OE1 3.93Å; K244-E371 PolarHBondContact NZ-OE1 3.39Å; L369-E371 PolarHBondContact O-N 3.06Å; E371-K373 HydrophobicContact CG-CB 4.11Å; E371-K373 WeakPolarHBondContact OE1-CE 3.43Å; E371-K373 IonicContact OE1-NZ 3.8Å; E371-K373 PolarHBondContact OE1-NZ 3.15Å; E371-K373 IonicContact OE2-NZ 2.78Å
372	Q	96	Very high	97.7	Very high	70 Å²	70	23.9 Å²	23.9	33%	0.327	11%	0.109	S	C	.	.			trans	-89.4	119	167.6	-177	170.3	7.2	0	0	107.2	K244 P404	K244-Q372 CarbonylContact O-C 3.53Å; K244-Q372 VanDerWaalsContact O-CA 3.24Å; K244-Q372 WeakPolarHBondContact O-CA 3.43Å; Q372-P404 WeakPolarHBondContact O-CD 3.46Å
373	K	96.6	Very high	97.5	Very high	36 Å²	36	27.9 Å²	27.9	16%	0.157	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	130.4	-178	-168	167	69.3	-174.5	0	111.9	F243 K244 E371 E375 Q403	F243-K373 CarbonylContact C-O 3.54Å; F243-K373 WeakPolarHBondContact CA-O 3.32Å; K244-K373 PolarHBondContact N-O 2.84Å; K244-K373 PolarHBondContact O-N 3.08Å; E371-K373 HydrophobicContact CG-CB 4.11Å; E371-K373 WeakPolarHBondContact OE1-CE 3.43Å; E371-K373 IonicContact OE1-NZ 3.8Å; E371-K373 PolarHBondContact OE1-NZ 3.15Å; E371-K373 IonicContact OE2-NZ 2.78Å; K373-E375 VanDerWaalsContact CD-OE2 3.3Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 WeakPolarHBondContact CE-OE2 3.44Å; K373-E375 IonicContact NZ-OE2 3.08Å; K373-E375 PolarHBondContact NZ-OE2 3.33Å; K373-Q403 CarbonylContact C-O 3.53Å; K373-Q403 VanDerWaalsContact CA-O 3.28Å; K373-Q403 WeakPolarHBondContact CA-O 3.29Å
374	A	97.5	Very high	97.2	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.6	160.4	0	0	0	0	0	109.3	Y208 S242 F243 V402 Q403	Y208-A374 HydrophobicContact CE1-CB 4.01Å; S242-A374 CarbonylContact O-C 3.57Å; S242-A374 WeakPolarHBondContact O-CA 3.46Å; F243-A374 HydrophobicContact CD2-CB 4.3Å; A374-V402 HydrophobicContact CB-CB 4.05Å; A374-V402 HydrophobicContact CB-CG1 4.35Å; A374-V402 PolarHBondContact O-N 3Å; A374-Q403 HydrophobicContact CB-CG 3.78Å; A374-Q403 PolarHBondContact N-O 3.18Å; A374-Q403 PolarHBondContact O-N 3.48Å
375	E	97.5	Very high	96.7	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152	179.7	68.9	174.1	-141.7	0	0	112.7	I241 S242 K373 R377 V399 I400	I241-E375 WeakPolarHBondContact CA-O 3.21Å; S242-E375 PolarHBondContact N-O 3.21Å; S242-E375 PolarHBondContact O-N 2.59Å; K373-E375 VanDerWaalsContact CD-OE2 3.3Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 WeakPolarHBondContact CE-OE2 3.44Å; K373-E375 IonicContact NZ-OE2 3.08Å; K373-E375 PolarHBondContact NZ-OE2 3.33Å; E375-R377 IonicContact OE1-CZ 3.71Å; E375-R377 IonicContact OE1-NE 3.31Å; E375-R377 PolarHBondContact OE1-NE 2.88Å; E375-R377 IonicContact OE1-NH2 2.71Å; E375-R377 PolarHBondContact OE1-NH2 3.37Å; E375-R377 IonicContact OE2-NH2 3.37Å; E375-V399 HydrophobicContact CB-CG1 4.43Å; E375-I400 CarbonylContact C-O 3.52Å; E375-I400 VanDerWaalsContact CA-O 3.29Å; E375-I400 WeakPolarHBondContact CA-O 3.4Å
376	V	98.5	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.3	162.7	-179.3	0	0	0	0	107.9	L217 V239 T240 I241 I273 V277 V378 V399 I400	L217-V376 HydrophobicContact CD1-CG2 4.28Å; L217-V376 HydrophobicContact CD2-CG2 4.49Å; V239-V376 HydrophobicContact CG1-CG1 4.49Å; T240-V376 CarbonylContact O-C 3.58Å; I241-V376 HydrophobicContact CG2-CG2 4.36Å; I273-V376 HydrophobicContact CG2-CG2 3.25Å; V277-V376 HydrophobicContact CG2-CG1 3.71Å; V277-V376 HydrophobicContact CG2-CG2 4.28Å; V376-V378 HydrophobicContact CG1-CG2 4.39Å; V376-V399 CarbonylContact O-C 3.57Å; V376-V399 WeakPolarHBondContact O-CA 3.19Å; V376-I400 HydrophobicContact CB-CB 4.3Å; V376-I400 HydrophobicContact CB-CD1 4.24Å; V376-I400 HydrophobicContact CG1-CD1 4.31Å; V376-I400 PolarHBondContact N-O 3.29Å; V376-I400 PolarHBondContact O-N 2.83Å
377	R	98.6	Very high	96	Very high	33 Å²	33	49.4 Å²	49.4	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.5	174.7	178.8	177.4	-55	-79.6	-14.5	109.3	V239 T240 E375 E397 L398 V399	V239-R377 CarbonylContact C-O 3.6Å; V239-R377 WeakPolarHBondContact CA-O 3.26Å; T240-R377 PolarHBondContact N-O 3.46Å; T240-R377 PolarHBondContact O-N 3.26Å; E375-R377 IonicContact OE1-CZ 3.71Å; E375-R377 IonicContact OE1-NE 3.31Å; E375-R377 PolarHBondContact OE1-NE 2.88Å; E375-R377 IonicContact OE1-NH2 2.71Å; E375-R377 PolarHBondContact OE1-NH2 3.37Å; E375-R377 IonicContact OE2-NH2 3.37Å; R377-E397 IonicContact CZ-OE2 3.07Å; R377-E397 IonicContact NH1-OE2 3.46Å; R377-E397 PolarHBondContact NH1-OE2 3.09Å; R377-L398 WeakPolarHBondContact CA-O 3.39Å; R377-V399 HydrophobicContact CG-CG2 4.26Å
378	V	98.4	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.2	172.4	-178.9	0	0	0	0	107.3	W231 I236 V239 V376 F380 E397 L398	W231-V378 HydrophobicContact CH2-CG2 3.96Å; W231-V378 HydrophobicContact CZ2-CG2 4.15Å; I236-V378 HydrophobicContact CB-CG1 4.36Å; I236-V378 HydrophobicContact CD1-CG1 3.58Å; I236-V378 HydrophobicContact CG1-CG1 3.66Å; I236-V378 HydrophobicContact CG2-CG1 3.81Å; V239-V378 HydrophobicContact CG2-CG2 4.44Å; V376-V378 HydrophobicContact CG1-CG2 4.39Å; V378-F380 HydrophobicContact CG1-CE2 4.18Å; V378-F380 HydrophobicContact CG1-CZ 4.3Å; V378-E397 CarbonylContact O-C 3.51Å; V378-E397 VanDerWaalsContact O-CA 3.26Å; V378-E397 WeakPolarHBondContact O-CA 3.28Å; V378-L398 HydrophobicContact CB-CB 4.32Å; V378-L398 PolarHBondContact N-O 3.4Å; V378-L398 PolarHBondContact O-N 3.03Å
379	Q	98.7	Very high	95.3	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.8	177	-175.1	177	93.5	0	0	109.3	A237 S238 R395 E397 I510	A237-Q379 PolarHBondContact N-O 3.36Å; S238-Q379 PolarHBondContact N-O 2.77Å; S238-Q379 PolarHBondContact O-N 3.36Å; Q379-R395 HydrophobicContact CG-CB 3.83Å; Q379-R395 HydrophobicContact CG-CG 4.46Å; Q379-E397 HydrophobicContact CB-CG 4.26Å; Q379-E397 HydrophobicContact CG-CG 4.07Å; Q379-E397 PolarHBondContact NE2-OE1 3Å; Q379-I510 PolarHBondContact NE2-O 2.96Å
380	F	98.3	Very high	94.8	Very high	19 Å²	19	65.9 Å²	65.9	8%	0.083	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	162.6	-179.9	-68.9	-94.5	0	0	0	111.4	H235 I236 V378 R395 N396 L398 F410	H235-F380 HydrophobicContact CB-CD1 4.25Å; H235-F380 CarbonylContact O-C 3.44Å; H235-F380 WeakPolarHBondContact O-CA 3.42Å; H235-F380 WeakPolarHBondContact O-CB 3.43Å; H235-F380 WeakPolarHBondContact O-CD1 3.34Å; I236-F380 HydrophobicContact CG1-CD1 4.45Å; I236-F380 HydrophobicContact CG1-CE1 4.29Å; V378-F380 HydrophobicContact CG1-CE2 4.18Å; V378-F380 HydrophobicContact CG1-CZ 4.3Å; F380-R395 WeakPolarHBondContact O-CB 3.19Å; F380-R395 WeakPolarHBondContact O-CD 3.25Å; F380-R395 VanDerWaalsContact O-CG 3.22Å; F380-R395 WeakPolarHBondContact O-CG 3.38Å; F380-N396 HydrophobicContact CB-CB 4.2Å; F380-N396 HydrophobicContact CD2-CB 4.07Å; F380-N396 WeakPolarHBondContact CD2-O 3.45Å; F380-N396 HydrophobicContact CG-CB 4.37Å; F380-N396 PolarHBondContact N-O 2.86Å; F380-L398 HydrophobicContact CE2-CB 4.02Å; F380-F410 HydrophobicContact CD2-CE2 4.17Å; F380-F410 AromaticContact CE2-CE2 3.68Å; F380-F410 HydrophobicContact CE2-CE2 3.68Å; F380-F410 HydrophobicContact CZ-CE2 4.24Å
381	R	97.6	Very high	94.3	Very high	111 Å²	111	65.7 Å²	65.7	42%	0.419	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-68.7	162.1	172.7	-67.7	-173	-177.1	-84.2	-4.5	111.3	R233 D234 H235 A237	R233-R381 VanDerWaalsContact O-CZ 3.28Å; R233-R381 PolarHBondContact O-NE 2.97Å; R233-R381 PolarHBondContact O-NH2 2.93Å; D234-R381 WeakPolarHBondContact O-CD 3.3Å; H235-R381 PolarHBondContact O-N 3.43Å; A237-R381 HydrophobicContact CB-CG 3.92Å
382	D	96.3	Very high	94	Very high	81 Å²	81	66.4 Å²	66.4	43%	0.433	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-64	149.1	174.5	-54.5	-62.5	0	0	0	110.6	V384 R395	D382-V384 PolarHBondContact O-N 3.37Å; D382-R395 WeakPolarHBondContact OD1-CG 3.33Å; D382-R395 IonicContact OD1-NE 3.46Å; D382-R395 PolarHBondContact OD1-NE 3.12Å; D382-R395 VanDerWaalsContact OD1-NE 3.09Å; D382-R395 IonicContact OD2-CZ 3.09Å; D382-R395 IonicContact OD2-NE 2.83Å; D382-R395 PolarHBondContact OD2-NE 3.18Å; D382-R395 IonicContact OD2-NH2 3.38Å; D382-R395 PolarHBondContact OD2-NH2 2.98Å
383	V	94.9	Very high	94	Very high	83 Å²	83	64.1 Å²	64.1	50%	0.503	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.8	123.5	172.1	177.3	0	0	0	0	108	S385 D386 V393	V383-S385 PolarHBondContact O-N 3.09Å; V383-D386 HydrophobicContact CB-CB 4.23Å; V383-D386 HydrophobicContact CG1-CB 4.09Å; V383-V393 HydrophobicContact CB-CG1 4.43Å; V383-V393 HydrophobicContact CG2-CG1 4.16Å
384	V	90.7	Very high	93.9	Very high	132 Å²	132	64.7 Å²	64.7	80%	0.8	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	128.1	179.3	-178.3	0	0	0	0	109.4	D382 D386	D382-V384 PolarHBondContact O-N 3.37Å; V384-D386 PolarHBondContact O-N 3.39Å
385	S	88.7	Confident	93.9	Very high	112 Å²	112	66.5 Å²	66.5	78%	0.783	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	47.8	176.3	-58	0	0	0	0	113.2	V383	V383-S385 PolarHBondContact O-N 3.09Å
386	D	88.1	Confident	94	Very high	62 Å²	62	68.2 Å²	68.2	33%	0.332	37%	0.365	S	S	.	.			trans	-63.2	150	173.9	84.6	80.4	0	0	0	111.7	V383 V384 F388 V393	V383-D386 HydrophobicContact CB-CB 4.23Å; V383-D386 HydrophobicContact CG1-CB 4.09Å; V384-D386 PolarHBondContact O-N 3.39Å; D386-F388 WeakPolarHBondContact OD1-CB 3.47Å; D386-F388 PolarHBondContact OD1-N 3.42Å; D386-V393 HydrophobicContact CB-CG2 4.02Å; D386-V393 WeakPolarHBondContact OD1-CG2 3.22Å
387	I	93.4	Very high	94	Very high	159 Å²	159	68.8 Å²	68.8	82%	0.815	37%	0.368	S	S	*	.			trans	-97.6	5.6	-173.9	62.1	172.5	0	0	0	112.6
388	F	92.4	Very high	93.9	Very high	89 Å²	89	67.4 Å²	67.4	39%	0.39	36%	0.363	S	S	.	.	S	Bend	trans	-91.9	163	-177.4	-62.8	-82.4	0	0	0	110.2	D386 E390 V393 I423	D386-F388 WeakPolarHBondContact OD1-CB 3.47Å; D386-F388 PolarHBondContact OD1-N 3.42Å; F388-E390 PolarHBondContact O-N 3.06Å; F388-V393 HydrophobicContact CB-CG2 3.83Å; F388-V393 HydrophobicContact CD2-CG2 3.45Å; F388-V393 VanDerWaalsContact CD2-CG2 3.45Å; F388-V393 HydrophobicContact CE2-CG2 4.32Å; F388-V393 HydrophobicContact CG-CG2 3.93Å; F388-I423 HydrophobicContact CB-CD1 3.95Å; F388-I423 HydrophobicContact CD1-CD1 3.82Å; F388-I423 HydrophobicContact CD1-CG1 4.23Å; F388-I423 HydrophobicContact CD1-CG2 3.75Å; F388-I423 HydrophobicContact CD2-CD1 4.09Å; F388-I423 HydrophobicContact CE1-CD1 4.33Å; F388-I423 HydrophobicContact CE1-CG2 3.34Å; F388-I423 HydrophobicContact CG-CD1 3.68Å; F388-I423 HydrophobicContact CZ-CG2 3.87Å
389	P	88.6	Confident	93.9	Very high	76 Å²	76	67.4 Å²	67.4	49%	0.494	36%	0.363	S	S	.	.	S	Bend	trans	-55.9	143.4	176.2	-24.4	33.9	0	0	0	111.7	G391 Q392	P389-G391 PolarHBondContact O-N 3.43Å; P389-Q392 HydrophobicContact CB-CG 4.01Å; P389-Q392 HydrophobicContact CG-CG 4.48Å; P389-Q392 VanDerWaalsContact O-CB 3.3Å; P389-Q392 WeakPolarHBondContact O-CB 3.45Å; P389-Q392 WeakPolarHBondContact O-CG 3.46Å; P389-Q392 PolarHBondContact O-N 3.26Å
390	E	86.5	Confident	93.9	Very high	200 Å²	200	67.3 Å²	67.3	94%	0.935	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	129.9	-172.6	-170.9	177.3	178.7	0	0	111.9	F388 Q392	F388-E390 PolarHBondContact O-N 3.06Å; E390-Q392 VanDerWaalsContact C-N 3.27Å; E390-Q392 PolarHBondContact O-N 3.29Å
391	G	86.3	Confident	93.9	Very high	46 Å²	46	68.9 Å²	68.9	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	3.6	179.5	0	0	0	0	0	115.1	P389 K394	P389-G391 PolarHBondContact O-N 3.43Å; G391-K394 VanDerWaalsContact O-CE 3.31Å; G391-K394 WeakPolarHBondContact O-CE 3.48Å; G391-K394 PolarHBondContact O-NZ 2.98Å
392	Q	90.8	Very high	93.8	Very high	70 Å²	70	63.7 Å²	63.7	33%	0.327	35%	0.349	S	S	.	.			trans	-77.1	-41.1	174.1	-70.2	-164.9	4.2	0	0	112.9	P389 E390 K394 M413 I423	P389-Q392 HydrophobicContact CB-CG 4.01Å; P389-Q392 HydrophobicContact CG-CG 4.48Å; P389-Q392 VanDerWaalsContact O-CB 3.3Å; P389-Q392 WeakPolarHBondContact O-CB 3.45Å; P389-Q392 WeakPolarHBondContact O-CG 3.46Å; P389-Q392 PolarHBondContact O-N 3.26Å; E390-Q392 VanDerWaalsContact C-N 3.27Å; E390-Q392 PolarHBondContact O-N 3.29Å; Q392-K394 PolarHBondContact O-N 3.07Å; Q392-M413 VanDerWaalsContact O-CE 3.29Å; Q392-M413 WeakPolarHBondContact O-CE 3.31Å; Q392-I423 HydrophobicContact CB-CD1 3.87Å; Q392-I423 HydrophobicContact CB-CG1 4.04Å
393	V	95	Very high	93.6	Very high	23 Å²	23	60.6 Å²	60.6	14%	0.139	33%	0.332	C	S	.	.	S	Bend	trans	-71.1	127	175.4	-178.2	0	0	0	0	109.1	V383 D386 F388 M413 I423	V383-V393 HydrophobicContact CB-CG1 4.43Å; V383-V393 HydrophobicContact CG2-CG1 4.16Å; D386-V393 HydrophobicContact CB-CG2 4.02Å; D386-V393 WeakPolarHBondContact OD1-CG2 3.22Å; F388-V393 HydrophobicContact CB-CG2 3.83Å; F388-V393 HydrophobicContact CD2-CG2 3.45Å; F388-V393 VanDerWaalsContact CD2-CG2 3.45Å; F388-V393 HydrophobicContact CE2-CG2 4.32Å; F388-V393 HydrophobicContact CG-CG2 3.93Å; V393-M413 HydrophobicContact CG1-CG 4.22Å; V393-I423 HydrophobicContact CG2-CD1 3.67Å
394	K	95.9	Very high	93.5	Very high	47 Å²	47	59.7 Å²	59.7	20%	0.204	33%	0.327	C	S	.	.			trans	-108	153.3	176.1	-51.7	-48.5	-167.9	176.9	0	110.1	G391 Q392 N396 M413 E425 T512 T514	G391-K394 VanDerWaalsContact O-CE 3.31Å; G391-K394 WeakPolarHBondContact O-CE 3.48Å; G391-K394 PolarHBondContact O-NZ 2.98Å; Q392-K394 PolarHBondContact O-N 3.07Å; K394-N396 PolarHBondContact O-N 2.75Å; K394-M413 HydrophobicContact CB-SD 3.9Å; K394-M413 HydrophobicContact CG-CE 4.45Å; K394-M413 HydrophobicContact CG-SD 4.18Å; K394-E425 HydrophobicContact CB-CG 4.09Å; K394-E425 HydrophobicContact CG-CG 3.85Å; K394-T512 HydrophobicContact CD-CG2 3.74Å; K394-T512 HydrophobicContact CG-CG2 4.41Å; K394-T514 WeakPolarHBondContact CE-OG1 3.19Å
395	R	97.4	Very high	93.5	Very high	40 Å²	40	57.7 Å²	57.7	15%	0.151	31%	0.312	C	S	.	.			trans	-55.8	135.4	172.8	-71.1	-178.5	170	-175.2	-0	110.6	A237 Q379 F380 D382 G508 I510	A237-R395 VanDerWaalsContact CB-NH1 3.35Å; Q379-R395 HydrophobicContact CG-CB 3.83Å; Q379-R395 HydrophobicContact CG-CG 4.46Å; F380-R395 WeakPolarHBondContact O-CB 3.19Å; F380-R395 WeakPolarHBondContact O-CD 3.25Å; F380-R395 VanDerWaalsContact O-CG 3.22Å; F380-R395 WeakPolarHBondContact O-CG 3.38Å; D382-R395 WeakPolarHBondContact OD1-CG 3.33Å; D382-R395 IonicContact OD1-NE 3.46Å; D382-R395 PolarHBondContact OD1-NE 3.12Å; D382-R395 VanDerWaalsContact OD1-NE 3.09Å; D382-R395 IonicContact OD2-CZ 3.09Å; D382-R395 IonicContact OD2-NE 2.83Å; D382-R395 PolarHBondContact OD2-NE 3.18Å; D382-R395 IonicContact OD2-NH2 3.38Å; D382-R395 PolarHBondContact OD2-NH2 2.98Å; R395-G508 PolarHBondContact NH1-O 3.03Å; R395-I510 VanDerWaalsContact CZ-CD1 3.43Å
396	N	98	Very high	93.8	Very high	48 Å²	48	54.5 Å²	54.5	26%	0.257	29%	0.285	S	S	.	.			trans	-70.1	152.4	171.4	-60.1	166.4	0	0	0	109.5	F380 K394 F410 K411	F380-N396 HydrophobicContact CB-CB 4.2Å; F380-N396 HydrophobicContact CD2-CB 4.07Å; F380-N396 WeakPolarHBondContact CD2-O 3.45Å; F380-N396 HydrophobicContact CG-CB 4.37Å; F380-N396 PolarHBondContact N-O 2.86Å; K394-N396 PolarHBondContact O-N 2.75Å; N396-F410 HydrophobicContact CB-CE1 4.21Å; N396-F410 HydrophobicContact CB-CE2 4.2Å; N396-F410 HydrophobicContact CB-CZ 3.64Å; N396-K411 VanDerWaalsContact CA-O 3.27Å; N396-K411 WeakPolarHBondContact CA-O 3.33Å; N396-K411 WeakPolarHBondContact CB-O 3.15Å
397	E	98.5	Very high	94.2	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.9	177.3	-60.5	-178.9	156.3	0	0	110.3	R377 V378 Q379 V399 F410 K411	R377-E397 IonicContact CZ-OE2 3.07Å; R377-E397 IonicContact NH1-OE2 3.46Å; R377-E397 PolarHBondContact NH1-OE2 3.09Å; V378-E397 CarbonylContact O-C 3.51Å; V378-E397 VanDerWaalsContact O-CA 3.26Å; V378-E397 WeakPolarHBondContact O-CA 3.28Å; Q379-E397 HydrophobicContact CB-CG 4.26Å; Q379-E397 HydrophobicContact CG-CG 4.07Å; Q379-E397 PolarHBondContact NE2-OE1 3Å; E397-V399 HydrophobicContact CB-CG2 4.4Å; E397-F410 CarbonylContact O-C 3.51Å; E397-F410 WeakPolarHBondContact O-CA 3.24Å; E397-K411 HydrophobicContact CB-CB 4.15Å; E397-K411 HydrophobicContact CB-CD 4.23Å; E397-K411 PolarHBondContact N-O 2.94Å; E397-K411 VanDerWaalsContact N-O 3.14Å; E397-K411 PolarHBondContact O-N 3.02Å; E397-K411 WeakPolarHBondContact OE2-CD 3.32Å; E397-K411 IonicContact OE2-NZ 3.64Å; E397-K411 PolarHBondContact OE2-NZ 2.79Å
398	L	98.1	Very high	94.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.2	164.1	178.3	66.8	0	0	0	108.2	F227 W231 R377 V378 F380 I400 V408 F410	F227-L398 HydrophobicContact CD1-CD2 4.4Å; F227-L398 HydrophobicContact CE1-CD1 4.37Å; F227-L398 HydrophobicContact CE1-CD2 3.95Å; F227-L398 HydrophobicContact CZ-CD1 4.22Å; F227-L398 HydrophobicContact CZ-CD2 4.17Å; W231-L398 HydrophobicContact CH2-CD2 3.78Å; W231-L398 HydrophobicContact CZ3-CD2 3.56Å; R377-L398 WeakPolarHBondContact CA-O 3.39Å; V378-L398 HydrophobicContact CB-CB 4.32Å; V378-L398 PolarHBondContact N-O 3.4Å; V378-L398 PolarHBondContact O-N 3.03Å; F380-L398 HydrophobicContact CE2-CB 4.02Å; L398-I400 HydrophobicContact CD2-CD1 4.09Å; L398-I400 HydrophobicContact CG-CD1 3.99Å; L398-V408 HydrophobicContact CD1-CG1 3.93Å; L398-F410 HydrophobicContact CB-CD2 4.01Å; L398-F410 HydrophobicContact CB-CE2 4.48Å; L398-F410 HydrophobicContact CD1-CB 4.45Å; L398-F410 HydrophobicContact CD1-CD2 4.23Å
399	V	98.2	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	178.5	-169.5	0	0	0	0	110.2	E375 V376 R377 E397 V408 Y409	E375-V399 HydrophobicContact CB-CG1 4.43Å; V376-V399 CarbonylContact O-C 3.57Å; V376-V399 WeakPolarHBondContact O-CA 3.19Å; R377-V399 HydrophobicContact CG-CG2 4.26Å; E397-V399 HydrophobicContact CB-CG2 4.4Å; V399-V408 WeakPolarHBondContact O-CA 3.44Å; V399-Y409 HydrophobicContact CB-CD1 4.08Å; V399-Y409 HydrophobicContact CB-CD2 4.01Å; V399-Y409 HydrophobicContact CB-CE1 3.62Å; V399-Y409 HydrophobicContact CB-CE2 3.57Å; V399-Y409 HydrophobicContact CB-CG 4.26Å; V399-Y409 HydrophobicContact CG1-CE1 3.66Å; V399-Y409 HydrophobicContact CG1-CE2 4.2Å; V399-Y409 VanDerWaalsContact CG1-CZ 3.48Å; V399-Y409 VanDerWaalsContact CG1-OH 3.32Å; V399-Y409 WeakPolarHBondContact CG1-OH 3.39Å; V399-Y409 HydrophobicContact CG2-CD2 4.07Å; V399-Y409 HydrophobicContact CG2-CE1 4.38Å; V399-Y409 HydrophobicContact CG2-CE2 3.43Å; V399-Y409 VanDerWaalsContact CG2-CE2 3.43Å; V399-Y409 PolarHBondContact N-O 2.84Å; V399-Y409 PolarHBondContact O-N 3.37Å
400	I	98.2	Very high	95.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	101.5	171.3	-54.9	92.2	0	0	0	106.6	M213 L217 L220 E375 V376 L398 V402	M213-I400 HydrophobicContact CB-CG2 4.17Å; M213-I400 HydrophobicContact CE-CG2 3.7Å; L217-I400 HydrophobicContact CD2-CB 4.27Å; L217-I400 HydrophobicContact CD2-CD1 3.85Å; L217-I400 HydrophobicContact CD2-CG1 3.92Å; L217-I400 HydrophobicContact CD2-CG2 4.31Å; L220-I400 HydrophobicContact CD1-CG1 3.99Å; E375-I400 CarbonylContact C-O 3.52Å; E375-I400 VanDerWaalsContact CA-O 3.29Å; E375-I400 WeakPolarHBondContact CA-O 3.4Å; V376-I400 HydrophobicContact CB-CB 4.3Å; V376-I400 HydrophobicContact CB-CD1 4.24Å; V376-I400 HydrophobicContact CG1-CD1 4.31Å; V376-I400 PolarHBondContact N-O 3.29Å; V376-I400 PolarHBondContact O-N 2.83Å; L398-I400 HydrophobicContact CD2-CD1 4.09Å; L398-I400 HydrophobicContact CG-CD1 3.99Å; I400-V402 PolarHBondContact O-N 3.49Å
401	R	97.7	Very high	95.6	Very high	51 Å²	51	31.5 Å²	31.5	19%	0.192	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.1	175.7	-174.3	168.1	64.3	-130.6	-4.4	108.3	M213 P404 N405 E406 A407	M213-R401 WeakPolarHBondContact CG-O 3.42Å; R401-P404 VanDerWaalsContact CD-O 3.32Å; R401-P404 WeakPolarHBondContact CD-O 3.46Å; R401-P404 PolarHBondContact NE-O 3.15Å; R401-P404 VanDerWaalsContact NE-O 3.1Å; R401-N405 PolarHBondContact NE-O 2.8Å; R401-N405 PolarHBondContact NH2-O 2.93Å; R401-E406 WeakPolarHBondContact O-CA 3.49Å; R401-A407 HydrophobicContact CB-CB 4.45Å; R401-A407 PolarHBondContact N-O 3.07Å; R401-A407 VanDerWaalsContact NH2-CB 3.31Å; R401-A407 PolarHBondContact O-N 3.49Å; R401-A407 VanDerWaalsContact O-N 3.14Å
402	V	95.5	Very high	96.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-40.1	-176.9	171.6	0	0	0	0	111.5	K211 M213 V214 A374 I400	K211-V402 HydrophobicContact CB-CG1 4.15Å; K211-V402 HydrophobicContact CD-CG1 3.63Å; M213-V402 HydrophobicContact CB-CB 4.2Å; M213-V402 HydrophobicContact CB-CG1 4.43Å; M213-V402 HydrophobicContact CB-CG2 3.99Å; V214-V402 HydrophobicContact CG2-CG1 3.81Å; V214-V402 HydrophobicContact CG2-CG2 3.95Å; A374-V402 HydrophobicContact CB-CB 4.05Å; A374-V402 HydrophobicContact CB-CG1 4.35Å; A374-V402 PolarHBondContact O-N 3Å; I400-V402 PolarHBondContact O-N 3.49Å
403	Q	92.6	Very high	96.4	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.075	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	159.5	172.6	61.9	-179.9	27.2	0	0	110.5	Y208 K211 K373 A374	Y208-Q403 PolarHBondContact OH-NE2 2.06Å; Y208-Q403 VanDerWaalsContact OH-NE2 3.16Å; K211-Q403 VanDerWaalsContact CE-OE1 3.25Å; K373-Q403 CarbonylContact C-O 3.53Å; K373-Q403 VanDerWaalsContact CA-O 3.28Å; K373-Q403 WeakPolarHBondContact CA-O 3.29Å; A374-Q403 HydrophobicContact CB-CG 3.78Å; A374-Q403 PolarHBondContact N-O 3.18Å; A374-Q403 PolarHBondContact O-N 3.48Å
404	P	92.1	Very high	96.4	Very high	63 Å²	63	32.2 Å²	32.2	41%	0.409	16%	0.16	S	C	.	.	S	Bend	cis	-72.9	174.5	-23.1	34.3	-36.6	0	0	0	110.9	Q372 R401	Q372-P404 WeakPolarHBondContact O-CD 3.46Å; R401-P404 VanDerWaalsContact CD-O 3.32Å; R401-P404 WeakPolarHBondContact CD-O 3.46Å; R401-P404 PolarHBondContact NE-O 3.15Å; R401-P404 VanDerWaalsContact NE-O 3.1Å
405	N	91.5	Very high	96.4	Very high	90 Å²	90	34.2 Å²	34.2	48%	0.481	17%	0.169	S	C	.	.	S	Bend	trans	52.8	68.1	-179.9	-66.1	-41.7	0	0	0	111.2	R401 A407 N433	R401-N405 PolarHBondContact NE-O 2.8Å; R401-N405 PolarHBondContact NH2-O 2.93Å; N405-A407 PolarHBondContact O-N 3.06Å; N405-N433 PolarHBondContact OD1-ND2 3.37Å
406	E	94.6	Very high	96.2	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	18%	0.177	C	C	.	.			trans	-40.9	121.8	178.2	-69.5	76.1	-169.9	0	0	110.6	M213 R401 Y432 L441	M213-E406 HydrophobicContact CG-CB 3.67Å; M213-E406 HydrophobicContact CG-CG 3.63Å; M213-E406 HydrophobicContact SD-CB 3.85Å; M213-E406 HydrophobicContact SD-CG 4.34Å; R401-E406 WeakPolarHBondContact O-CA 3.49Å; E406-Y432 HydrophobicContact CB-CD2 4.17Å; E406-Y432 HydrophobicContact CB-CG 4.08Å; E406-Y432 WeakPolarHBondContact O-CB 3.18Å; E406-Y432 WeakPolarHBondContact O-CD2 3.38Å; E406-Y432 PolarHBondContact O-N 2.8Å; E406-L441 HydrophobicContact CB-CD1 4.28Å; E406-L441 HydrophobicContact CG-CD1 3.91Å
407	A	96.4	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.4	-176.6	0	0	0	0	0	112.9	R401 N405 L430	R401-A407 HydrophobicContact CB-CB 4.45Å; R401-A407 PolarHBondContact N-O 3.07Å; R401-A407 VanDerWaalsContact NH2-CB 3.31Å; R401-A407 PolarHBondContact O-N 3.49Å; R401-A407 VanDerWaalsContact O-N 3.14Å; N405-A407 PolarHBondContact O-N 3.06Å; A407-L430 CarbonylContact C-O 3.59Å; A407-L430 WeakPolarHBondContact CA-O 3.36Å
408	V	97.7	Very high	95.6	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.5	166	-174.2	0	0	0	0	107.4	M213 L220 L398 V399 L430	M213-V408 HydrophobicContact CE-CG2 3.36Å; L220-V408 HydrophobicContact CD1-CG1 4.29Å; L220-V408 HydrophobicContact CD1-CG2 3.95Å; L398-V408 HydrophobicContact CD1-CG1 3.93Å; V399-V408 WeakPolarHBondContact O-CA 3.44Å; V408-L430 PolarHBondContact N-O 3.28Å; V408-L430 PolarHBondContact O-N 2.94Å
409	Y	97.5	Very high	95.1	Very high	26 Å²	26	49.1 Å²	49.1	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.6	174.9	60.4	-87.2	0	0	0	112.2	V399 K411 L428 D429	V399-Y409 HydrophobicContact CB-CD1 4.08Å; V399-Y409 HydrophobicContact CB-CD2 4.01Å; V399-Y409 HydrophobicContact CB-CE1 3.62Å; V399-Y409 HydrophobicContact CB-CE2 3.57Å; V399-Y409 HydrophobicContact CB-CG 4.26Å; V399-Y409 HydrophobicContact CG1-CE1 3.66Å; V399-Y409 HydrophobicContact CG1-CE2 4.2Å; V399-Y409 VanDerWaalsContact CG1-CZ 3.48Å; V399-Y409 VanDerWaalsContact CG1-OH 3.32Å; V399-Y409 WeakPolarHBondContact CG1-OH 3.39Å; V399-Y409 HydrophobicContact CG2-CD2 4.07Å; V399-Y409 HydrophobicContact CG2-CE1 4.38Å; V399-Y409 HydrophobicContact CG2-CE2 3.43Å; V399-Y409 VanDerWaalsContact CG2-CE2 3.43Å; V399-Y409 PolarHBondContact N-O 2.84Å; V399-Y409 PolarHBondContact O-N 3.37Å; Y409-K411 HydrophobicContact CD2-CG 4.18Å; Y409-K411 HydrophobicContact CE2-CD 4.34Å; Y409-K411 HydrophobicContact CE2-CG 4.23Å; Y409-L428 CarbonylContact C-O 3.54Å; Y409-L428 WeakPolarHBondContact CA-O 3.5Å; Y409-D429 WeakPolarHBondContact CB-OD2 3.36Å
410	F	97.8	Very high	94.6	Very high	45 Å²	45	50.8 Å²	50.8	20%	0.197	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.6	179.7	-173.6	-101.3	0	0	0	109.7	F380 N396 E397 L398 M412 E427 L428	F380-F410 HydrophobicContact CD2-CE2 4.17Å; F380-F410 AromaticContact CE2-CE2 3.68Å; F380-F410 HydrophobicContact CE2-CE2 3.68Å; F380-F410 HydrophobicContact CZ-CE2 4.24Å; N396-F410 HydrophobicContact CB-CE1 4.21Å; N396-F410 HydrophobicContact CB-CE2 4.2Å; N396-F410 HydrophobicContact CB-CZ 3.64Å; E397-F410 CarbonylContact O-C 3.51Å; E397-F410 WeakPolarHBondContact O-CA 3.24Å; L398-F410 HydrophobicContact CB-CD2 4.01Å; L398-F410 HydrophobicContact CB-CE2 4.48Å; L398-F410 HydrophobicContact CD1-CB 4.45Å; L398-F410 HydrophobicContact CD1-CD2 4.23Å; F410-M412 HydrophobicContact CD1-CB 3.97Å; F410-M412 HydrophobicContact CD1-CG 4.41Å; F410-M412 HydrophobicContact CD1-SD 4.43Å; F410-M412 HydrophobicContact CE1-CB 3.86Å; F410-E427 VanDerWaalsContact O-CA 3.24Å; F410-E427 WeakPolarHBondContact O-CA 3.4Å; F410-L428 PolarHBondContact N-O 2.65Å; F410-L428 PolarHBondContact O-N 2.82Å
411	K	98	Very high	94.1	Very high	17 Å²	17	59.4 Å²	59.4	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.9	174.5	-70.3	175.5	55.4	-162.7	0	110.2	N396 E397 Y409 E425 T426 Y515	N396-K411 VanDerWaalsContact CA-O 3.27Å; N396-K411 WeakPolarHBondContact CA-O 3.33Å; N396-K411 WeakPolarHBondContact CB-O 3.15Å; E397-K411 HydrophobicContact CB-CB 4.15Å; E397-K411 HydrophobicContact CB-CD 4.23Å; E397-K411 PolarHBondContact N-O 2.94Å; E397-K411 VanDerWaalsContact N-O 3.14Å; E397-K411 PolarHBondContact O-N 3.02Å; E397-K411 WeakPolarHBondContact OE2-CD 3.32Å; E397-K411 IonicContact OE2-NZ 3.64Å; E397-K411 PolarHBondContact OE2-NZ 2.79Å; Y409-K411 HydrophobicContact CD2-CG 4.18Å; Y409-K411 HydrophobicContact CE2-CD 4.34Å; Y409-K411 HydrophobicContact CE2-CG 4.23Å; K411-E425 IonicContact NZ-OE1 3.83Å; K411-T426 CarbonylContact C-O 3.6Å; K411-T426 VanDerWaalsContact CA-O 3.29Å; K411-T426 WeakPolarHBondContact CA-O 3.45Å; K411-Y515 HydrophobicContact CD-CD1 4.19Å; K411-Y515 HydrophobicContact CD-CE1 4.17Å; K411-Y515 HydrophobicContact CD-CG 4.42Å; K411-Y515 HydrophobicContact CG-CE2 4.47Å
412	M	97.2	Very high	93.8	Very high	60 Å²	60	61.9 Å²	61.9	30%	0.296	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	169.6	-177.5	62.9	176.8	-67.4	0	0	112	F410 E425 T426 L428	F410-M412 HydrophobicContact CD1-CB 3.97Å; F410-M412 HydrophobicContact CD1-CG 4.41Å; F410-M412 HydrophobicContact CD1-SD 4.43Å; F410-M412 HydrophobicContact CE1-CB 3.86Å; M412-E425 CarbonylContact O-C 3.55Å; M412-E425 WeakPolarHBondContact O-CA 3.44Å; M412-T426 HydrophobicContact CG-CG2 4.12Å; M412-T426 PolarHBondContact N-O 2.84Å; M412-T426 PolarHBondContact O-N 2.86Å; M412-L428 HydrophobicContact SD-CD1 4Å; M412-L428 HydrophobicContact SD-CD2 4.49Å; M412-L428 HydrophobicContact SD-CG 3.93Å
413	M	96.5	Very high	93.7	Very high	36 Å²	36	63 Å²	63	18%	0.177	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.3	173.1	-54.7	-51.5	-65.3	0	0	110	Q392 V393 K394 I423 T424 E425	Q392-M413 VanDerWaalsContact O-CE 3.29Å; Q392-M413 WeakPolarHBondContact O-CE 3.31Å; V393-M413 HydrophobicContact CG1-CG 4.22Å; K394-M413 HydrophobicContact CB-SD 3.9Å; K394-M413 HydrophobicContact CG-CE 4.45Å; K394-M413 HydrophobicContact CG-SD 4.18Å; M413-I423 HydrophobicContact CE-CB 4.33Å; M413-I423 HydrophobicContact CE-CD1 3.88Å; M413-I423 HydrophobicContact CE-CG1 4.1Å; M413-T424 WeakPolarHBondContact CA-O 3.33Å; M413-E425 HydrophobicContact CE-CG 4.1Å; M413-E425 HydrophobicContact SD-CB 4.47Å; M413-E425 HydrophobicContact SD-CG 3.62Å
414	T	95.9	Very high	93.8	Very high	57 Å²	57	64.8 Å²	64.8	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.7	171.1	-166.6	0	0	0	0	110.6	T416 I423 T424 T426	T414-T416 PolarHBondContact O-N 3.37Å; T414-I423 CarbonylContact O-C 3.58Å; T414-I423 VanDerWaalsContact O-CA 3.3Å; T414-I423 WeakPolarHBondContact O-CA 3.33Å; T414-T424 HydrophobicContact CG2-CG2 3.86Å; T414-T424 PolarHBondContact N-O 2.97Å; T414-T424 PolarHBondContact O-N 3.26Å; T414-T426 HydrophobicContact CG2-CG2 3.34Å
415	K	95.4	Very high	94	Very high	89 Å²	89	62.9 Å²	62.9	39%	0.387	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.7	168.9	-165.7	-166	85.9	66.9	0	109.1	P417 G418 G420	K415-P417 WeakPolarHBondContact O-CD 3.32Å; K415-G418 PolarHBondContact NZ-O 2.83Å; K415-G420 PolarHBondContact NZ-O 2.82Å
416	T	93.3	Very high	94.2	Very high	51 Å²	51	60.8 Å²	60.8	31%	0.313	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-54.2	126.9	172.6	-56.8	0	0	0	0	109.4	T414 G418 D422	T414-T416 PolarHBondContact O-N 3.37Å; T416-G418 PolarHBondContact O-N 3.32Å; T416-D422 VanDerWaalsContact CB-O 3.27Å; T416-D422 WeakPolarHBondContact CB-O 3.27Å; T416-D422 PolarHBondContact N-O 2.89Å; T416-D422 PolarHBondContact OG1-O 3.16Å
417	P	91.9	Very high	94.3	Very high	117 Å²	117	60.8 Å²	60.8	76%	0.76	34%	0.336	S	S	*	.	S	Bend	trans	-56	129.8	175.7	-26.6	35.2	0	0	0	111.1	K415	K415-P417 WeakPolarHBondContact O-CD 3.32Å
418	G	92.4	Very high	94.3	Very high	58 Å²	58	66.2 Å²	66.2	60%	0.598	37%	0.365	S	S	*	.	S	Bend	trans	128.2	-162.6	-176	0	0	0	0	0	113.3	K415 T416	K415-G418 PolarHBondContact NZ-O 2.83Å; T416-G418 PolarHBondContact O-N 3.32Å
419	M	87.1	Confident	94.2	Very high	191 Å²	191	68.9 Å²	68.9	94%	0.941	38%	0.379	S	S	*	.	S	Bend	trans	-83.4	-19.7	-172.1	-66.7	-65.5	-71.2	0	0	114.5
420	G	87.5	Confident	94.2	Very high	35 Å²	35	70.3 Å²	70.3	36%	0.361	39%	0.388	S	S	.	.	S	Bend	trans	-79	171	-178.2	0	0	0	0	0	114.3	K415	K415-G420 PolarHBondContact NZ-O 2.82Å
421	F	86.7	Confident	94	Very high	182 Å²	182	69 Å²	69	80%	0.798	38%	0.383	S	S	*	.			trans	-104.1	5.1	174	-74.1	-79.8	0	0	0	113.5
422	D	91.1	Very high	93.8	Very high	102 Å²	102	69.1 Å²	69.1	55%	0.545	38%	0.383	S	S	.	.			trans	-60.7	144	177.6	-57.1	-52.7	0	0	0	111.1	T416	T416-D422 VanDerWaalsContact CB-O 3.27Å; T416-D422 WeakPolarHBondContact CB-O 3.27Å; T416-D422 PolarHBondContact N-O 2.89Å; T416-D422 PolarHBondContact OG1-O 3.16Å
423	I	93.7	Very high	93.3	Very high	28 Å²	28	70 Å²	70	14%	0.144	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.4	177.7	59.1	172	0	0	0	111.6	F388 Q392 V393 M413 T414	F388-I423 HydrophobicContact CB-CD1 3.95Å; F388-I423 HydrophobicContact CD1-CD1 3.82Å; F388-I423 HydrophobicContact CD1-CG1 4.23Å; F388-I423 HydrophobicContact CD1-CG2 3.75Å; F388-I423 HydrophobicContact CD2-CD1 4.09Å; F388-I423 HydrophobicContact CE1-CD1 4.33Å; F388-I423 HydrophobicContact CE1-CG2 3.34Å; F388-I423 HydrophobicContact CG-CD1 3.68Å; F388-I423 HydrophobicContact CZ-CG2 3.87Å; Q392-I423 HydrophobicContact CB-CD1 3.87Å; Q392-I423 HydrophobicContact CB-CG1 4.04Å; V393-I423 HydrophobicContact CG2-CD1 3.67Å; M413-I423 HydrophobicContact CE-CB 4.33Å; M413-I423 HydrophobicContact CE-CD1 3.88Å; M413-I423 HydrophobicContact CE-CG1 4.1Å; T414-I423 CarbonylContact O-C 3.58Å; T414-I423 VanDerWaalsContact O-CA 3.3Å; T414-I423 WeakPolarHBondContact O-CA 3.33Å
424	T	94.5	Very high	93	Very high	53 Å²	53	73.4 Å²	73.4	33%	0.325	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152	176.1	-175.1	0	0	0	0	110.5	M413 T414	M413-T424 WeakPolarHBondContact CA-O 3.33Å; T414-T424 HydrophobicContact CG2-CG2 3.86Å; T414-T424 PolarHBondContact N-O 2.97Å; T414-T424 PolarHBondContact O-N 3.26Å
425	E	96.4	Very high	92.9	Very high	23 Å²	23	78.2 Å²	78.2	11%	0.107	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.9	167.1	-68.9	174.7	88.3	0	0	110.2	K394 K411 M412 M413 T514 Y515	K394-E425 HydrophobicContact CB-CG 4.09Å; K394-E425 HydrophobicContact CG-CG 3.85Å; K411-E425 IonicContact NZ-OE1 3.83Å; M412-E425 CarbonylContact O-C 3.55Å; M412-E425 WeakPolarHBondContact O-CA 3.44Å; M413-E425 HydrophobicContact CE-CG 4.1Å; M413-E425 HydrophobicContact SD-CB 4.47Å; M413-E425 HydrophobicContact SD-CG 3.62Å; E425-T514 VanDerWaalsContact OE2-CB 3.28Å; E425-T514 WeakPolarHBondContact OE2-CB 3.5Å; E425-T514 PolarHBondContact OE2-OG1 3.3Å; E425-Y515 HydrophobicContact CB-CD2 3.9Å; E425-Y515 PolarHBondContact OE2-N 3.23Å
426	T	95.7	Very high	92.6	Very high	46 Å²	46	78.2 Å²	78.2	28%	0.282	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-171.7	172	-165.5	0	0	0	0	109.6	K411 M412 T414	K411-T426 CarbonylContact C-O 3.6Å; K411-T426 VanDerWaalsContact CA-O 3.29Å; K411-T426 WeakPolarHBondContact CA-O 3.45Å; M412-T426 HydrophobicContact CG-CG2 4.12Å; M412-T426 PolarHBondContact N-O 2.84Å; M412-T426 PolarHBondContact O-N 2.86Å; T414-T426 HydrophobicContact CG2-CG2 3.34Å
427	E	96.9	Very high	92.2	Very high	46 Å²	46	84 Å²	84	22%	0.215	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.2	-179.4	65.6	-72.7	167.5	0	0	112.8	F410 D429 Y515 W517	F410-E427 VanDerWaalsContact O-CA 3.24Å; F410-E427 WeakPolarHBondContact O-CA 3.4Å; E427-D429 HydrophobicContact CG-CB 4.28Å; E427-Y515 WeakPolarHBondContact OE2-CE2 3.33Å; E427-Y515 VanDerWaalsContact OE2-CZ 3.3Å; E427-Y515 PolarHBondContact OE2-OH 2.92Å; E427-W517 PolarHBondContact OE1-NE1 3.19Å
428	L	96.9	Very high	91.7	Very high	113 Å²	113	86.7 Å²	86.7	59%	0.592	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	119	157	-58.6	177.3	0	0	0	107.1	Y409 F410 M412	Y409-L428 CarbonylContact C-O 3.54Å; Y409-L428 WeakPolarHBondContact CA-O 3.5Å; F410-L428 PolarHBondContact N-O 2.65Å; F410-L428 PolarHBondContact O-N 2.82Å; M412-L428 HydrophobicContact SD-CD1 4Å; M412-L428 HydrophobicContact SD-CD2 4.49Å; M412-L428 HydrophobicContact SD-CG 3.93Å
429	D	96.7	Very high	91.2	Very high	72 Å²	72	87 Å²	87	39%	0.385	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138	-169.9	-174.6	-92	0	0	0	112.9	Y409 E427 T431	Y409-D429 WeakPolarHBondContact CB-OD2 3.36Å; E427-D429 HydrophobicContact CG-CB 4.28Å; D429-T431 WeakPolarHBondContact OD1-CB 3.46Å; D429-T431 PolarHBondContact OD1-N 3.41Å; D429-T431 PolarHBondContact OD1-OG1 3.27Å; D429-T431 PolarHBondContact OD2-OG1 3.35Å
430	L	96.1	Very high	90.8	Very high	56 Å²	56	79.1 Å²	79.1	29%	0.293	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	94.1	164.3	173.1	62.5	0	0	0	108.3	A407 V408 Y432 R435 Y436	A407-L430 CarbonylContact C-O 3.59Å; A407-L430 WeakPolarHBondContact CA-O 3.36Å; V408-L430 PolarHBondContact N-O 3.28Å; V408-L430 PolarHBondContact O-N 2.94Å; L430-Y432 HydrophobicContact CD2-CE2 4.32Å; L430-Y432 HydrophobicContact CG-CE2 4.42Å; L430-R435 HydrophobicContact CD1-CB 3.74Å; L430-R435 HydrophobicContact CD1-CG 3.66Å; L430-Y436 HydrophobicContact CD1-CE2 4.07Å
431	T	94.4	Very high	90.5	Very high	16 Å²	16	79.1 Å²	79.1	10%	0.098	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120	169.7	-64.5	0	0	0	0	110.3	D429 N433 E434 R435	D429-T431 WeakPolarHBondContact OD1-CB 3.46Å; D429-T431 PolarHBondContact OD1-N 3.41Å; D429-T431 PolarHBondContact OD1-OG1 3.27Å; D429-T431 PolarHBondContact OD2-OG1 3.35Å; T431-N433 PolarHBondContact O-N 3.02Å; T431-E434 HydrophobicContact CG2-CB 4.44Å; T431-E434 HydrophobicContact CG2-CG 3.99Å; T431-E434 PolarHBondContact O-N 3.36Å; T431-E434 VanDerWaalsContact O-N 3.11Å; T431-R435 PolarHBondContact O-N 3.4Å
432	Y	92.9	Very high	90.3	Very high	21 Å²	21	71.7 Å²	71.7	8%	0.082	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-46	-170.9	-85	-117.7	0	0	0	112.3	E212 M213 N216 E406 L430 E434 R435 Y436 L441	E212-Y432 HydrophobicContact CG-CE1 4.2Å; M213-Y432 HydrophobicContact CE-CE2 3.71Å; M213-Y432 HydrophobicContact SD-CD2 3.9Å; M213-Y432 HydrophobicContact SD-CE1 4.17Å; M213-Y432 HydrophobicContact SD-CE2 3.33Å; M213-Y432 WeakPolarHBondContact SD-CE2 3.36Å; N216-Y432 PolarHBondContact ND2-OH 2.87Å; E406-Y432 HydrophobicContact CB-CD2 4.17Å; E406-Y432 HydrophobicContact CB-CG 4.08Å; E406-Y432 WeakPolarHBondContact O-CB 3.18Å; E406-Y432 WeakPolarHBondContact O-CD2 3.38Å; E406-Y432 PolarHBondContact O-N 2.8Å; L430-Y432 HydrophobicContact CD2-CE2 4.32Å; L430-Y432 HydrophobicContact CG-CE2 4.42Å; Y432-E434 PolarHBondContact O-N 3.38Å; Y432-E434 VanDerWaalsContact O-N 3.13Å; Y432-R435 PolarHBondContact O-N 2.86Å; Y432-Y436 AromaticContact CD1-CD2 3.8Å; Y432-Y436 HydrophobicContact CD1-CD2 3.8Å; Y432-Y436 HydrophobicContact CD1-CE2 4.15Å; Y432-Y436 HydrophobicContact CE1-CD2 4.33Å; Y432-Y436 HydrophobicContact CE1-CE2 4.26Å; Y432-Y436 HydrophobicContact CG-CD2 4.09Å; Y432-Y436 HydrophobicContact CG-CE2 4.44Å; Y432-Y436 WeakPolarHBondContact O-CA 3.44Å; Y432-Y436 WeakPolarHBondContact O-CB 3.45Å; Y432-Y436 PolarHBondContact O-N 2.79Å; Y432-L441 HydrophobicContact CD1-CD1 4.23Å; Y432-L441 HydrophobicContact CD1-CD2 4.35Å
433	N	88.1	Confident	90	Very high	79 Å²	79	68.8 Å²	68.8	42%	0.422	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-19.6	180	-68.2	-17.2	0	0	0	113.2	N405 T431 K437	N405-N433 PolarHBondContact OD1-ND2 3.37Å; T431-N433 PolarHBondContact O-N 3.02Å; N433-K437 WeakPolarHBondContact O-CG 3.05Å
434	E	90.3	Very high	89.8	Confident	107 Å²	107	67.7 Å²	67.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-91.1	-40.4	175.4	-63.8	-171.4	175.9	0	0	111.9	T431 Y432 K437	T431-E434 HydrophobicContact CG2-CB 4.44Å; T431-E434 HydrophobicContact CG2-CG 3.99Å; T431-E434 PolarHBondContact O-N 3.36Å; T431-E434 VanDerWaalsContact O-N 3.11Å; Y432-E434 PolarHBondContact O-N 3.38Å; Y432-E434 VanDerWaalsContact O-N 3.13Å; E434-K437 WeakPolarHBondContact O-CE 3.47Å
435	R	92.2	Very high	89.7	Confident	157 Å²	157	65.8 Å²	65.8	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-83.4	-32.3	-175.6	-178.6	58.7	-175.4	78.6	-0.6	114	L430 T431 Y432	L430-R435 HydrophobicContact CD1-CB 3.74Å; L430-R435 HydrophobicContact CD1-CG 3.66Å; T431-R435 PolarHBondContact O-N 3.4Å; Y432-R435 PolarHBondContact O-N 2.86Å
436	Y	90.4	Very high	89.4	Confident	90 Å²	90	64.9 Å²	64.9	35%	0.353	31%	0.311	S	S	.	.			trans	-125.6	48.3	-172.8	-53.2	-67.3	0	0	0	111.2	L430 Y432 E438 V439	L430-Y436 HydrophobicContact CD1-CE2 4.07Å; Y432-Y436 AromaticContact CD1-CD2 3.8Å; Y432-Y436 HydrophobicContact CD1-CD2 3.8Å; Y432-Y436 HydrophobicContact CD1-CE2 4.15Å; Y432-Y436 HydrophobicContact CE1-CD2 4.33Å; Y432-Y436 HydrophobicContact CE1-CE2 4.26Å; Y432-Y436 HydrophobicContact CG-CD2 4.09Å; Y432-Y436 HydrophobicContact CG-CE2 4.44Å; Y432-Y436 WeakPolarHBondContact O-CA 3.44Å; Y432-Y436 WeakPolarHBondContact O-CB 3.45Å; Y432-Y436 PolarHBondContact O-N 2.79Å; Y436-E438 PolarHBondContact O-N 3.05Å; Y436-V439 PolarHBondContact O-N 3.3Å
437	K	83.6	Confident	89.2	Confident	171 Å²	171	65.3 Å²	65.3	74%	0.743	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.6	-174.4	-71.3	174.7	-177.4	175.2	0	115.4	N433 E434	N433-K437 WeakPolarHBondContact O-CG 3.05Å; E434-K437 WeakPolarHBondContact O-CE 3.47Å
438	E	83	Confident	89.1	Confident	175 Å²	175	63.1 Å²	63.1	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-10	-177.4	-62.1	-180	-179.9	0	0	112.7	T15 Y436	T15-E438 WeakPolarHBondContact CG2-O 3.46Å; Y436-E438 PolarHBondContact O-N 3.05Å
439	V	80.4	Confident	89	Confident	65 Å²	65	57.7 Å²	57.7	39%	0.394	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-88.3	122.1	-179	-178.6	0	0	0	0	108.9	Y436 L441	Y436-V439 PolarHBondContact O-N 3.3Å; V439-L441 HydrophobicContact CG1-CD2 4.45Å
440	H	78.4	Confident	88.8	Confident	25 Å²	25	55 Å²	55	12%	0.116	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-84.9	122.2	168.3	-177.4	45.5	0	0	0	109.6	S12 L14	S12-H440 PolarHBondContact O-CD2 3.31Å; S12-H440 PolarHBondContact OG-CD2 2.73Å; S12-H440 PolarHBondContact OG-CE1 3.15Å; S12-H440 PolarHBondContact OG-ND1 3.09Å; S12-H440 PolarHBondContact OG-NE2 3.26Å; L14-H440 HydrophobicContact CD2-CB 4.41Å
441	L	82.3	Confident	88.7	Confident	35 Å²	35	53.4 Å²	53.4	18%	0.183	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.5	122.2	172.5	-63	-178.1	0	0	0	109	E212 E406 Y432 V439	E212-L441 HydrophobicContact CB-CD1 4.38Å; E212-L441 HydrophobicContact CB-CD2 4.45Å; E212-L441 HydrophobicContact CG-CD1 4.31Å; E212-L441 HydrophobicContact CG-CD2 3.81Å; E406-L441 HydrophobicContact CB-CD1 4.28Å; E406-L441 HydrophobicContact CG-CD1 3.91Å; Y432-L441 HydrophobicContact CD1-CD1 4.23Å; Y432-L441 HydrophobicContact CD1-CD2 4.35Å; V439-L441 HydrophobicContact CG1-CD2 4.45Å
442	P	82.7	Confident	88.7	Confident	26 Å²	26	52.6 Å²	52.6	17%	0.169	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-65	145.2	178.7	27	-33.4	0	0	0	110.6	E446	P442-E446 HydrophobicContact CB-CB 4.21Å
443	E	83.9	Confident	88.7	Confident	40 Å²	40	52.3 Å²	52.3	19%	0.187	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.1	154.1	171.5	-76.2	-80	171.8	0	0	110.8	F10 Y445 E446 R447	F10-E443 HydrophobicContact CD2-CG 4.04Å; F10-E443 HydrophobicContact CE2-CB 4.22Å; F10-E443 HydrophobicContact CE2-CG 3.84Å; E443-Y445 PolarHBondContact O-N 3.41Å; E443-Y445 VanDerWaalsContact O-N 3.13Å; E443-E446 HydrophobicContact CB-CG 4.35Å; E443-E446 WeakPolarHBondContact CB-OE1 3.09Å; E443-E446 PolarHBondContact N-OE1 2.84Å; E443-E446 WeakPolarHBondContact O-CB 3.46Å; E443-E446 PolarHBondContact O-N 3.31Å; E443-R447 PolarHBondContact O-N 3.41Å
444	A	89.4	Confident	88.9	Confident	5 Å²	5	51.6 Å²	51.6	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-55.3	-39.1	-175.5	0	0	0	0	0	113.5	H207 G210 K211 R447 L448	H207-A444 HydrophobicContact CB-CB 4.41Å; H207-A444 WeakPolarHBondContact O-CB 3.32Å; G210-A444 WeakPolarHBondContact O-CA 3.29Å; K211-A444 HydrophobicContact CG-CB 4.31Å; A444-R447 PolarHBondContact O-N 3.02Å; A444-L448 WeakPolarHBondContact O-CB 3.14Å; A444-L448 VanDerWaalsContact O-CG 3.25Å; A444-L448 WeakPolarHBondContact O-CG 3.4Å; A444-L448 PolarHBondContact O-N 3.4Å
445	Y	92.3	Very high	88.9	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-33.2	177.2	-78	-79	0	0	0	113	K49 I50 T53 Y143 E176 I205 H207 E443 R447 L449	K49-Y445 HydrophobicContact CB-CD2 4.34Å; K49-Y445 HydrophobicContact CD-CD2 4.3Å; K49-Y445 HydrophobicContact CG-CD2 4.42Å; K49-Y445 HydrophobicContact CG-CE2 4.37Å; I50-Y445 HydrophobicContact CD1-CD1 3.98Å; I50-Y445 HydrophobicContact CD1-CE1 4.1Å; T53-Y445 WeakPolarHBondContact CG2-O 3.06Å; Y143-Y445 WeakPolarHBondContact OH-CE1 3.39Å; E176-Y445 WeakPolarHBondContact OE1-CE1 3.36Å; E176-Y445 PolarHBondContact OE1-OH 3.1Å; E176-Y445 VanDerWaalsContact OE1-OH 3.09Å; I205-Y445 HydrophobicContact CD1-CD1 4.42Å; I205-Y445 HydrophobicContact CD1-CE1 4.09Å; I205-Y445 HydrophobicContact CG2-CE1 4.37Å; H207-Y445 HydrophobicContact CB-CE2 4.32Å; E443-Y445 PolarHBondContact O-N 3.41Å; E443-Y445 VanDerWaalsContact O-N 3.13Å; Y445-R447 VanDerWaalsContact C-N 3.33Å; Y445-L449 VanDerWaalsContact O-CB 3.27Å; Y445-L449 WeakPolarHBondContact O-CB 3.35Å; Y445-L449 VanDerWaalsContact O-CG 3.29Å; Y445-L449 WeakPolarHBondContact O-CG 3.44Å; Y445-L449 PolarHBondContact O-N 3.47Å
446	E	90.9	Very high	88.9	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-46.6	176.3	-67.5	177.3	-96.1	0	0	110.4	T53 C56 L57 P442 E443 L450	T53-E446 VanDerWaalsContact CG2-CA 3.44Å; T53-E446 HydrophobicContact CG2-CB 4.18Å; T53-E446 HydrophobicContact CG2-CG 3.75Å; C56-E446 HydrophobicContact CB-CG 4.43Å; C56-E446 WeakPolarHBondContact CB-OE2 3.39Å; L57-E446 HydrophobicContact CD2-CB 4.4Å; P442-E446 HydrophobicContact CB-CB 4.21Å; E443-E446 HydrophobicContact CB-CG 4.35Å; E443-E446 WeakPolarHBondContact CB-OE1 3.09Å; E443-E446 PolarHBondContact N-OE1 2.84Å; E443-E446 WeakPolarHBondContact O-CB 3.46Å; E443-E446 PolarHBondContact O-N 3.31Å; E446-L450 VanDerWaalsContact O-CB 3.31Å; E446-L450 WeakPolarHBondContact O-CB 2.87Å; E446-L450 PolarHBondContact O-N 2.93Å; E446-L450 VanDerWaalsContact O-N 3.13Å
447	R	90.8	Very high	89	Confident	54 Å²	54	39.5 Å²	39.5	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-53.3	176.9	-171.6	174.9	-67.2	-95	2.1	112.1	E212 Q215 E443 A444 Y445 L449 L450 E451	E212-R447 IonicContact OE2-CZ 3.7Å; E212-R447 IonicContact OE2-NH2 3.53Å; E212-R447 PolarHBondContact OE2-NH2 3.22Å; Q215-R447 VanDerWaalsContact CD-CD 3.46Å; Q215-R447 VanDerWaalsContact NE2-CD 3.28Å; Q215-R447 VanDerWaalsContact OE1-CD 3.23Å; Q215-R447 VanDerWaalsContact OE1-CZ 3.23Å; E443-R447 PolarHBondContact O-N 3.41Å; A444-R447 PolarHBondContact O-N 3.02Å; Y445-R447 VanDerWaalsContact C-N 3.33Å; R447-L449 PolarHBondContact O-N 2.98Å; R447-L450 WeakPolarHBondContact O-CB 3.43Å; R447-L450 PolarHBondContact O-N 3.35Å; R447-E451 WeakPolarHBondContact CG-OE1 3.39Å; R447-E451 WeakPolarHBondContact O-CG 3.34Å; R447-E451 PolarHBondContact O-N 3.49Å
448	L	94.3	Very high	89.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-177.2	-69.5	174.1	0	0	0	112	I205 H207 A444 L450 E451 V452 D459 F460	I205-L448 HydrophobicContact CG2-CD1 4.23Å; H207-L448 HydrophobicContact CB-CD1 4.45Å; A444-L448 WeakPolarHBondContact O-CB 3.14Å; A444-L448 VanDerWaalsContact O-CG 3.25Å; A444-L448 WeakPolarHBondContact O-CG 3.4Å; A444-L448 PolarHBondContact O-N 3.4Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 3.16Å; L448-E451 PolarHBondContact O-N 2.69Å; L448-V452 WeakPolarHBondContact O-CG2 3.34Å; L448-V452 PolarHBondContact O-N 2.87Å; L448-V452 VanDerWaalsContact O-N 3.08Å; L448-D459 HydrophobicContact CD2-CB 3.7Å; L448-D459 WeakPolarHBondContact CD2-O 3.5Å; L448-F460 HydrophobicContact CB-CE1 4.48Å; L448-F460 HydrophobicContact CB-CZ 4.06Å; L448-F460 HydrophobicContact CD2-CE1 4.27Å; L448-F460 HydrophobicContact CD2-CE2 4.16Å; L448-F460 HydrophobicContact CD2-CZ 3.86Å; L448-F460 WeakPolarHBondContact O-CZ 3.46Å
449	L	95.8	Very high	89.9	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-41.8	177.8	-72	-166.3	0	0	0	111.5	F36 I50 T53 L54 L57 Y143 I174 Y445 R447 E451 V452 F453	F36-L449 HydrophobicContact CE2-CD2 4.13Å; F36-L449 HydrophobicContact CZ-CD1 4.12Å; F36-L449 HydrophobicContact CZ-CD2 3.83Å; I50-L449 HydrophobicContact CG2-CD1 4.28Å; T53-L449 HydrophobicContact CG2-CB 4.31Å; T53-L449 HydrophobicContact CG2-CD1 3.59Å; T53-L449 HydrophobicContact CG2-CG 4.13Å; L54-L449 HydrophobicContact CD2-CD1 4Å; L54-L449 HydrophobicContact CG-CD1 4.11Å; L57-L449 HydrophobicContact CD1-CB 3.99Å; Y143-L449 HydrophobicContact CD2-CD2 3.78Å; Y143-L449 HydrophobicContact CE2-CD2 3.58Å; I174-L449 HydrophobicContact CD1-CD2 3.77Å; Y445-L449 VanDerWaalsContact O-CB 3.27Å; Y445-L449 WeakPolarHBondContact O-CB 3.35Å; Y445-L449 VanDerWaalsContact O-CG 3.29Å; Y445-L449 WeakPolarHBondContact O-CG 3.44Å; Y445-L449 PolarHBondContact O-N 3.47Å; R447-L449 PolarHBondContact O-N 2.98Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 3.11Å; L449-V452 PolarHBondContact O-N 3.26Å; L449-F453 VanDerWaalsContact O-CD2 3.29Å; L449-F453 WeakPolarHBondContact O-CD2 3.29Å; L449-F453 PolarHBondContact O-N 3.02Å
450	L	93.2	Very high	90.6	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.6	176.2	-175	60.7	0	0	0	111.5	L22 L26 L57 L62 E446 R447 L448 V452 F453 C454	L22-L450 HydrophobicContact CD1-CD2 4.45Å; L22-L450 HydrophobicContact CD2-CD2 4.2Å; L26-L450 HydrophobicContact CD1-CD1 4.25Å; L26-L450 HydrophobicContact CD2-CD1 4.09Å; L57-L450 HydrophobicContact CD1-CB 4.43Å; L57-L450 HydrophobicContact CD2-CB 4.2Å; L62-L450 HydrophobicContact CB-CD1 4.04Å; L62-L450 HydrophobicContact CD1-CD2 4.31Å; L62-L450 WeakPolarHBondContact O-CD1 3.37Å; E446-L450 VanDerWaalsContact O-CB 3.31Å; E446-L450 WeakPolarHBondContact O-CB 2.87Å; E446-L450 PolarHBondContact O-N 2.93Å; E446-L450 VanDerWaalsContact O-N 3.13Å; R447-L450 WeakPolarHBondContact O-CB 3.43Å; R447-L450 PolarHBondContact O-N 3.35Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 3.16Å; L450-V452 VanDerWaalsContact C-N 3.26Å; L450-V452 PolarHBondContact O-N 3.06Å; L450-F453 WeakPolarHBondContact O-CA 3.42Å; L450-F453 WeakPolarHBondContact O-CB 3.39Å; L450-F453 PolarHBondContact O-N 2.86Å; L450-C454 PolarHBondContact O-N 3.4Å; L450-C454 PolarHBondContact O-SG 2.95Å
451	E	92.7	Very high	91.5	Very high	23 Å²	23	22.3 Å²	22.3	11%	0.107	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-33.9	176.7	-74.9	178.5	-160.8	0	0	113.1	Q215 R447 L448 L449 F453 C454 G455 S456 D459 F460	Q215-E451 PolarHBondContact NE2-OE1 3.46Å; R447-E451 WeakPolarHBondContact CG-OE1 3.39Å; R447-E451 WeakPolarHBondContact O-CG 3.34Å; R447-E451 PolarHBondContact O-N 3.49Å; L448-E451 PolarHBondContact O-N 2.69Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 3.11Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.29Å; E451-C454 CarbonylContact O-C 3.59Å; E451-C454 PolarHBondContact O-N 3.5Å; E451-G455 PolarHBondContact O-N 3.32Å; E451-S456 PolarHBondContact O-N 2.83Å; E451-D459 WeakPolarHBondContact OE2-CB 3.32Å; E451-F460 HydrophobicContact CB-CE2 4.02Å
452	V	95.3	Very high	92.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-32.9	172.8	-175.4	0	0	0	0	111.4	I141 R172 I174 Y203 L448 L449 L450 F460	I141-V452 HydrophobicContact CD1-CG1 3.97Å; I141-V452 HydrophobicContact CG1-CG1 4.13Å; I141-V452 HydrophobicContact CG2-CG1 4Å; R172-V452 HydrophobicContact CB-CG1 4.15Å; R172-V452 VanDerWaalsContact CD-O 3.28Å; R172-V452 WeakPolarHBondContact CD-O 3.48Å; R172-V452 PolarHBondContact NH1-O 2.86Å; I174-V452 HydrophobicContact CD1-CB 4.1Å; I174-V452 HydrophobicContact CD1-CG1 3.85Å; I174-V452 HydrophobicContact CD1-CG2 3.73Å; I174-V452 HydrophobicContact CG1-CB 4.48Å; I174-V452 HydrophobicContact CG1-CG1 3.95Å; I174-V452 HydrophobicContact CG1-CG2 3.87Å; Y203-V452 HydrophobicContact CD1-CB 4.25Å; Y203-V452 HydrophobicContact CD1-CG1 4.22Å; Y203-V452 HydrophobicContact CD1-CG2 3.57Å; Y203-V452 HydrophobicContact CD2-CG1 4.37Å; Y203-V452 HydrophobicContact CE1-CB 4.38Å; Y203-V452 HydrophobicContact CE1-CG1 4.33Å; Y203-V452 HydrophobicContact CE1-CG2 4.14Å; Y203-V452 HydrophobicContact CG-CG1 4.23Å; Y203-V452 HydrophobicContact CG-CG2 4Å; L448-V452 WeakPolarHBondContact O-CG2 3.34Å; L448-V452 PolarHBondContact O-N 2.87Å; L448-V452 VanDerWaalsContact O-N 3.08Å; L449-V452 PolarHBondContact O-N 3.26Å; L450-V452 VanDerWaalsContact C-N 3.26Å; L450-V452 PolarHBondContact O-N 3.06Å; V452-F460 HydrophobicContact CG2-CE1 3.85Å; V452-F460 HydrophobicContact CG2-CE2 4.27Å; V452-F460 HydrophobicContact CG2-CZ 3.46Å; V452-F460 VanDerWaalsContact CG2-CZ 3.46Å
453	F	93.4	Very high	92.7	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-67.8	-43.5	171.2	-80.4	-90.1	0	0	0	110.9	H34 F36 L54 L63 P64 T67 I141 R172 L449 L450 E451 G455	H34-F453 HydrophobicContact CB-CE1 4.02Å; H34-F453 AromaticContact CD2-CD1 3.9Å; F36-F453 AromaticContact CD2-CE2 3.74Å; F36-F453 HydrophobicContact CD2-CE2 3.74Å; F36-F453 AromaticContact CD2-CZ 3.67Å; F36-F453 HydrophobicContact CD2-CZ 3.67Å; F36-F453 AromaticContact CE2-CE2 3.98Å; F36-F453 HydrophobicContact CE2-CE2 3.98Å; F36-F453 HydrophobicContact CE2-CZ 4.38Å; L54-F453 HydrophobicContact CD2-CE2 4.28Å; L63-F453 HydrophobicContact CD2-CD2 3.86Å; L63-F453 HydrophobicContact CD2-CE1 4.28Å; L63-F453 HydrophobicContact CD2-CE2 3.56Å; L63-F453 HydrophobicContact CD2-CG 4.38Å; L63-F453 HydrophobicContact CD2-CZ 3.78Å; P64-F453 HydrophobicContact CG-CD1 4.13Å; T67-F453 HydrophobicContact CG2-CE1 4.09Å; T67-F453 HydrophobicContact CG2-CZ 4.07Å; I141-F453 HydrophobicContact CD1-CD1 3.81Å; I141-F453 HydrophobicContact CD1-CD2 3.81Å; I141-F453 HydrophobicContact CD1-CE1 3.79Å; I141-F453 HydrophobicContact CD1-CE2 3.76Å; I141-F453 HydrophobicContact CD1-CG 3.82Å; I141-F453 HydrophobicContact CD1-CZ 3.76Å; R172-F453 PolarHBondContact NH1-O 2.76Å; L449-F453 VanDerWaalsContact O-CD2 3.29Å; L449-F453 WeakPolarHBondContact O-CD2 3.29Å; L449-F453 PolarHBondContact O-N 3.02Å; L450-F453 WeakPolarHBondContact O-CA 3.42Å; L450-F453 WeakPolarHBondContact O-CB 3.39Å; L450-F453 PolarHBondContact O-N 2.86Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.29Å; F453-G455 VanDerWaalsContact C-N 3.25Å; F453-G455 PolarHBondContact O-N 3.37Å
454	C	90.5	Very high	93.3	Very high	64 Å²	64	23.1 Å²	23.1	43%	0.432	13%	0.128	S	C	.	.	H	α-helix	trans	-65.9	-26.6	177	-52.6	0	0	0	0	113.4	L26 L450 E451	L26-C454 WeakPolarHBondContact CD2-SG 3.41Å; L450-C454 PolarHBondContact O-N 3.4Å; L450-C454 PolarHBondContact O-SG 2.95Å; E451-C454 CarbonylContact O-C 3.59Å; E451-C454 PolarHBondContact O-N 3.5Å
455	G	91.8	Very high	93.6	Very high	24 Å²	24	22.9 Å²	22.9	25%	0.247	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	11.9	-170.6	0	0	0	0	0	114.7	Y203 E451 F453	Y203-G455 WeakPolarHBondContact OH-CA 3.44Å; Y203-G455 PolarHBondContact OH-O 2.9Å; E451-G455 PolarHBondContact O-N 3.32Å; F453-G455 VanDerWaalsContact C-N 3.25Å; F453-G455 PolarHBondContact O-N 3.37Å
456	S	91.8	Very high	93.8	Very high	34 Å²	34	22.5 Å²	22.5	24%	0.238	13%	0.125	C	C	.	.			trans	-72.6	127.8	173.6	178.1	0	0	0	0	110	Y203 E451 I458 F460	Y203-S456 WeakPolarHBondContact CE1-O 2.87Å; E451-S456 PolarHBondContact O-N 2.83Å; S456-I458 PolarHBondContact OG-N 3.32Å; S456-F460 WeakPolarHBondContact O-CE2 3.22Å
457	Q	92.8	Very high	94	Very high	43 Å²	43	25.4 Å²	25.4	20%	0.201	14%	0.138	C	C	.	.			trans	-105.7	10.8	175.2	-68.8	-170.1	-65.7	0	0	113	E199 I202 Y203 A287 H291 D459 F460	E199-Q457 PolarHBondContact O-NE2 3.4Å; I202-Q457 PolarHBondContact O-NE2 3.17Å; I202-Q457 VanDerWaalsContact O-NE2 3.12Å; Y203-Q457 HydrophobicContact CD1-CG 4.37Å; Y203-Q457 HydrophobicContact CE1-CG 3.67Å; Y203-Q457 HydrophobicContact CE2-CG 4.38Å; A287-Q457 HydrophobicContact CB-CB 4.1Å; H291-Q457 PolarHBondContact CE1-O 2.78Å; H291-Q457 PolarHBondContact NE2-O 2.94Å; Q457-D459 VanDerWaalsContact C-N 3.32Å; Q457-D459 PolarHBondContact O-N 2.9Å; Q457-F460 PolarHBondContact O-N 2.99Å
458	I	91.4	Very high	94.4	Very high	49 Å²	49	24 Å²	24	25%	0.251	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-46.5	-173.9	-64.3	172.6	0	0	0	110.9	A287 I290 H291 S456 F460	A287-I458 HydrophobicContact CB-CG1 3.75Å; I290-I458 HydrophobicContact CD1-CD1 4.37Å; I290-I458 HydrophobicContact CD1-CG1 4.31Å; I290-I458 HydrophobicContact CD1-CG2 3.84Å; H291-I458 PolarHBondContact CE1-O 2.89Å; H291-I458 VanDerWaalsContact CE1-O 3.29Å; S456-I458 PolarHBondContact OG-N 3.32Å; I458-F460 VanDerWaalsContact C-N 3.35Å; I458-F460 PolarHBondContact O-N 3.43Å
459	D	93.4	Very high	94.5	Very high	14 Å²	14	24 Å²	24	8%	0.075	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	28.5	-173.8	-63	-66.9	0	0	0	113.6	L209 Q215 L448 E451 Q457	L209-D459 HydrophobicContact CB-CB 3.81Å; L209-D459 WeakPolarHBondContact CB-O 3.35Å; L209-D459 WeakPolarHBondContact CD1-O 3.48Å; Q215-D459 VanDerWaalsContact NE2-CG 3.27Å; Q215-D459 PolarHBondContact NE2-OD2 3.36Å; L448-D459 HydrophobicContact CD2-CB 3.7Å; L448-D459 WeakPolarHBondContact CD2-O 3.5Å; E451-D459 WeakPolarHBondContact OE2-CB 3.32Å; Q457-D459 VanDerWaalsContact C-N 3.32Å; Q457-D459 PolarHBondContact O-N 2.9Å
460	F	95.9	Very high	94.6	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-122.8	145.6	177.6	-64	-88.8	0	0	0	111.3	Y203 I205 H291 L448 E451 V452 S456 Q457 I458 R462	Y203-F460 AromaticContact CD1-CD1 3.8Å; Y203-F460 HydrophobicContact CD1-CD1 3.8Å; Y203-F460 AromaticContact CD1-CD2 3.65Å; Y203-F460 HydrophobicContact CD1-CD2 3.65Å; Y203-F460 AromaticContact CD1-CE1 3.81Å; Y203-F460 HydrophobicContact CD1-CE1 3.81Å; Y203-F460 AromaticContact CD1-CE2 3.66Å; Y203-F460 HydrophobicContact CD1-CE2 3.66Å; Y203-F460 AromaticContact CD1-CG 3.72Å; Y203-F460 HydrophobicContact CD1-CG 3.72Å; Y203-F460 AromaticContact CD1-CZ 3.75Å; Y203-F460 HydrophobicContact CD1-CZ 3.75Å; Y203-F460 HydrophobicContact CE1-CD2 4.18Å; Y203-F460 HydrophobicContact CE1-CE2 4.16Å; Y203-F460 HydrophobicContact CG-CD1 4.19Å; Y203-F460 HydrophobicContact CG-CE1 4.31Å; Y203-F460 HydrophobicContact CG-CG 4.39Å; I205-F460 HydrophobicContact CG1-CD1 4.48Å; I205-F460 HydrophobicContact CG1-CE1 4.05Å; H291-F460 PolarHBondContact CE1-O 2.82Å; H291-F460 PolarHBondContact NE2-O 3.18Å; L448-F460 HydrophobicContact CB-CE1 4.48Å; L448-F460 HydrophobicContact CB-CZ 4.06Å; L448-F460 HydrophobicContact CD2-CE1 4.27Å; L448-F460 HydrophobicContact CD2-CE2 4.16Å; L448-F460 HydrophobicContact CD2-CZ 3.86Å; L448-F460 WeakPolarHBondContact O-CZ 3.46Å; E451-F460 HydrophobicContact CB-CE2 4.02Å; V452-F460 HydrophobicContact CG2-CE1 3.85Å; V452-F460 HydrophobicContact CG2-CE2 4.27Å; V452-F460 HydrophobicContact CG2-CZ 3.46Å; V452-F460 VanDerWaalsContact CG2-CZ 3.46Å; S456-F460 WeakPolarHBondContact O-CE2 3.22Å; Q457-F460 PolarHBondContact O-N 2.99Å; I458-F460 VanDerWaalsContact C-N 3.35Å; I458-F460 PolarHBondContact O-N 3.43Å; F460-R462 PolarHBondContact O-N 2.91Å
461	V	96.1	Very high	94.9	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	14%	0.144	C	C	.	.			trans	-78.5	123	-176.3	-172.8	0	0	0	0	110.9	R204 D206 L209 E465 L466	R204-V461 HydrophobicContact CB-CB 3.98Å; R204-V461 WeakPolarHBondContact CB-O 3.33Å; R204-V461 WeakPolarHBondContact CD-O 3.34Å; R204-V461 PolarHBondContact NH1-O 2.94Å; R204-V461 PolarHBondContact O-N 3.31Å; R204-V461 VanDerWaalsContact O-N 3.08Å; D206-V461 HydrophobicContact CB-CG2 3.85Å; L209-V461 HydrophobicContact CD1-CG2 4.36Å; V461-E465 HydrophobicContact CG1-CB 4.27Å; V461-E465 HydrophobicContact CG1-CG 3.93Å; V461-L466 HydrophobicContact CG1-CB 4.03Å
462	R	95.1	Very high	95.1	Very high	37 Å²	37	25.7 Å²	25.7	14%	0.14	14%	0.139	C	C	.	.			trans	-80	153.9	176.7	-157.9	169.6	69.4	-176.6	0.7	111.5	E199 N292 F460 D464 E465 L466	E199-R462 HydrophobicContact CG-CG 4.01Å; E199-R462 WeakPolarHBondContact OE1-CA 3.41Å; E199-R462 WeakPolarHBondContact OE1-CG 3.44Å; N292-R462 PolarHBondContact OD1-NH1 2.95Å; N292-R462 PolarHBondContact OD1-NH2 2.93Å; F460-R462 PolarHBondContact O-N 2.91Å; R462-D464 VanDerWaalsContact C-N 3.32Å; R462-D464 WeakPolarHBondContact CB-OD1 3.23Å; R462-D464 VanDerWaalsContact CG-OD1 3.3Å; R462-D464 WeakPolarHBondContact CG-OD1 3.46Å; R462-D464 IonicContact CZ-OD1 3.19Å; R462-D464 IonicContact CZ-OD2 2.59Å; R462-D464 IonicContact NE-OD1 3.58Å; R462-D464 PolarHBondContact NE-OD1 2.87Å; R462-D464 IonicContact NE-OD2 3.33Å; R462-D464 PolarHBondContact NE-OD2 3.36Å; R462-D464 IonicContact NH2-OD1 3.61Å; R462-D464 IonicContact NH2-OD2 2.79Å; R462-D464 PolarHBondContact NH2-OD2 3.36Å; R462-D464 PolarHBondContact O-N 2.87Å; R462-E465 HydrophobicContact CB-CB 4.34Å; R462-E465 WeakPolarHBondContact O-CB 3.27Å; R462-E465 PolarHBondContact O-N 2.82Å; R462-L466 PolarHBondContact O-N 3.4Å
463	S	95.1	Very high	95.3	Very high	26 Å²	26	25.7 Å²	25.7	18%	0.182	14%	0.139	C	C	.	.	H	α-helix	trans	-54.2	-43.1	-177.8	-71.7	0	0	0	0	114.2	E199 R204 H467	E199-S463 PolarHBondContact OE1-N 3.32Å; E199-S463 PolarHBondContact OE1-OG 3.01Å; E199-S463 VanDerWaalsContact OE1-OG 3.1Å; E199-S463 PolarHBondContact OE2-OG 3.16Å; R204-S463 PolarHBondContact NH2-OG 2.82Å; S463-H467 PolarHBondContact O-N 3.47Å
464	D	96.3	Very high	95.5	Very high	55 Å²	55	25.8 Å²	25.8	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-74.8	-34.8	179.8	58.6	-19.3	0	0	0	112.7	R462 L466 H467 E468	R462-D464 VanDerWaalsContact C-N 3.32Å; R462-D464 WeakPolarHBondContact CB-OD1 3.23Å; R462-D464 VanDerWaalsContact CG-OD1 3.3Å; R462-D464 WeakPolarHBondContact CG-OD1 3.46Å; R462-D464 IonicContact CZ-OD1 3.19Å; R462-D464 IonicContact CZ-OD2 2.59Å; R462-D464 IonicContact NE-OD1 3.58Å; R462-D464 PolarHBondContact NE-OD1 2.87Å; R462-D464 IonicContact NE-OD2 3.33Å; R462-D464 PolarHBondContact NE-OD2 3.36Å; R462-D464 IonicContact NH2-OD1 3.61Å; R462-D464 IonicContact NH2-OD2 2.79Å; R462-D464 PolarHBondContact NH2-OD2 3.36Å; R462-D464 PolarHBondContact O-N 2.87Å; D464-L466 VanDerWaalsContact C-N 3.33Å; D464-H467 WeakPolarHBondContact O-CB 3.45Å; D464-H467 PolarHBondContact O-N 2.93Å; D464-E468 WeakPolarHBondContact O-CG 3.35Å; D464-E468 PolarHBondContact O-N 3.28Å
465	E	96.6	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-46.7	169.6	173.3	166.9	-149.5	0	0	111.3	Q272 H291 K294 V295 L298 V461 R462 H467 E468 A469	Q272-E465 VanDerWaalsContact CD-OE1 3.22Å; Q272-E465 VanDerWaalsContact NE2-CD 3.25Å; Q272-E465 PolarHBondContact NE2-OE1 2.93Å; Q272-E465 PolarHBondContact OE1-OE1 3.43Å; H291-E465 IonicContact ND1-OE2 3.25Å; K294-E465 WeakPolarHBondContact CE-OE1 3.4Å; K294-E465 IonicContact NZ-OE1 2.73Å; K294-E465 PolarHBondContact NZ-OE1 3.41Å; K294-E465 IonicContact NZ-OE2 2.89Å; K294-E465 PolarHBondContact NZ-OE2 3.1Å; V295-E465 HydrophobicContact CG2-CB 3.88Å; L298-E465 HydrophobicContact CD1-CB 4.43Å; L298-E465 HydrophobicContact CD1-CG 3.76Å; V461-E465 HydrophobicContact CG1-CB 4.27Å; V461-E465 HydrophobicContact CG1-CG 3.93Å; R462-E465 HydrophobicContact CB-CB 4.34Å; R462-E465 WeakPolarHBondContact O-CB 3.27Å; R462-E465 PolarHBondContact O-N 2.82Å; E465-H467 VanDerWaalsContact C-N 3.32Å; E465-H467 PolarHBondContact O-N 3.2Å; E465-E468 PolarHBondContact O-N 2.75Å; E465-A469 WeakPolarHBondContact O-CB 3.38Å; E465-A469 PolarHBondContact O-N 2.83Å
466	L	95.9	Very high	96.1	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-38.3	177.6	-174.8	64	0	0	0	112.2	F179 S186 V461 R462 D464 A469 W470	F179-L466 HydrophobicContact CB-CD1 3.98Å; F179-L466 HydrophobicContact CB-CD2 3.45Å; F179-L466 VanDerWaalsContact CB-CD2 3.45Å; F179-L466 HydrophobicContact CB-CG 4.33Å; F179-L466 HydrophobicContact CD2-CD1 4.13Å; F179-L466 HydrophobicContact CD2-CD2 4.46Å; F179-L466 HydrophobicContact CG-CD1 4.43Å; F179-L466 HydrophobicContact CG-CD2 4.06Å; S186-L466 WeakPolarHBondContact OG-CD2 3.33Å; V461-L466 HydrophobicContact CG1-CB 4.03Å; R462-L466 PolarHBondContact O-N 3.4Å; D464-L466 VanDerWaalsContact C-N 3.33Å; L466-A469 PolarHBondContact O-N 2.82Å; L466-W470 VanDerWaalsContact O-CD1 3.23Å; L466-W470 PolarHBondContact O-N 2.91Å
467	H	96.7	Very high	96.4	Very high	66 Å²	66	23.6 Å²	23.6	31%	0.306	12%	0.12	S	C	.	.	H	α-helix	trans	-60.2	-49.8	175.9	177.6	70.1	0	0	0	111.9	S463 D464 E465 A469 W470 R471	S463-H467 PolarHBondContact O-N 3.47Å; D464-H467 WeakPolarHBondContact O-CB 3.45Å; D464-H467 PolarHBondContact O-N 2.93Å; E465-H467 VanDerWaalsContact C-N 3.32Å; E465-H467 PolarHBondContact O-N 3.2Å; H467-A469 VanDerWaalsContact C-N 3.35Å; H467-A469 PolarHBondContact O-N 3.18Å; H467-W470 PolarHBondContact O-N 2.9Å; H467-R471 PolarHBondContact O-N 3.37Å
468	E	97.9	Very high	96.5	Very high	23 Å²	23	27.8 Å²	27.8	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-39.5	179.1	-66	-62.7	147.8	0	0	111.7	V295 L298 K299 D464 E465 W470 R471 I472	V295-E468 HydrophobicContact CG1-CG 4.48Å; L298-E468 HydrophobicContact CB-CB 3.6Å; L298-E468 HydrophobicContact CB-CG 4.25Å; L298-E468 HydrophobicContact CD1-CB 4.11Å; L298-E468 HydrophobicContact CG-CB 4.46Å; K299-E468 HydrophobicContact CG-CG 3.99Å; D464-E468 WeakPolarHBondContact O-CG 3.35Å; D464-E468 PolarHBondContact O-N 3.28Å; E465-E468 PolarHBondContact O-N 2.75Å; E468-W470 VanDerWaalsContact C-N 3.3Å; E468-W470 PolarHBondContact O-N 3.11Å; E468-R471 WeakPolarHBondContact O-CB 3.34Å; E468-R471 PolarHBondContact O-N 3.17Å; E468-R471 VanDerWaalsContact O-N 3.13Å; E468-R471 IonicContact OE2-CZ 3.65Å; E468-R471 VanDerWaalsContact OE2-CZ 3.25Å; E468-R471 IonicContact OE2-NE 3.73Å; E468-R471 PolarHBondContact OE2-NE 2.89Å; E468-R471 IonicContact OE2-NH2 2.76Å; E468-R471 PolarHBondContact OE2-NH2 3.2Å; E468-I472 WeakPolarHBondContact O-CD1 3.33Å; E468-I472 VanDerWaalsContact O-CG1 3.31Å; E468-I472 WeakPolarHBondContact O-CG1 3.35Å; E468-I472 PolarHBondContact O-N 2.83Å
469	A	97.6	Very high	96.8	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-44.1	174.7	0	0	0	0	0	112	Q267 L271 E465 L466 H467 F473	Q267-A469 VanDerWaalsContact NE2-CB 3.31Å; L271-A469 HydrophobicContact CD2-CB 3.39Å; E465-A469 WeakPolarHBondContact O-CB 3.38Å; E465-A469 PolarHBondContact O-N 2.83Å; L466-A469 PolarHBondContact O-N 2.82Å; H467-A469 VanDerWaalsContact C-N 3.35Å; H467-A469 PolarHBondContact O-N 3.18Å; A469-F473 WeakPolarHBondContact O-CD2 2.92Å; A469-F473 PolarHBondContact O-N 2.84Å
470	W	98	Very high	96.9	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-72.7	-33.3	175.3	-76.4	118.1	0	0	0	113.6	F179 G180 K181 T183 S186 R263 Q267 L466 H467 E468 I472 F473 S474 L477	F179-W470 PolarHBondContact O-NE1 3.1Å; G180-W470 VanDerWaalsContact O-CZ2 3.32Å; G180-W470 WeakPolarHBondContact O-CZ2 3.47Å; K181-W470 VanDerWaalsContact C-CZ3 3.43Å; K181-W470 VanDerWaalsContact O-CZ3 3.25Å; K181-W470 WeakPolarHBondContact O-CZ3 3.44Å; T183-W470 VanDerWaalsContact OG1-C 3.3Å; T183-W470 PolarHBondContact OG1-O 3.43Å; S186-W470 PolarHBondContact OG-NE1 3.22Å; S186-W470 VanDerWaalsContact OG-NE1 3.17Å; R263-W470 HydrophobicContact CB-CH2 4.46Å; R263-W470 HydrophobicContact CG-CH2 4.06Å; R263-W470 HydrophobicContact CG-CZ3 4.23Å; Q267-W470 HydrophobicContact CG-CD2 4.26Å; Q267-W470 HydrophobicContact CG-CE3 4.03Å; Q267-W470 HydrophobicContact CG-CH2 4.29Å; Q267-W470 HydrophobicContact CG-CZ3 4.04Å; L466-W470 VanDerWaalsContact O-CD1 3.23Å; L466-W470 PolarHBondContact O-N 2.91Å; H467-W470 PolarHBondContact O-N 2.9Å; E468-W470 VanDerWaalsContact C-N 3.3Å; E468-W470 PolarHBondContact O-N 3.11Å; W470-I472 VanDerWaalsContact C-N 3.25Å; W470-I472 PolarHBondContact O-N 3.33Å; W470-F473 PolarHBondContact O-N 3.12Å; W470-S474 WeakPolarHBondContact O-CB 3.48Å; W470-S474 PolarHBondContact O-N 3.45Å; W470-S474 PolarHBondContact O-OG 2.71Å; W470-L477 HydrophobicContact CE3-CD1 4.43Å; W470-L477 HydrophobicContact CZ3-CD1 3.79Å
471	R	97.8	Very high	96.8	Very high	68 Å²	68	34.1 Å²	34.1	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-57.7	-40.8	173.8	-176.3	-171.9	60.5	68.8	5.2	111.3	L298 I301 H467 E468 P475	L298-R471 PolarHBondContact O-NH2 3.06Å; I301-R471 PolarHBondContact O-NH1 3.41Å; I301-R471 PolarHBondContact O-NH2 3.14Å; H467-R471 PolarHBondContact O-N 3.37Å; E468-R471 WeakPolarHBondContact O-CB 3.34Å; E468-R471 PolarHBondContact O-N 3.17Å; E468-R471 VanDerWaalsContact O-N 3.13Å; E468-R471 IonicContact OE2-CZ 3.65Å; E468-R471 VanDerWaalsContact OE2-CZ 3.25Å; E468-R471 IonicContact OE2-NE 3.73Å; E468-R471 PolarHBondContact OE2-NE 2.89Å; E468-R471 IonicContact OE2-NH2 2.76Å; E468-R471 PolarHBondContact OE2-NH2 3.2Å; R471-P475 VanDerWaalsContact O-CD 3.26Å; R471-P475 WeakPolarHBondContact O-CD 3.42Å
472	I	98.3	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-42.3	-178.8	-67.7	161.6	0	0	0	111.7	L271 L298 I301 A303 V304 E468 W470	L271-I472 HydrophobicContact CD1-CD1 4.41Å; L271-I472 HydrophobicContact CD2-CD1 4.38Å; L298-I472 HydrophobicContact CB-CD1 4.38Å; L298-I472 HydrophobicContact CD2-CD1 3.83Å; I301-I472 HydrophobicContact CB-CD1 3.78Å; I301-I472 HydrophobicContact CB-CG1 4.13Å; I301-I472 HydrophobicContact CD1-CD1 4.22Å; I301-I472 HydrophobicContact CG2-CD1 3.9Å; I301-I472 HydrophobicContact CG2-CG1 3.99Å; I301-I472 HydrophobicContact CG2-CG2 3.99Å; A303-I472 WeakPolarHBondContact CA-O 3.3Å; V304-I472 HydrophobicContact CG2-CG2 3.78Å; V304-I472 PolarHBondContact N-O 2.95Å; V304-I472 VanDerWaalsContact N-O 3.08Å; E468-I472 WeakPolarHBondContact O-CD1 3.33Å; E468-I472 VanDerWaalsContact O-CG1 3.31Å; E468-I472 WeakPolarHBondContact O-CG1 3.35Å; E468-I472 PolarHBondContact O-N 2.83Å; W470-I472 VanDerWaalsContact C-N 3.25Å; W470-I472 PolarHBondContact O-N 3.33Å
473	F	98.2	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-102.2	-25	-170.9	-73.4	-74.2	0	0	0	115.8	I262 M266 Q267 L271 V304 L363 A469 W470 L476 L477	I262-F473 HydrophobicContact CG2-CD1 3.8Å; I262-F473 HydrophobicContact CG2-CE1 4.35Å; I262-F473 HydrophobicContact CG2-CG 4.3Å; M266-F473 HydrophobicContact CG-CE1 3.89Å; M266-F473 HydrophobicContact CG-CZ 3.75Å; M266-F473 HydrophobicContact SD-CE1 3.61Å; M266-F473 HydrophobicContact SD-CZ 4.04Å; Q267-F473 HydrophobicContact CB-CD2 3.92Å; Q267-F473 HydrophobicContact CB-CE2 4.38Å; Q267-F473 HydrophobicContact CB-CG 4.33Å; Q267-F473 HydrophobicContact CG-CB 4.38Å; Q267-F473 HydrophobicContact CG-CD2 3.87Å; Q267-F473 HydrophobicContact CG-CG 4.4Å; L271-F473 HydrophobicContact CD1-CE2 4.19Å; L271-F473 HydrophobicContact CD2-CE2 4.08Å; V304-F473 HydrophobicContact CG2-CD1 4.4Å; V304-F473 HydrophobicContact CG2-CE1 4.06Å; L363-F473 HydrophobicContact CD1-CZ 3.95Å; A469-F473 WeakPolarHBondContact O-CD2 2.92Å; A469-F473 PolarHBondContact O-N 2.84Å; W470-F473 PolarHBondContact O-N 3.12Å; F473-L476 HydrophobicContact CD1-CD2 4.32Å; F473-L476 WeakPolarHBondContact O-CB 3.43Å; F473-L476 PolarHBondContact O-N 2.68Å; F473-L476 VanDerWaalsContact O-N 3.15Å; F473-L477 HydrophobicContact CB-CD1 4.34Å; F473-L477 WeakPolarHBondContact O-CG 2.92Å; F473-L477 PolarHBondContact O-N 3.43Å
474	S	97.6	Very high	96.5	Very high	16 Å²	16	44.6 Å²	44.6	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-40.2	-174.7	-61.8	0	0	0	0	113.9	T183 W470 L476 L477 K478	T183-S474 PolarHBondContact N-OG 3.04Å; T183-S474 WeakPolarHBondContact OG1-CB 3.49Å; T183-S474 PolarHBondContact OG1-OG 2.71Å; W470-S474 WeakPolarHBondContact O-CB 3.48Å; W470-S474 PolarHBondContact O-N 3.45Å; W470-S474 PolarHBondContact O-OG 2.71Å; S474-L476 VanDerWaalsContact C-N 3.33Å; S474-L476 PolarHBondContact O-N 3.27Å; S474-L477 PolarHBondContact O-N 3.36Å; S474-K478 WeakPolarHBondContact O-CB 3.32Å; S474-K478 PolarHBondContact O-N 3.49Å
475	P	97.8	Very high	96.4	Very high	65 Å²	65	43.7 Å²	43.7	42%	0.422	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-40.4	174.9	-25.7	37	0	0	0	112.9	A303 R471 K479	A303-P475 HydrophobicContact CB-CB 4.19Å; A303-P475 HydrophobicContact CB-CG 3.86Å; R471-P475 VanDerWaalsContact O-CD 3.26Å; R471-P475 WeakPolarHBondContact O-CD 3.42Å; P475-K479 WeakPolarHBondContact O-CB 3.37Å; P475-K479 PolarHBondContact O-N 3.05Å
476	L	97.7	Very high	96.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-50.9	175.4	174.8	66.3	0	0	0	110.9	I262 V304 L306 V309 F473 S474 K478 K479 I480	I262-L476 HydrophobicContact CD1-CD2 4.08Å; V304-L476 HydrophobicContact CB-CD2 4.16Å; V304-L476 HydrophobicContact CG1-CD2 3.94Å; L306-L476 HydrophobicContact CB-CD1 4.26Å; L306-L476 HydrophobicContact CD1-CD1 4.01Å; V309-L476 HydrophobicContact CB-CD1 4.45Å; V309-L476 HydrophobicContact CG1-CD2 4.49Å; V309-L476 HydrophobicContact CG2-CD1 3.99Å; V309-L476 HydrophobicContact CG2-CD2 3.82Å; F473-L476 HydrophobicContact CD1-CD2 4.32Å; F473-L476 WeakPolarHBondContact O-CB 3.43Å; F473-L476 PolarHBondContact O-N 2.68Å; F473-L476 VanDerWaalsContact O-N 3.15Å; S474-L476 VanDerWaalsContact C-N 3.33Å; S474-L476 PolarHBondContact O-N 3.27Å; L476-K478 VanDerWaalsContact C-N 3.32Å; L476-K478 PolarHBondContact O-N 3.32Å; L476-K479 PolarHBondContact O-N 2.83Å; L476-K479 VanDerWaalsContact O-N 3.1Å; L476-I480 HydrophobicContact CD1-CD1 4Å; L476-I480 HydrophobicContact CD1-CG1 4.23Å; L476-I480 HydrophobicContact CD2-CD1 4.42Å; L476-I480 HydrophobicContact CG-CD1 3.8Å; L476-I480 HydrophobicContact CG-CG1 4.42Å; L476-I480 VanDerWaalsContact O-CG1 3.29Å; L476-I480 WeakPolarHBondContact O-CG1 3.39Å; L476-I480 PolarHBondContact O-N 3.36Å
477	L	97.2	Very high	96.5	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-46	-179.3	-70.9	168.1	0	0	0	111.4	I262 R263 W470 F473 S474 K479 I480 E481	I262-L477 HydrophobicContact CB-CD2 3.94Å; I262-L477 HydrophobicContact CD1-CD2 4.21Å; I262-L477 HydrophobicContact CG2-CD2 3.82Å; I262-L477 HydrophobicContact CG2-CG 4.34Å; R263-L477 HydrophobicContact CG-CD1 3.91Å; R263-L477 HydrophobicContact CG-CD2 4.17Å; W470-L477 HydrophobicContact CE3-CD1 4.43Å; W470-L477 HydrophobicContact CZ3-CD1 3.79Å; F473-L477 HydrophobicContact CB-CD1 4.34Å; F473-L477 WeakPolarHBondContact O-CG 2.92Å; F473-L477 PolarHBondContact O-N 3.43Å; S474-L477 PolarHBondContact O-N 3.36Å; L477-K479 PolarHBondContact O-N 3.33Å; L477-I480 WeakPolarHBondContact O-CB 3.4Å; L477-I480 PolarHBondContact O-N 3.15Å; L477-E481 WeakPolarHBondContact O-CG 3.3Å; L477-E481 PolarHBondContact O-N 3.25Å
478	K	96.4	Very high	96.6	Very high	132 Å²	132	46.6 Å²	46.6	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-60.3	-45.1	175	-177.3	172.9	-177.4	178.1	0	111.7	S474 L476 I480 E481 D482	S474-K478 WeakPolarHBondContact O-CB 3.32Å; S474-K478 PolarHBondContact O-N 3.49Å; L476-K478 VanDerWaalsContact C-N 3.32Å; L476-K478 PolarHBondContact O-N 3.32Å; K478-I480 VanDerWaalsContact C-N 3.32Å; K478-I480 PolarHBondContact O-N 2.82Å; K478-E481 PolarHBondContact O-N 3.11Å; K478-D482 WeakPolarHBondContact CE-OD2 3.44Å; K478-D482 WeakPolarHBondContact CG-OD2 3.38Å; K478-D482 WeakPolarHBondContact O-CB 3.35Å; K478-D482 VanDerWaalsContact O-CG 3.27Å; K478-D482 PolarHBondContact O-N 3.22Å
479	K	96.6	Very high	96.6	Very high	87 Å²	87	50 Å²	50	38%	0.378	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-36.3	178.5	-170	171.9	179.2	179	0	112.4	L306 P475 L476 L477 S483	L306-K479 HydrophobicContact CB-CD 4.01Å; L306-K479 HydrophobicContact CD2-CD 4.24Å; L306-K479 HydrophobicContact CD2-CG 4.26Å; P475-K479 WeakPolarHBondContact O-CB 3.37Å; P475-K479 PolarHBondContact O-N 3.05Å; L476-K479 PolarHBondContact O-N 2.83Å; L476-K479 VanDerWaalsContact O-N 3.1Å; L477-K479 PolarHBondContact O-N 3.33Å; K479-S483 WeakPolarHBondContact O-CB 3.49Å; K479-S483 PolarHBondContact O-N 2.86Å; K479-S483 PolarHBondContact O-OG 3.43Å
480	I	96	Very high	96.6	Very high	18 Å²	18	50.2 Å²	50.2	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-47.4	174.9	-69.2	167.8	0	0	0	110.5	I262 L306 L311 L476 L477 K478 Q484 V485	I262-I480 HydrophobicContact CD1-CD1 3.73Å; L306-I480 HydrophobicContact CD1-CG1 4.16Å; L311-I480 HydrophobicContact CD1-CD1 3.69Å; L311-I480 HydrophobicContact CD1-CG1 3.83Å; L311-I480 HydrophobicContact CD1-CG2 4.04Å; L311-I480 HydrophobicContact CD2-CD1 4.17Å; L476-I480 HydrophobicContact CD1-CD1 4Å; L476-I480 HydrophobicContact CD1-CG1 4.23Å; L476-I480 HydrophobicContact CD2-CD1 4.42Å; L476-I480 HydrophobicContact CG-CD1 3.8Å; L476-I480 HydrophobicContact CG-CG1 4.42Å; L476-I480 VanDerWaalsContact O-CG1 3.29Å; L476-I480 WeakPolarHBondContact O-CG1 3.39Å; L476-I480 PolarHBondContact O-N 3.36Å; L477-I480 WeakPolarHBondContact O-CB 3.4Å; L477-I480 PolarHBondContact O-N 3.15Å; K478-I480 VanDerWaalsContact C-N 3.32Å; K478-I480 PolarHBondContact O-N 2.82Å; I480-Q484 WeakPolarHBondContact O-CA 3.39Å; I480-Q484 PolarHBondContact O-N 2.94Å; I480-V485 HydrophobicContact CG2-CB 4.47Å; I480-V485 PolarHBondContact O-N 3.24Å; I480-V485 VanDerWaalsContact O-N 3.12Å
481	E	93.7	Very high	96.6	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-49.6	179.5	-71.2	168.4	-167	0	0	111.5	R263 L477 K478 S483 Q484	R263-E481 IonicContact CZ-OE1 3.58Å; R263-E481 IonicContact NH1-OE1 3.59Å; R263-E481 PolarHBondContact NH1-OE1 2.74Å; R263-E481 VanDerWaalsContact NH1-OE1 3.07Å; R263-E481 IonicContact NH2-OE1 2.73Å; R263-E481 PolarHBondContact NH2-OE1 2.75Å; L477-E481 WeakPolarHBondContact O-CG 3.3Å; L477-E481 PolarHBondContact O-N 3.25Å; K478-E481 PolarHBondContact O-N 3.11Å; E481-S483 PolarHBondContact O-N 3.12Å; E481-Q484 PolarHBondContact O-NE2 3.47Å; E481-Q484 PolarHBondContact O-N 3.16Å
482	D	95.2	Very high	96.6	Very high	115 Å²	115	51.7 Å²	51.7	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-65.5	-41.9	-178	-71.4	-14.8	0	0	0	112.1	K478 Q484	K478-D482 WeakPolarHBondContact CE-OD2 3.44Å; K478-D482 WeakPolarHBondContact CG-OD2 3.38Å; K478-D482 WeakPolarHBondContact O-CB 3.35Å; K478-D482 VanDerWaalsContact O-CG 3.27Å; K478-D482 PolarHBondContact O-N 3.22Å; D482-Q484 PolarHBondContact O-N 2.92Å; D482-Q484 VanDerWaalsContact C-N 3.28Å
483	S	94	Very high	96.5	Very high	71 Å²	71	53.4 Å²	53.4	50%	0.497	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.9	-179.6	-45.8	0	0	0	0	112.8	K479 E481 V485	K479-S483 WeakPolarHBondContact O-CB 3.49Å; K479-S483 PolarHBondContact O-N 2.86Å; K479-S483 PolarHBondContact O-OG 3.43Å; E481-S483 PolarHBondContact O-N 3.12Å; S483-V485 VanDerWaalsContact C-N 3.3Å; S483-V485 PolarHBondContact O-N 2.91Å
484	Q	91.5	Very high	96.5	Very high	106 Å²	106	55.1 Å²	55.1	50%	0.495	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	52.1	-173.9	-64.5	-75.5	-62.8	0	0	111	R340 I480 E481 D482 Q486	R340-Q484 WeakPolarHBondContact CD-O 3.31Å; R340-Q484 VanDerWaalsContact NH1-CB 3.29Å; R340-Q484 PolarHBondContact NH1-O 3.43Å; I480-Q484 WeakPolarHBondContact O-CA 3.39Å; I480-Q484 PolarHBondContact O-N 2.94Å; E481-Q484 PolarHBondContact O-NE2 3.47Å; E481-Q484 PolarHBondContact O-N 3.16Å; D482-Q484 PolarHBondContact O-N 2.92Å; D482-Q484 VanDerWaalsContact C-N 3.28Å; Q484-Q486 PolarHBondContact O-N 2.97Å
485	V	94.3	Very high	96.4	Very high	35 Å²	35	59.6 Å²	59.6	21%	0.212	32%	0.316	C	S	.	.			trans	-58.1	128.4	-174.3	-179.9	0	0	0	0	110	L306 L311 I480 S483 P487	L306-V485 HydrophobicContact CD1-CG2 4.13Å; L306-V485 HydrophobicContact CD2-CG2 3.82Å; L311-V485 HydrophobicContact CD1-CB 4.26Å; L311-V485 HydrophobicContact CD1-CG1 3.97Å; I480-V485 HydrophobicContact CG2-CB 4.47Å; I480-V485 PolarHBondContact O-N 3.24Å; I480-V485 VanDerWaalsContact O-N 3.12Å; S483-V485 VanDerWaalsContact C-N 3.3Å; S483-V485 PolarHBondContact O-N 2.91Å; V485-P487 VanDerWaalsContact O-CD 3.28Å; V485-P487 WeakPolarHBondContact O-CD 3.38Å
486	Q	96.4	Very high	96.4	Very high	100 Å²	100	57.2 Å²	57.2	47%	0.467	30%	0.303	S	S	.	.			trans	-83.2	115.5	178.3	-179.3	57.3	52.1	0	0	109.2	Q484	Q484-Q486 PolarHBondContact O-N 2.97Å
487	P	97.9	Very high	96.4	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.019	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.3	144.5	178	26.4	-35.4	0	0	0	111.8	L311 Q313 V485	L311-P487 HydrophobicContact CB-CB 4.16Å; Q313-P487 HydrophobicContact CB-CB 3.89Å; Q313-P487 HydrophobicContact CB-CG 3.6Å; V485-P487 VanDerWaalsContact O-CD 3.28Å; V485-P487 WeakPolarHBondContact O-CD 3.38Å
488	C	98.1	Very high	96.4	Very high	31 Å²	31	63.1 Å²	63.1	21%	0.209	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.5	175.2	-64.6	0	0	0	0	110.6	L311 G312 Q313 P497 E499	L311-C488 PolarHBondContact O-N 2.88Å; G312-C488 CarbonylContact C-O 3.54Å; G312-C488 WeakPolarHBondContact CA-O 3.44Å; Q313-C488 PolarHBondContact N-O 3.37Å; C488-P497 HydrophobicContact CB-CB 3.9Å; C488-P497 HydrophobicContact CB-CG 4.07Å; C488-E499 PolarHBondContact SG-OE1 2.99Å
489	P	98	Very high	96.4	Very high	93 Å²	93	60.6 Å²	60.6	60%	0.604	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.6	175.8	29.6	-33.4	0	0	0	110.3	Q313 I315	Q313-P489 WeakPolarHBondContact O-CA 3.31Å; I315-P489 HydrophobicContact CD1-CB 4.39Å; I315-P489 HydrophobicContact CG2-CB 4.13Å
490	Y	98.3	Very high	96.5	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	168.6	67.6	-85.9	0	0	0	110.8	Q313 Y314 I315 T343 Y344 K367 L369 P497	Q313-Y490 PolarHBondContact O-N 2.84Å; Y314-Y490 CarbonylContact C-O 3.59Å; Y314-Y490 VanDerWaalsContact CA-O 3.23Å; Y314-Y490 WeakPolarHBondContact CA-O 3.4Å; I315-Y490 WeakPolarHBondContact CG1-O 3.26Å; I315-Y490 PolarHBondContact N-O 2.75Å; T343-Y490 PolarHBondContact O-OH 2.96Å; T343-Y490 PolarHBondContact OG1-OH 3.06Å; Y344-Y490 VanDerWaalsContact CB-CE1 3.41Å; Y344-Y490 HydrophobicContact CG-CE1 4.31Å; K367-Y490 WeakPolarHBondContact O-CE2 3.43Å; K367-Y490 PolarHBondContact O-OH 3.29Å; L369-Y490 HydrophobicContact CD2-CD2 4.13Å; L369-Y490 HydrophobicContact CD2-CE2 3.62Å; Y490-P497 HydrophobicContact CD1-CG 4.02Å; Y490-P497 HydrophobicContact CG-CG 4.43Å
491	M	97.9	Very high	96.5	Very high	97 Å²	97	58.3 Å²	58.3	48%	0.478	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.9	-176.7	-169.8	172.7	-63.8	0	0	110.9	N317 G493 S494	N317-M491 HydrophobicContact CB-CG 3.81Å; N317-M491 HydrophobicContact CB-SD 4.25Å; M491-G493 PolarHBondContact O-N 3.17Å; M491-S494 WeakPolarHBondContact O-CB 3.42Å; M491-S494 PolarHBondContact O-N 3.13Å; M491-S494 PolarHBondContact O-OG 2.96Å
492	F	97.8	Very high	96.7	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127.6	170.9	-161.3	-59.3	0	0	0	109.5	R246 Y314 I315 N317 E325 A368 S494	R246-F492 VanDerWaalsContact O-CE1 3.26Å; R246-F492 WeakPolarHBondContact O-CE1 3.17Å; R246-F492 VanDerWaalsContact O-CZ 3.31Å; R246-F492 WeakPolarHBondContact O-CZ 3.34Å; Y314-F492 AromaticContact CD2-CD2 3.81Å; Y314-F492 HydrophobicContact CD2-CD2 3.81Å; Y314-F492 HydrophobicContact CD2-CE2 4.45Å; Y314-F492 AromaticContact CE2-CD2 3.99Å; Y314-F492 HydrophobicContact CE2-CD2 3.99Å; Y314-F492 HydrophobicContact CE2-CE2 4.26Å; I315-F492 PolarHBondContact O-N 3.21Å; N317-F492 HydrophobicContact CB-CB 4.16Å; E325-F492 HydrophobicContact CB-CD1 3.82Å; E325-F492 HydrophobicContact CB-CE1 4.09Å; E325-F492 HydrophobicContact CB-CG 4.16Å; E325-F492 HydrophobicContact CG-CD1 3.8Å; E325-F492 HydrophobicContact CG-CE1 3.58Å; E325-F492 HydrophobicContact CG-CZ 4.1Å; E325-F492 WeakPolarHBondContact O-CB 3.13Å; A368-F492 HydrophobicContact CB-CD1 4.02Å; A368-F492 HydrophobicContact CB-CD2 3.44Å; A368-F492 VanDerWaalsContact CB-CD2 3.44Å; A368-F492 HydrophobicContact CB-CE1 3.96Å; A368-F492 HydrophobicContact CB-CE2 3.41Å; A368-F492 VanDerWaalsContact CB-CE2 3.41Å; A368-F492 HydrophobicContact CB-CG 3.73Å; A368-F492 HydrophobicContact CB-CZ 3.67Å; F492-S494 VanDerWaalsContact C-N 3.33Å
493	G	96.7	Very high	96.7	Very high	35 Å²	35	54.2 Å²	54.2	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	0.7	-178.7	0	0	0	0	0	114.4	A368 N370 M491	A368-G493 PolarHBondContact O-N 3.15Å; N370-G493 WeakPolarHBondContact CA-O 3.47Å; N370-G493 WeakPolarHBondContact CB-O 3.42Å; N370-G493 PolarHBondContact N-O 3.06Å; M491-G493 PolarHBondContact O-N 3.17Å
494	S	97.1	Very high	96.9	Very high	37 Å²	37	51.1 Å²	51.1	26%	0.259	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-78	-178.4	170.8	72.4	0	0	0	0	112.2	L369 N370 M491 F492 G496	L369-S494 CarbonylContact C-O 3.59Å; L369-S494 VanDerWaalsContact CA-O 3.32Å; L369-S494 WeakPolarHBondContact CA-O 3.47Å; N370-S494 PolarHBondContact N-O 2.89Å; M491-S494 WeakPolarHBondContact O-CB 3.42Å; M491-S494 PolarHBondContact O-N 3.13Å; M491-S494 PolarHBondContact O-OG 2.96Å; F492-S494 VanDerWaalsContact C-N 3.33Å; S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact OG-N 3.15Å
495	R	96.8	Very high	97.2	Very high	109 Å²	109	52.9 Å²	52.9	41%	0.411	28%	0.277	S	S	.	.			trans	-81.7	-2.2	174.4	-68.1	-178.7	65	-160.1	-3.4	113.2	R364	R364-R495 PolarHBondContact NH2-O 3.14Å
496	G	97.2	Very high	97.3	Very high	15 Å²	15	58.7 Å²	58.7	16%	0.155	30%	0.3	C	S	.	.	S	Bend	trans	104.5	-173.1	-169.9	0	0	0	0	0	112.2	S494	S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact OG-N 3.15Å
497	P	97.8	Very high	97.2	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.019	29%	0.287	C	S	.	.			trans	-62.7	142.2	-180	-19.8	32.1	0	0	0	112.7	V310 Y344 C488 Y490 E499 S500	V310-P497 HydrophobicContact CG1-CB 4.04Å; V310-P497 HydrophobicContact CG1-CG 4.3Å; Y344-P497 VanDerWaalsContact CD1-CD 3.49Å; Y344-P497 HydrophobicContact CD1-CG 3.95Å; Y344-P497 HydrophobicContact CE1-CG 4.23Å; Y344-P497 HydrophobicContact CG-CG 4.49Å; C488-P497 HydrophobicContact CB-CB 3.9Å; C488-P497 HydrophobicContact CB-CG 4.07Å; Y490-P497 HydrophobicContact CD1-CG 4.02Å; Y490-P497 HydrophobicContact CG-CG 4.43Å; P497-E499 PolarHBondContact O-N 3.12Å; P497-E499 WeakPolarHBondContact CB-OE2 3.47Å; P497-E499 VanDerWaalsContact C-N 3.27Å; P497-E499 VanDerWaalsContact CB-OE2 3.26Å; P497-S500 VanDerWaalsContact O-CB 3.32Å; P497-S500 WeakPolarHBondContact O-CB 3.47Å; P497-S500 PolarHBondContact O-N 3.08Å; P497-S500 PolarHBondContact O-OG 3.31Å
498	Q	96.6	Very high	97.1	Very high	132 Å²	132	57.4 Å²	57.4	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-33.7	179.6	-179.8	-177.8	-35.3	0	0	111.6	S500 D501 E502	Q498-S500 PolarHBondContact O-N 3.38Å; Q498-D501 PolarHBondContact O-N 2.71Å; Q498-E502 PolarHBondContact NE2-OE1 2.95Å; Q498-E502 PolarHBondContact O-N 3.17Å
499	E	97.4	Very high	97	Very high	78 Å²	78	57.2 Å²	57.2	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-55.7	-26	177.9	-59.7	91	148.6	0	0	111.6	V310 C488 P497 E502 I503	V310-E499 HydrophobicContact CG1-CB 3.94Å; V310-E499 HydrophobicContact CG2-CB 4.14Å; C488-E499 PolarHBondContact SG-OE1 2.99Å; P497-E499 PolarHBondContact O-N 3.12Å; P497-E499 WeakPolarHBondContact CB-OE2 3.47Å; P497-E499 VanDerWaalsContact C-N 3.27Å; P497-E499 VanDerWaalsContact CB-OE2 3.26Å; E499-E502 PolarHBondContact O-N 3.36Å; E499-I503 PolarHBondContact O-N 3.05Å
500	S	97.6	Very high	97	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-45.4	173.4	-64.2	0	0	0	0	112.4	Y344 L346 P497 Q498 E502 I503 M504	Y344-S500 WeakPolarHBondContact CE1-OG 3.4Å; Y344-S500 WeakPolarHBondContact OH-CB 3.34Å; Y344-S500 PolarHBondContact OH-OG 3.43Å; L346-S500 VanDerWaalsContact CD2-O 3.23Å; L346-S500 WeakPolarHBondContact CD2-O 3.19Å; P497-S500 VanDerWaalsContact O-CB 3.32Å; P497-S500 WeakPolarHBondContact O-CB 3.47Å; P497-S500 PolarHBondContact O-N 3.08Å; P497-S500 PolarHBondContact O-OG 3.31Å; Q498-S500 PolarHBondContact O-N 3.38Å; S500-E502 PolarHBondContact O-N 3.1Å; S500-I503 PolarHBondContact O-N 3.15Å; S500-M504 VanDerWaalsContact O-CG 3.28Å; S500-M504 WeakPolarHBondContact O-CG 3.49Å; S500-M504 PolarHBondContact O-N 3.48Å
501	D	96.9	Very high	96.8	Very high	57 Å²	57	62.6 Å²	62.6	31%	0.305	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-32.5	179.8	-64.4	-23.7	0	0	0	109.8	R364 Q498 Q505	R364-D501 IonicContact CZ-OD1 2.8Å; R364-D501 IonicContact NH1-OD1 3.57Å; R364-D501 PolarHBondContact NH1-OD1 2.93Å; R364-D501 IonicContact NH2-OD1 2.82Å; Q498-D501 PolarHBondContact O-N 2.71Å; D501-Q505 WeakPolarHBondContact O-CB 3.46Å; D501-Q505 PolarHBondContact O-N 3Å
502	E	96.9	Very high	96.5	Very high	97 Å²	97	60.5 Å²	60.5	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-47.3	174.2	-64.8	171.7	-172.5	0	0	112.8	Q498 E499 S500 M504 Q505 K506	Q498-E502 PolarHBondContact NE2-OE1 2.95Å; Q498-E502 PolarHBondContact O-N 3.17Å; E499-E502 PolarHBondContact O-N 3.36Å; S500-E502 PolarHBondContact O-N 3.1Å; E502-M504 VanDerWaalsContact C-N 3.35Å; E502-M504 PolarHBondContact O-N 3.35Å; E502-Q505 PolarHBondContact O-N 2.91Å; E502-K506 PolarHBondContact O-N 3.27Å; E502-K506 WeakPolarHBondContact O-CB 3.22Å; E502-K506 VanDerWaalsContact O-CB 3.3Å
503	I	96.1	Very high	96.3	Very high	26 Å²	26	61.6 Å²	61.6	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-42.9	175.2	-75.1	-162	0	0	0	111.1	V310 L346 E499 S500 Q505 K506 H507	V310-I503 HydrophobicContact CG2-CB 4.39Å; V310-I503 HydrophobicContact CG2-CD1 3.51Å; V310-I503 HydrophobicContact CG2-CG1 3.95Å; L346-I503 HydrophobicContact CD2-CB 4.08Å; L346-I503 HydrophobicContact CD2-CG2 3.97Å; E499-I503 PolarHBondContact O-N 3.05Å; S500-I503 PolarHBondContact O-N 3.15Å; I503-Q505 VanDerWaalsContact C-N 3.35Å; I503-Q505 PolarHBondContact O-N 3.31Å; I503-K506 PolarHBondContact O-N 3.08Å; I503-H507 PolarHBondContact O-N 3.48Å; I503-H507 VanDerWaalsContact O-N 3.08Å
504	M	97.9	Very high	96.1	Very high	5 Å²	5	63 Å²	63	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-45.7	177.5	-71.8	-177.7	73.8	0	0	111.2	T240 L346 F362 S500 E502 H507 G508 F509	T240-M504 HydrophobicContact CG2-CE 3.81Å; T240-M504 WeakPolarHBondContact OG1-CE 3.4Å; L346-M504 HydrophobicContact CD1-CG 4.02Å; L346-M504 HydrophobicContact CD1-SD 3.99Å; L346-M504 HydrophobicContact CD2-CG 3.75Å; L346-M504 HydrophobicContact CD2-SD 4.48Å; F362-M504 HydrophobicContact CB-CE 4.22Å; F362-M504 HydrophobicContact CD1-CG 3.86Å; F362-M504 HydrophobicContact CD2-CE 4.03Å; F362-M504 HydrophobicContact CD2-CG 4.47Å; F362-M504 HydrophobicContact CE1-CB 4.35Å; F362-M504 HydrophobicContact CE1-CG 4.1Å; F362-M504 HydrophobicContact CG-CE 4.12Å; F362-M504 HydrophobicContact CG-CG 4.06Å; F362-M504 HydrophobicContact CZ-CB 4.38Å; F362-M504 HydrophobicContact CZ-CG 4.5Å; S500-M504 VanDerWaalsContact O-CG 3.28Å; S500-M504 WeakPolarHBondContact O-CG 3.49Å; S500-M504 PolarHBondContact O-N 3.48Å; E502-M504 VanDerWaalsContact C-N 3.35Å; E502-M504 PolarHBondContact O-N 3.35Å; M504-H507 PolarHBondContact O-N 3.2Å; M504-G508 PolarHBondContact O-N 2.89Å; M504-F509 HydrophobicContact CE-CD2 4.23Å; M504-F509 PolarHBondContact O-N 3.33Å; M504-F509 WeakPolarHBondContact O-CB 3.39Å; M504-F509 HydrophobicContact CE-CZ 4.45Å; M504-F509 HydrophobicContact CE-CG 3.87Å; M504-F509 HydrophobicContact CE-CE1 4.09Å; M504-F509 HydrophobicContact CE-CD1 3.8Å; M504-F509 HydrophobicContact CE-CB 4.37Å; M504-F509 HydrophobicContact CB-CG 4.45Å; M504-F509 HydrophobicContact CB-CD1 4.19Å; M504-F509 HydrophobicContact CB-CB 4.06Å
505	Q	96.9	Very high	96	Very high	144 Å²	144	63.6 Å²	63.6	67%	0.673	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-43.2	178.3	-172.1	176.5	1.9	0	0	112.3	D501 E502 I503 H507 G508 F509	D501-Q505 WeakPolarHBondContact O-CB 3.46Å; D501-Q505 PolarHBondContact O-N 3Å; E502-Q505 PolarHBondContact O-N 2.91Å; I503-Q505 VanDerWaalsContact C-N 3.35Å; I503-Q505 PolarHBondContact O-N 3.31Å; Q505-H507 VanDerWaalsContact C-N 3.26Å; Q505-H507 PolarHBondContact O-N 2.91Å; Q505-G508 PolarHBondContact O-N 2.83Å; Q505-F509 WeakPolarHBondContact CA-O 3.33Å
506	K	96.2	Very high	95.8	Very high	156 Å²	156	67.6 Å²	67.6	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-54.7	-42.9	176	177.4	-171.9	172.8	-167.2	0	111.7	E502 I503 G508	E502-K506 PolarHBondContact O-N 3.27Å; E502-K506 WeakPolarHBondContact O-CB 3.22Å; E502-K506 VanDerWaalsContact O-CB 3.3Å; I503-K506 PolarHBondContact O-N 3.08Å; K506-G508 VanDerWaalsContact C-N 3.29Å; K506-G508 PolarHBondContact O-N 3.17Å
507	H	96.2	Very high	95.6	Very high	46 Å²	46	73 Å²	73	21%	0.213	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.2	-179.2	-71.7	-51.2	0	0	0	113.5	D308 W350 P360 F362 I503 M504 Q505	D308-H507 IonicContact OD1-CD2 3.52Å; D308-H507 IonicContact OD1-CE1 2.84Å; D308-H507 IonicContact OD1-NE2 3.03Å; D308-H507 PolarHBondContact OD1-NE2 3.34Å; W350-H507 AromaticContact CH2-CE1 3.69Å; W350-H507 AromaticContact CH2-NE2 3.65Å; W350-H507 AromaticContact CZ2-CE1 3.65Å; W350-H507 AromaticContact CZ2-ND1 3.78Å; W350-H507 AromaticContact CZ2-NE2 3.95Å; P360-H507 HydrophobicContact CB-CB 4.34Å; P360-H507 HydrophobicContact CG-CB 4.48Å; P360-H507 WeakPolarHBondContact CG-O 3.49Å; F362-H507 HydrophobicContact CE1-CB 3.86Å; F362-H507 HydrophobicContact CZ-CB 3.65Å; I503-H507 PolarHBondContact O-N 3.48Å; I503-H507 VanDerWaalsContact O-N 3.08Å; M504-H507 PolarHBondContact O-N 3.2Å; Q505-H507 VanDerWaalsContact C-N 3.26Å; Q505-H507 PolarHBondContact O-N 2.91Å
508	G	93.9	Very high	95	Very high	30 Å²	30	81.2 Å²	81.2	31%	0.309	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	8.2	165.2	0	0	0	0	0	116.4	R395 M504 Q505 K506	R395-G508 PolarHBondContact NH1-O 3.03Å; M504-G508 PolarHBondContact O-N 2.89Å; Q505-G508 PolarHBondContact O-N 2.83Å; K506-G508 VanDerWaalsContact C-N 3.29Å; K506-G508 PolarHBondContact O-N 3.17Å
509	F	97.3	Very high	94.4	Very high	28 Å²	28	79 Å²	79	12%	0.123	38%	0.382	C	S	.	.			trans	-72.4	128	165.9	177.7	-102	0	0	0	110.2	F362 M504 Q505 F511	F362-F509 HydrophobicContact CE2-CB 3.81Å; F362-F509 HydrophobicContact CZ-CB 4.35Å; M504-F509 HydrophobicContact CE-CD2 4.23Å; M504-F509 PolarHBondContact O-N 3.33Å; M504-F509 WeakPolarHBondContact O-CB 3.39Å; M504-F509 HydrophobicContact CE-CZ 4.45Å; M504-F509 HydrophobicContact CE-CG 3.87Å; M504-F509 HydrophobicContact CE-CE1 4.09Å; M504-F509 HydrophobicContact CE-CD1 3.8Å; M504-F509 HydrophobicContact CE-CB 4.37Å; M504-F509 HydrophobicContact CB-CG 4.45Å; M504-F509 HydrophobicContact CB-CD1 4.19Å; M504-F509 HydrophobicContact CB-CB 4.06Å; Q505-F509 WeakPolarHBondContact CA-O 3.33Å; F509-F511 HydrophobicContact CE1-CB 3.97Å
510	I	96.6	Very high	93.4	Very high	71 Å²	71	79.2 Å²	79.2	36%	0.364	39%	0.39	S	S	.	.			trans	-107.5	122.6	180	-60.7	-175.6	0	0	0	109.9	Q379 R395 T512	Q379-I510 PolarHBondContact NE2-O 2.96Å; R395-I510 VanDerWaalsContact CZ-CD1 3.43Å; I510-T512 HydrophobicContact CG2-CG2 4.08Å
511	F	96	Very high	92.1	Very high	141 Å²	141	84.4 Å²	84.4	62%	0.618	42%	0.422	S	S	*	.			trans	-111.3	117.2	169.6	-179.1	-105.9	0	0	0	110.3	F509	F509-F511 HydrophobicContact CE1-CB 3.97Å
512	T	91	Very high	90.3	Very high	54 Å²	54	91.7 Å²	91.7	33%	0.331	45%	0.451	S	S	.	.			trans	-95.6	-25.4	-176.7	55.9	0	0	0	0	113.5	K394 I510 T514	K394-T512 HydrophobicContact CD-CG2 3.74Å; K394-T512 HydrophobicContact CG-CG2 4.41Å; I510-T512 HydrophobicContact CG2-CG2 4.08Å; T512-T514 VanDerWaalsContact CB-OG1 3.3Å; T512-T514 WeakPolarHBondContact CB-OG1 3.38Å; T512-T514 PolarHBondContact O-N 3.27Å; T512-T514 VanDerWaalsContact O-N 3.08Å; T512-T514 PolarHBondContact OG1-OG1 3.11Å
513	G	92.7	Very high	87.6	Confident	29 Å²	29	99.4 Å²	99.4	30%	0.299	48%	0.483	S	S	.	.	S	Bend	trans	63.6	7.6	-173.7	0	0	0	0	0	115.2	R516	G513-R516 PolarHBondContact O-NH1 3.23Å
514	T	93.7	Very high	87.2	Confident	66 Å²	66	103.1 Å²	103.1	41%	0.405	50%	0.501	S	S	.	.			trans	-85	-27.9	-176.1	45.1	0	0	0	0	113.3	K394 E425 T512 R516	K394-T514 WeakPolarHBondContact CE-OG1 3.19Å; E425-T514 VanDerWaalsContact OE2-CB 3.28Å; E425-T514 WeakPolarHBondContact OE2-CB 3.5Å; E425-T514 PolarHBondContact OE2-OG1 3.3Å; T512-T514 VanDerWaalsContact CB-OG1 3.3Å; T512-T514 WeakPolarHBondContact CB-OG1 3.38Å; T512-T514 PolarHBondContact O-N 3.27Å; T512-T514 VanDerWaalsContact O-N 3.08Å; T512-T514 PolarHBondContact OG1-OG1 3.11Å; T514-R516 PolarHBondContact O-N 2.8Å
515	Y	95	Very high	86.6	Confident	49 Å²	49	108.2 Å²	108.2	19%	0.192	53%	0.526	C	S	.	.			trans	-59.3	132.9	177.1	-179.4	-122.5	0	0	0	111.8	K411 E425 E427 W517	K411-Y515 HydrophobicContact CD-CD1 4.19Å; K411-Y515 HydrophobicContact CD-CE1 4.17Å; K411-Y515 HydrophobicContact CD-CG 4.42Å; K411-Y515 HydrophobicContact CG-CE2 4.47Å; E425-Y515 HydrophobicContact CB-CD2 3.9Å; E425-Y515 PolarHBondContact OE2-N 3.23Å; E427-Y515 WeakPolarHBondContact OE2-CE2 3.33Å; E427-Y515 VanDerWaalsContact OE2-CZ 3.3Å; E427-Y515 PolarHBondContact OE2-OH 2.92Å; Y515-W517 HydrophobicContact CE1-CB 3.81Å
516	R	93.1	Very high	86.1	Confident	193 Å²	193	106.2 Å²	106.2	73%	0.728	52%	0.518	S	S	*	.			trans	-132	97.7	179.9	-68.5	-71.3	-177.7	-93.5	-1.7	108.9	G513 T514	G513-R516 PolarHBondContact O-NH1 3.23Å; T514-R516 PolarHBondContact O-N 2.8Å
517	W	92.4	Very high	85.5	Confident	128 Å²	128	103.3 Å²	103.3	49%	0.485	51%	0.508	S	S	.	.			trans	-87.1	138.2	171.2	-174.2	72.6	0	0	0	110.8	E427 Y515 P519	E427-W517 PolarHBondContact OE1-NE1 3.19Å; Y515-W517 HydrophobicContact CE1-CB 3.81Å; W517-P519 HydrophobicContact CE3-CG 4.4Å; W517-P519 HydrophobicContact CZ3-CG 3.69Å; W517-P519 HydrophobicContact CZ3-CB 4.23Å; W517-P519 HydrophobicContact CZ2-CB 4.4Å; W517-P519 HydrophobicContact CH2-CG 3.86Å; W517-P519 HydrophobicContact CH2-CB 3.88Å
518	K	85.6	Confident	84.8	Confident	175 Å²	175	106.9 Å²	106.9	76%	0.761	53%	0.527	S	S	*	.			trans	-124.3	133.9	167.7	-69.2	-177.7	-179.2	177.7	0	107.8
519	P	82.4	Confident	84.2	Confident	86 Å²	86	112 Å²	112	56%	0.558	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-55	140.7	172.8	-16.7	25.8	0	0	0	109.9	W517 T521	W517-P519 HydrophobicContact CE3-CG 4.4Å; W517-P519 HydrophobicContact CZ3-CG 3.69Å; W517-P519 HydrophobicContact CZ3-CB 4.23Å; W517-P519 HydrophobicContact CZ2-CB 4.4Å; W517-P519 HydrophobicContact CH2-CG 3.86Å; W517-P519 HydrophobicContact CH2-CB 3.88Å; P519-T521 PolarHBondContact O-N 2.91Å
520	P	77.5	Confident	83.3	Confident	83 Å²	83	118 Å²	118	54%	0.539	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-54.7	125.7	173.4	-20.3	29.7	0	0	0	109.5	K522	P520-K522 PolarHBondContact O-N 3.13Å; P520-K522 VanDerWaalsContact O-N 3.12Å
521	T	69.3	Low	82.2	Confident	108 Å²	108	121.6 Å²	121.6	66%	0.663	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-61.7	116.7	167.6	27.2	0	0	0	0	107.5	P519 F523	P519-T521 PolarHBondContact O-N 2.91Å; T521-F523 VanDerWaalsContact O-CD2 3.3Å; T521-F523 WeakPolarHBondContact O-CD2 3.4Å; T521-F523 PolarHBondContact O-N 3.31Å
522	K	60.8	Low	81.1	Confident	210 Å²	210	120 Å²	120	91%	0.913	58%	0.584	S	S	*	*			trans	-58.8	109.3	170.6	-74.7	-173.8	177.7	-179.3	0	107.5	P520	P520-K522 PolarHBondContact O-N 3.13Å; P520-K522 VanDerWaalsContact O-N 3.12Å
523	F	39.8	Very low	80.2	Confident	259 Å²	259	126 Å²	126	100%	1.136	61%	0.607	S	S	*	*			trans	-80.5	0	170	-78.4	-80.3	0	0	0	110.7	T521	T521-F523 VanDerWaalsContact O-CD2 3.3Å; T521-F523 WeakPolarHBondContact O-CD2 3.4Å; T521-F523 PolarHBondContact O-N 3.31Å

Retrieved 523 of 523 residues in 278.8 ms (Link to these results)

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