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Serine/threonine-protein kinase A-Raf

Involved in the transduction of mitogenic signals from the cell membrane to the nucleus. May also regulate the TOR signaling cascade. Phosphorylates PFKFB2¹. Serves as a positive regulator of myogenic differentiation by inducing cell cycle arrest, the expression of myogenin and other muscle-specific proteins, and myotube formation.

AlphaFold DB , UniProt , Accession P10398, Species HUMAN (Homo sapiens, Human), Gene ARAF, Length 606 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	43	Very low	48.8	Very low	252 Å²	252	144.7 Å²	144.7	100%	1.241	86%	0.856	S	S	*	*				0	98.6	0	-77.4	177	169.3	0	0	107.3
2	E	49.4	Very low	47.9	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	85%	0.854	S	S	*	*			trans	-119.2	136	168.1	-89.6	179.3	95.1	0	0	107.4
3	P	59.7	Low	47.5	Very low	118 Å²	118	144 Å²	144	77%	0.766	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-76.7	149.5	172.3	32.1	-32.8	0	0	0	110.9
4	P	47	Very low	47.2	Very low	129 Å²	129	141.3 Å²	141.3	84%	0.838	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-77.3	155.6	-169.5	31.3	-36.1	0	0	0	113.8	G6	P4-G6 PolarHBondContact O-N 3.43Å
5	R	49.7	Very low	46.9	Very low	250 Å²	250	139.9 Å²	139.9	94%	0.943	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.9	175.7	-65.2	179.8	-178.1	-179.5	0.5	111.3
6	G	63.2	Low	47.1	Very low	66 Å²	66	145.3 Å²	145.3	68%	0.68	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74.2	160.1	168	0	0	0	0	0	113.1	P4	P4-G6 PolarHBondContact O-N 3.43Å
7	P	50	Low	47.7	Very low	122 Å²	122	142.5 Å²	142.5	79%	0.792	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-75.8	161	-178.6	32.9	-36	0	0	0	112.5
8	P	45.4	Very low	48.9	Very low	124 Å²	124	140.6 Å²	140.6	81%	0.805	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-70.6	135.5	178.3	29.9	-34.5	0	0	0	111.6	N10	P8-N10 PolarHBondContact O-N 2.78Å
9	A	47.5	Very low	50.7	Low	101 Å²	101	133.8 Å²	133.8	84%	0.835	79%	0.793	S	S	*	*			trans	-77.5	108.6	175.9	0	0	0	0	0	111.1	G11	A9-G11 PolarHBondContact O-N 2.98Å
10	N	41.5	Very low	52.6	Low	169 Å²	169	130.1 Å²	130.1	90%	0.904	77%	0.771	S	S	*	*			trans	-73.6	89.6	165.2	-90	-11.8	0	0	0	109.8	P8	P8-N10 PolarHBondContact O-N 2.78Å
11	G	40.4	Very low	54.3	Low	70 Å²	70	123.9 Å²	123.9	72%	0.722	73%	0.734	S	S	*	*			trans	-89.5	106.6	164.7	0	0	0	0	0	110.4	A9 E13	A9-G11 PolarHBondContact O-N 2.98Å; G11-E13 PolarHBondContact O-N 2.83Å
12	A	38.5	Very low	56.5	Low	101 Å²	101	116.7 Å²	116.7	84%	0.835	70%	0.696	S	S	*	*			trans	-78.7	103.9	174.3	0	0	0	0	0	110.5
13	E	42.3	Very low	58.5	Low	179 Å²	179	107.7 Å²	107.7	84%	0.836	65%	0.654	S	S	*	*			trans	-62	131.3	166.7	-90.4	-88.6	109.4	0	0	110.1	G11 S15	G11-E13 PolarHBondContact O-N 2.83Å; E13-S15 PolarHBondContact O-N 3.38Å
14	P	43.8	Very low	59.9	Low	106 Å²	106	106.6 Å²	106.6	69%	0.688	64%	0.636	S	S	*	*			trans	-69.7	127.1	175	28.9	-32.7	0	0	0	109.9	R16	P14-R16 PolarHBondContact O-N 2.91Å
15	S	41.3	Very low	61.6	Low	121 Å²	121	100.8 Å²	100.8	85%	0.846	60%	0.598	S	S	*	*			trans	-63.3	96.4	179.5	55.5	0	0	0	0	111.4	E13 A17	E13-S15 PolarHBondContact O-N 3.38Å; S15-A17 PolarHBondContact O-N 2.82Å; S15-A17 VanDerWaalsContact O-N 3.12Å
16	R	51	Low	62.7	Low	226 Å²	226	90 Å²	90	85%	0.853	56%	0.559	S	S	*	*			trans	-58.8	113.3	169.9	-106.2	174.7	143.7	179	-12.3	109.4	P14 V18	P14-R16 PolarHBondContact O-N 2.91Å; R16-V18 PolarHBondContact O-N 2.84Å
17	A	57.4	Low	63	Low	98 Å²	98	93.4 Å²	93.4	81%	0.81	56%	0.562	S	S	*	*			trans	-59.4	130	173.4	0	0	0	0	0	109.7	S15 G19	S15-A17 PolarHBondContact O-N 2.82Å; S15-A17 VanDerWaalsContact O-N 3.12Å; A17-G19 PolarHBondContact O-N 2.84Å
18	V	69.8	Low	64.1	Low	107 Å²	107	98 Å²	98	65%	0.648	57%	0.57	S	S	*	*			trans	-78.6	111.1	178.3	179.3	0	0	0	0	108.2	R16 T34	R16-V18 PolarHBondContact O-N 2.84Å; V18-T34 HydrophobicContact CG1-CG2 4.09Å
19	G	81.5	Confident	65.7	Low	12 Å²	12	96 Å²	96	12%	0.124	55%	0.55	C	S	.	.			trans	-57.5	150.5	175.6	0	0	0	0	0	112.8	A17 V35 D82	A17-G19 PolarHBondContact O-N 2.84Å; G19-V35 PolarHBondContact O-N 3.21Å; G19-D82 VanDerWaalsContact C-OD1 3.24Å; G19-D82 WeakPolarHBondContact CA-OD1 3.4Å; G19-D82 WeakPolarHBondContact CA-OD2 3.38Å
20	T	88.8	Confident	67.4	Low	59 Å²	59	101 Å²	101	36%	0.362	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.2	179.4	59.5	0	0	0	0	112.4	V32 V33 D82 G83	T20-V32 HydrophobicContact CG2-CG1 4.01Å; T20-V33 WeakPolarHBondContact CA-O 3.42Å; T20-D82 PolarHBondContact N-OD1 2.95Å; T20-G83 PolarHBondContact O-N 3.39Å; T20-G83 VanDerWaalsContact O-N 3.1Å
21	V	89.5	Confident	69.6	Low	0 Å²	0	94.7 Å²	94.7	0%	0	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	172.4	-170.1	0	0	0	0	108.5	V23 V32 V33 V35 I78 L81 E84 L86	V21-V23 HydrophobicContact CG1-CG2 4.36Å; V21-V32 WeakPolarHBondContact O-CA 3.28Å; V21-V33 PolarHBondContact N-O 3.35Å; V21-V33 PolarHBondContact O-N 3.05Å; V21-V35 HydrophobicContact CG2-CG2 3.6Å; V21-I78 HydrophobicContact CB-CD1 4.41Å; V21-I78 HydrophobicContact CG2-CD1 3.8Å; V21-I78 HydrophobicContact CG2-CG1 3.68Å; V21-L81 HydrophobicContact CG2-CB 4.12Å; V21-L81 WeakPolarHBondContact CG2-O 3.34Å; V21-E84 WeakPolarHBondContact CG1-O 3.3Å; V21-L86 HydrophobicContact CG1-CD1 3.86Å; V21-L86 HydrophobicContact CG1-CG 3.73Å
22	K	89.7	Confident	71.9	Confident	101 Å²	101	95.7 Å²	95.7	44%	0.439	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.7	170.8	-59.6	-176.8	-148.2	150.2	0	109	E84 E85 L86	K22-E84 PolarHBondContact N-O 2.91Å; K22-E85 HydrophobicContact CB-CG 4.25Å; K22-E85 HydrophobicContact CD-CG 4.39Å; K22-E85 WeakPolarHBondContact CD-OE1 3.41Å; K22-E85 IonicContact NZ-OE1 2.72Å; K22-E85 PolarHBondContact NZ-OE1 3.47Å; K22-E85 WeakPolarHBondContact O-CA 3.35Å; K22-L86 PolarHBondContact O-N 3.49Å
23	V	90.6	Very high	74.2	Confident	2 Å²	2	91.7 Å²	91.7	1%	0.012	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.5	-177.4	-172.3	0	0	0	0	109.3	V21 L25 R30 T31 V33 L45 L86 V88	V21-V23 HydrophobicContact CG1-CG2 4.36Å; V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.26Å; V23-R30 CarbonylContact O-C 3.57Å; V23-R30 WeakPolarHBondContact O-CA 3.34Å; V23-T31 HydrophobicContact CB-CG2 3.8Å; V23-T31 HydrophobicContact CG1-CG2 4.41Å; V23-T31 HydrophobicContact CG2-CG2 4.4Å; V23-T31 PolarHBondContact N-O 3.44Å; V23-T31 PolarHBondContact O-N 3.4Å; V23-V33 HydrophobicContact CG2-CG2 3.87Å; V23-L45 HydrophobicContact CB-CD2 4.23Å; V23-L45 HydrophobicContact CG1-CD2 3.69Å; V23-L45 HydrophobicContact CG2-CD2 3.81Å; V23-L86 CarbonylContact C-O 3.5Å; V23-L86 WeakPolarHBondContact CA-O 3.2Å; V23-L86 HydrophobicContact CG1-CB 4.36Å; V23-L86 HydrophobicContact CG2-CB 4.36Å; V23-V88 HydrophobicContact CG1-CG2 3.76Å
24	Y	89	Confident	76.4	Confident	96 Å²	96	86.1 Å²	86.1	38%	0.376	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.5	167.8	-62.3	-90.6	0	0	0	108.1	E85 L86 I87 V88	Y24-E85 HydrophobicContact CE2-CB 4.14Å; Y24-E85 HydrophobicContact CE2-CG 4.44Å; Y24-L86 PolarHBondContact N-O 3.11Å; Y24-I87 HydrophobicContact CD2-CG1 4.22Å; Y24-V88 PolarHBondContact O-N 2.88Å
25	L	83.2	Confident	78.4	Confident	7 Å²	7	82.1 Å²	82.1	4%	0.037	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	161.4	-177.2	-67.4	173.4	0	0	0	109.8	V23 Q29 T31 A48 L49 R52 V88	V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.26Å; L25-Q29 HydrophobicContact CB-CB 4.16Å; L25-Q29 PolarHBondContact N-O 2.96Å; L25-Q29 PolarHBondContact O-N 3.05Å; L25-T31 HydrophobicContact CD1-CG2 3.71Å; L25-T31 HydrophobicContact CG-CG2 4.27Å; L25-A48 HydrophobicContact CD1-CB 4.42Å; L25-L49 HydrophobicContact CD2-CD2 4.06Å; L25-R52 VanDerWaalsContact CD1-CZ 3.41Å; L25-V88 HydrophobicContact CD2-CB 4.01Å; L25-V88 HydrophobicContact CD2-CG2 3.83Å
26	P	73.1	Confident	80.4	Confident	22 Å²	22	83.4 Å²	83.4	14%	0.143	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	157.9	177.5	-28.5	38.2	0	0	0	113.2	L54 V88 V90	P26-L54 HydrophobicContact CB-CD1 4.22Å; P26-L54 HydrophobicContact CG-CD1 3.71Å; P26-V88 VanDerWaalsContact CD-O 3.24Å; P26-V88 WeakPolarHBondContact CD-O 3.5Å; P26-V88 WeakPolarHBondContact CG-O 3.45Å; P26-V90 HydrophobicContact CB-CG2 3.84Å; P26-V90 HydrophobicContact CG-CG2 3.56Å
27	N	69.4	Low	81.9	Confident	139 Å²	139	78.9 Å²	78.9	74%	0.743	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	38.7	-174.1	-60.5	-23.9	0	0	0	114.4	Q29	N27-Q29 PolarHBondContact O-N 2.81Å
28	K	72.5	Confident	83.2	Confident	218 Å²	218	78 Å²	78	95%	0.948	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	26.6	177.6	-55.8	-178.4	-179.9	179.5	0	114
29	Q	78.2	Confident	84.1	Confident	81 Å²	81	76 Å²	76	38%	0.379	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	163.1	178.8	-59.3	-167.2	13.7	0	0	110.9	L25 N27	L25-Q29 HydrophobicContact CB-CB 4.16Å; L25-Q29 PolarHBondContact N-O 2.96Å; L25-Q29 PolarHBondContact O-N 3.05Å; N27-Q29 PolarHBondContact O-N 2.81Å
30	R	83.9	Confident	84.5	Confident	206 Å²	206	76.2 Å²	76.2	78%	0.777	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.6	173.4	64.7	-177.2	-178.7	-173.6	0.2	110.8	V23	V23-R30 CarbonylContact O-C 3.57Å; V23-R30 WeakPolarHBondContact O-CA 3.34Å
31	T	88	Confident	84.5	Confident	38 Å²	38	73.4 Å²	73.4	23%	0.233	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.6	166.4	-166	0	0	0	0	108.9	V23 L25 V33 A48	V23-T31 HydrophobicContact CB-CG2 3.8Å; V23-T31 HydrophobicContact CG1-CG2 4.41Å; V23-T31 HydrophobicContact CG2-CG2 4.4Å; V23-T31 PolarHBondContact N-O 3.44Å; V23-T31 PolarHBondContact O-N 3.4Å; L25-T31 HydrophobicContact CD1-CG2 3.71Å; L25-T31 HydrophobicContact CG-CG2 4.27Å; T31-V33 HydrophobicContact CG2-CG2 4.06Å; T31-A48 HydrophobicContact CG2-CB 4.11Å
32	V	87.8	Confident	84.5	Confident	90 Å²	90	77.8 Å²	77.8	55%	0.545	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	168.2	-179.1	0	0	0	0	106.9	T20 V21	T20-V32 HydrophobicContact CG2-CG1 4.01Å; V21-V32 WeakPolarHBondContact O-CA 3.28Å
33	V	88.3	Confident	84.4	Confident	18 Å²	18	77 Å²	77	11%	0.109	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132	-179.9	-169.6	0	0	0	0	109.2	T20 V21 V23 T31 L45 I78	T20-V33 WeakPolarHBondContact CA-O 3.42Å; V21-V33 PolarHBondContact N-O 3.35Å; V21-V33 PolarHBondContact O-N 3.05Å; V23-V33 HydrophobicContact CG2-CG2 3.87Å; T31-V33 HydrophobicContact CG2-CG2 4.06Å; V33-L45 HydrophobicContact CG2-CD2 4.18Å; V33-I78 HydrophobicContact CG1-CD1 4.33Å
34	T	87.3	Confident	84.4	Confident	61 Å²	61	77.5 Å²	77.5	37%	0.374	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.1	177	55.6	0	0	0	0	110.2	V18	V18-T34 HydrophobicContact CG1-CG2 4.09Å
35	V	85.8	Confident	84.4	Confident	23 Å²	23	72.9 Å²	72.9	14%	0.139	37%	0.374	C	S	.	.			trans	-66.7	134.4	172.8	178.7	0	0	0	0	109.2	G19 V21 I78 A79 D82	G19-V35 PolarHBondContact O-N 3.21Å; V21-V35 HydrophobicContact CG2-CG2 3.6Å; V35-I78 HydrophobicContact CG1-CG2 4.44Å; V35-I78 HydrophobicContact CG2-CG1 4.44Å; V35-A79 HydrophobicContact CG1-CB 4.38Å; V35-D82 HydrophobicContact CG2-CB 3.99Å
36	R	84.8	Confident	84.4	Confident	148 Å²	148	74 Å²	74	56%	0.558	38%	0.38	S	S	*	.			trans	-141.1	134.5	172.7	-62.7	-175.9	-177	-173.8	-0.1	109	G38 M39	R36-G38 PolarHBondContact O-N 3.11Å; R36-M39 HydrophobicContact CB-CG 4.18Å; R36-M39 HydrophobicContact CB-SD 3.93Å; R36-M39 HydrophobicContact CG-SD 4.25Å; R36-M39 PolarHBondContact O-N 2.95Å
37	D	81.8	Confident	84.9	Confident	130 Å²	130	80.4 Å²	80.4	70%	0.695	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	136.2	173.9	-65.3	-37.3	0	0	0	110.3	M39	D37-M39 PolarHBondContact O-N 2.67Å
38	G	84.4	Confident	85.6	Confident	81 Å²	81	74.4 Å²	74.4	84%	0.835	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-4.4	-178.8	0	0	0	0	0	116.5	R36	R36-G38 PolarHBondContact O-N 3.11Å
39	M	88.4	Confident	86.1	Confident	63 Å²	63	64 Å²	64	31%	0.31	33%	0.33	S	S	.	.			trans	-86.4	140.8	170.5	-74.4	-173.5	171.9	0	0	111.9	R36 D37 D43 I78	R36-M39 HydrophobicContact CB-CG 4.18Å; R36-M39 HydrophobicContact CB-SD 3.93Å; R36-M39 HydrophobicContact CG-SD 4.25Å; R36-M39 PolarHBondContact O-N 2.95Å; D37-M39 PolarHBondContact O-N 2.67Å; M39-D43 HydrophobicContact CB-CB 4.38Å; M39-D43 HydrophobicContact CG-CB 4.4Å; M39-I78 HydrophobicContact CB-CG2 3.87Å; M39-I78 WeakPolarHBondContact O-CG2 3.28Å; M39-I78 PolarHBondContact O-N 2.96Å
40	S	90.5	Very high	85.9	Confident	18 Å²	18	66.1 Å²	66.1	13%	0.126	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-87.5	167.3	168.2	65.8	0	0	0	0	112	Y42 D43 S44 T76	S40-Y42 PolarHBondContact O-N 2.91Å; S40-Y42 WeakPolarHBondContact OG-CB 3.47Å; S40-Y42 PolarHBondContact OG-N 2.82Å; S40-D43 WeakPolarHBondContact CB-OD2 3.03Å; S40-D43 PolarHBondContact N-OD2 3.19Å; S40-D43 PolarHBondContact O-N 2.9Å; S40-D43 PolarHBondContact OG-N 2.87Å; S40-D43 VanDerWaalsContact OG-N 3.17Å; S40-D43 PolarHBondContact OG-OD2 3.35Å; S40-S44 WeakPolarHBondContact O-CB 3.06Å; S40-S44 PolarHBondContact O-N 3.29Å; S40-T76 CarbonylContact C-O 3.57Å; S40-T76 WeakPolarHBondContact CA-O 3.43Å
41	V	89.3	Confident	85.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-54.8	-40.8	168.7	172.1	0	0	0	0	110.3	S44 L45 V61 T72 W74 T76 L81	V41-S44 PolarHBondContact O-N 2.81Å; V41-S44 PolarHBondContact O-OG 3.35Å; V41-L45 HydrophobicContact CG1-CD1 3.63Å; V41-L45 HydrophobicContact CG1-CG 4.2Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.84Å; V41-V61 HydrophobicContact CG1-CB 4.45Å; V41-V61 HydrophobicContact CG1-CG1 4.14Å; V41-V61 HydrophobicContact CG1-CG2 4.07Å; V41-T72 HydrophobicContact CG2-CG2 4.28Å; V41-W74 HydrophobicContact CG1-CE3 4.11Å; V41-W74 HydrophobicContact CG1-CZ3 4.4Å; V41-W74 PolarHBondContact N-O 2.77Å; V41-T76 PolarHBondContact N-O 2.85Å; V41-L81 HydrophobicContact CG2-CD1 3.52Å
42	Y	88.1	Confident	84.4	Confident	92 Å²	92	63 Å²	63	36%	0.361	33%	0.333	S	S	.	.	H	α-helix	trans	-53.4	-56.8	174	-178.6	-83.4	0	0	0	112	S40 S44 L45 D46 Q56 W74	S40-Y42 PolarHBondContact O-N 2.91Å; S40-Y42 WeakPolarHBondContact OG-CB 3.47Å; S40-Y42 PolarHBondContact OG-N 2.82Å; Y42-S44 VanDerWaalsContact C-N 3.26Å; Y42-S44 PolarHBondContact O-N 2.87Å; Y42-L45 PolarHBondContact O-N 3.21Å; Y42-D46 VanDerWaalsContact O-CB 3.28Å; Y42-D46 WeakPolarHBondContact O-CB 3.47Å; Y42-D46 PolarHBondContact O-N 2.82Å; Y42-Q56 HydrophobicContact CD2-CB 4.2Å; Y42-Q56 HydrophobicContact CD2-CG 3.59Å; Y42-Q56 HydrophobicContact CE2-CB 4.1Å; Y42-Q56 HydrophobicContact CE2-CG 3.62Å; Y42-W74 WeakPolarHBondContact CB-O 3.27Å; Y42-W74 PolarHBondContact N-O 3.46Å
43	D	89	Confident	83.3	Confident	83 Å²	83	59.5 Å²	59.5	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-38	-177.4	-54.8	-54.8	0	0	0	111.9	M39 S40	M39-D43 HydrophobicContact CB-CB 4.38Å; M39-D43 HydrophobicContact CG-CB 4.4Å; S40-D43 WeakPolarHBondContact CB-OD2 3.03Å; S40-D43 PolarHBondContact N-OD2 3.19Å; S40-D43 PolarHBondContact O-N 2.9Å; S40-D43 PolarHBondContact OG-N 2.87Å; S40-D43 VanDerWaalsContact OG-N 3.17Å; S40-D43 PolarHBondContact OG-OD2 3.35Å
44	S	88.8	Confident	82.5	Confident	13 Å²	13	59.4 Å²	59.4	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-35.8	-176.8	84.3	0	0	0	0	112.7	S40 V41 Y42 I78	S40-S44 WeakPolarHBondContact O-CB 3.06Å; S40-S44 PolarHBondContact O-N 3.29Å; V41-S44 PolarHBondContact O-N 2.81Å; V41-S44 PolarHBondContact O-OG 3.35Å; Y42-S44 VanDerWaalsContact C-N 3.26Å; Y42-S44 PolarHBondContact O-N 2.87Å; S44-I78 VanDerWaalsContact CB-CD1 3.43Å; S44-I78 WeakPolarHBondContact OG-CD1 3.4Å
45	L	89.3	Confident	81.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-97	-22.6	-175.9	-64.9	-174.9	0	0	0	113.8	V23 V33 V41 Y42 K47 A48 L49 V61 W74 V88	V23-L45 HydrophobicContact CB-CD2 4.23Å; V23-L45 HydrophobicContact CG1-CD2 3.69Å; V23-L45 HydrophobicContact CG2-CD2 3.81Å; V33-L45 HydrophobicContact CG2-CD2 4.18Å; V41-L45 HydrophobicContact CG1-CD1 3.63Å; V41-L45 HydrophobicContact CG1-CG 4.2Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.84Å; Y42-L45 PolarHBondContact O-N 3.21Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.83Å; L45-A48 WeakPolarHBondContact O-CA 3Å; L45-A48 WeakPolarHBondContact O-CB 3.46Å; L45-A48 PolarHBondContact O-N 2.98Å; L45-L49 HydrophobicContact CB-CD1 3.87Å; L45-L49 HydrophobicContact CB-CG 4.28Å; L45-L49 WeakPolarHBondContact O-CG 3.36Å; L45-L49 PolarHBondContact O-N 2.85Å; L45-V61 HydrophobicContact CD1-CG1 4.4Å; L45-V61 HydrophobicContact CD1-CG2 3.92Å; L45-W74 HydrophobicContact CB-CZ3 4.13Å; L45-W74 HydrophobicContact CD1-CH2 4.37Å; L45-W74 HydrophobicContact CD1-CZ3 3.81Å; L45-V88 HydrophobicContact CD1-CG2 3.85Å
46	D	84.5	Confident	81.3	Confident	31 Å²	31	58.7 Å²	58.7	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-47.2	-49.8	-175.3	-179.8	71.3	0	0	0	113	Y42 L49 K50 Q56	Y42-D46 VanDerWaalsContact O-CB 3.28Å; Y42-D46 WeakPolarHBondContact O-CB 3.47Å; Y42-D46 PolarHBondContact O-N 2.82Å; D46-L49 PolarHBondContact O-N 3.43Å; D46-K50 VanDerWaalsContact O-CB 3.25Å; D46-K50 WeakPolarHBondContact O-CB 3.45Å; D46-K50 VanDerWaalsContact O-CG 3.27Å; D46-K50 WeakPolarHBondContact O-CG 3.42Å; D46-K50 PolarHBondContact O-N 3.06Å; D46-K50 WeakPolarHBondContact OD1-CE 3.43Å; D46-K50 IonicContact OD1-NZ 3.56Å; D46-K50 PolarHBondContact OD1-NZ 3.02Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.39Å; D46-K50 IonicContact OD2-NZ 3.52Å; D46-K50 PolarHBondContact OD2-NZ 3.37Å; D46-Q56 PolarHBondContact OD1-NE2 3.03Å
47	K	83.3	Confident	80.5	Confident	156 Å²	156	56.8 Å²	56.8	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-65.4	-40.7	177.7	-169.6	178	-179.7	-176.7	0	112.2	L45 V51	L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.83Å; K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CG2 3.28Å; K47-V51 PolarHBondContact O-N 3.49Å
48	A	83.3	Confident	80.1	Confident	13 Å²	13	51 Å²	51	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-34.2	-178.2	0	0	0	0	0	112.7	L25 T31 L45 R52	L25-A48 HydrophobicContact CD1-CB 4.42Å; T31-A48 HydrophobicContact CG2-CB 4.11Å; L45-A48 WeakPolarHBondContact O-CA 3Å; L45-A48 WeakPolarHBondContact O-CB 3.46Å; L45-A48 PolarHBondContact O-N 2.98Å; A48-R52 WeakPolarHBondContact O-CD 3.38Å; A48-R52 PolarHBondContact O-NH1 2.86Å
49	L	82.3	Confident	79.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-76.1	-47.5	175.7	-64	169.4	0	0	0	111.1	L25 L45 D46 V51 R52 G53 L54 Q56 W74 V88	L25-L49 HydrophobicContact CD2-CD2 4.06Å; L45-L49 HydrophobicContact CB-CD1 3.87Å; L45-L49 HydrophobicContact CB-CG 4.28Å; L45-L49 WeakPolarHBondContact O-CG 3.36Å; L45-L49 PolarHBondContact O-N 2.85Å; D46-L49 PolarHBondContact O-N 3.43Å; L49-V51 VanDerWaalsContact C-N 3.31Å; L49-V51 PolarHBondContact O-N 3.5Å; L49-R52 CarbonylContact O-C 3.47Å; L49-R52 WeakPolarHBondContact O-CA 3.47Å; L49-R52 WeakPolarHBondContact O-CB 3.37Å; L49-R52 PolarHBondContact O-N 3.05Å; L49-G53 PolarHBondContact O-N 2.98Å; L49-L54 CarbonylContact C-O 3.6Å; L49-L54 VanDerWaalsContact C-O 3.25Å; L49-L54 HydrophobicContact CB-CB 4.2Å; L49-L54 WeakPolarHBondContact CB-O 3.45Å; L49-L54 HydrophobicContact CD2-CB 4.08Å; L49-L54 HydrophobicContact CD2-CD1 4.09Å; L49-L54 PolarHBondContact O-N 2.79Å; L49-Q56 HydrophobicContact CD1-CG 4.12Å; L49-W74 HydrophobicContact CD1-CH2 3.53Å; L49-W74 HydrophobicContact CD1-CZ3 3.82Å; L49-V88 HydrophobicContact CD2-CG1 4.11Å
50	K	74.6	Confident	79.8	Confident	125 Å²	125	45.1 Å²	45.1	54%	0.543	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-37.6	176.7	-77.9	173.5	176.9	160	0	113.3	D46 R52 G53	D46-K50 VanDerWaalsContact O-CB 3.25Å; D46-K50 WeakPolarHBondContact O-CB 3.45Å; D46-K50 VanDerWaalsContact O-CG 3.27Å; D46-K50 WeakPolarHBondContact O-CG 3.42Å; D46-K50 PolarHBondContact O-N 3.06Å; D46-K50 WeakPolarHBondContact OD1-CE 3.43Å; D46-K50 IonicContact OD1-NZ 3.56Å; D46-K50 PolarHBondContact OD1-NZ 3.02Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.39Å; D46-K50 IonicContact OD2-NZ 3.52Å; D46-K50 PolarHBondContact OD2-NZ 3.37Å; K50-R52 PolarHBondContact O-N 2.99Å; K50-G53 WeakPolarHBondContact O-CA 3.48Å; K50-G53 PolarHBondContact O-N 2.89Å
51	V	73.5	Confident	79.8	Confident	108 Å²	108	44.3 Å²	44.3	66%	0.655	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.3	173.6	165.6	0	0	0	0	112.4	K47 L49	K47-V51 WeakPolarHBondContact O-CB 3.32Å; K47-V51 WeakPolarHBondContact O-CG2 3.28Å; K47-V51 PolarHBondContact O-N 3.49Å; L49-V51 VanDerWaalsContact C-N 3.31Å; L49-V51 PolarHBondContact O-N 3.5Å
52	R	67.7	Low	79.8	Confident	69 Å²	69	47 Å²	47	26%	0.26	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.1	175	-66.8	163.3	176.5	82.6	5.7	112.4	L25 A48 L49 K50 L54 T142	L25-R52 VanDerWaalsContact CD1-CZ 3.41Å; A48-R52 WeakPolarHBondContact O-CD 3.38Å; A48-R52 PolarHBondContact O-NH1 2.86Å; L49-R52 CarbonylContact O-C 3.47Å; L49-R52 WeakPolarHBondContact O-CA 3.47Å; L49-R52 WeakPolarHBondContact O-CB 3.37Å; L49-R52 PolarHBondContact O-N 3.05Å; K50-R52 PolarHBondContact O-N 2.99Å; R52-L54 HydrophobicContact CB-CD1 4.47Å; R52-L54 HydrophobicContact CB-CG 4.42Å; R52-L54 PolarHBondContact O-N 2.96Å; R52-T142 PolarHBondContact O-OG1 2.77Å
53	G	63.3	Low	79.8	Confident	18 Å²	18	45 Å²	45	19%	0.186	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	27.7	-172	0	0	0	0	0	115	L49 K50 T142	L49-G53 PolarHBondContact O-N 2.98Å; K50-G53 WeakPolarHBondContact O-CA 3.48Å; K50-G53 PolarHBondContact O-N 2.89Å; G53-T142 WeakPolarHBondContact CA-OG1 3.31Å; G53-T142 PolarHBondContact O-OG1 3.02Å
54	L	72	Confident	79.5	Confident	16 Å²	16	43.7 Å²	43.7	8%	0.084	22%	0.219	C	C	.	.			trans	-81.9	145.3	161	-62.8	171.7	0	0	0	108.6	P26 L49 R52 V90 V143	P26-L54 HydrophobicContact CB-CD1 4.22Å; P26-L54 HydrophobicContact CG-CD1 3.71Å; L49-L54 CarbonylContact C-O 3.6Å; L49-L54 VanDerWaalsContact C-O 3.25Å; L49-L54 HydrophobicContact CB-CB 4.2Å; L49-L54 WeakPolarHBondContact CB-O 3.45Å; L49-L54 HydrophobicContact CD2-CB 4.08Å; L49-L54 HydrophobicContact CD2-CD1 4.09Å; L49-L54 PolarHBondContact O-N 2.79Å; R52-L54 HydrophobicContact CB-CD1 4.47Å; R52-L54 HydrophobicContact CB-CG 4.42Å; R52-L54 PolarHBondContact O-N 2.96Å; L54-V90 HydrophobicContact CD1-CG2 4.49Å; L54-V90 HydrophobicContact CD2-CG2 3.88Å; L54-V143 HydrophobicContact CD2-CG2 4.45Å
55	N	71.7	Confident	79.1	Confident	53 Å²	53	46.7 Å²	46.7	28%	0.283	23%	0.233	S	C	.	.			trans	-107.8	163	164.8	66.2	-15.9	0	0	0	110.3	D57 C58 C59	N55-D57 WeakPolarHBondContact ND2-CB 3.43Å; N55-D57 PolarHBondContact ND2-OD2 2.85Å; N55-D57 PolarHBondContact O-N 2.77Å; N55-C58 PolarHBondContact O-N 2.81Å; N55-C58 PolarHBondContact O-SG 3.45Å; N55-C58 WeakPolarHBondContact OD1-CB 3.44Å; N55-C58 PolarHBondContact OD1-N 3.46Å; N55-C58 PolarHBondContact OD1-SG 3.16Å; N55-C59 PolarHBondContact O-SG 2.93Å; N55-C59 VanDerWaalsContact O-SG 3.37Å
56	Q	76	Confident	78.5	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.075	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.9	176.7	-62.1	87.6	-20.4	0	0	111.8	Y42 D46 L49 C58 C59 W74	Y42-Q56 HydrophobicContact CD2-CB 4.2Å; Y42-Q56 HydrophobicContact CD2-CG 3.59Å; Y42-Q56 HydrophobicContact CE2-CB 4.1Å; Y42-Q56 HydrophobicContact CE2-CG 3.62Å; D46-Q56 PolarHBondContact OD1-NE2 3.03Å; L49-Q56 HydrophobicContact CD1-CG 4.12Å; Q56-C58 VanDerWaalsContact C-N 3.35Å; Q56-C58 PolarHBondContact O-N 3.48Å; Q56-C59 PolarHBondContact O-N 2.89Å; Q56-W74 HydrophobicContact CB-CD2 4.05Å; Q56-W74 HydrophobicContact CB-CE3 4.28Å; Q56-W74 HydrophobicContact CB-CH2 4.06Å; Q56-W74 HydrophobicContact CB-CZ2 3.8Å; Q56-W74 HydrophobicContact CB-CZ3 4.27Å; Q56-W74 HydrophobicContact CG-CD2 4.15Å; Q56-W74 HydrophobicContact CG-CE3 3.86Å; Q56-W74 HydrophobicContact CG-CH2 3.84Å; Q56-W74 HydrophobicContact CG-CZ2 4.11Å; Q56-W74 HydrophobicContact CG-CZ3 3.68Å; Q56-W74 PolarHBondContact O-NE1 3.2Å
57	D	68.3	Low	78	Confident	107 Å²	107	58.3 Å²	58.3	57%	0.572	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.8	-28.8	180	-46.1	-62.7	0	0	0	113.8	N55	N55-D57 WeakPolarHBondContact ND2-CB 3.43Å; N55-D57 PolarHBondContact ND2-OD2 2.85Å; N55-D57 PolarHBondContact O-N 2.77Å
58	C	73.2	Confident	77.9	Confident	9 Å²	9	60.4 Å²	60.4	6%	0.061	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-94.1	-0.9	177.3	72.7	0	0	0	0	113.5	N55 Q56 V90 L91 V94	N55-C58 PolarHBondContact O-N 2.81Å; N55-C58 PolarHBondContact O-SG 3.45Å; N55-C58 WeakPolarHBondContact OD1-CB 3.44Å; N55-C58 PolarHBondContact OD1-N 3.46Å; N55-C58 PolarHBondContact OD1-SG 3.16Å; Q56-C58 VanDerWaalsContact C-N 3.35Å; Q56-C58 PolarHBondContact O-N 3.48Å; C58-V90 WeakPolarHBondContact O-CA 3.19Å; C58-V90 WeakPolarHBondContact O-CG1 3.4Å; C58-L91 PolarHBondContact O-N 2.95Å; C58-V94 HydrophobicContact CB-CG1 4.44Å; C58-V94 HydrophobicContact CB-CG2 4.05Å
59	C	81.7	Confident	77.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.8	-173.2	-68	0	0	0	0	111.6	N55 Q56 W74 V88 E89	N55-C59 PolarHBondContact O-SG 2.93Å; N55-C59 VanDerWaalsContact O-SG 3.37Å; Q56-C59 PolarHBondContact O-N 2.89Å; C59-W74 HydrophobicContact CB-CH2 4.15Å; C59-W74 HydrophobicContact CB-CZ2 3.78Å; C59-W74 WeakPolarHBondContact O-CZ2 3.47Å; C59-V88 HydrophobicContact CB-CG1 3.69Å; C59-E89 CarbonylContact C-O 3.51Å; C59-E89 VanDerWaalsContact CA-O 3.31Å; C59-E89 WeakPolarHBondContact CA-O 3.33Å
60	V	85.7	Confident	78	Confident	20 Å²	20	67.2 Å²	67.2	12%	0.121	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.1	166.5	54.7	0	0	0	0	108.9	Y62 V71 V88 E89 L91	V60-Y62 HydrophobicContact CB-CE2 4.36Å; V60-Y62 HydrophobicContact CG1-CD2 4.31Å; V60-Y62 HydrophobicContact CG1-CE2 3.46Å; V60-Y62 VanDerWaalsContact CG1-CE2 3.46Å; V60-Y62 HydrophobicContact CG2-CE1 4.22Å; V60-Y62 HydrophobicContact CG2-CE2 4.04Å; V60-V71 HydrophobicContact CG2-CG1 4.19Å; V60-V71 HydrophobicContact CG2-CG2 4.42Å; V60-V88 WeakPolarHBondContact O-CA 3.41Å; V60-E89 HydrophobicContact CG1-CB 4.23Å; V60-E89 PolarHBondContact N-O 3Å; V60-E89 PolarHBondContact O-N 3.5Å; V60-L91 HydrophobicContact CB-CD2 4.1Å; V60-L91 HydrophobicContact CG1-CD2 3.96Å
61	V	89.4	Confident	78.6	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.4	174.9	-170	0	0	0	0	108.8	V41 L45 T72 W74 L86 V88	V41-V61 HydrophobicContact CG1-CB 4.45Å; V41-V61 HydrophobicContact CG1-CG1 4.14Å; V41-V61 HydrophobicContact CG1-CG2 4.07Å; L45-V61 HydrophobicContact CD1-CG1 4.4Å; L45-V61 HydrophobicContact CD1-CG2 3.92Å; V61-T72 PolarHBondContact O-N 3.22Å; V61-W74 HydrophobicContact CG2-CD2 4.1Å; V61-W74 HydrophobicContact CG2-CE3 3.89Å; V61-W74 HydrophobicContact CG2-CH2 3.37Å; V61-W74 HydrophobicContact CG2-CZ2 3.6Å; V61-W74 HydrophobicContact CG2-CZ3 3.54Å; V61-L86 HydrophobicContact CG1-CB 4.19Å; V61-L86 HydrophobicContact CG1-CD1 4.16Å; V61-L86 HydrophobicContact CG1-CD2 4.28Å; V61-L86 HydrophobicContact CG1-CG 4.45Å; V61-V88 HydrophobicContact CG2-CG2 4.28Å
62	Y	89.6	Confident	79.2	Confident	56 Å²	56	61.1 Å²	61.1	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.9	169.3	-59.6	-81.1	0	0	0	109.9	V60 K69 T70 V71 L86 I87 E89	V60-Y62 HydrophobicContact CB-CE2 4.36Å; V60-Y62 HydrophobicContact CG1-CD2 4.31Å; V60-Y62 HydrophobicContact CG1-CE2 3.46Å; V60-Y62 VanDerWaalsContact CG1-CE2 3.46Å; V60-Y62 HydrophobicContact CG2-CE1 4.22Å; V60-Y62 HydrophobicContact CG2-CE2 4.04Å; Y62-K69 HydrophobicContact CD1-CB 3.83Å; Y62-K69 HydrophobicContact CD2-CD 4.22Å; Y62-K69 HydrophobicContact CG-CB 3.97Å; Y62-K69 HydrophobicContact CG-CD 4.17Å; Y62-K69 HydrophobicContact CG-CG 4.39Å; Y62-T70 CarbonylContact C-O 3.57Å; Y62-T70 VanDerWaalsContact CA-O 3.29Å; Y62-T70 WeakPolarHBondContact CA-O 3.49Å; Y62-V71 HydrophobicContact CD1-CG2 3.87Å; Y62-V71 HydrophobicContact CE1-CG2 3.5Å; Y62-L86 CarbonylContact O-C 3.58Å; Y62-L86 VanDerWaalsContact O-CA 3.28Å; Y62-L86 WeakPolarHBondContact O-CA 3.23Å; Y62-I87 PolarHBondContact N-O 3.26Å; Y62-I87 PolarHBondContact O-N 2.94Å; Y62-E89 HydrophobicContact CE2-CB 4.14Å; Y62-E89 VanDerWaalsContact CE2-OE2 3.24Å; Y62-E89 WeakPolarHBondContact CE2-OE2 3.23Å
63	R	88.2	Confident	80.1	Confident	52 Å²	52	60.3 Å²	60.3	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.7	162.8	-174.9	-160.4	-64.1	-138.5	11.2	108.7	I65 K69 T70 T72 E84 L86	R63-I65 HydrophobicContact CG-CG1 4.05Å; R63-K69 WeakPolarHBondContact O-CA 3.33Å; R63-T70 PolarHBondContact N-O 3.39Å; R63-T70 PolarHBondContact O-N 3.41Å; R63-T70 PolarHBondContact O-OG1 2.94Å; R63-T72 WeakPolarHBondContact CB-OG1 3.14Å; R63-E84 WeakPolarHBondContact CD-OE2 3.43Å; R63-E84 VanDerWaalsContact CG-OE2 3.25Å; R63-E84 WeakPolarHBondContact CG-OE2 3.36Å; R63-E84 IonicContact CZ-OE1 2.81Å; R63-E84 IonicContact CZ-OE2 3.83Å; R63-E84 IonicContact NE-OE2 3.75Å; R63-E84 PolarHBondContact NE-OE2 2.86Å; R63-E84 IonicContact NH1-OE1 3.65Å; R63-E84 PolarHBondContact NH1-OE1 2.96Å; R63-E84 IonicContact NH1-OE2 3.45Å; R63-E84 PolarHBondContact NH1-OE2 2.54Å; R63-L86 HydrophobicContact CB-CD2 3.94Å; R63-L86 HydrophobicContact CG-CD2 4.21Å
64	L	83.1	Confident	81.2	Confident	55 Å²	55	61 Å²	61	29%	0.288	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	88.1	179.7	-169.9	67.2	0	0	0	110.9	E85 I87	L64-E85 HydrophobicContact CB-CB 4.32Å; L64-E85 WeakPolarHBondContact CB-O 3.4Å; L64-E85 PolarHBondContact N-O 3.03Å; L64-I87 HydrophobicContact CB-CD1 4.48Å; L64-I87 HydrophobicContact CD1-CD1 4.06Å; L64-I87 HydrophobicContact CD2-CD1 4.39Å
65	I	80.5	Confident	82	Confident	75 Å²	75	66.1 Å²	66.1	39%	0.385	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.8	176.7	-54.4	178.5	0	0	0	109.3	R63 G67 R68 T70	R63-I65 HydrophobicContact CG-CG1 4.05Å; I65-G67 PolarHBondContact O-N 2.93Å; I65-G67 VanDerWaalsContact O-N 3.15Å; I65-R68 PolarHBondContact N-O 3.1Å; I65-R68 PolarHBondContact O-N 3.3Å; I65-T70 HydrophobicContact CD1-CG2 4.46Å
66	K	76.7	Confident	82.7	Confident	211 Å²	211	65.5 Å²	65.5	92%	0.917	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	40.3	176.6	-60.5	-179.1	179.2	-180	0	113.2	R68	K66-R68 VanDerWaalsContact C-N 3.28Å; K66-R68 PolarHBondContact O-N 3.28Å
67	G	74.6	Confident	83.4	Confident	65 Å²	65	67 Å²	67	67%	0.67	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-1.7	-178.7	0	0	0	0	0	115.7	I65	I65-G67 PolarHBondContact O-N 2.93Å; I65-G67 VanDerWaalsContact O-N 3.15Å
68	R	79.8	Confident	84.3	Confident	199 Å²	199	62 Å²	62	75%	0.751	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.8	171.2	-65.1	-175.5	178.3	-177	-1	110.3	I65 K66	I65-R68 PolarHBondContact N-O 3.1Å; I65-R68 PolarHBondContact O-N 3.3Å; K66-R68 VanDerWaalsContact C-N 3.28Å; K66-R68 PolarHBondContact O-N 3.28Å
69	K	84.6	Confident	84.9	Confident	100 Å²	100	63.2 Å²	63.2	44%	0.435	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.6	171.7	-65.9	-179.2	-178.4	177.1	0	109.8	Y62 R63 I87 E89	Y62-K69 HydrophobicContact CD1-CB 3.83Å; Y62-K69 HydrophobicContact CD2-CD 4.22Å; Y62-K69 HydrophobicContact CG-CB 3.97Å; Y62-K69 HydrophobicContact CG-CD 4.17Å; Y62-K69 HydrophobicContact CG-CG 4.39Å; R63-K69 WeakPolarHBondContact O-CA 3.33Å; K69-I87 HydrophobicContact CG-CD1 4.43Å; K69-E89 IonicContact NZ-OE1 2.73Å; K69-E89 PolarHBondContact NZ-OE1 2.7Å; K69-E89 IonicContact NZ-OE2 2.72Å; K69-E89 PolarHBondContact NZ-OE2 3.45Å
70	T	84.6	Confident	85.1	Confident	57 Å²	57	67.6 Å²	67.6	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127	170.8	51.1	0	0	0	0	109.7	Y62 R63 I65 T72	Y62-T70 CarbonylContact C-O 3.57Å; Y62-T70 VanDerWaalsContact CA-O 3.29Å; Y62-T70 WeakPolarHBondContact CA-O 3.49Å; R63-T70 PolarHBondContact N-O 3.39Å; R63-T70 PolarHBondContact O-N 3.41Å; R63-T70 PolarHBondContact O-OG1 2.94Å; I65-T70 HydrophobicContact CD1-CG2 4.46Å; T70-T72 PolarHBondContact O-N 2.97Å
71	V	85.9	Confident	85.1	Confident	94 Å²	94	66.6 Å²	66.6	57%	0.57	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	134.2	179.5	179.2	0	0	0	0	109.5	V60 Y62	V60-V71 HydrophobicContact CG2-CG1 4.19Å; V60-V71 HydrophobicContact CG2-CG2 4.42Å; Y62-V71 HydrophobicContact CD1-CG2 3.87Å; Y62-V71 HydrophobicContact CE1-CG2 3.5Å
72	T	86.5	Confident	84.9	Confident	11 Å²	11	70.7 Å²	70.7	7%	0.067	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.7	177.6	-63.5	0	0	0	0	108.7	V41 V61 R63 T70 T76	V41-T72 HydrophobicContact CG2-CG2 4.28Å; V61-T72 PolarHBondContact O-N 3.22Å; R63-T72 WeakPolarHBondContact CB-OG1 3.14Å; T70-T72 PolarHBondContact O-N 2.97Å; T72-T76 HydrophobicContact CG2-CG2 4.09Å
73	A	86.5	Confident	84.6	Confident	51 Å²	51	71 Å²	71	42%	0.421	40%	0.403	S	S	.	.			trans	-70.5	144.4	-178.8	0	0	0	0	0	111	D75 T76	A73-D75 WeakPolarHBondContact CB-OD1 3.47Å; A73-D75 PolarHBondContact O-N 2.91Å; A73-T76 PolarHBondContact N-OG1 2.8Å; A73-T76 WeakPolarHBondContact O-CB 3.32Å; A73-T76 PolarHBondContact O-N 3.22Å; A73-T76 PolarHBondContact O-OG1 2.95Å
74	W	86.9	Confident	84.6	Confident	34 Å²	34	71.1 Å²	71.1	13%	0.129	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.1	-175.4	-74.9	108.7	0	0	0	114	V41 Y42 L45 L49 Q56 C59 V61 F154	V41-W74 HydrophobicContact CG1-CE3 4.11Å; V41-W74 HydrophobicContact CG1-CZ3 4.4Å; V41-W74 PolarHBondContact N-O 2.77Å; Y42-W74 WeakPolarHBondContact CB-O 3.27Å; Y42-W74 PolarHBondContact N-O 3.46Å; L45-W74 HydrophobicContact CB-CZ3 4.13Å; L45-W74 HydrophobicContact CD1-CH2 4.37Å; L45-W74 HydrophobicContact CD1-CZ3 3.81Å; L49-W74 HydrophobicContact CD1-CH2 3.53Å; L49-W74 HydrophobicContact CD1-CZ3 3.82Å; Q56-W74 HydrophobicContact CB-CD2 4.05Å; Q56-W74 HydrophobicContact CB-CE3 4.28Å; Q56-W74 HydrophobicContact CB-CH2 4.06Å; Q56-W74 HydrophobicContact CB-CZ2 3.8Å; Q56-W74 HydrophobicContact CB-CZ3 4.27Å; Q56-W74 HydrophobicContact CG-CD2 4.15Å; Q56-W74 HydrophobicContact CG-CE3 3.86Å; Q56-W74 HydrophobicContact CG-CH2 3.84Å; Q56-W74 HydrophobicContact CG-CZ2 4.11Å; Q56-W74 HydrophobicContact CG-CZ3 3.68Å; Q56-W74 PolarHBondContact O-NE1 3.2Å; C59-W74 HydrophobicContact CB-CH2 4.15Å; C59-W74 HydrophobicContact CB-CZ2 3.78Å; C59-W74 WeakPolarHBondContact O-CZ2 3.47Å; V61-W74 HydrophobicContact CG2-CD2 4.1Å; V61-W74 HydrophobicContact CG2-CE3 3.89Å; V61-W74 HydrophobicContact CG2-CH2 3.37Å; V61-W74 HydrophobicContact CG2-CZ2 3.6Å; V61-W74 HydrophobicContact CG2-CZ3 3.54Å; W74-F154 AromaticContact NE1-CZ 3.94Å
75	D	87.7	Confident	84.9	Confident	122 Å²	122	70.8 Å²	70.8	65%	0.652	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.7	177.2	62.8	-27	0	0	0	114.1	A73 A77	A73-D75 WeakPolarHBondContact CB-OD1 3.47Å; A73-D75 PolarHBondContact O-N 2.91Å; D75-A77 PolarHBondContact O-N 3.18Å
76	T	87.7	Confident	85.3	Confident	40 Å²	40	67.3 Å²	67.3	25%	0.245	39%	0.385	C	S	.	.	S	Bend	trans	-56	130.5	174.3	-51.9	0	0	0	0	109.7	S40 V41 T72 A73	S40-T76 CarbonylContact C-O 3.57Å; S40-T76 WeakPolarHBondContact CA-O 3.43Å; V41-T76 PolarHBondContact N-O 2.85Å; T72-T76 HydrophobicContact CG2-CG2 4.09Å; A73-T76 PolarHBondContact N-OG1 2.8Å; A73-T76 WeakPolarHBondContact O-CB 3.32Å; A73-T76 PolarHBondContact O-N 3.22Å; A73-T76 PolarHBondContact O-OG1 2.95Å
77	A	89.4	Confident	86	Confident	48 Å²	48	58.5 Å²	58.5	40%	0.397	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-61.6	142.5	173.8	0	0	0	0	0	110.7	D75 P80	D75-A77 PolarHBondContact O-N 3.18Å; A77-P80 WeakPolarHBondContact O-CD 3.23Å
78	I	88.4	Confident	86.6	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	32%	0.316	C	S	.	.	S	Bend	trans	-80.1	-22	178.6	-165.4	162.3	0	0	0	113.4	V21 V33 V35 M39 S44 L81	V21-I78 HydrophobicContact CB-CD1 4.41Å; V21-I78 HydrophobicContact CG2-CD1 3.8Å; V21-I78 HydrophobicContact CG2-CG1 3.68Å; V33-I78 HydrophobicContact CG1-CD1 4.33Å; V35-I78 HydrophobicContact CG1-CG2 4.44Å; V35-I78 HydrophobicContact CG2-CG1 4.44Å; M39-I78 HydrophobicContact CB-CG2 3.87Å; M39-I78 WeakPolarHBondContact O-CG2 3.28Å; M39-I78 PolarHBondContact O-N 2.96Å; S44-I78 VanDerWaalsContact CB-CD1 3.43Å; S44-I78 WeakPolarHBondContact OG-CD1 3.4Å; I78-L81 HydrophobicContact CG1-CB 4.46Å; I78-L81 HydrophobicContact CG1-CD1 4.35Å; I78-L81 VanDerWaalsContact O-CB 3.32Å; I78-L81 WeakPolarHBondContact O-CB 3.46Å; I78-L81 PolarHBondContact O-N 2.86Å
79	A	85.6	Confident	86.8	Confident	35 Å²	35	49.2 Å²	49.2	29%	0.289	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.1	-42.4	-177.8	0	0	0	0	0	114.5	V35 L81	V35-A79 HydrophobicContact CG1-CB 4.38Å; A79-L81 PolarHBondContact O-N 2.81Å
80	P	86.3	Confident	86.4	Confident	92 Å²	92	45.8 Å²	45.8	60%	0.597	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-75.1	2.4	175	-15.5	32.6	0	0	0	115	A77	A77-P80 WeakPolarHBondContact O-CD 3.23Å
81	L	84.9	Confident	85.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-103.4	6.2	-179.3	-46.3	-177.5	0	0	0	112.3	V21 V41 I78 A79 G83 E84 L86	V21-L81 HydrophobicContact CG2-CB 4.12Å; V21-L81 WeakPolarHBondContact CG2-O 3.34Å; V41-L81 HydrophobicContact CG2-CD1 3.52Å; I78-L81 HydrophobicContact CG1-CB 4.46Å; I78-L81 HydrophobicContact CG1-CD1 4.35Å; I78-L81 VanDerWaalsContact O-CB 3.32Å; I78-L81 WeakPolarHBondContact O-CB 3.46Å; I78-L81 PolarHBondContact O-N 2.86Å; A79-L81 PolarHBondContact O-N 2.81Å; L81-G83 PolarHBondContact O-N 2.83Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.49Å; L81-E84 VanDerWaalsContact O-CB 3.3Å; L81-E84 WeakPolarHBondContact O-CB 3.28Å; L81-E84 PolarHBondContact O-N 3.11Å; L81-L86 HydrophobicContact CD1-CD1 4.17Å; L81-L86 HydrophobicContact CD1-CD2 4.42Å
82	D	85.5	Confident	84.4	Confident	87 Å²	87	49.5 Å²	49.5	47%	0.465	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	130.5	-176.3	-168	17	0	0	0	111.9	G19 T20 V35 E84	G19-D82 VanDerWaalsContact C-OD1 3.24Å; G19-D82 WeakPolarHBondContact CA-OD1 3.4Å; G19-D82 WeakPolarHBondContact CA-OD2 3.38Å; T20-D82 PolarHBondContact N-OD1 2.95Å; V35-D82 HydrophobicContact CG2-CB 3.99Å; D82-E84 PolarHBondContact O-N 3.36Å
83	G	82.5	Confident	82.8	Confident	61 Å²	61	53.3 Å²	53.3	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-6.4	-173.6	0	0	0	0	0	115.7	T20 L81	T20-G83 PolarHBondContact O-N 3.39Å; T20-G83 VanDerWaalsContact O-N 3.1Å; L81-G83 PolarHBondContact O-N 2.83Å
84	E	88	Confident	81.2	Confident	56 Å²	56	51.5 Å²	51.5	26%	0.262	30%	0.295	S	S	.	.			trans	-79.6	168.8	176.6	-60.8	-168.6	149.4	0	0	113.1	V21 K22 R63 L81 D82	V21-E84 WeakPolarHBondContact CG1-O 3.3Å; K22-E84 PolarHBondContact N-O 2.91Å; R63-E84 WeakPolarHBondContact CD-OE2 3.43Å; R63-E84 VanDerWaalsContact CG-OE2 3.25Å; R63-E84 WeakPolarHBondContact CG-OE2 3.36Å; R63-E84 IonicContact CZ-OE1 2.81Å; R63-E84 IonicContact CZ-OE2 3.83Å; R63-E84 IonicContact NE-OE2 3.75Å; R63-E84 PolarHBondContact NE-OE2 2.86Å; R63-E84 IonicContact NH1-OE1 3.65Å; R63-E84 PolarHBondContact NH1-OE1 2.96Å; R63-E84 IonicContact NH1-OE2 3.45Å; R63-E84 PolarHBondContact NH1-OE2 2.54Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.49Å; L81-E84 VanDerWaalsContact O-CB 3.3Å; L81-E84 WeakPolarHBondContact O-CB 3.28Å; L81-E84 PolarHBondContact O-N 3.11Å; D82-E84 PolarHBondContact O-N 3.36Å
85	E	89.5	Confident	79.5	Confident	48 Å²	48	53 Å²	53	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.8	175.9	-56.4	-165.6	155.7	0	0	110.2	K22 Y24 L64	K22-E85 HydrophobicContact CB-CG 4.25Å; K22-E85 HydrophobicContact CD-CG 4.39Å; K22-E85 WeakPolarHBondContact CD-OE1 3.41Å; K22-E85 IonicContact NZ-OE1 2.72Å; K22-E85 PolarHBondContact NZ-OE1 3.47Å; K22-E85 WeakPolarHBondContact O-CA 3.35Å; Y24-E85 HydrophobicContact CE2-CB 4.14Å; Y24-E85 HydrophobicContact CE2-CG 4.44Å; L64-E85 HydrophobicContact CB-CB 4.32Å; L64-E85 WeakPolarHBondContact CB-O 3.4Å; L64-E85 PolarHBondContact N-O 3.03Å
86	L	90.8	Very high	77.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.3	173.6	-60.9	-179.5	0	0	0	110.3	V21 K22 V23 Y24 V61 Y62 R63 L81	V21-L86 HydrophobicContact CG1-CD1 3.86Å; V21-L86 HydrophobicContact CG1-CG 3.73Å; K22-L86 PolarHBondContact O-N 3.49Å; V23-L86 CarbonylContact C-O 3.5Å; V23-L86 WeakPolarHBondContact CA-O 3.2Å; V23-L86 HydrophobicContact CG1-CB 4.36Å; V23-L86 HydrophobicContact CG2-CB 4.36Å; Y24-L86 PolarHBondContact N-O 3.11Å; V61-L86 HydrophobicContact CG1-CB 4.19Å; V61-L86 HydrophobicContact CG1-CD1 4.16Å; V61-L86 HydrophobicContact CG1-CD2 4.28Å; V61-L86 HydrophobicContact CG1-CG 4.45Å; Y62-L86 CarbonylContact O-C 3.58Å; Y62-L86 VanDerWaalsContact O-CA 3.28Å; Y62-L86 WeakPolarHBondContact O-CA 3.23Å; R63-L86 HydrophobicContact CB-CD2 3.94Å; R63-L86 HydrophobicContact CG-CD2 4.21Å; L81-L86 HydrophobicContact CD1-CD1 4.17Å; L81-L86 HydrophobicContact CD1-CD2 4.42Å
87	I	89.6	Confident	76.7	Confident	26 Å²	26	51.8 Å²	51.8	13%	0.133	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.7	173.7	-57.3	176.3	0	0	0	107.5	Y24 Y62 L64 K69 E89	Y24-I87 HydrophobicContact CD2-CG1 4.22Å; Y62-I87 PolarHBondContact N-O 3.26Å; Y62-I87 PolarHBondContact O-N 2.94Å; L64-I87 HydrophobicContact CB-CD1 4.48Å; L64-I87 HydrophobicContact CD1-CD1 4.06Å; L64-I87 HydrophobicContact CD2-CD1 4.39Å; K69-I87 HydrophobicContact CG-CD1 4.43Å; I87-E89 HydrophobicContact CG2-CG 4.01Å
88	V	87.4	Confident	75.7	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.8	171.8	-170.4	0	0	0	0	108.6	V23 Y24 L25 P26 L45 L49 C59 V60 V61	V23-V88 HydrophobicContact CG1-CG2 3.76Å; Y24-V88 PolarHBondContact O-N 2.88Å; L25-V88 HydrophobicContact CD2-CB 4.01Å; L25-V88 HydrophobicContact CD2-CG2 3.83Å; P26-V88 VanDerWaalsContact CD-O 3.24Å; P26-V88 WeakPolarHBondContact CD-O 3.5Å; P26-V88 WeakPolarHBondContact CG-O 3.45Å; L45-V88 HydrophobicContact CD1-CG2 3.85Å; L49-V88 HydrophobicContact CD2-CG1 4.11Å; C59-V88 HydrophobicContact CB-CG1 3.69Å; V60-V88 WeakPolarHBondContact O-CA 3.41Å; V61-V88 HydrophobicContact CG2-CG2 4.28Å
89	E	84.3	Confident	75	Confident	67 Å²	67	58.6 Å²	58.6	31%	0.313	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.3	176	-79.6	166.9	176	0	0	109.6	C59 V60 Y62 K69 I87	C59-E89 CarbonylContact C-O 3.51Å; C59-E89 VanDerWaalsContact CA-O 3.31Å; C59-E89 WeakPolarHBondContact CA-O 3.33Å; V60-E89 HydrophobicContact CG1-CB 4.23Å; V60-E89 PolarHBondContact N-O 3Å; V60-E89 PolarHBondContact O-N 3.5Å; Y62-E89 HydrophobicContact CE2-CB 4.14Å; Y62-E89 VanDerWaalsContact CE2-OE2 3.24Å; Y62-E89 WeakPolarHBondContact CE2-OE2 3.23Å; K69-E89 IonicContact NZ-OE1 2.73Å; K69-E89 PolarHBondContact NZ-OE1 2.7Å; K69-E89 IonicContact NZ-OE2 2.72Å; K69-E89 PolarHBondContact NZ-OE2 3.45Å; I87-E89 HydrophobicContact CG2-CG 4.01Å
90	V	76.7	Confident	74.8	Confident	29 Å²	29	60.7 Å²	60.7	18%	0.176	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.2	170.7	-174.2	0	0	0	0	107.2	P26 L54 C58 E92 V94 L96	P26-V90 HydrophobicContact CB-CG2 3.84Å; P26-V90 HydrophobicContact CG-CG2 3.56Å; L54-V90 HydrophobicContact CD1-CG2 4.49Å; L54-V90 HydrophobicContact CD2-CG2 3.88Å; C58-V90 WeakPolarHBondContact O-CA 3.19Å; C58-V90 WeakPolarHBondContact O-CG1 3.4Å; V90-E92 PolarHBondContact O-N 3.48Å; V90-V94 HydrophobicContact CG1-CB 3.85Å; V90-V94 HydrophobicContact CG1-CG1 4.31Å; V90-V94 HydrophobicContact CG1-CG2 3.96Å; V90-L96 HydrophobicContact CB-CD1 4.44Å; V90-L96 HydrophobicContact CG1-CD1 4.07Å; V90-L96 HydrophobicContact CG1-CD2 4.13Å; V90-L96 HydrophobicContact CG1-CG 4.22Å; V90-L96 HydrophobicContact CG2-CD1 4.19Å
91	L	72	Confident	74.9	Confident	33 Å²	33	59.7 Å²	59.7	17%	0.173	32%	0.321	C	S	.	.			trans	-57.9	132.2	175.7	-61.2	171.4	0	0	0	109.8	C58 V60 D93 V94 F154	C58-L91 PolarHBondContact O-N 2.95Å; V60-L91 HydrophobicContact CB-CD2 4.1Å; V60-L91 HydrophobicContact CG1-CD2 3.96Å; L91-D93 PolarHBondContact O-N 3.42Å; L91-D93 VanDerWaalsContact O-N 3.14Å; L91-V94 HydrophobicContact CB-CG2 3.94Å; L91-V94 WeakPolarHBondContact O-CB 3.49Å; L91-V94 VanDerWaalsContact O-CG2 3.24Å; L91-V94 WeakPolarHBondContact O-CG2 3.38Å; L91-V94 PolarHBondContact O-N 2.84Å; L91-F154 HydrophobicContact CD1-CE2 4.24Å
92	E	55.7	Low	75	Confident	195 Å²	195	62.7 Å²	62.7	91%	0.911	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.6	-169.4	-63	-173.6	155.5	0	0	112.9	V90 V94	V90-E92 PolarHBondContact O-N 3.48Å; E92-V94 PolarHBondContact O-N 3.49Å
93	D	53.7	Low	75.3	Confident	91 Å²	91	67.9 Å²	67.9	49%	0.487	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	10.5	177.4	-60.9	-54.5	0	0	0	114.2	L91 P95 N150 Q153	L91-D93 PolarHBondContact O-N 3.42Å; L91-D93 VanDerWaalsContact O-N 3.14Å; D93-P95 WeakPolarHBondContact O-CD 3.36Å; D93-N150 PolarHBondContact O-ND2 2.86Å; D93-Q153 PolarHBondContact OD2-NE2 3.43Å
94	V	52.5	Low	75.7	Confident	14 Å²	14	69.5 Å²	69.5	9%	0.085	34%	0.342	C	S	.	.			trans	-94.5	101.3	175.7	-170.8	0	0	0	0	110.7	C58 V90 L91 E92 L96 N150	C58-V94 HydrophobicContact CB-CG1 4.44Å; C58-V94 HydrophobicContact CB-CG2 4.05Å; V90-V94 HydrophobicContact CG1-CB 3.85Å; V90-V94 HydrophobicContact CG1-CG1 4.31Å; V90-V94 HydrophobicContact CG1-CG2 3.96Å; L91-V94 HydrophobicContact CB-CG2 3.94Å; L91-V94 WeakPolarHBondContact O-CB 3.49Å; L91-V94 VanDerWaalsContact O-CG2 3.24Å; L91-V94 WeakPolarHBondContact O-CG2 3.38Å; L91-V94 PolarHBondContact O-N 2.84Å; E92-V94 PolarHBondContact O-N 3.49Å; V94-L96 VanDerWaalsContact C-N 3.26Å; V94-L96 HydrophobicContact CB-CD2 4.44Å; V94-L96 HydrophobicContact CG1-CD2 3.59Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; V94-L96 PolarHBondContact O-N 3.11Å; V94-N150 VanDerWaalsContact CA-ND2 3.32Å; V94-N150 WeakPolarHBondContact CA-ND2 3.37Å; V94-N150 WeakPolarHBondContact CG2-OD1 3.45Å
95	P	51.3	Low	75.8	Confident	65 Å²	65	69 Å²	69	42%	0.422	34%	0.343	S	S	.	.			trans	-68	88.7	167.2	28.6	-34.4	0	0	0	109.3	D93 T97	D93-P95 WeakPolarHBondContact O-CD 3.36Å; P95-T97 PolarHBondContact O-N 3.19Å
96	L	53.5	Low	75.8	Confident	74 Å²	74	67.2 Å²	67.2	39%	0.387	33%	0.334	S	S	.	.			trans	-68.1	69.4	174.3	-65.9	-179.6	0	0	0	110.7	V90 V94 V143	V90-L96 HydrophobicContact CB-CD1 4.44Å; V90-L96 HydrophobicContact CG1-CD1 4.07Å; V90-L96 HydrophobicContact CG1-CD2 4.13Å; V90-L96 HydrophobicContact CG1-CG 4.22Å; V90-L96 HydrophobicContact CG2-CD1 4.19Å; V94-L96 VanDerWaalsContact C-N 3.26Å; V94-L96 HydrophobicContact CB-CD2 4.44Å; V94-L96 HydrophobicContact CG1-CD2 3.59Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; V94-L96 PolarHBondContact O-N 3.11Å; L96-V143 HydrophobicContact CB-CG1 4.49Å; L96-V143 HydrophobicContact CD2-CB 4.35Å; L96-V143 HydrophobicContact CD2-CG1 3.47Å; L96-V143 VanDerWaalsContact CD2-CG1 3.47Å; L96-V143 HydrophobicContact CD2-CG2 3.89Å
97	T	62.7	Low	75.5	Confident	62 Å²	62	75 Å²	75	38%	0.38	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.9	170.8	68.4	0	0	0	0	109.5	P95 C144	P95-T97 PolarHBondContact O-N 3.19Å; T97-C144 WeakPolarHBondContact O-CA 3.17Å; T97-C144 WeakPolarHBondContact O-CB 3.36Å; T97-C144 PolarHBondContact O-N 3.5Å; T97-C144 WeakPolarHBondContact OG1-CB 3.29Å; T97-C144 PolarHBondContact OG1-O 3.29Å
98	M	69.1	Low	75.2	Confident	166 Å²	166	75.7 Å²	75.7	82%	0.818	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.5	168.4	-67.1	-132.9	-60.6	0	0	110	N100	M98-N100 PolarHBondContact O-N 2.77Å
99	H	74	Confident	75.1	Confident	26 Å²	26	79.7 Å²	79.7	12%	0.12	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-66.8	118.7	175.9	-74.5	-78.7	0	0	0	112	F101 C125 C128 P141 V143 C144	H99-F101 HydrophobicContact CB-CD1 4.12Å; H99-F101 HydrophobicContact CB-CD2 3.69Å; H99-F101 HydrophobicContact CB-CE1 3.68Å; H99-F101 HydrophobicContact CB-CE2 3.21Å; H99-F101 HydrophobicContact CB-CG 4.12Å; H99-F101 HydrophobicContact CB-CZ 3.18Å; H99-F101 AromaticContact CD2-CZ 3.51Å; H99-F101 AromaticContact CG-CE1 3.77Å; H99-F101 AromaticContact CG-CE2 3.74Å; H99-F101 AromaticContact CG-CZ 3.22Å; H99-F101 AromaticContact ND1-CE1 3.82Å; H99-F101 AromaticContact ND1-CZ 3.7Å; H99-F101 PolarHBondContact O-N 2.78Å; H99-C125 PolarHBondContact ND1-SG 2.55Å; H99-C128 PolarHBondContact CE1-SG 2.78Å; H99-C128 PolarHBondContact ND1-SG 3.27Å; H99-P141 PolarHBondContact CD2-O 3.01Å; H99-P141 PolarHBondContact NE2-O 3.09Å; H99-V143 PolarHBondContact NE2-O 3.18Å; H99-C144 HydrophobicContact CB-CB 4.23Å; H99-C144 WeakPolarHBondContact ND1-CB 3.5Å
100	N	81	Confident	75.4	Confident	80 Å²	80	76.7 Å²	76.7	43%	0.428	38%	0.383	S	S	.	.			trans	-80.3	94.9	164.2	177.7	1.7	0	0	0	109.6	M98 C125 Q126	M98-N100 PolarHBondContact O-N 2.77Å; N100-C125 CarbonylContact O-C 3.55Å; N100-C125 VanDerWaalsContact O-CA 3.26Å; N100-C125 WeakPolarHBondContact O-CA 3.17Å; N100-Q126 PolarHBondContact ND2-OE1 3.12Å; N100-Q126 PolarHBondContact O-N 3.31Å
101	F	87.8	Confident	76.1	Confident	70 Å²	70	76.9 Å²	76.9	31%	0.307	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.3	-179	-67.6	-58.1	0	0	0	113	H99 C125 F132 V140	H99-F101 HydrophobicContact CB-CD1 4.12Å; H99-F101 HydrophobicContact CB-CD2 3.69Å; H99-F101 HydrophobicContact CB-CE1 3.68Å; H99-F101 HydrophobicContact CB-CE2 3.21Å; H99-F101 HydrophobicContact CB-CG 4.12Å; H99-F101 HydrophobicContact CB-CZ 3.18Å; H99-F101 AromaticContact CD2-CZ 3.51Å; H99-F101 AromaticContact CG-CE1 3.77Å; H99-F101 AromaticContact CG-CE2 3.74Å; H99-F101 AromaticContact CG-CZ 3.22Å; H99-F101 AromaticContact ND1-CE1 3.82Å; H99-F101 AromaticContact ND1-CZ 3.7Å; H99-F101 PolarHBondContact O-N 2.78Å; F101-C125 HydrophobicContact CD1-CB 3.76Å; F101-C125 HydrophobicContact CE1-CB 3.67Å; F101-F132 AromaticContact CD1-CE1 3.65Å; F101-F132 HydrophobicContact CD1-CE1 3.65Å; F101-F132 HydrophobicContact CD1-CZ 4.41Å; F101-F132 HydrophobicContact CD2-CE1 4.4Å; F101-F132 HydrophobicContact CD2-CZ 4.47Å; F101-F132 HydrophobicContact CE1-CD1 4.26Å; F101-F132 AromaticContact CE1-CE1 3.52Å; F101-F132 HydrophobicContact CE1-CE1 3.52Å; F101-F132 HydrophobicContact CE1-CZ 4.44Å; F101-F132 HydrophobicContact CE2-CE1 4.26Å; F101-F132 HydrophobicContact CE2-CZ 4.48Å; F101-F132 HydrophobicContact CG-CE1 4.11Å; F101-F132 HydrophobicContact CG-CZ 4.44Å; F101-F132 AromaticContact CZ-CE1 3.85Å; F101-F132 HydrophobicContact CZ-CE1 3.85Å; F101-F132 HydrophobicContact CZ-CZ 4.48Å; F101-V140 HydrophobicContact CE1-CG1 4.24Å; F101-V140 HydrophobicContact CE2-CG1 4.2Å; F101-V140 HydrophobicContact CZ-CG1 3.47Å; F101-V140 VanDerWaalsContact CZ-CG1 3.47Å
102	V	87.6	Confident	77	Confident	63 Å²	63	75.3 Å²	75.3	38%	0.382	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.4	173.3	177.2	0	0	0	0	110	K104 F123 R124 Q126	V102-K104 PolarHBondContact O-N 2.89Å; V102-F123 WeakPolarHBondContact O-CA 3.27Å; V102-R124 PolarHBondContact N-O 3.49Å; V102-R124 PolarHBondContact O-N 3.22Å; V102-Q126 HydrophobicContact CB-CG 4.44Å; V102-Q126 HydrophobicContact CG2-CG 3.83Å
103	R	92.5	Very high	78.5	Confident	197 Å²	197	67.5 Å²	67.5	74%	0.743	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.3	172	-71.7	-174.2	-170.5	-173.3	5.8	109.5	G122 F123	R103-G122 CarbonylContact C-O 3.6Å; R103-G122 WeakPolarHBondContact CA-O 3.37Å; R103-F123 HydrophobicContact CG-CD1 3.87Å; R103-F123 HydrophobicContact CG-CE1 3.42Å; R103-F123 VanDerWaalsContact CG-CE1 3.42Å; R103-F123 HydrophobicContact CG-CZ 3.93Å
104	K	89.6	Confident	80.1	Confident	95 Å²	95	67.9 Å²	67.9	41%	0.413	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	-178.5	-174	164.9	-177.3	170.9	0	111.6	V102 F106 G122 R124	V102-K104 PolarHBondContact O-N 2.89Å; K104-F106 HydrophobicContact CB-CE2 4.02Å; K104-F106 HydrophobicContact CB-CZ 4.09Å; K104-F106 HydrophobicContact CD-CD1 4.34Å; K104-F106 HydrophobicContact CD-CE1 3.88Å; K104-F106 HydrophobicContact CD-CZ 4.06Å; K104-F106 HydrophobicContact CG-CD1 4.45Å; K104-F106 HydrophobicContact CG-CD2 4.41Å; K104-F106 HydrophobicContact CG-CE1 4.21Å; K104-F106 HydrophobicContact CG-CE2 4.16Å; K104-F106 HydrophobicContact CG-CZ 4.07Å; K104-F106 WeakPolarHBondContact O-CE2 3.43Å; K104-G122 PolarHBondContact N-O 2.86Å; K104-G122 PolarHBondContact O-N 2.89Å; K104-G122 VanDerWaalsContact O-N 3.13Å; K104-R124 HydrophobicContact CB-CB 4.41Å; K104-R124 HydrophobicContact CD-CB 4.42Å
105	T	91.5	Very high	81.9	Confident	46 Å²	46	68.8 Å²	68.8	28%	0.282	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.6	162.2	-57.4	0	0	0	0	108.6	F107 F120 H121	T105-F107 HydrophobicContact CG2-CE1 4.11Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CZ 4.01Å; T105-F120 WeakPolarHBondContact CA-O 3.23Å; T105-F120 HydrophobicContact CG2-CE2 4.2Å; T105-F120 HydrophobicContact CG2-CZ 4.47Å; T105-H121 WeakPolarHBondContact CG2-CE1 3.43Å; T105-H121 PolarHBondContact OG1-CD2 3.35Å; T105-H121 PolarHBondContact OG1-NE2 3.33Å
106	F	88	Confident	83.6	Confident	9 Å²	9	68.1 Å²	68.1	4%	0.039	33%	0.334	C	S	.	.			trans	-106.3	102.6	-177.8	-63.6	-93.7	0	0	0	109.3	K104 A110 L119 F120 R124 K131	K104-F106 HydrophobicContact CB-CE2 4.02Å; K104-F106 HydrophobicContact CB-CZ 4.09Å; K104-F106 HydrophobicContact CD-CD1 4.34Å; K104-F106 HydrophobicContact CD-CE1 3.88Å; K104-F106 HydrophobicContact CD-CZ 4.06Å; K104-F106 HydrophobicContact CG-CD1 4.45Å; K104-F106 HydrophobicContact CG-CD2 4.41Å; K104-F106 HydrophobicContact CG-CE1 4.21Å; K104-F106 HydrophobicContact CG-CE2 4.16Å; K104-F106 HydrophobicContact CG-CZ 4.07Å; K104-F106 WeakPolarHBondContact O-CE2 3.43Å; F106-A110 HydrophobicContact CB-CB 3.86Å; F106-A110 HydrophobicContact CD1-CB 3.68Å; F106-A110 HydrophobicContact CE1-CB 4.38Å; F106-A110 HydrophobicContact CG-CB 3.82Å; F106-L119 WeakPolarHBondContact CB-O 3.23Å; F106-L119 HydrophobicContact CD2-CD2 4.12Å; F106-L119 HydrophobicContact CD2-CG 3.97Å; F106-L119 HydrophobicContact CE2-CD2 3.59Å; F106-L119 HydrophobicContact CE2-CG 3.89Å; F106-L119 HydrophobicContact CZ-CD2 3.98Å; F106-F120 PolarHBondContact N-O 3.38Å; F106-F120 WeakPolarHBondContact O-CD2 3.42Å; F106-R124 HydrophobicContact CZ-CB 4.18Å; F106-K131 HydrophobicContact CE1-CD 3.76Å; F106-K131 HydrophobicContact CE1-CG 4.29Å; F106-K131 HydrophobicContact CZ-CB 4.2Å; F106-K131 HydrophobicContact CZ-CD 4.06Å; F106-K131 HydrophobicContact CZ-CG 4.14Å
107	F	84.8	Confident	85.4	Confident	166 Å²	166	71.6 Å²	71.6	73%	0.728	35%	0.347	S	S	*	.	S	Bend	trans	-77.6	-22.3	176.2	-61.3	-74.5	0	0	0	113	T105	T105-F107 HydrophobicContact CG2-CE1 4.11Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CZ 4.01Å
108	S	83.9	Confident	86.7	Confident	40 Å²	40	71.4 Å²	71.4	28%	0.28	34%	0.34	S	S	.	.	S	Bend	trans	-90.4	156.4	167.6	60.7	0	0	0	0	110.8	A110	S108-A110 PolarHBondContact O-N 2.63Å
109	L	86	Confident	87.8	Confident	85 Å²	85	63.5 Å²	63.5	45%	0.445	30%	0.301	S	S	.	.			trans	-51.6	126	171.1	-174.9	65	0	0	0	110.4	F111 F118 A565	L109-F111 HydrophobicContact CD1-CE2 4.23Å; L109-F111 HydrophobicContact CD1-CZ 4.06Å; L109-F111 HydrophobicContact CD2-CE2 4.1Å; L109-F111 HydrophobicContact CD2-CZ 4.3Å; L109-F111 HydrophobicContact CG-CE2 3.91Å; L109-F111 HydrophobicContact CG-CZ 4.21Å; L109-F118 HydrophobicContact CD1-CD2 3.73Å; L109-F118 HydrophobicContact CD1-CE2 3.85Å; L109-A565 HydrophobicContact CD2-CB 4.06Å; L109-A565 HydrophobicContact CG-CB 4.22Å
110	A	89.2	Confident	88.6	Confident	4 Å²	4	67.2 Å²	67.2	3%	0.033	32%	0.318	C	S	.	.			trans	-147.5	154	179.1	0	0	0	0	0	109.5	F106 S108 F118 L119	F106-A110 HydrophobicContact CB-CB 3.86Å; F106-A110 HydrophobicContact CD1-CB 3.68Å; F106-A110 HydrophobicContact CE1-CB 4.38Å; F106-A110 HydrophobicContact CG-CB 3.82Å; S108-A110 PolarHBondContact O-N 2.63Å; A110-F118 WeakPolarHBondContact O-CD2 3.33Å; A110-L119 PolarHBondContact O-N 3.17Å
111	F	90.9	Very high	89.1	Confident	34 Å²	34	68.4 Å²	68.4	15%	0.149	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-123.6	154.6	178.2	-62.6	-88	0	0	0	110.2	L109 L116 K117 K131 Q562 A565	L109-F111 HydrophobicContact CD1-CE2 4.23Å; L109-F111 HydrophobicContact CD1-CZ 4.06Å; L109-F111 HydrophobicContact CD2-CE2 4.1Å; L109-F111 HydrophobicContact CD2-CZ 4.3Å; L109-F111 HydrophobicContact CG-CE2 3.91Å; L109-F111 HydrophobicContact CG-CZ 4.21Å; F111-L116 WeakPolarHBondContact CD1-O 3.41Å; F111-K117 WeakPolarHBondContact CA-O 3.36Å; F111-K131 VanDerWaalsContact O-CE 3.23Å; F111-K131 WeakPolarHBondContact O-CE 3.47Å; F111-Q562 HydrophobicContact CB-CG 4.26Å; F111-Q562 HydrophobicContact CD1-CG 3.86Å; F111-Q562 HydrophobicContact CD2-CB 4.19Å; F111-Q562 HydrophobicContact CD2-CG 3.85Å; F111-Q562 HydrophobicContact CE1-CG 4.15Å; F111-Q562 HydrophobicContact CE2-CG 4.13Å; F111-Q562 HydrophobicContact CG-CB 4.44Å; F111-Q562 HydrophobicContact CG-CG 3.72Å; F111-Q562 HydrophobicContact CZ-CG 4.27Å; F111-A565 HydrophobicContact CD2-CB 4.06Å; F111-A565 HydrophobicContact CE2-CB 3.72Å
112	C	91.4	Very high	89.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.311	C	S	.	.			trans	-76.7	127.8	170.6	171.9	0	0	0	0	109.4	F114 L116 K117 L119 H133	C112-F114 PolarHBondContact O-N 2.84Å; C112-L116 WeakPolarHBondContact O-CA 3.47Å; C112-L116 PolarHBondContact O-N 2.62Å; C112-K117 PolarHBondContact N-O 2.67Å; C112-L119 HydrophobicContact CB-CB 4.49Å; C112-H133 WeakPolarHBondContact CB-CE1 3.43Å; C112-H133 WeakPolarHBondContact CB-ND1 3.2Å; C112-H133 PolarHBondContact SG-ND1 2.87Å
113	D	87.9	Confident	89.6	Confident	31 Å²	31	64.4 Å²	64.4	17%	0.166	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.2	-174	-68.6	-7.4	0	0	0	113.8	Y130 K131 R544	D113-Y130 HydrophobicContact CB-CD1 4.31Å; D113-Y130 HydrophobicContact CB-CD2 4.07Å; D113-Y130 HydrophobicContact CB-CE1 3.96Å; D113-Y130 HydrophobicContact CB-CE2 3.72Å; D113-Y130 HydrophobicContact CB-CG 4.35Å; D113-Y130 WeakPolarHBondContact OD2-CA 3.3Å; D113-K131 VanDerWaalsContact CB-O 3.27Å; D113-K131 WeakPolarHBondContact CB-O 3.46Å; D113-K131 PolarHBondContact N-O 3.43Å; D113-K131 IonicContact OD1-NZ 3.78Å; D113-K131 PolarHBondContact OD1-NZ 3.17Å; D113-K131 PolarHBondContact OD2-N 2.88Å; D113-K131 IonicContact OD2-NZ 2.71Å; D113-K131 PolarHBondContact OD2-NZ 3.4Å; D113-R544 VanDerWaalsContact CB-NH2 3.29Å; D113-R544 VanDerWaalsContact CG-NH2 3.3Å; D113-R544 IonicContact OD2-CZ 2.73Å; D113-R544 IonicContact OD2-NH1 2.82Å; D113-R544 PolarHBondContact OD2-NH1 3.13Å; D113-R544 IonicContact OD2-NH2 2.76Å; D113-R544 PolarHBondContact OD2-NH2 2.98Å
114	F	87.6	Confident	89.4	Confident	98 Å²	98	59.3 Å²	59.3	43%	0.43	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-57.5	173.2	172.6	-104.5	0	0	0	112.3	C112 C136 K139	C112-F114 PolarHBondContact O-N 2.84Å; F114-C136 HydrophobicContact CD1-CB 4.11Å; F114-K139 HydrophobicContact CD1-CB 3.69Å; F114-K139 HydrophobicContact CD1-CG 4.09Å; F114-K139 HydrophobicContact CD2-CB 3.63Å; F114-K139 HydrophobicContact CD2-CG 4.5Å; F114-K139 HydrophobicContact CE1-CB 3.65Å; F114-K139 HydrophobicContact CE1-CD 4.43Å; F114-K139 HydrophobicContact CE1-CG 3.57Å; F114-K139 HydrophobicContact CE2-CB 3.59Å; F114-K139 HydrophobicContact CE2-CD 4.32Å; F114-K139 HydrophobicContact CE2-CG 4.03Å; F114-K139 HydrophobicContact CG-CB 3.69Å; F114-K139 HydrophobicContact CZ-CB 3.6Å; F114-K139 HydrophobicContact CZ-CD 3.94Å; F114-K139 HydrophobicContact CZ-CG 3.54Å
115	C	89.2	Confident	89.1	Confident	34 Å²	34	54.8 Å²	54.8	23%	0.23	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.4	-173.3	75.8	0	0	0	0	114	K117 H133	C115-K117 PolarHBondContact O-N 2.86Å; C115-H133 PolarHBondContact SG-CE1 3.24Å; C115-H133 PolarHBondContact SG-ND1 2.96Å
116	L	87.6	Confident	88.5	Confident	50 Å²	50	58 Å²	58	26%	0.262	27%	0.274	S	S	.	.			trans	58.9	12	177.2	-52.6	-179.9	0	0	0	115.4	F111 C112 Q562	F111-L116 WeakPolarHBondContact CD1-O 3.41Å; C112-L116 WeakPolarHBondContact O-CA 3.47Å; C112-L116 PolarHBondContact O-N 2.62Å; L116-Q562 PolarHBondContact O-NE2 3.25Å
117	K	90.6	Very high	87.7	Confident	148 Å²	148	60.9 Å²	60.9	64%	0.643	29%	0.292	S	S	*	.	S	Bend	trans	-90	157.5	176.2	-64.5	174.2	-173.4	-178.8	0	112.1	F111 C112 C115 L119	F111-K117 WeakPolarHBondContact CA-O 3.36Å; C112-K117 PolarHBondContact N-O 2.67Å; C115-K117 PolarHBondContact O-N 2.86Å; K117-L119 PolarHBondContact O-N 3.33Å
118	F	91.2	Very high	87.1	Confident	57 Å²	57	54.6 Å²	54.6	25%	0.25	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-51.9	131.7	179.2	175.3	-113.8	0	0	0	112.5	L109 A110 F120 H133 T213	L109-F118 HydrophobicContact CD1-CD2 3.73Å; L109-F118 HydrophobicContact CD1-CE2 3.85Å; A110-F118 WeakPolarHBondContact O-CD2 3.33Å; F118-F120 HydrophobicContact CE1-CB 3.77Å; F118-F120 HydrophobicContact CZ-CB 4.08Å; F118-H133 PolarHBondContact O-CE1 2.76Å; F118-H133 PolarHBondContact O-NE2 2.98Å; F118-T213 HydrophobicContact CD1-CG2 3.9Å
119	L	90.9	Very high	87	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.			trans	-120	97.7	-173.7	179.7	66.5	0	0	0	110.2	F106 A110 C112 K117 H121 K131 H133	F106-L119 WeakPolarHBondContact CB-O 3.23Å; F106-L119 HydrophobicContact CD2-CD2 4.12Å; F106-L119 HydrophobicContact CD2-CG 3.97Å; F106-L119 HydrophobicContact CE2-CD2 3.59Å; F106-L119 HydrophobicContact CE2-CG 3.89Å; F106-L119 HydrophobicContact CZ-CD2 3.98Å; A110-L119 PolarHBondContact O-N 3.17Å; C112-L119 HydrophobicContact CB-CB 4.49Å; K117-L119 PolarHBondContact O-N 3.33Å; L119-H121 WeakPolarHBondContact CD1-O 3.44Å; L119-K131 HydrophobicContact CD2-CB 3.65Å; L119-H133 HydrophobicContact CD1-CB 4.31Å; L119-H133 WeakPolarHBondContact CD1-CD2 3.49Å
120	F	91.6	Very high	86.9	Confident	105 Å²	105	50.5 Å²	50.5	46%	0.461	25%	0.245	S	C	.	.	S	Bend	trans	-87.5	-42.2	175.2	-174.8	-136.1	0	0	0	112.5	T105 F106 F118	T105-F120 WeakPolarHBondContact CA-O 3.23Å; T105-F120 HydrophobicContact CG2-CE2 4.2Å; T105-F120 HydrophobicContact CG2-CZ 4.47Å; F106-F120 PolarHBondContact N-O 3.38Å; F106-F120 WeakPolarHBondContact O-CD2 3.42Å; F118-F120 HydrophobicContact CE1-CB 3.77Å; F118-F120 HydrophobicContact CZ-CB 4.08Å
121	H	91.8	Very high	86.9	Confident	104 Å²	104	51.3 Å²	51.3	48%	0.481	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.8	177.6	-76.5	66.5	0	0	0	109.4	T105 L119	T105-H121 WeakPolarHBondContact CG2-CE1 3.43Å; T105-H121 PolarHBondContact OG1-CD2 3.35Å; T105-H121 PolarHBondContact OG1-NE2 3.33Å; L119-H121 WeakPolarHBondContact CD1-O 3.44Å
122	G	92.9	Very high	87	Confident	10 Å²	10	50.1 Å²	50.1	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-143.1	176.5	0	0	0	0	0	111.7	R103 K104 F132	R103-G122 CarbonylContact C-O 3.6Å; R103-G122 WeakPolarHBondContact CA-O 3.37Å; K104-G122 PolarHBondContact N-O 2.86Å; K104-G122 PolarHBondContact O-N 2.89Å; K104-G122 VanDerWaalsContact O-N 3.13Å; G122-F132 WeakPolarHBondContact CA-O 3.46Å
123	F	92.3	Very high	87.2	Confident	39 Å²	39	51.2 Å²	51.2	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.1	-176.8	-63.3	-95.5	0	0	0	110.5	V102 R103 K131 F132 Q134	V102-F123 WeakPolarHBondContact O-CA 3.27Å; R103-F123 HydrophobicContact CG-CD1 3.87Å; R103-F123 HydrophobicContact CG-CE1 3.42Å; R103-F123 VanDerWaalsContact CG-CE1 3.42Å; R103-F123 HydrophobicContact CG-CZ 3.93Å; F123-K131 VanDerWaalsContact O-CA 3.29Å; F123-K131 WeakPolarHBondContact O-CA 3.3Å; F123-F132 HydrophobicContact CB-CD1 3.99Å; F123-F132 HydrophobicContact CB-CE1 3.42Å; F123-F132 VanDerWaalsContact CB-CE1 3.42Å; F123-F132 HydrophobicContact CB-CE2 4.08Å; F123-F132 HydrophobicContact CB-CZ 3.46Å; F123-F132 VanDerWaalsContact CB-CZ 3.46Å; F123-F132 HydrophobicContact CD2-CD2 4.46Å; F123-F132 AromaticContact CD2-CE2 3.8Å; F123-F132 HydrophobicContact CD2-CE2 3.8Å; F123-F132 AromaticContact CD2-CZ 3.92Å; F123-F132 HydrophobicContact CD2-CZ 3.92Å; F123-F132 HydrophobicContact CG-CE1 4.25Å; F123-F132 HydrophobicContact CG-CE2 4.15Å; F123-F132 AromaticContact CG-CZ 3.77Å; F123-F132 HydrophobicContact CG-CZ 3.77Å; F123-F132 PolarHBondContact N-O 3.25Å; F123-F132 PolarHBondContact O-N 2.97Å; F123-Q134 HydrophobicContact CE2-CB 3.92Å; F123-Q134 HydrophobicContact CE2-CG 4.03Å
124	R	88.3	Confident	87.4	Confident	90 Å²	90	56 Å²	56	34%	0.34	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.4	170.6	179.5	172.4	177.8	-97	4.9	110.3	V102 K104 F106 Y130 K131	V102-R124 PolarHBondContact N-O 3.49Å; V102-R124 PolarHBondContact O-N 3.22Å; K104-R124 HydrophobicContact CB-CB 4.41Å; K104-R124 HydrophobicContact CD-CB 4.42Å; F106-R124 HydrophobicContact CZ-CB 4.18Å; R124-Y130 CarbonylContact C-O 3.51Å; R124-Y130 VanDerWaalsContact CA-O 3.27Å; R124-Y130 WeakPolarHBondContact CA-O 3.5Å; R124-K131 HydrophobicContact CG-CG 4.32Å
125	C	83.5	Confident	87.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129	168.2	-173.4	0	0	0	0	109.7	H99 N100 F101 T127 G129 Y130	H99-C125 PolarHBondContact ND1-SG 2.55Å; N100-C125 CarbonylContact O-C 3.55Å; N100-C125 VanDerWaalsContact O-CA 3.26Å; N100-C125 WeakPolarHBondContact O-CA 3.17Å; F101-C125 HydrophobicContact CD1-CB 3.76Å; F101-C125 HydrophobicContact CE1-CB 3.67Å; C125-T127 VanDerWaalsContact C-N 3.32Å; C125-T127 PolarHBondContact SG-N 3.47Å; C125-G129 WeakPolarHBondContact O-CA 3.22Å; C125-G129 PolarHBondContact O-N 3.27Å; C125-G129 VanDerWaalsContact O-N 3.11Å; C125-Y130 PolarHBondContact N-O 3.13Å
126	Q	79.7	Confident	87.7	Confident	115 Å²	115	55.5 Å²	55.5	54%	0.537	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.7	175.6	-69.4	-173.4	-43.8	0	0	111.9	N100 V102	N100-Q126 PolarHBondContact ND2-OE1 3.12Å; N100-Q126 PolarHBondContact O-N 3.31Å; V102-Q126 HydrophobicContact CB-CG 4.44Å; V102-Q126 HydrophobicContact CG2-CG 3.83Å
127	T	71.1	Confident	87.7	Confident	69 Å²	69	56.4 Å²	56.4	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-69	-177.2	-40.9	0	0	0	0	112.8	C125	C125-T127 VanDerWaalsContact C-N 3.32Å; C125-T127 PolarHBondContact SG-N 3.47Å
128	C	72.6	Confident	87.5	Confident	33 Å²	33	53.6 Å²	53.6	22%	0.223	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.9	-176.8	69	0	0	0	0	114.3	H99 Y130	H99-C128 PolarHBondContact CE1-SG 2.78Å; H99-C128 PolarHBondContact ND1-SG 3.27Å; C128-Y130 VanDerWaalsContact C-N 3.3Å; C128-Y130 PolarHBondContact O-N 2.79Å
129	G	80.5	Confident	87.1	Confident	14 Å²	14	56.9 Å²	56.9	14%	0.144	29%	0.289	C	S	.	.			trans	77.3	0.8	179.1	0	0	0	0	0	116.3	C125 K131	C125-G129 WeakPolarHBondContact O-CA 3.22Å; C125-G129 PolarHBondContact O-N 3.27Å; C125-G129 VanDerWaalsContact O-N 3.11Å; G129-K131 WeakPolarHBondContact O-CG 3.2Å; G129-K131 PolarHBondContact O-N 2.98Å
130	Y	83.8	Confident	86.6	Confident	25 Å²	25	57.9 Å²	57.9	10%	0.098	30%	0.295	C	S	.	.			trans	-55.7	128.3	-176.5	-165.6	-81.4	0	0	0	112.9	D113 R124 C125 C128 F132 V140	D113-Y130 HydrophobicContact CB-CD1 4.31Å; D113-Y130 HydrophobicContact CB-CD2 4.07Å; D113-Y130 HydrophobicContact CB-CE1 3.96Å; D113-Y130 HydrophobicContact CB-CE2 3.72Å; D113-Y130 HydrophobicContact CB-CG 4.35Å; D113-Y130 WeakPolarHBondContact OD2-CA 3.3Å; R124-Y130 CarbonylContact C-O 3.51Å; R124-Y130 VanDerWaalsContact CA-O 3.27Å; R124-Y130 WeakPolarHBondContact CA-O 3.5Å; C125-Y130 PolarHBondContact N-O 3.13Å; C128-Y130 VanDerWaalsContact C-N 3.3Å; C128-Y130 PolarHBondContact O-N 2.79Å; Y130-F132 HydrophobicContact CD1-CD1 4.06Å; Y130-F132 HydrophobicContact CE1-CB 4.22Å; Y130-F132 HydrophobicContact CE1-CD1 4.28Å; Y130-V140 HydrophobicContact CD1-CG1 3.84Å; Y130-V140 HydrophobicContact CE1-CB 4.35Å; Y130-V140 HydrophobicContact CE1-CG1 3.7Å; Y130-V140 HydrophobicContact CE1-CG2 4.13Å
131	K	90.3	Very high	85.9	Confident	21 Å²	21	55.6 Å²	55.6	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.7	-170	-45.7	176.1	-58.1	-56	0	111.2	F106 F111 D113 L119 F123 R124 G129	F106-K131 HydrophobicContact CE1-CD 3.76Å; F106-K131 HydrophobicContact CE1-CG 4.29Å; F106-K131 HydrophobicContact CZ-CB 4.2Å; F106-K131 HydrophobicContact CZ-CD 4.06Å; F106-K131 HydrophobicContact CZ-CG 4.14Å; F111-K131 VanDerWaalsContact O-CE 3.23Å; F111-K131 WeakPolarHBondContact O-CE 3.47Å; D113-K131 VanDerWaalsContact CB-O 3.27Å; D113-K131 WeakPolarHBondContact CB-O 3.46Å; D113-K131 PolarHBondContact N-O 3.43Å; D113-K131 IonicContact OD1-NZ 3.78Å; D113-K131 PolarHBondContact OD1-NZ 3.17Å; D113-K131 PolarHBondContact OD2-N 2.88Å; D113-K131 IonicContact OD2-NZ 2.71Å; D113-K131 PolarHBondContact OD2-NZ 3.4Å; L119-K131 HydrophobicContact CD2-CB 3.65Å; F123-K131 VanDerWaalsContact O-CA 3.29Å; F123-K131 WeakPolarHBondContact O-CA 3.3Å; R124-K131 HydrophobicContact CG-CG 4.32Å; G129-K131 WeakPolarHBondContact O-CG 3.2Å; G129-K131 PolarHBondContact O-N 2.98Å
132	F	93	Very high	84.7	Confident	9 Å²	9	54 Å²	54	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.9	179.2	65.5	-78.2	0	0	0	114.2	F101 G122 F123 Y130 C136 V140	F101-F132 AromaticContact CD1-CE1 3.65Å; F101-F132 HydrophobicContact CD1-CE1 3.65Å; F101-F132 HydrophobicContact CD1-CZ 4.41Å; F101-F132 HydrophobicContact CD2-CE1 4.4Å; F101-F132 HydrophobicContact CD2-CZ 4.47Å; F101-F132 HydrophobicContact CE1-CD1 4.26Å; F101-F132 AromaticContact CE1-CE1 3.52Å; F101-F132 HydrophobicContact CE1-CE1 3.52Å; F101-F132 HydrophobicContact CE1-CZ 4.44Å; F101-F132 HydrophobicContact CE2-CE1 4.26Å; F101-F132 HydrophobicContact CE2-CZ 4.48Å; F101-F132 HydrophobicContact CG-CE1 4.11Å; F101-F132 HydrophobicContact CG-CZ 4.44Å; F101-F132 AromaticContact CZ-CE1 3.85Å; F101-F132 HydrophobicContact CZ-CE1 3.85Å; F101-F132 HydrophobicContact CZ-CZ 4.48Å; G122-F132 WeakPolarHBondContact CA-O 3.46Å; F123-F132 HydrophobicContact CB-CD1 3.99Å; F123-F132 HydrophobicContact CB-CE1 3.42Å; F123-F132 VanDerWaalsContact CB-CE1 3.42Å; F123-F132 HydrophobicContact CB-CE2 4.08Å; F123-F132 HydrophobicContact CB-CZ 3.46Å; F123-F132 VanDerWaalsContact CB-CZ 3.46Å; F123-F132 HydrophobicContact CD2-CD2 4.46Å; F123-F132 AromaticContact CD2-CE2 3.8Å; F123-F132 HydrophobicContact CD2-CE2 3.8Å; F123-F132 AromaticContact CD2-CZ 3.92Å; F123-F132 HydrophobicContact CD2-CZ 3.92Å; F123-F132 HydrophobicContact CG-CE1 4.25Å; F123-F132 HydrophobicContact CG-CE2 4.15Å; F123-F132 AromaticContact CG-CZ 3.77Å; F123-F132 HydrophobicContact CG-CZ 3.77Å; F123-F132 PolarHBondContact N-O 3.25Å; F123-F132 PolarHBondContact O-N 2.97Å; Y130-F132 HydrophobicContact CD1-CD1 4.06Å; Y130-F132 HydrophobicContact CE1-CB 4.22Å; Y130-F132 HydrophobicContact CE1-CD1 4.28Å; F132-C136 HydrophobicContact CB-CB 4.26Å; F132-V140 HydrophobicContact CB-CG2 4.06Å; F132-V140 HydrophobicContact CD1-CG1 4.31Å; F132-V140 HydrophobicContact CD1-CG2 3.66Å; F132-V140 HydrophobicContact CD2-CG2 3.42Å; F132-V140 VanDerWaalsContact CD2-CG2 3.42Å; F132-V140 HydrophobicContact CE1-CG1 4.25Å; F132-V140 HydrophobicContact CE1-CG2 3.88Å; F132-V140 HydrophobicContact CE2-CG2 3.71Å; F132-V140 HydrophobicContact CG-CG2 3.43Å; F132-V140 VanDerWaalsContact CG-CG2 3.43Å; F132-V140 HydrophobicContact CZ-CG2 3.92Å
133	H	94	Very high	83.4	Confident	23 Å²	23	54.5 Å²	54.5	11%	0.106	29%	0.289	C	S	.	.			trans	-68.4	150.4	169.4	-60.3	104.9	0	0	0	110.8	C112 C115 F118 L119 H135 C136	C112-H133 WeakPolarHBondContact CB-CE1 3.43Å; C112-H133 WeakPolarHBondContact CB-ND1 3.2Å; C112-H133 PolarHBondContact SG-ND1 2.87Å; C115-H133 PolarHBondContact SG-CE1 3.24Å; C115-H133 PolarHBondContact SG-ND1 2.96Å; F118-H133 PolarHBondContact O-CE1 2.76Å; F118-H133 PolarHBondContact O-NE2 2.98Å; L119-H133 HydrophobicContact CD1-CB 4.31Å; L119-H133 WeakPolarHBondContact CD1-CD2 3.49Å; H133-H135 WeakPolarHBondContact CB-CE1 3.46Å; H133-H135 AromaticContact CG-CE1 3.54Å; H133-H135 AromaticContact CG-NE2 3.69Å; H133-H135 AromaticContact ND1-CE1 3.58Å; H133-H135 PolarHBondContact O-N 2.9Å; H133-H135 VanDerWaalsContact O-N 3.13Å; H133-C136 HydrophobicContact CB-CB 4.34Å; H133-C136 WeakPolarHBondContact O-CA 3.47Å; H133-C136 WeakPolarHBondContact O-CB 3.47Å; H133-C136 PolarHBondContact O-N 2.9Å
134	Q	92.2	Very high	82.3	Confident	132 Å²	132	52.6 Å²	52.6	62%	0.617	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-53.1	-37.7	175	-175.7	170.3	-9.1	0	0	113.6	F123 C136 S137	F123-Q134 HydrophobicContact CE2-CB 3.92Å; F123-Q134 HydrophobicContact CE2-CG 4.03Å; Q134-C136 VanDerWaalsContact C-N 3.25Å; Q134-C136 PolarHBondContact O-N 3.25Å; Q134-S137 WeakPolarHBondContact O-CB 3.43Å; Q134-S137 PolarHBondContact O-N 3.23Å; Q134-S137 PolarHBondContact O-OG 2.96Å; Q134-S137 VanDerWaalsContact O-OG 3.14Å
135	H	92.1	Very high	81	Confident	115 Å²	115	50.4 Å²	50.4	53%	0.532	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-75.5	-6.6	176.8	64.1	52.4	0	0	0	114.6	H133	H133-H135 WeakPolarHBondContact CB-CE1 3.46Å; H133-H135 AromaticContact CG-CE1 3.54Å; H133-H135 AromaticContact CG-NE2 3.69Å; H133-H135 AromaticContact ND1-CE1 3.58Å; H133-H135 PolarHBondContact O-N 2.9Å; H133-H135 VanDerWaalsContact O-N 3.13Å
136	C	91.3	Very high	79.4	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.047	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.4	1.7	175.1	-70.1	0	0	0	0	112.6	F114 F132 H133 Q134 S138 K139 V140	F114-C136 HydrophobicContact CD1-CB 4.11Å; F132-C136 HydrophobicContact CB-CB 4.26Å; H133-C136 HydrophobicContact CB-CB 4.34Å; H133-C136 WeakPolarHBondContact O-CA 3.47Å; H133-C136 WeakPolarHBondContact O-CB 3.47Å; H133-C136 PolarHBondContact O-N 2.9Å; Q134-C136 VanDerWaalsContact C-N 3.25Å; Q134-C136 PolarHBondContact O-N 3.25Å; C136-S138 VanDerWaalsContact C-N 3.29Å; C136-S138 PolarHBondContact O-N 3.07Å; C136-K139 PolarHBondContact O-N 2.77Å; C136-V140 WeakPolarHBondContact O-CG2 3.35Å
137	S	88.8	Confident	78	Confident	68 Å²	68	50.3 Å²	50.3	48%	0.476	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-52.3	-42.6	-176.9	55.9	0	0	0	0	113.7	Q134 K139 V140	Q134-S137 WeakPolarHBondContact O-CB 3.43Å; Q134-S137 PolarHBondContact O-N 3.23Å; Q134-S137 PolarHBondContact O-OG 2.96Å; Q134-S137 VanDerWaalsContact O-OG 3.14Å; S137-K139 PolarHBondContact O-N 3.49Å; S137-V140 WeakPolarHBondContact O-CG2 3.38Å; S137-V140 PolarHBondContact O-N 3.11Å
138	S	85	Confident	76.6	Confident	89 Å²	89	49.2 Å²	49.2	62%	0.622	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-68.8	1.2	179.4	59.6	0	0	0	0	115.1	C136	C136-S138 VanDerWaalsContact C-N 3.29Å; C136-S138 PolarHBondContact O-N 3.07Å
139	K	84.2	Confident	75.2	Confident	127 Å²	127	51 Å²	51	55%	0.552	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-123.3	2.5	-179.7	-58.4	-65.8	-177.5	-173.3	0	113	F114 C136 S137	F114-K139 HydrophobicContact CD1-CB 3.69Å; F114-K139 HydrophobicContact CD1-CG 4.09Å; F114-K139 HydrophobicContact CD2-CB 3.63Å; F114-K139 HydrophobicContact CD2-CG 4.5Å; F114-K139 HydrophobicContact CE1-CB 3.65Å; F114-K139 HydrophobicContact CE1-CD 4.43Å; F114-K139 HydrophobicContact CE1-CG 3.57Å; F114-K139 HydrophobicContact CE2-CB 3.59Å; F114-K139 HydrophobicContact CE2-CD 4.32Å; F114-K139 HydrophobicContact CE2-CG 4.03Å; F114-K139 HydrophobicContact CG-CB 3.69Å; F114-K139 HydrophobicContact CZ-CB 3.6Å; F114-K139 HydrophobicContact CZ-CD 3.94Å; F114-K139 HydrophobicContact CZ-CG 3.54Å; C136-K139 PolarHBondContact O-N 2.77Å; S137-K139 PolarHBondContact O-N 3.49Å
140	V	79	Confident	73.3	Confident	20 Å²	20	52 Å²	52	12%	0.121	29%	0.286	C	S	.	.	S	Bend	trans	-78.6	138	175.9	-173	0	0	0	0	108.8	F101 Y130 F132 C136 S137	F101-V140 HydrophobicContact CE1-CG1 4.24Å; F101-V140 HydrophobicContact CE2-CG1 4.2Å; F101-V140 HydrophobicContact CZ-CG1 3.47Å; F101-V140 VanDerWaalsContact CZ-CG1 3.47Å; Y130-V140 HydrophobicContact CD1-CG1 3.84Å; Y130-V140 HydrophobicContact CE1-CB 4.35Å; Y130-V140 HydrophobicContact CE1-CG1 3.7Å; Y130-V140 HydrophobicContact CE1-CG2 4.13Å; F132-V140 HydrophobicContact CB-CG2 4.06Å; F132-V140 HydrophobicContact CD1-CG1 4.31Å; F132-V140 HydrophobicContact CD1-CG2 3.66Å; F132-V140 HydrophobicContact CD2-CG2 3.42Å; F132-V140 VanDerWaalsContact CD2-CG2 3.42Å; F132-V140 HydrophobicContact CE1-CG1 4.25Å; F132-V140 HydrophobicContact CE1-CG2 3.88Å; F132-V140 HydrophobicContact CE2-CG2 3.71Å; F132-V140 HydrophobicContact CG-CG2 3.43Å; F132-V140 VanDerWaalsContact CG-CG2 3.43Å; F132-V140 HydrophobicContact CZ-CG2 3.92Å; C136-V140 WeakPolarHBondContact O-CG2 3.35Å; S137-V140 WeakPolarHBondContact O-CG2 3.38Å; S137-V140 PolarHBondContact O-N 3.11Å
141	P	76.6	Confident	71.2	Confident	58 Å²	58	56.5 Å²	56.5	38%	0.377	30%	0.303	S	S	.	.			trans	-53.1	141.6	169.4	-25.6	35.3	0	0	0	111.2	H99	H99-P141 PolarHBondContact CD2-O 3.01Å; H99-P141 PolarHBondContact NE2-O 3.09Å
142	T	67.5	Low	68.7	Low	71 Å²	71	61.9 Å²	61.9	44%	0.436	33%	0.328	S	S	.	.	S	Bend	trans	-75.9	-36.6	175.6	61.6	0	0	0	0	110.8	R52 G53	R52-T142 PolarHBondContact O-OG1 2.77Å; G53-T142 WeakPolarHBondContact CA-OG1 3.31Å; G53-T142 PolarHBondContact O-OG1 3.02Å
143	V	65.7	Low	65.9	Low	19 Å²	19	65.9 Å²	65.9	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.3	-179.2	-176.6	0	0	0	0	110.4	L54 L96 H99 V145	L54-V143 HydrophobicContact CD2-CG2 4.45Å; L96-V143 HydrophobicContact CB-CG1 4.49Å; L96-V143 HydrophobicContact CD2-CB 4.35Å; L96-V143 HydrophobicContact CD2-CG1 3.47Å; L96-V143 VanDerWaalsContact CD2-CG1 3.47Å; L96-V143 HydrophobicContact CD2-CG2 3.89Å; H99-V143 PolarHBondContact NE2-O 3.18Å; V143-V145 HydrophobicContact CB-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG2 3.62Å; V143-V145 PolarHBondContact O-N 3.42Å
144	C	69.3	Low	63.1	Low	0 Å²	0	70 Å²	70	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	77.5	166.4	-175.7	0	0	0	0	109.5	T97 H99 D146	T97-C144 WeakPolarHBondContact O-CA 3.17Å; T97-C144 WeakPolarHBondContact O-CB 3.36Å; T97-C144 PolarHBondContact O-N 3.5Å; T97-C144 WeakPolarHBondContact OG1-CB 3.29Å; T97-C144 PolarHBondContact OG1-O 3.29Å; H99-C144 HydrophobicContact CB-CB 4.23Å; H99-C144 WeakPolarHBondContact ND1-CB 3.5Å; C144-D146 PolarHBondContact O-N 3.35Å; C144-D146 VanDerWaalsContact O-N 3.16Å
145	V	59.6	Low	60.4	Low	43 Å²	43	67.7 Å²	67.7	26%	0.261	35%	0.351	S	S	.	.			trans	-67.8	112.4	174.3	-171.7	0	0	0	0	108.6	V143 M147	V143-V145 HydrophobicContact CB-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG2 3.62Å; V143-V145 PolarHBondContact O-N 3.42Å; V145-M147 HydrophobicContact CG1-CE 3.58Å; V145-M147 PolarHBondContact O-N 2.98Å; V145-M147 VanDerWaalsContact O-N 3.13Å
146	D	51.6	Low	57.7	Low	36 Å²	36	68.2 Å²	68.2	19%	0.193	35%	0.353	C	S	.	.			trans	-74.6	99.1	166	-155.5	-2.5	0	0	0	107.9	C144 S148 T149 K540	C144-D146 PolarHBondContact O-N 3.35Å; C144-D146 VanDerWaalsContact O-N 3.16Å; D146-S148 PolarHBondContact O-N 3.14Å; D146-S148 PolarHBondContact O-OG 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.25Å; D146-T149 PolarHBondContact O-N 3.3Å; D146-K540 VanDerWaalsContact CG-NZ 3.29Å; D146-K540 WeakPolarHBondContact OD1-CD 3.49Å; D146-K540 IonicContact OD1-NZ 2.67Å; D146-K540 PolarHBondContact OD1-NZ 3.23Å; D146-K540 IonicContact OD2-NZ 2.63Å; D146-K540 PolarHBondContact OD2-NZ 3.04Å
147	M	48.9	Very low	54.9	Low	78 Å²	78	71.7 Å²	71.7	38%	0.384	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	0.4	-177.4	-89.7	-78.6	109.6	0	0	114.2	V145 T149 R543	V145-M147 HydrophobicContact CG1-CE 3.58Å; V145-M147 PolarHBondContact O-N 2.98Å; V145-M147 VanDerWaalsContact O-N 3.13Å; M147-T149 VanDerWaalsContact C-N 3.28Å; M147-T149 PolarHBondContact O-N 2.86Å; M147-R543 WeakPolarHBondContact O-CD 3.32Å
148	S	42.4	Very low	52.5	Low	46 Å²	46	73.5 Å²	73.5	32%	0.322	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.7	170.1	47.7	0	0	0	0	114.3	D146	D146-S148 PolarHBondContact O-N 3.14Å; D146-S148 PolarHBondContact O-OG 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.25Å
149	T	44.2	Very low	50.2	Low	69 Å²	69	74.9 Å²	74.9	42%	0.423	38%	0.382	S	S	.	.	S	Bend	trans	-121.2	-16.7	-154.5	-27	0	0	0	0	115.7	D146 M147	D146-T149 PolarHBondContact O-N 3.3Å; M147-T149 VanDerWaalsContact C-N 3.28Å; M147-T149 PolarHBondContact O-N 2.86Å
150	N	39.2	Very low	47.9	Very low	36 Å²	36	75.5 Å²	75.5	19%	0.193	39%	0.392	C	S	.	.			trans	-118.8	65.8	-156.3	-120.1	-66.8	0	0	0	117.1	D93 V94	D93-N150 PolarHBondContact O-ND2 2.86Å; V94-N150 VanDerWaalsContact CA-ND2 3.32Å; V94-N150 WeakPolarHBondContact CA-ND2 3.37Å; V94-N150 WeakPolarHBondContact CG2-OD1 3.45Å
151	R	39.2	Very low	45.9	Very low	119 Å²	119	81.8 Å²	81.8	45%	0.449	42%	0.424	S	S	.	.			trans	-142.2	9	167.2	-125.1	-177.7	176.2	-132.5	-12	115.6	Q153 S528 P529	R151-Q153 PolarHBondContact O-N 3.11Å; R151-S528 PolarHBondContact NH1-OG 3.29Å; R151-S528 PolarHBondContact NH2-OG 2.68Å; R151-P529 PolarHBondContact NH1-O 3.11Å
152	Q	38.9	Very low	43.9	Very low	134 Å²	134	84 Å²	84	63%	0.626	44%	0.441	S	S	*	.	S	Bend	trans	-73.7	-11.3	-164.6	-77.5	-179.4	-38.3	0	0	116.5
153	Q	35.1	Very low	42	Very low	94 Å²	94	84.5 Å²	84.5	44%	0.439	46%	0.46	S	S	.	.	S	Bend	trans	-120.9	-17.2	-165.3	-73.9	167.4	2	0	0	116.9	D93 R151 Y155	D93-Q153 PolarHBondContact OD2-NE2 3.43Å; R151-Q153 PolarHBondContact O-N 3.11Å; Q153-Y155 VanDerWaalsContact C-N 3.25Å; Q153-Y155 PolarHBondContact O-N 3.42Å; Q153-Y155 VanDerWaalsContact O-N 3.16Å
154	F	34.2	Very low	40.4	Very low	109 Å²	109	87 Å²	87	48%	0.478	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.5	-173.2	-107	-79.7	0	0	0	115.8	W74 L91	W74-F154 AromaticContact NE1-CZ 3.94Å; L91-F154 HydrophobicContact CD1-CE2 4.24Å
155	Y	36	Very low	38.5	Very low	83 Å²	83	92.4 Å²	92.4	33%	0.325	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-21.8	-177.6	-106.1	-84.6	0	0	0	115.4	Q153 M521 Y526 L527	Q153-Y155 VanDerWaalsContact C-N 3.25Å; Q153-Y155 PolarHBondContact O-N 3.42Å; Q153-Y155 VanDerWaalsContact O-N 3.16Å; Y155-M521 HydrophobicContact CE1-CE 4.06Å; Y155-Y526 PolarHBondContact OH-O 2.59Å; Y155-L527 HydrophobicContact CE1-CD1 4.46Å; Y155-L527 VanDerWaalsContact OH-CA 3.28Å; Y155-L527 WeakPolarHBondContact OH-CA 2.98Å; Y155-L527 VanDerWaalsContact OH-CD1 3.31Å; Y155-L527 WeakPolarHBondContact OH-CD1 3.12Å
156	H	34.1	Very low	37.2	Very low	126 Å²	126	101 Å²	101	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-75.1	-37.4	-179.2	-80.7	-73.6	0	0	0	112.7	V158 Q159	H156-V158 PolarHBondContact O-N 3.2Å; H156-V158 VanDerWaalsContact O-N 3.13Å; H156-Q159 PolarHBondContact O-N 3.15Å
157	S	34	Very low	36.2	Very low	80 Å²	80	107.1 Å²	107.1	56%	0.559	58%	0.583	S	S	*	*	H	α-helix	trans	-64.3	-20.5	-175.3	-162.8	0	0	0	0	115
158	V	38.7	Very low	35.4	Very low	106 Å²	106	111 Å²	111	64%	0.642	60%	0.599	S	S	*	*	H	α-helix	trans	-91.8	-21	-179.7	-173.2	0	0	0	0	112.3	H156	H156-V158 PolarHBondContact O-N 3.2Å; H156-V158 VanDerWaalsContact O-N 3.13Å
159	Q	36.1	Very low	34.8	Very low	118 Å²	118	117.2 Å²	117.2	55%	0.551	62%	0.623	S	S	*	*	H	α-helix	trans	-82.5	-32.8	-178.6	-70	-176.4	-17.2	0	0	112.5	H156 L161 S162	H156-Q159 PolarHBondContact O-N 3.15Å; Q159-L161 PolarHBondContact O-N 3.12Å; Q159-S162 PolarHBondContact O-N 3.19Å
160	D	35.6	Very low	34.1	Very low	140 Å²	140	118.2 Å²	118.2	75%	0.749	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-4.5	-178.6	-69.9	-28.9	0	0	0	114.8
161	L	36.2	Very low	33.9	Very low	153 Å²	153	122.5 Å²	122.5	80%	0.801	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-0.8	176.4	-78.7	162.7	0	0	0	114.4	Q159	Q159-L161 PolarHBondContact O-N 3.12Å
162	S	35.9	Very low	33.6	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	69%	0.685	S	S	*	*	S	Bend	trans	-105.9	4.8	-178.9	-57.8	0	0	0	0	114.6	Q159 G164	Q159-S162 PolarHBondContact O-N 3.19Å; S162-G164 PolarHBondContact O-N 3.11Å
163	G	27.8	Very low	33.2	Very low	80 Å²	80	122.9 Å²	122.9	83%	0.825	69%	0.693	S	S	*	*			trans	-95.9	69	-178.7	0	0	0	0	0	114.1
164	G	31	Very low	32.9	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	72%	0.715	S	S	*	*			trans	-147.3	100.6	-176.7	0	0	0	0	0	114.7	S162	S162-G164 PolarHBondContact O-N 3.11Å
165	S	30.8	Very low	32.6	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	73%	0.73	S	S	*	*			trans	-57.5	128.7	-176.6	-52.8	0	0	0	0	116.2
166	R	31.5	Very low	32.4	Very low	224 Å²	224	134 Å²	134	85%	0.845	75%	0.753	S	S	*	*				163.2	120.6	113.9	-89.5	174	178.3	-176.1	-0.8	115
167	Q	30.8	Very low	32	Very low	164 Å²	164	135.2 Å²	135.2	77%	0.766	76%	0.764	S	S	*	*				46.4	129.8	129.7	-74.6	177.3	-23	0	0	123.2
168	H	31.4	Very low	31.8	Very low	160 Å²	160	139.6 Å²	139.6	74%	0.741	78%	0.776	S	S	*	*			trans	63.3	139.7	160.2	-73.5	-111.9	0	0	0	116.1
169	E	30.4	Very low	31.2	Very low	175 Å²	175	142.1 Å²	142.1	82%	0.818	79%	0.785	S	S	*	*			cis	-151.2	173.5	9.5	-117.1	157.9	177.6	0	0	110.4
170	A	28.6	Very low	30.9	Very low	91 Å²	91	144.2 Å²	144.2	75%	0.752	80%	0.799	S	S	*	*			trans	-134.2	-176.8	178	0	0	0	0	0	109.7
171	P	35.9	Very low	30.3	Very low	125 Å²	125	144 Å²	144	81%	0.812	80%	0.803	S	S	*	*			cis	-129.3	173.1	-33.4	32.1	-15	0	0	0	112.5
172	S	32.3	Very low	30	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	80%	0.803	S	S	*	*			trans	-160.8	134.2	150	-165.1	0	0	0	0	116
173	N	30.4	Very low	29.6	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	81%	0.811	S	S	*	*			trans	-43.3	141.8	174.5	-56.6	-60.1	0	0	0	118.2
174	R	30.1	Very low	29.5	Very low	241 Å²	241	146.6 Å²	146.6	91%	0.909	81%	0.809	S	S	*	*				-179	139.9	104.4	-98.4	177.1	179.8	-164.9	0	112.3
175	P	26.9	Very low	29.5	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	81%	0.814	S	S	*	*			trans	-90	147	169.9	35.4	-31.6	0	0	0	111.4
176	L	32	Very low	29.4	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	81%	0.814	S	S	*	*			trans	-132.6	115.3	161.9	-142.5	85.7	0	0	0	109.7
177	N	26.5	Very low	29.3	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	81%	0.813	S	S	*	*			trans	-73.4	136.2	158.4	-86.4	-16.6	0	0	0	107.8
178	E	29.9	Very low	29.1	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	82%	0.82	S	S	*	*			trans	-149.3	132.1	144.1	-123.4	174.4	148.8	0	0	111.3
179	L	24.7	Very low	28.8	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	82%	0.824	S	S	*	*			trans	-84.9	123.8	178	-73.4	83.1	0	0	0	109.2
180	L	30.1	Very low	28.7	Very low	162 Å²	162	147.7 Å²	147.7	85%	0.848	83%	0.826	S	S	*	*			trans	-132.9	107.2	162.1	-74.3	175.2	0	0	0	111.2	P182	L180-P182 WeakPolarHBondContact O-CD 3.36Å
181	T	23.8	Very low	28.6	Very low	136 Å²	136	152.1 Å²	152.1	83%	0.834	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.5	167.6	41.7	0	0	0	0	112.1
182	P	29.1	Very low	28.2	Very low	125 Å²	125	151.5 Å²	151.5	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-92.2	129.6	162	-7.2	27	0	0	0	111.2	L180	L180-P182 WeakPolarHBondContact O-CD 3.36Å
183	Q	28.5	Very low	27.9	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70	143.8	169.8	-64.3	177.9	-9.4	0	0	110.6
184	G	24.2	Very low	28.2	Very low	76 Å²	76	150.7 Å²	150.7	78%	0.784	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.1	144.2	178.7	0	0	0	0	0	113.4
185	P	32.9	Very low	28.4	Very low	129 Å²	129	148.2 Å²	148.2	84%	0.838	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.2	137.3	170.5	31.2	-23.8	0	0	0	113
186	S	27.1	Very low	28.6	Very low	113 Å²	113	150.9 Å²	150.9	79%	0.79	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-61	152	175.4	-61.9	0	0	0	0	113.7	R188	S186-R188 PolarHBondContact O-N 3.2Å
187	P	29.3	Very low	28.7	Very low	127 Å²	127	152.7 Å²	152.7	83%	0.825	82%	0.823	S	S	*	*			trans	-74.6	115.3	179.3	30.3	-33.8	0	0	0	111.5
188	R	27.5	Very low	29	Very low	242 Å²	242	151.1 Å²	151.1	91%	0.913	82%	0.821	S	S	*	*			trans	-89.1	112.8	159.6	-91.5	-174.5	169.3	176.9	-2.3	109.7	S186	S186-R188 PolarHBondContact O-N 3.2Å
189	T	24.9	Very low	29.3	Very low	137 Å²	137	151.8 Å²	151.8	84%	0.84	82%	0.821	S	S	*	*			trans	-66	125.2	168.4	32.7	0	0	0	0	110.6
190	Q	29.2	Very low	29.7	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	82%	0.822	S	S	*	*			trans	-128.2	125.8	161.5	-77.8	-172.4	-22.4	0	0	109.4
191	H	25.6	Very low	29.9	Very low	183 Å²	183	146.9 Å²	146.9	85%	0.847	82%	0.816	S	S	*	*			trans	-63	144	170.4	-92.2	-115.1	0	0	0	110.4
192	C	26.9	Very low	30.4	Very low	113 Å²	113	146.3 Å²	146.3	76%	0.764	82%	0.815	S	S	*	*			trans	-154.3	120.9	162.6	-160.7	0	0	0	0	108.6
193	D	26.9	Very low	30.5	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	81%	0.81	S	S	*	*			trans	-72.6	147.5	-170.3	-57.4	-77.7	0	0	0	113.3
194	P	37.2	Very low	30.5	Very low	101 Å²	101	143.4 Å²	143.4	66%	0.656	81%	0.811	S	S	*	*			trans	-102.6	115	171.3	34.1	-25.8	0	0	0	112.3
195	E	32.6	Very low	30.9	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-47.3	141.4	168.9	-73.6	-80.2	105.7	0	0	112.7
196	H	32.8	Very low	30.9	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.815	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.8	134.8	-172.2	-102.7	29.6	0	0	0	113.8
197	F	33.5	Very low	31.2	Very low	195 Å²	195	146.8 Å²	146.8	86%	0.855	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.4	120.1	151.9	-87.8	-87.3	0	0	0	109.2	F199	F197-F199 PolarHBondContact O-N 3.02Å
198	P	32.1	Very low	31.7	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	81%	0.813	S	S	*	*			trans	-80	114.2	-178.8	30.7	-32.7	0	0	0	111.3
199	F	37.4	Very low	32.6	Very low	186 Å²	186	149.1 Å²	149.1	82%	0.816	81%	0.813	S	S	*	*			trans	-90.8	138.7	153.4	-83.4	-85.7	0	0	0	108.6	F197 A201	F197-F199 PolarHBondContact O-N 3.02Å; F199-A201 PolarHBondContact O-N 3Å
200	P	33.1	Very low	34	Very low	131 Å²	131	148.9 Å²	148.9	85%	0.851	81%	0.805	S	S	*	*			trans	-66.6	111.5	177.5	27.2	-33.2	0	0	0	109.9
201	A	33.3	Very low	35.1	Very low	88 Å²	88	151.5 Å²	151.5	73%	0.727	81%	0.807	S	S	*	*			trans	-105.3	131	169.8	0	0	0	0	0	108.8	F199	F199-A201 PolarHBondContact O-N 3Å
202	P	35.1	Very low	37.1	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	81%	0.805	S	S	*	*			trans	-64.5	141.8	169.8	28.9	-33.3	0	0	0	109.3
203	A	29.6	Very low	38.9	Very low	87 Å²	87	148 Å²	148	72%	0.719	80%	0.8	S	S	*	*	S	Bend	trans	-61.7	153.5	-177.6	0	0	0	0	0	112.4
204	N	29.6	Very low	41	Very low	168 Å²	168	146 Å²	146	90%	0.898	80%	0.797	S	S	*	*			trans	72.7	89.2	173.7	-55.1	-22.2	0	0	0	117
205	A	32.1	Very low	42.5	Very low	93 Å²	93	147.1 Å²	147.1	77%	0.769	80%	0.803	S	S	*	*			trans	-141.8	130.6	150.6	0	0	0	0	0	109.9
206	P	32.8	Very low	44.4	Very low	114 Å²	114	141.8 Å²	141.8	74%	0.74	78%	0.784	S	S	*	*			trans	-71.2	154.5	-178	30.2	-35.3	0	0	0	111.6	Q208	P206-Q208 PolarHBondContact O-N 2.73Å
207	L	33.3	Very low	46.3	Very low	182 Å²	182	140.2 Å²	140.2	95%	0.953	78%	0.782	S	S	*	*			trans	-57.4	92.2	178.6	-68.7	171.3	0	0	0	111.7	R209	L207-R209 PolarHBondContact O-N 3.02Å
208	Q	39.4	Very low	47.8	Very low	179 Å²	179	137 Å²	137	84%	0.836	78%	0.778	S	S	*	*			trans	-68.4	101	173.8	-74.1	-167.1	-7.9	0	0	109.6	P206 I210	P206-Q208 PolarHBondContact O-N 2.73Å; Q208-I210 PolarHBondContact O-N 3.17Å; Q208-I210 VanDerWaalsContact O-N 3.08Å
209	R	47.8	Very low	49	Very low	240 Å²	240	138.1 Å²	138.1	91%	0.906	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-48.1	116.3	165.6	-179.5	-178.3	-77.5	161.8	-6.3	108.3	L207 R211	L207-R209 PolarHBondContact O-N 3.02Å; R209-R211 PolarHBondContact O-N 3.47Å
210	I	52.9	Low	48.9	Very low	132 Å²	132	137 Å²	137	68%	0.677	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-52.8	126.6	-172.3	-61.8	168.6	0	0	0	109.8	Q208 S212	Q208-I210 PolarHBondContact O-N 3.17Å; Q208-I210 VanDerWaalsContact O-N 3.08Å; I210-S212 PolarHBondContact O-N 2.93Å
211	R	53.7	Low	49.1	Very low	238 Å²	238	135.9 Å²	135.9	90%	0.898	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.6	169.8	-87.7	-173.8	176.2	171.4	0.3	109.3	R209	R209-R211 PolarHBondContact O-N 3.47Å
212	S	65.9	Low	48.9	Very low	115 Å²	115	136 Å²	136	80%	0.804	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-53.5	145	161.7	-55.3	0	0	0	0	110.2	I210 S214	I210-S212 PolarHBondContact O-N 2.93Å; S212-S214 PolarHBondContact O-N 3.34Å
213	T	65.1	Low	48.8	Very low	107 Å²	107	136.4 Å²	136.4	66%	0.656	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64.5	122	-179.4	49.9	0	0	0	0	111.2	F118	F118-T213 HydrophobicContact CD1-CG2 3.9Å
214	S	71.7	Confident	48.9	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-78.4	172.3	167.1	56.4	0	0	0	0	111.5	S212	S212-S214 PolarHBondContact O-N 3.34Å
215	T	69	Low	49	Very low	126 Å²	126	133.7 Å²	133.7	77%	0.773	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-51.6	128.1	175.5	-44.7	0	0	0	0	111.6
216	P	71.4	Confident	49	Very low	77 Å²	77	135.1 Å²	135.1	50%	0.5	75%	0.749	S	S	.	*	P	Polyproline II helix	trans	-77.8	171.4	175.4	33.2	-35.8	0	0	0	112	V218	P216-V218 PolarHBondContact O-N 3.21Å
217	N	73.1	Confident	49	Very low	144 Å²	144	138 Å²	138	77%	0.77	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-60.3	132.3	176.3	-66.6	-20.9	0	0	0	111.6
218	V	65.1	Low	48.8	Very low	127 Å²	127	136 Å²	136	77%	0.77	75%	0.745	S	S	*	*			trans	-89.9	113.4	172.3	-179.7	0	0	0	0	108.9	P216	P216-V218 PolarHBondContact O-N 3.21Å
219	H	57.6	Low	48.5	Very low	141 Å²	141	133.2 Å²	133.2	65%	0.653	75%	0.745	S	S	*	*			trans	-96.4	106.4	176	-154.7	-70.5	0	0	0	109.6	V221	H219-V221 WeakPolarHBondContact ND1-CG2 3.46Å; H219-V221 PolarHBondContact O-N 3.46Å; H219-V221 VanDerWaalsContact O-N 3.15Å
220	M	35.1	Very low	47.8	Very low	164 Å²	164	128.8 Å²	128.8	81%	0.808	74%	0.74	S	S	*	*			trans	-76.7	100.5	170.8	-63.2	-156.3	-55.2	0	0	109.1
221	V	37.7	Very low	46.8	Very low	106 Å²	106	130.3 Å²	130.3	64%	0.642	75%	0.748	S	S	*	*			trans	-91.1	94.1	165.7	-176.8	0	0	0	0	107.4	H219 T223	H219-V221 WeakPolarHBondContact ND1-CG2 3.46Å; H219-V221 PolarHBondContact O-N 3.46Å; H219-V221 VanDerWaalsContact O-N 3.15Å; V221-T223 PolarHBondContact O-N 2.63Å
222	S	28.1	Very low	45.9	Very low	90 Å²	90	127 Å²	127	63%	0.629	75%	0.747	S	S	*	*			trans	-65.6	114.2	169.2	-63	0	0	0	0	108.9	T224	S222-T224 PolarHBondContact O-N 2.9Å; S222-T224 VanDerWaalsContact O-N 3.11Å
223	T	34.2	Very low	44.2	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	75%	0.75	S	S	*	*	S	Bend	trans	-73.8	9	175.8	42.8	0	0	0	0	113.7	V221	V221-T223 PolarHBondContact O-N 2.63Å
224	T	31.9	Very low	42.6	Very low	113 Å²	113	133.2 Å²	133.2	69%	0.693	76%	0.76	S	S	*	*			trans	-96.2	82.5	168.5	55.7	0	0	0	0	109.4	S222	S222-T224 PolarHBondContact O-N 2.9Å; S222-T224 VanDerWaalsContact O-N 3.11Å
225	A	32	Very low	40.7	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	77%	0.77	S	S	*	*			trans	-62.4	132	149.7	0	0	0	0	0	106.7	M227	A225-M227 PolarHBondContact O-N 3.33Å
226	P	31.3	Very low	38.9	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	77%	0.772	S	S	*	*			trans	-65.5	110.6	170.5	27.7	-31	0	0	0	107.1	D228	P226-D228 PolarHBondContact O-N 2.83Å
227	M	32.5	Very low	36.8	Very low	174 Å²	174	138.9 Å²	138.9	86%	0.857	79%	0.791	S	S	*	*			trans	-62.4	132.9	154.7	-79.9	-156.7	158	0	0	106.9	A225 S229	A225-M227 PolarHBondContact O-N 3.33Å; M227-S229 PolarHBondContact O-N 2.93Å
228	D	29.9	Very low	34.9	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	79%	0.788	S	S	*	*			trans	-55.8	109.1	176.8	-80	-61.2	0	0	0	109.9	P226 N230	P226-D228 PolarHBondContact O-N 2.83Å; D228-N230 PolarHBondContact O-N 2.71Å
229	S	31.9	Very low	33.4	Very low	120 Å²	120	140.3 Å²	140.3	84%	0.839	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	16.4	179.9	-59	0	0	0	0	114.3	M227	M227-S229 PolarHBondContact O-N 2.93Å
230	N	32.8	Very low	32.2	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	8.4	-176	-68.4	-17.7	0	0	0	113.3	D228	D228-N230 PolarHBondContact O-N 2.71Å
231	L	33.3	Very low	32.3	Very low	163 Å²	163	138 Å²	138	85%	0.853	80%	0.804	S	S	*	*	S	Bend	trans	-121.3	30.5	175.8	-153.8	69.9	0	0	0	114.2
232	I	34	Very low	32.1	Very low	168 Å²	168	140.1 Å²	140.1	86%	0.862	81%	0.812	S	S	*	*	S	Bend	trans	-133.3	67.5	163.4	-49.8	-179.5	0	0	0	109.4
233	Q	29.9	Very low	32.5	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	82%	0.821	S	S	*	*	S	Bend	trans	-144.2	27.3	170	-152	-179.8	2.3	0	0	113.2
234	L	31.3	Very low	32.7	Very low	168 Å²	168	139.6 Å²	139.6	88%	0.88	83%	0.826	S	S	*	*	S	Bend	trans	-150.6	36.2	-172.3	-106.2	162	0	0	0	114.6
235	T	31.8	Very low	32.9	Very low	150 Å²	150	138 Å²	138	92%	0.92	83%	0.832	S	S	*	*	S	Bend	trans	-154	20.3	170.8	-6.2	0	0	0	0	115.4
236	G	31.6	Very low	33.2	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	84%	0.835	S	S	*	*			trans	-115.9	20	-174.8	0	0	0	0	0	115.9
237	Q	28.7	Very low	33.6	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	84%	0.842	S	S	*	*			trans	-127.8	58.9	-175.1	-69.9	-172.7	-4.3	0	0	112.9
238	S	31.1	Very low	33.8	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	84%	0.839	S	S	*	*	S	Bend	trans	-149.1	141.2	163.5	-61.8	0	0	0	0	108.6
239	F	33.6	Very low	34.2	Very low	202 Å²	202	137.7 Å²	137.7	89%	0.886	84%	0.843	S	S	*	*			trans	69.6	79.6	174.3	-50.7	-77.2	0	0	0	117.5
240	S	34.1	Very low	34.8	Very low	130 Å²	130	136.9 Å²	136.9	91%	0.909	84%	0.837	S	S	*	*				-161.3	122.8	126.3	-81	0	0	0	0	110
241	T	36.1	Very low	35.2	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	84%	0.84	S	S	*	*			trans	-87.4	147.8	-176.8	33.5	0	0	0	0	113
242	D	33.3	Very low	35.5	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	84%	0.838	S	S	*	*			trans	58.8	105.7	150.7	-50.3	-30.8	0	0	0	120.7
243	A	36.8	Very low	36	Very low	101 Å²	101	132.3 Å²	132.3	84%	0.835	84%	0.839	S	S	*	*				-179.5	111.8	112	0	0	0	0	0	114.2
244	A	38.4	Very low	36.7	Very low	112 Å²	112	129.3 Å²	129.3	93%	0.926	84%	0.836	S	S	*	*			trans	31.9	129.7	148.4	0	0	0	0	0	123.8
245	G	35.5	Very low	37.2	Very low	79 Å²	79	133.5 Å²	133.5	81%	0.814	84%	0.84	S	S	*	*			trans	147.1	92.3	142.9	0	0	0	0	0	119.4
246	S	38.7	Very low	37.5	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	83%	0.832	S	S	*	*			trans	13.7	119.7	158.5	-73.3	0	0	0	0	121.6
247	R	40	Very low	38	Very low	249 Å²	249	131.8 Å²	131.8	94%	0.94	83%	0.834	S	S	*	*				64.7	126.4	88.2	-68.1	177.2	176.1	-168.7	-0.3	115.3
248	G	37.5	Very low	38.8	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	83%	0.827	S	S	*	*			cis	165.2	166.6	-6.6	0	0	0	0	0	114
249	G	38.5	Very low	39.2	Very low	80 Å²	80	128.8 Å²	128.8	83%	0.825	83%	0.831	S	S	*	*			trans	73.2	152	165.2	0	0	0	0	0	118.6
250	S	44.6	Very low	40	Very low	104 Å²	104	124.9 Å²	124.9	73%	0.727	83%	0.827	S	S	*	*			cis	-161.4	146.7	-15.2	-131.1	0	0	0	0	111.1
251	D	40.1	Very low	40.3	Very low	159 Å²	159	123.4 Å²	123.4	85%	0.85	82%	0.822	S	S	*	*			trans	36.7	140.8	148.2	-53.9	-62	0	0	0	125.3
252	G	40	Very low	40.5	Very low	79 Å²	79	122.3 Å²	122.3	81%	0.814	82%	0.82	S	S	*	*			trans	171	99.8	162	0	0	0	0	0	114.7
253	T	44.9	Very low	41	Very low	144 Å²	144	121.1 Å²	121.1	88%	0.883	82%	0.818	S	S	*	*			trans	-88	163.4	-169.7	45	0	0	0	0	117
254	P	45	Very low	41.2	Very low	124 Å²	124	121 Å²	121	81%	0.805	81%	0.811	S	S	*	*			trans	-112.6	166.2	-166.8	41.9	-34.4	0	0	0	117.5
255	R	40.3	Very low	41.5	Very low	255 Å²	255	121.5 Å²	121.5	96%	0.962	81%	0.807	S	S	*	*			trans	-169.9	147.4	164.8	-131.8	175.9	176.4	-153.7	-0.8	108.7
256	G	39	Very low	41.7	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	80%	0.804	S	S	*	*			cis	-166.5	179.5	-4.2	0	0	0	0	0	111
257	S	41.7	Very low	41.9	Very low	120 Å²	120	126.9 Å²	126.9	84%	0.839	81%	0.809	S	S	*	*			trans	-97.8	-163.9	-175.2	-33.6	0	0	0	0	112.8
258	P	45.5	Very low	41.9	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	80%	0.798	S	S	*	*			cis	-138.6	173.3	-18.7	33.1	-10.6	0	0	0	117.5
259	S	39.9	Very low	42.4	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	80%	0.796	S	S	*	*			trans	-0.3	177.6	143.3	-60.2	0	0	0	0	124.7
260	P	51.2	Low	42.9	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	79%	0.793	S	S	*	*			cis	-146	-166.8	-30.3	37.7	-16	0	0	0	117.5
261	A	39.4	Very low	42.8	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	80%	0.8	S	S	*	*			trans	90.8	152.6	159	0	0	0	0	0	118.1
262	S	41.2	Very low	42.9	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	79%	0.794	S	S	*	*			cis	-167.6	165.7	20.9	79.9	0	0	0	0	116.2
263	V	42.5	Very low	42.7	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	80%	0.796	S	S	*	*			trans	80.2	99.6	142.9	178.7	0	0	0	0	125.7
264	S	42.6	Very low	42.5	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	80%	0.795	S	S	*	*				77.3	149.9	122.8	93.2	0	0	0	0	128.9
265	S	44.6	Very low	42.2	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	80%	0.795	S	S	*	*			trans	79.2	139.3	151	-54.8	0	0	0	0	120.6
266	G	39.4	Very low	41.9	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	79%	0.788	S	S	*	*			cis	162.5	137.8	-15.8	0	0	0	0	0	115.9
267	R	41.8	Very low	42	Very low	229 Å²	229	130.9 Å²	130.9	86%	0.864	80%	0.797	S	S	*	*			trans	65.2	159.6	167.8	-71.7	178.6	165.9	-175.6	-1.8	116.6
268	K	39.9	Very low	41.5	Very low	165 Å²	165	134.4 Å²	134.4	72%	0.717	80%	0.801	S	S	*	*			cis	-167.1	134	-0.1	-119.5	173.5	-179	-171.7	0	106.7
269	S	48.5	Very low	41.2	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	81%	0.809	S	S	*	*				146	164	95.5	-87.9	0	0	0	0	111.2
270	P	48.2	Very low	40.8	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	81%	0.811	S	S	*	*			trans	-125	163.1	-165.2	42	-28.9	0	0	0	117.3
271	H	43.7	Very low	40.2	Very low	188 Å²	188	149.8 Å²	149.8	87%	0.87	82%	0.818	S	S	*	*			trans	-172.1	157.1	161.1	-111.6	-96.8	0	0	0	107.9
272	S	41.2	Very low	40	Very low	104 Å²	104	153.9 Å²	153.9	73%	0.727	82%	0.817	S	S	*	*			cis	-161.6	-174.7	-25.9	40.3	0	0	0	0	109.9
273	K	35.5	Very low	39.6	Very low	198 Å²	198	154 Å²	154	86%	0.861	82%	0.818	S	S	*	*			trans	-102.9	158.7	178.9	-60.3	173	177.9	176.8	0	112.6
274	S	41.5	Very low	39.6	Very low	122 Å²	122	156.4 Å²	156.4	85%	0.853	83%	0.826	S	S	*	*			trans	164.6	163.5	135	-85.5	0	0	0	0	112.9
275	P	38.4	Very low	39.4	Very low	125 Å²	125	155.9 Å²	155.9	81%	0.812	83%	0.828	S	S	*	*			trans	-122.2	-173.5	-136.2	41.6	-28.9	0	0	0	117.9
276	A	35.2	Very low	39	Very low	99 Å²	99	157.3 Å²	157.3	82%	0.818	83%	0.826	S	S	*	*			trans	-36.8	148.2	-175.7	0	0	0	0	0	120.1
277	E	39.6	Very low	39.1	Very low	202 Å²	202	159.5 Å²	159.5	94%	0.944	82%	0.821	S	S	*	*			trans	-144	150	150.9	-116.7	179.2	175.1	0	0	111.4
278	Q	32.9	Very low	39	Very low	195 Å²	195	158.1 Å²	158.1	91%	0.911	82%	0.821	S	S	*	*			trans	-91.2	147.8	-173.9	-64	166.5	-66.6	0	0	111.8
279	R	38.4	Very low	39.2	Very low	246 Å²	246	157.8 Å²	157.8	93%	0.928	82%	0.819	S	S	*	*			trans	-150	117	154.1	-146.4	169.7	-173.1	176.7	2.8	112.7
280	E	31.6	Very low	38.6	Very low	177 Å²	177	162.1 Å²	162.1	83%	0.827	83%	0.825	S	S	*	*			trans	-68.9	146.7	172	-66.6	176	88.8	0	0	111.7
281	R	38.7	Very low	38.1	Very low	249 Å²	249	162.9 Å²	162.9	94%	0.94	83%	0.827	S	S	*	*			trans	-148.2	121.3	146.9	-153.7	169.7	-172.1	169.7	1.8	110.9
282	K	33.9	Very low	38	Very low	184 Å²	184	162.3 Å²	162.3	80%	0.8	82%	0.822	S	S	*	*			trans	-69.8	140.4	174.8	-65.6	171	177.3	172.6	0	110.6
283	S	34.6	Very low	37.8	Very low	106 Å²	106	164.9 Å²	164.9	74%	0.741	83%	0.827	S	S	*	*				161.9	166.6	113.8	55.6	0	0	0	0	112.9
284	L	42.3	Very low	38	Very low	177 Å²	177	162.9 Å²	162.9	93%	0.927	83%	0.825	S	S	*	*			trans	87.7	142.1	170.4	-55	170.6	0	0	0	116.4
285	A	37.3	Very low	37.8	Very low	89 Å²	89	159.6 Å²	159.6	74%	0.736	81%	0.81	S	S	*	*			trans	-115.1	179.5	-155.8	0	0	0	0	0	112.6
286	D	37.4	Very low	37.8	Very low	152 Å²	152	164.6 Å²	164.6	81%	0.813	82%	0.815	S	S	*	*			trans	59.5	98.6	171.1	-82.8	-66	0	0	0	118.3
287	D	41.6	Very low	38.1	Very low	117 Å²	117	169.2 Å²	169.2	63%	0.626	81%	0.811	S	S	*	*				-155.4	116.4	110.4	-162.9	-26.6	0	0	0	109.7	K289	D287-K289 PolarHBondContact O-N 3.45Å; D287-K289 IonicContact OD1-NZ 2.77Å; D287-K289 IonicContact OD2-NZ 3.45Å; D287-K289 PolarHBondContact OD2-NZ 2.74Å
288	K	39.1	Very low	38.5	Very low	201 Å²	201	164.9 Å²	164.9	87%	0.874	79%	0.794	S	S	*	*			trans	-85	45.2	-170	-154.4	172.5	-172.9	172	0	112.7	K290	K288-K290 PolarHBondContact O-N 2.93Å
289	K	43.2	Very low	39.5	Very low	157 Å²	157	158 Å²	158	68%	0.683	77%	0.768	S	S	*	*			trans	-74.1	107.3	175.7	-88	169.9	-173.5	123.3	0	111.2	D287 V291	D287-K289 PolarHBondContact O-N 3.45Å; D287-K289 IonicContact OD1-NZ 2.77Å; D287-K289 IonicContact OD2-NZ 3.45Å; D287-K289 PolarHBondContact OD2-NZ 2.74Å; K289-V291 PolarHBondContact O-N 3.08Å
290	K	36	Very low	40.3	Very low	201 Å²	201	146.8 Å²	146.8	87%	0.874	73%	0.729	S	S	*	*			trans	-53.3	93.5	166.9	-87.2	179	169.5	174.9	0	110.5	K288 K292	K288-K290 PolarHBondContact O-N 2.93Å; K290-K292 PolarHBondContact O-N 3.44Å
291	V	38.4	Very low	41.5	Very low	131 Å²	131	147.9 Å²	147.9	79%	0.794	73%	0.727	S	S	*	*			trans	-63.8	104.9	159.2	179.1	0	0	0	0	106.2	K289 N293	K289-V291 PolarHBondContact O-N 3.08Å; V291-N293 PolarHBondContact O-N 3.49Å; V291-N293 VanDerWaalsContact O-N 3.11Å
292	K	41.1	Very low	42.9	Very low	177 Å²	177	144 Å²	144	77%	0.77	71%	0.713	S	S	*	*			trans	-60.1	117.1	171.5	-72.4	177.9	177.5	176	0	106.9	K290 L294	K290-K292 PolarHBondContact O-N 3.44Å; K292-L294 VanDerWaalsContact C-N 3.35Å; K292-L294 PolarHBondContact O-N 3.49Å
293	N	37.8	Very low	45.3	Very low	158 Å²	158	138.6 Å²	138.6	85%	0.845	69%	0.688	S	S	*	*			trans	-53.7	105.1	160.7	-83.2	-14.6	0	0	0	107	V291 G295	V291-N293 PolarHBondContact O-N 3.49Å; V291-N293 VanDerWaalsContact O-N 3.11Å; N293-G295 PolarHBondContact O-N 3.29Å
294	L	39.3	Very low	48	Very low	155 Å²	155	135.9 Å²	135.9	81%	0.812	66%	0.664	S	S	*	*			trans	-66.9	90.1	162.6	-95.1	80.3	0	0	0	105.6	K292 Y296	K292-L294 VanDerWaalsContact C-N 3.35Å; K292-L294 PolarHBondContact O-N 3.49Å; L294-Y296 PolarHBondContact O-N 3.03Å
295	G	36.9	Very low	50.4	Low	53 Å²	53	127.9 Å²	127.9	55%	0.546	62%	0.622	S	S	.	*			trans	-51.1	137.1	171.4	0	0	0	0	0	109	N293 R297	N293-G295 PolarHBondContact O-N 3.29Å; G295-R297 PolarHBondContact O-N 3.37Å
296	Y	38.4	Very low	53	Low	230 Å²	230	126.4 Å²	126.4	90%	0.902	61%	0.605	S	S	*	*			trans	-42.9	98.6	175.8	-175.5	-92.5	0	0	0	109.8	L294 D298	L294-Y296 PolarHBondContact O-N 3.03Å; Y296-D298 PolarHBondContact O-N 2.93Å
297	R	40.9	Very low	55.5	Low	197 Å²	197	122.2 Å²	122.2	74%	0.743	59%	0.586	S	S	*	*			trans	-70.3	105.7	-174.4	-92	-175.3	161	-174.4	-5.9	108.1	G295 S299	G295-R297 PolarHBondContact O-N 3.37Å; R297-S299 PolarHBondContact O-N 3.33Å
298	D	47.9	Very low	58	Low	110 Å²	110	122.1 Å²	122.1	59%	0.588	60%	0.595	S	S	*	*			trans	-57	112.7	174.8	-177.7	2	0	0	0	109.7	Y296 G300 Y301	Y296-D298 PolarHBondContact O-N 2.93Å; D298-G300 PolarHBondContact O-N 2.93Å; D298-G300 PolarHBondContact OD1-N 3.49Å; D298-Y301 PolarHBondContact O-N 3.35Å
299	S	55.3	Low	60.5	Low	51 Å²	51	117.3 Å²	117.3	36%	0.357	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-63.3	-10.5	-178.4	68.6	0	0	0	0	113.5	R297 Y301 Y302 R359	R297-S299 PolarHBondContact O-N 3.33Å; S299-Y301 PolarHBondContact O-N 3.25Å; S299-Y302 PolarHBondContact O-N 2.9Å; S299-R359 PolarHBondContact OG-NH2 2.76Å; S299-R359 VanDerWaalsContact OG-NH2 3.15Å
300	G	55.6	Low	63	Low	11 Å²	11	110.4 Å²	110.4	11%	0.113	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.9	174.8	0	0	0	0	0	114.5	D298 Y302 W303	D298-G300 PolarHBondContact O-N 2.93Å; D298-G300 PolarHBondContact OD1-N 3.49Å; G300-Y302 PolarHBondContact O-N 3.17Å; G300-Y302 VanDerWaalsContact O-N 3.17Å; G300-W303 PolarHBondContact O-N 3.02Å
301	Y	55.1	Low	65.8	Low	199 Å²	199	106.3 Å²	106.3	78%	0.78	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.6	-175.3	-145.3	-85.8	0	0	0	114.2	D298 S299	D298-Y301 PolarHBondContact O-N 3.35Å; S299-Y301 PolarHBondContact O-N 3.25Å
302	Y	69.4	Low	68.5	Low	168 Å²	168	104 Å²	104	66%	0.659	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-84.2	-4.8	-178	-77.4	-82	0	0	0	114.9	S299 G300	S299-Y302 PolarHBondContact O-N 2.9Å; G300-Y302 PolarHBondContact O-N 3.17Å; G300-Y302 VanDerWaalsContact O-N 3.17Å
303	W	84.4	Confident	71	Confident	71 Å²	71	98.8 Å²	98.8	27%	0.269	49%	0.493	S	S	.	.	S	Bend	trans	-125.5	-2.4	-173.4	-57	84.5	0	0	0	113.1	G300 R359 G371 F372	G300-W303 PolarHBondContact O-N 3.02Å; W303-R359 VanDerWaalsContact CD2-CD 3.48Å; W303-R359 HydrophobicContact CD2-CG 4.03Å; W303-R359 VanDerWaalsContact CE2-CD 3.46Å; W303-R359 HydrophobicContact CE3-CG 4.33Å; W303-R359 VanDerWaalsContact CG-CD 3.45Å; W303-R359 HydrophobicContact CG-CG 4.39Å; W303-R359 HydrophobicContact CZ2-CG 4.47Å; W303-G371 WeakPolarHBondContact O-CA 3.3Å; W303-F372 HydrophobicContact CB-CD1 4.36Å; W303-F372 HydrophobicContact CB-CE1 3.99Å; W303-F372 VanDerWaalsContact O-CD1 3.23Å; W303-F372 WeakPolarHBondContact O-CD1 3.24Å; W303-F372 PolarHBondContact O-N 2.87Å
304	E	91.3	Very high	73.8	Confident	49 Å²	49	98.8 Å²	98.8	23%	0.229	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-86.9	103.8	168.3	-172.3	167.2	178.3	0	0	108.2	K352 F372 T374	E304-K352 IonicContact OE1-NZ 2.69Å; E304-K352 WeakPolarHBondContact OE2-CE 3.36Å; E304-K352 IonicContact OE2-NZ 3.28Å; E304-K352 PolarHBondContact OE2-NZ 3.1Å; E304-F372 CarbonylContact C-O 3.34Å; E304-F372 WeakPolarHBondContact CA-O 3.41Å; E304-F372 HydrophobicContact CB-CD2 4.38Å; E304-F372 HydrophobicContact CB-CE1 4.43Å; E304-F372 HydrophobicContact CB-CE2 3.69Å; E304-F372 HydrophobicContact CB-CZ 3.73Å; E304-F372 HydrophobicContact CG-CD2 4.29Å; E304-F372 HydrophobicContact CG-CE2 3.77Å; E304-F372 HydrophobicContact CG-CZ 4.32Å; E304-T374 HydrophobicContact CG-CG2 4.3Å; E304-T374 WeakPolarHBondContact OE1-CB 3.45Å; E304-T374 WeakPolarHBondContact OE1-CG2 3.26Å; E304-T374 PolarHBondContact OE1-OG1 3.42Å
305	V	92.1	Very high	76.4	Confident	9 Å²	9	99.4 Å²	99.4	6%	0.055	48%	0.477	C	S	.	.			trans	-82.4	129.6	-173.5	-178	0	0	0	0	109.9	E309 V310 W329 F372 M373 I381	V305-E309 HydrophobicContact CG1-CB 4.19Å; V305-V310 HydrophobicContact CB-CG2 4.47Å; V305-V310 HydrophobicContact CG1-CG2 3.53Å; V305-W329 HydrophobicContact CG1-CZ2 4.16Å; V305-W329 VanDerWaalsContact CG1-NE1 3.34Å; V305-W329 HydrophobicContact CG2-CH2 4.18Å; V305-W329 HydrophobicContact CG2-CZ2 3.7Å; V305-F372 PolarHBondContact N-O 3.43Å; V305-M373 HydrophobicContact CB-CG 4.31Å; V305-M373 WeakPolarHBondContact O-CG 3.44Å; V305-I381 HydrophobicContact CB-CD1 3.85Å; V305-I381 HydrophobicContact CG1-CD1 4.16Å; V305-I381 HydrophobicContact CG2-CD1 3.82Å
306	P	91.9	Very high	79	Confident	58 Å²	58	101 Å²	101	38%	0.377	47%	0.472	S	S	.	.			trans	-60.5	132.9	171.8	-24.7	35.1	0	0	0	111.7	S308 E309	P306-S308 PolarHBondContact O-N 3.5Å; P306-E309 HydrophobicContact CB-CG 4.26Å; P306-E309 WeakPolarHBondContact CD-OE1 3.24Å; P306-E309 HydrophobicContact CG-CG 4.49Å; P306-E309 WeakPolarHBondContact CG-OE1 3.14Å; P306-E309 PolarHBondContact O-N 3.36Å
307	P	90.7	Very high	81.3	Confident	63 Å²	63	91.5 Å²	91.5	41%	0.409	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-61	-21.9	-178	-27.7	37.9	0	0	0	114.5	E309 V310 M373 R375	P307-E309 PolarHBondContact O-N 3.07Å; P307-V310 PolarHBondContact O-N 2.92Å; P307-M373 HydrophobicContact CB-SD 4.41Å; P307-M373 HydrophobicContact CG-SD 4.43Å; P307-R375 WeakPolarHBondContact CG-O 3.38Å
308	S	92.7	Very high	83.5	Confident	116 Å²	116	85.7 Å²	85.7	81%	0.811	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-67.3	-19.7	174.4	49	0	0	0	0	114.2	P306	P306-S308 PolarHBondContact O-N 3.5Å
309	E	93.4	Very high	84.8	Confident	99 Å²	99	82.4 Å²	82.4	46%	0.463	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-87.7	-19.1	178.8	-62.8	178	-164.9	0	0	112.9	V305 P306 P307 W329	V305-E309 HydrophobicContact CG1-CB 4.19Å; P306-E309 HydrophobicContact CB-CG 4.26Å; P306-E309 WeakPolarHBondContact CD-OE1 3.24Å; P306-E309 HydrophobicContact CG-CG 4.49Å; P306-E309 WeakPolarHBondContact CG-OE1 3.14Å; P306-E309 PolarHBondContact O-N 3.36Å; P307-E309 PolarHBondContact O-N 3.07Å; E309-W329 PolarHBondContact OE2-NE1 2.94Å
310	V	94.1	Very high	85.5	Confident	13 Å²	13	83.8 Å²	83.8	8%	0.079	43%	0.432	C	S	.	.			trans	-106.5	104.7	-170.7	-175.5	0	0	0	0	110.4	V305 P307 L312 W329 V335 M373 I381	V305-V310 HydrophobicContact CB-CG2 4.47Å; V305-V310 HydrophobicContact CG1-CG2 3.53Å; P307-V310 PolarHBondContact O-N 2.92Å; V310-L312 HydrophobicContact CG1-CD2 4.43Å; V310-L312 PolarHBondContact O-N 3.46Å; V310-W329 HydrophobicContact CG2-CB 4.22Å; V310-W329 HydrophobicContact CG2-CG 4.09Å; V310-V335 HydrophobicContact CG1-CG2 3.83Å; V310-M373 HydrophobicContact CB-SD 4.12Å; V310-M373 HydrophobicContact CG1-CE 4.37Å; V310-M373 HydrophobicContact CG2-SD 3.88Å; V310-I381 HydrophobicContact CG2-CD1 3.77Å
311	Q	95.5	Very high	86.3	Confident	114 Å²	114	85 Å²	85	53%	0.533	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113	172.8	-170.7	-178	25	0	0	109.7	L313 G327 R328	Q311-L313 HydrophobicContact CG-CD2 3.92Å; Q311-G327 CarbonylContact O-C 3.5Å; Q311-G327 WeakPolarHBondContact O-CA 3.39Å; Q311-R328 HydrophobicContact CB-CB 4.32Å; Q311-R328 PolarHBondContact N-O 3.28Å; Q311-R328 PolarHBondContact O-N 3.26Å
312	L	94.5	Very high	87.7	Confident	83 Å²	83	75.6 Å²	75.6	44%	0.435	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.7	169.9	-63.8	179	0	0	0	110.3	V310 F325 V335	V310-L312 HydrophobicContact CG1-CD2 4.43Å; V310-L312 PolarHBondContact O-N 3.46Å; L312-F325 HydrophobicContact CD2-CB 4.18Å; L312-V335 HydrophobicContact CD2-CB 3.72Å; L312-V335 HydrophobicContact CD2-CG1 3.76Å; L312-V335 HydrophobicContact CD2-CG2 3.95Å
313	L	94.9	Very high	88.7	Confident	68 Å²	68	68.9 Å²	68.9	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-135	-179.6	-53.5	172.8	0	0	0	109.6	Q311 R315 R326 R328	Q311-L313 HydrophobicContact CG-CD2 3.92Å; L313-R315 PolarHBondContact O-N 2.77Å; L313-R326 CarbonylContact C-O 3.58Å; L313-R326 WeakPolarHBondContact CA-O 3.24Å; L313-R326 VanDerWaalsContact CB-O 3.28Å; L313-R326 WeakPolarHBondContact CB-O 3.42Å; L313-R326 PolarHBondContact N-O 2.83Å; L313-R328 HydrophobicContact CD1-CB 4.42Å
314	K	94.9	Very high	89.1	Confident	157 Å²	157	67.5 Å²	67.5	68%	0.683	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	129.6	-177.5	-176.1	178.4	178.1	-178.8	0	112.1	I316 F325 R326	K314-I316 HydrophobicContact CD-CD1 4.46Å; K314-I316 HydrophobicContact CG-CD1 4.34Å; K314-I316 PolarHBondContact O-N 3.31Å; K314-F325 WeakPolarHBondContact O-CA 3.47Å; K314-R326 PolarHBondContact O-N 3.45Å
315	R	95.5	Very high	89.2	Confident	168 Å²	168	67.4 Å²	67.4	63%	0.634	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.4	164.3	-172.2	-178.6	72.9	-168.2	3.8	109.5	L313 T323 F325	L313-R315 PolarHBondContact O-N 2.77Å; R315-T323 HydrophobicContact CG-CG2 3.62Å; R315-F325 HydrophobicContact CB-CD1 3.82Å; R315-F325 HydrophobicContact CB-CE1 3.77Å; R315-F325 HydrophobicContact CG-CD1 4.24Å; R315-F325 HydrophobicContact CG-CE1 3.97Å; R315-F325 HydrophobicContact CG-CZ 4.41Å
316	I	91.4	Very high	89.4	Confident	87 Å²	87	70 Å²	70	45%	0.446	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-46.2	-178.7	-56.7	-55.3	0	0	0	110.8	K314 V324 R326 W384	K314-I316 HydrophobicContact CD-CD1 4.46Å; K314-I316 HydrophobicContact CG-CD1 4.34Å; K314-I316 PolarHBondContact O-N 3.31Å; I316-V324 HydrophobicContact CB-CG1 4.45Å; I316-V324 PolarHBondContact N-O 3.03Å; I316-R326 HydrophobicContact CD1-CB 4.14Å; I316-R326 HydrophobicContact CG1-CB 4.33Å; I316-W384 HydrophobicContact CD1-CH2 3.73Å; I316-W384 HydrophobicContact CD1-CZ3 4.27Å; I316-W384 HydrophobicContact CG1-CH2 3.83Å; I316-W384 HydrophobicContact CG1-CZ3 3.93Å
317	G	86.8	Confident	89.6	Confident	31 Å²	31	67.2 Å²	67.2	32%	0.32	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	164	179.4	0	0	0	0	0	112.9	V324	G317-V324 PolarHBondContact N-O 3.47Å; G317-V324 PolarHBondContact O-N 3.4Å
318	T	86.6	Confident	89.9	Confident	75 Å²	75	70.2 Å²	70.2	46%	0.46	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.5	177.6	-60.9	0	0	0	0	109.1	T323 K339	T318-T323 PolarHBondContact OG1-OG1 2.92Å; T318-K339 VanDerWaalsContact CG2-NZ 3.33Å
319	G	75.9	Confident	90	Very high	40 Å²	40	67 Å²	67	41%	0.412	34%	0.337	S	S	.	.			trans	-90.7	-175.1	172.6	0	0	0	0	0	112.3	F321 G322 K339	G319-F321 VanDerWaalsContact C-N 3.31Å; G319-F321 PolarHBondContact O-N 2.99Å; G319-G322 PolarHBondContact N-O 3.39Å; G319-K339 PolarHBondContact O-NZ 2.73Å
320	S	69.9	Low	90	Very high	80 Å²	80	70.4 Å²	70.4	56%	0.559	35%	0.353	S	S	*	.	S	Bend	trans	-57.7	-41.8	171.1	41.9	0	0	0	0	112.4
321	F	71.8	Confident	90	Very high	38 Å²	38	71.6 Å²	71.6	17%	0.167	37%	0.367	C	S	.	.	S	Bend	trans	-94.5	-15.7	-168.9	-44.1	-55.7	0	0	0	114.9	G319 L338 K339 K454	G319-F321 VanDerWaalsContact C-N 3.31Å; G319-F321 PolarHBondContact O-N 2.99Å; F321-L338 WeakPolarHBondContact O-CA 3.32Å; F321-K339 PolarHBondContact O-N 3.45Å; F321-K454 HydrophobicContact CD1-CD 3.8Å; F321-K454 HydrophobicContact CD1-CG 3.62Å; F321-K454 HydrophobicContact CD2-CD 4.43Å; F321-K454 HydrophobicContact CE1-CD 3.34Å; F321-K454 HydrophobicContact CE1-CG 3.65Å; F321-K454 HydrophobicContact CE2-CD 4.02Å; F321-K454 HydrophobicContact CG-CD 4.34Å; F321-K454 HydrophobicContact CG-CG 4.23Å; F321-K454 HydrophobicContact CZ-CD 3.46Å; F321-K454 VanDerWaalsContact CZ-CD 3.46Å; F321-K454 HydrophobicContact CZ-CG 4.26Å
322	G	83.4	Confident	90	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	172.9	-170.1	0	0	0	0	0	113.6	G319 V337	G319-G322 PolarHBondContact N-O 3.39Å; G322-V337 CarbonylContact C-O 3.57Å; G322-V337 WeakPolarHBondContact CA-O 3.48Å
323	T	90.7	Very high	90.1	Very high	26 Å²	26	64.4 Å²	64.4	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.6	171.8	-57.5	0	0	0	0	108.9	R315 T318 F325 V337	R315-T323 HydrophobicContact CG-CG2 3.62Å; T318-T323 PolarHBondContact OG1-OG1 2.92Å; T323-F325 HydrophobicContact CG2-CD2 4.14Å; T323-F325 HydrophobicContact CG2-CE1 4.34Å; T323-F325 HydrophobicContact CG2-CE2 3.45Å; T323-F325 VanDerWaalsContact CG2-CE2 3.45Å; T323-F325 HydrophobicContact CG2-CZ 3.57Å; T323-V337 PolarHBondContact N-O 3.34Å; T323-V337 PolarHBondContact O-N 3.01Å
324	V	92.6	Very high	90.1	Very high	42 Å²	42	61.8 Å²	61.8	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.6	178	-177.4	0	0	0	0	109.5	I316 G317 A334 V335 K336	I316-V324 HydrophobicContact CB-CG1 4.45Å; I316-V324 PolarHBondContact N-O 3.03Å; G317-V324 PolarHBondContact N-O 3.47Å; G317-V324 PolarHBondContact O-N 3.4Å; V324-A334 HydrophobicContact CG1-CB 4.49Å; V324-V335 WeakPolarHBondContact CA-O 3.32Å; V324-K336 HydrophobicContact CG2-CB 4.19Å; V324-K336 HydrophobicContact CG2-CD 4.41Å; V324-K336 HydrophobicContact CG2-CG 3.93Å
325	F	95.1	Very high	90.1	Very high	47 Å²	47	54.3 Å²	54.3	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.4	173	-58.8	-98.8	0	0	0	108.9	L312 K314 R315 T323 V335 V337	L312-F325 HydrophobicContact CD2-CB 4.18Å; K314-F325 WeakPolarHBondContact O-CA 3.47Å; R315-F325 HydrophobicContact CB-CD1 3.82Å; R315-F325 HydrophobicContact CB-CE1 3.77Å; R315-F325 HydrophobicContact CG-CD1 4.24Å; R315-F325 HydrophobicContact CG-CE1 3.97Å; R315-F325 HydrophobicContact CG-CZ 4.41Å; T323-F325 HydrophobicContact CG2-CD2 4.14Å; T323-F325 HydrophobicContact CG2-CE1 4.34Å; T323-F325 HydrophobicContact CG2-CE2 3.45Å; T323-F325 VanDerWaalsContact CG2-CE2 3.45Å; T323-F325 HydrophobicContact CG2-CZ 3.57Å; F325-V335 PolarHBondContact N-O 2.6Å; F325-V335 PolarHBondContact O-N 3.5Å; F325-V337 HydrophobicContact CD2-CG2 3.98Å; F325-V337 HydrophobicContact CE2-CB 4.25Å; F325-V337 HydrophobicContact CE2-CG2 3.85Å
326	R	95.9	Very high	90	Very high	64 Å²	64	47.2 Å²	47.2	24%	0.242	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.2	155.6	-172.6	175.8	-175.8	142.9	4.5	106	L313 K314 I316 D332 W384 E386	L313-R326 CarbonylContact C-O 3.58Å; L313-R326 WeakPolarHBondContact CA-O 3.24Å; L313-R326 VanDerWaalsContact CB-O 3.28Å; L313-R326 WeakPolarHBondContact CB-O 3.42Å; L313-R326 PolarHBondContact N-O 2.83Å; K314-R326 PolarHBondContact O-N 3.45Å; I316-R326 HydrophobicContact CD1-CB 4.14Å; I316-R326 HydrophobicContact CG1-CB 4.33Å; R326-D332 IonicContact CZ-OD2 3.87Å; R326-D332 VanDerWaalsContact CZ-OD2 3.28Å; R326-D332 IonicContact NE-OD2 3.81Å; R326-D332 PolarHBondContact NE-OD2 3.09Å; R326-D332 VanDerWaalsContact NE-OD2 3.11Å; R326-D332 IonicContact NH2-OD2 3.59Å; R326-D332 PolarHBondContact NH2-OD2 3.05Å; R326-W384 HydrophobicContact CB-CE3 4.18Å; R326-W384 HydrophobicContact CB-CH2 4.11Å; R326-W384 HydrophobicContact CB-CZ3 3.78Å; R326-W384 HydrophobicContact CG-CD2 4.21Å; R326-W384 HydrophobicContact CG-CE3 3.96Å; R326-W384 HydrophobicContact CG-CH2 4.3Å; R326-W384 HydrophobicContact CG-CZ2 4.48Å; R326-W384 HydrophobicContact CG-CZ3 4.01Å; R326-E386 IonicContact CZ-OE1 3.18Å; R326-E386 IonicContact NH1-OE1 3.14Å; R326-E386 IonicContact NH1-OE2 2.59Å; R326-E386 IonicContact NH2-OE1 3.91Å; R326-E386 PolarHBondContact NH2-OE1 3.36Å; R326-E386 IonicContact NH2-OE2 2.69Å
327	G	95.8	Very high	90	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	177.1	175.4	0	0	0	0	0	111	Q311 V333	Q311-G327 CarbonylContact O-C 3.5Å; Q311-G327 WeakPolarHBondContact O-CA 3.39Å; G327-V333 PolarHBondContact N-O 3.43Å; G327-V333 WeakPolarHBondContact O-CG2 3.4Å; G327-V333 PolarHBondContact O-N 2.91Å
328	R	96.6	Very high	90	Very high	125 Å²	125	44.4 Å²	44.4	47%	0.472	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.7	175.2	-176.1	159.6	-71.3	170.8	-1.6	110.4	Q311 L313 G331 D332	Q311-R328 HydrophobicContact CB-CB 4.32Å; Q311-R328 PolarHBondContact N-O 3.28Å; Q311-R328 PolarHBondContact O-N 3.26Å; L313-R328 HydrophobicContact CD1-CB 4.42Å; R328-G331 CarbonylContact C-O 3.56Å; R328-G331 VanDerWaalsContact CA-O 3.29Å; R328-G331 WeakPolarHBondContact CA-O 3.37Å; R328-D332 IonicContact CZ-OD1 3.33Å; R328-D332 IonicContact NE-OD1 2.98Å; R328-D332 PolarHBondContact NE-OD1 3.38Å; R328-D332 IonicContact NH2-OD1 2.78Å; R328-D332 PolarHBondContact NH2-OD1 3.49Å; R328-D332 IonicContact NH2-OD2 3.65Å
329	W	94.4	Very high	89.8	Confident	49 Å²	49	46.5 Å²	46.5	19%	0.186	25%	0.245	C	C	.	.	S	Bend	trans	-157.3	108	175	-178.1	75.8	0	0	0	107.7	V305 E309 V310 G331 V333 M370 I381	V305-W329 HydrophobicContact CG1-CZ2 4.16Å; V305-W329 VanDerWaalsContact CG1-NE1 3.34Å; V305-W329 HydrophobicContact CG2-CH2 4.18Å; V305-W329 HydrophobicContact CG2-CZ2 3.7Å; E309-W329 PolarHBondContact OE2-NE1 2.94Å; V310-W329 HydrophobicContact CG2-CB 4.22Å; V310-W329 HydrophobicContact CG2-CG 4.09Å; W329-G331 CarbonylContact C-O 3.41Å; W329-G331 PolarHBondContact N-O 3.03Å; W329-G331 PolarHBondContact O-N 3.32Å; W329-V333 HydrophobicContact CB-CG1 4.38Å; W329-V333 HydrophobicContact CB-CG2 4.15Å; W329-M370 HydrophobicContact CZ3-CB 4.01Å; W329-I381 HydrophobicContact CE3-CG2 4.49Å
330	H	93.4	Very high	89.9	Confident	171 Å²	171	45.8 Å²	45.8	79%	0.792	23%	0.233	S	C	*	.	S	Bend	trans	50.3	25.4	-170.7	-60.2	-61.4	0	0	0	115.8
331	G	94.3	Very high	89.8	Confident	38 Å²	38	47.5 Å²	47.5	39%	0.392	25%	0.245	S	C	.	.	S	Bend	trans	138.2	-174	-169.5	0	0	0	0	0	109.9	R328 W329	R328-G331 CarbonylContact C-O 3.56Å; R328-G331 VanDerWaalsContact CA-O 3.29Å; R328-G331 WeakPolarHBondContact CA-O 3.37Å; W329-G331 CarbonylContact C-O 3.41Å; W329-G331 PolarHBondContact N-O 3.03Å; W329-G331 PolarHBondContact O-N 3.32Å
332	D	95.9	Very high	89.9	Confident	44 Å²	44	54.7 Å²	54.7	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.8	175.7	-77.1	5.3	0	0	0	110.9	R326 R328 W384	R326-D332 IonicContact CZ-OD2 3.87Å; R326-D332 VanDerWaalsContact CZ-OD2 3.28Å; R326-D332 IonicContact NE-OD2 3.81Å; R326-D332 PolarHBondContact NE-OD2 3.09Å; R326-D332 VanDerWaalsContact NE-OD2 3.11Å; R326-D332 IonicContact NH2-OD2 3.59Å; R326-D332 PolarHBondContact NH2-OD2 3.05Å; R328-D332 IonicContact CZ-OD1 3.33Å; R328-D332 IonicContact NE-OD1 2.98Å; R328-D332 PolarHBondContact NE-OD1 3.38Å; R328-D332 IonicContact NH2-OD1 2.78Å; R328-D332 PolarHBondContact NH2-OD1 3.49Å; R328-D332 IonicContact NH2-OD2 3.65Å; D332-W384 HydrophobicContact CB-CB 4.25Å; D332-W384 HydrophobicContact CB-CG 4.46Å; D332-W384 VanDerWaalsContact O-CB 3.28Å; D332-W384 WeakPolarHBondContact O-CB 3.42Å; D332-W384 PolarHBondContact O-N 3.43Å
333	V	96.2	Very high	89.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.1	-172.5	-62.6	0	0	0	0	111.4	G327 W329 V335 M370 I381	G327-V333 PolarHBondContact N-O 3.43Å; G327-V333 WeakPolarHBondContact O-CG2 3.4Å; G327-V333 PolarHBondContact O-N 2.91Å; W329-V333 HydrophobicContact CB-CG1 4.38Å; W329-V333 HydrophobicContact CB-CG2 4.15Å; V333-V335 HydrophobicContact CG2-CG2 3.84Å; V333-M370 HydrophobicContact CB-SD 4.46Å; V333-M370 HydrophobicContact CG1-CE 4.47Å; V333-M370 HydrophobicContact CG1-SD 3.55Å; V333-M370 VanDerWaalsContact CG1-SD 3.55Å; V333-I381 HydrophobicContact CB-CG2 3.92Å; V333-I381 HydrophobicContact CG1-CG2 4.16Å; V333-I381 HydrophobicContact CG2-CG2 4.05Å
334	A	95.1	Very high	89.2	Confident	14 Å²	14	58.8 Å²	58.8	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.5	166.4	0	0	0	0	0	109.2	V324 T382 W384	V324-A334 HydrophobicContact CG1-CB 4.49Å; A334-T382 PolarHBondContact N-O 2.99Å; A334-T382 PolarHBondContact O-N 3.43Å; A334-T382 PolarHBondContact O-OG1 3.22Å; A334-W384 HydrophobicContact CB-CE3 4.1Å
335	V	94.8	Very high	88.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111	179.4	-170	0	0	0	0	109.5	V310 L312 V324 F325 V333 M373 A379 I380 I381	V310-V335 HydrophobicContact CG1-CG2 3.83Å; L312-V335 HydrophobicContact CD2-CB 3.72Å; L312-V335 HydrophobicContact CD2-CG1 3.76Å; L312-V335 HydrophobicContact CD2-CG2 3.95Å; V324-V335 WeakPolarHBondContact CA-O 3.32Å; F325-V335 PolarHBondContact N-O 2.6Å; F325-V335 PolarHBondContact O-N 3.5Å; V333-V335 HydrophobicContact CG2-CG2 3.84Å; V335-M373 HydrophobicContact CG1-CE 3.8Å; V335-A379 HydrophobicContact CG1-CB 4.13Å; V335-I380 WeakPolarHBondContact CA-O 3.17Å; V335-I381 HydrophobicContact CG1-CG1 4.42Å
336	K	92.5	Very high	88.2	Confident	18 Å²	18	66.3 Å²	66.3	8%	0.078	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.5	179.1	-172.3	180	-163.3	180	0	109.9	V324 L338 A379 I380 D447	V324-K336 HydrophobicContact CG2-CB 4.19Å; V324-K336 HydrophobicContact CG2-CD 4.41Å; V324-K336 HydrophobicContact CG2-CG 3.93Å; K336-L338 HydrophobicContact CD-CD2 4.29Å; K336-L338 HydrophobicContact CG-CD2 4.18Å; K336-A379 CarbonylContact O-C 3.51Å; K336-A379 VanDerWaalsContact O-CA 3.23Å; K336-A379 WeakPolarHBondContact O-CA 3.49Å; K336-I380 PolarHBondContact N-O 2.98Å; K336-I380 PolarHBondContact O-N 3.04Å; K336-D447 IonicContact NZ-OD1 3.76Å; K336-D447 PolarHBondContact NZ-OD1 2.91Å; K336-D447 IonicContact NZ-OD2 3.18Å; K336-D447 PolarHBondContact NZ-OD2 3.07Å
337	V	91.9	Very high	87.3	Confident	47 Å²	47	65 Å²	65	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.8	174.6	-176.2	0	0	0	0	108.6	G322 T323 F325 A379	G322-V337 CarbonylContact C-O 3.57Å; G322-V337 WeakPolarHBondContact CA-O 3.48Å; T323-V337 PolarHBondContact N-O 3.34Å; T323-V337 PolarHBondContact O-N 3.01Å; F325-V337 HydrophobicContact CD2-CG2 3.98Å; F325-V337 HydrophobicContact CE2-CB 4.25Å; F325-V337 HydrophobicContact CE2-CG2 3.85Å; V337-A379 HydrophobicContact CG2-CB 4.26Å
338	L	88.1	Confident	86.7	Confident	13 Å²	13	66.2 Å²	66.2	7%	0.068	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.7	-173	-56.8	173.3	0	0	0	110.8	F321 K336 V340 F351 F378 I380 W457	F321-L338 WeakPolarHBondContact O-CA 3.32Å; K336-L338 HydrophobicContact CD-CD2 4.29Å; K336-L338 HydrophobicContact CG-CD2 4.18Å; L338-V340 HydrophobicContact CB-CG2 4.29Å; L338-V340 PolarHBondContact O-N 3.49Å; L338-F351 HydrophobicContact CD1-CD2 4.32Å; L338-F351 HydrophobicContact CD1-CE2 3.61Å; L338-F351 HydrophobicContact CD1-CZ 4.16Å; L338-F378 HydrophobicContact CB-CB 4.26Å; L338-F378 WeakPolarHBondContact CB-O 3.39Å; L338-F378 HydrophobicContact CD1-CB 3.97Å; L338-F378 HydrophobicContact CG-CB 4.49Å; L338-F378 PolarHBondContact N-O 3.21Å; L338-I380 HydrophobicContact CD1-CD1 4.07Å; L338-I380 HydrophobicContact CD1-CG1 4.19Å; L338-I380 HydrophobicContact CD2-CD1 4.45Å; L338-W457 HydrophobicContact CB-CH2 4.37Å; L338-W457 HydrophobicContact CB-CZ3 4.29Å; L338-W457 HydrophobicContact CD1-CH2 3.66Å; L338-W457 HydrophobicContact CD1-CZ3 4.21Å
339	K	82.2	Confident	86	Confident	118 Å²	118	65 Å²	65	51%	0.513	36%	0.359	S	S	.	.			trans	-80.3	61.4	-179.5	-74.1	168.8	172.6	177.1	0	111.6	T318 G319 F321	T318-K339 VanDerWaalsContact CG2-NZ 3.33Å; G319-K339 PolarHBondContact O-NZ 2.73Å; F321-K339 PolarHBondContact O-N 3.45Å
340	V	76.7	Confident	85.4	Confident	25 Å²	25	63.3 Å²	63.3	15%	0.152	36%	0.355	C	S	.	.			trans	-113.5	109.6	177.1	-171.4	0	0	0	0	109.8	L338 P343 F378 W457	L338-V340 HydrophobicContact CB-CG2 4.29Å; L338-V340 PolarHBondContact O-N 3.49Å; V340-P343 HydrophobicContact CG1-CB 3.83Å; V340-P343 HydrophobicContact CG1-CG 4.44Å; V340-F378 HydrophobicContact CG2-CD2 4.45Å; V340-W457 HydrophobicContact CG2-CD2 3.85Å; V340-W457 HydrophobicContact CG2-CE3 3.38Å; V340-W457 HydrophobicContact CG2-CH2 3.57Å; V340-W457 HydrophobicContact CG2-CZ2 4.05Å; V340-W457 HydrophobicContact CG2-CZ3 3.22Å
341	S	68.9	Low	85	Confident	117 Å²	117	55.1 Å²	55.1	82%	0.818	32%	0.317	S	S	*	.	S	Bend	trans	-81.2	118	172.6	-58.4	0	0	0	0	109.3
342	Q	74.4	Confident	84.5	Confident	189 Å²	189	56.3 Å²	56.3	88%	0.883	31%	0.312	S	S	*	.	S	Bend	trans	48.8	70.8	175.4	-63.8	-177	-12	0	0	114.3	T344	Q342-T344 PolarHBondContact O-N 2.98Å
343	P	77.2	Confident	83.8	Confident	44 Å²	44	58.5 Å²	58.5	29%	0.286	32%	0.323	S	S	.	.			trans	-61.8	137.4	-179.3	24.9	-33.4	0	0	0	112.5	V340 Q347 F378	V340-P343 HydrophobicContact CG1-CB 3.83Å; V340-P343 HydrophobicContact CG1-CG 4.44Å; P343-Q347 HydrophobicContact CB-CB 4.36Å; P343-F378 HydrophobicContact CB-CD2 4.37Å; P343-F378 HydrophobicContact CB-CE1 3.96Å; P343-F378 HydrophobicContact CB-CE2 3.49Å; P343-F378 VanDerWaalsContact CB-CE2 3.49Å; P343-F378 HydrophobicContact CB-CZ 3.23Å; P343-F378 HydrophobicContact CG-CD1 4.18Å; P343-F378 HydrophobicContact CG-CE1 3.51Å; P343-F378 HydrophobicContact CG-CE2 3.93Å; P343-F378 HydrophobicContact CG-CZ 3.35Å
344	T	81.7	Confident	83.1	Confident	69 Å²	69	59.6 Å²	59.6	42%	0.423	33%	0.329	S	S	.	.			trans	-67.8	160.1	171.9	73.3	0	0	0	0	111.2	Q342 E346 Q347 A348	Q342-T344 PolarHBondContact O-N 2.98Å; T344-E346 PolarHBondContact O-N 3.42Å; T344-Q347 PolarHBondContact O-N 2.73Å; T344-Q347 VanDerWaalsContact O-N 3.11Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.34Å; T344-Q347 PolarHBondContact OG1-N 3.49Å; T344-Q347 VanDerWaalsContact OG1-N 3.12Å; T344-A348 PolarHBondContact O-N 2.99Å
345	A	83.6	Confident	82.7	Confident	86 Å²	86	59 Å²	59	71%	0.711	32%	0.323	S	S	*	.	H	α-helix	trans	-57.8	-35.3	175.3	0	0	0	0	0	112.3	A348 Q349	A345-A348 PolarHBondContact O-N 3.05Å; A345-Q349 PolarHBondContact O-N 2.92Å
346	E	82	Confident	82.1	Confident	161 Å²	161	60.6 Å²	60.6	75%	0.752	33%	0.331	S	S	*	.	H	α-helix	trans	-67	-43.1	174.8	-61.5	178.9	175	0	0	112.1	T344 A348 Q349 A350	T344-E346 PolarHBondContact O-N 3.42Å; E346-A348 VanDerWaalsContact C-N 3.32Å; E346-A348 PolarHBondContact O-N 3.45Å; E346-Q349 PolarHBondContact O-N 3.06Å; E346-A350 VanDerWaalsContact O-CB 3.3Å; E346-A350 WeakPolarHBondContact O-CB 3.43Å; E346-A350 PolarHBondContact O-N 3.02Å
347	Q	78.6	Confident	81.6	Confident	37 Å²	37	63.1 Å²	63.1	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-37.7	174.6	-71.9	172.3	-21.3	0	0	111.6	P343 T344 F351	P343-Q347 HydrophobicContact CB-CB 4.36Å; T344-Q347 PolarHBondContact O-N 2.73Å; T344-Q347 VanDerWaalsContact O-N 3.11Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.34Å; T344-Q347 PolarHBondContact OG1-N 3.49Å; T344-Q347 VanDerWaalsContact OG1-N 3.12Å; Q347-F351 VanDerWaalsContact O-CB 3.3Å; Q347-F351 WeakPolarHBondContact O-CB 3.44Å; Q347-F351 PolarHBondContact O-N 3.03Å
348	A	82.4	Confident	81.2	Confident	24 Å²	24	61.5 Å²	61.5	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-44.5	173.8	0	0	0	0	0	112.2	T344 A345 E346 F351 K352 F378	T344-A348 PolarHBondContact O-N 2.99Å; A345-A348 PolarHBondContact O-N 3.05Å; E346-A348 VanDerWaalsContact C-N 3.32Å; E346-A348 PolarHBondContact O-N 3.45Å; A348-F351 PolarHBondContact O-N 3.32Å; A348-K352 WeakPolarHBondContact O-CB 3.38Å; A348-K352 WeakPolarHBondContact O-CG 3.45Å; A348-K352 PolarHBondContact O-N 2.67Å; A348-F378 VanDerWaalsContact CA-CZ 3.47Å; A348-F378 HydrophobicContact CB-CE1 4.29Å; A348-F378 HydrophobicContact CB-CZ 3.69Å
349	Q	82.9	Confident	81	Confident	100 Å²	100	63.8 Å²	63.8	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-68.4	-39.4	177	-169.9	59.5	46.7	0	0	111.9	A345 E346 K352 N353	A345-Q349 PolarHBondContact O-N 2.92Å; E346-Q349 PolarHBondContact O-N 3.06Å; Q349-K352 PolarHBondContact O-N 2.81Å; Q349-N353 PolarHBondContact NE2-OD1 3.15Å; Q349-N353 WeakPolarHBondContact O-CB 3.4Å; Q349-N353 PolarHBondContact O-N 2.89Å; Q349-N353 PolarHBondContact O-ND2 3.03Å; Q349-N353 PolarHBondContact O-OD1 3.29Å
350	A	80.4	Confident	81.1	Confident	13 Å²	13	64.6 Å²	64.6	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-46.7	174.4	0	0	0	0	0	111.5	E346 K352 N353 E354	E346-A350 VanDerWaalsContact O-CB 3.3Å; E346-A350 WeakPolarHBondContact O-CB 3.43Å; E346-A350 PolarHBondContact O-N 3.02Å; A350-K352 PolarHBondContact O-N 2.84Å; A350-N353 PolarHBondContact O-N 2.91Å; A350-E354 PolarHBondContact O-N 2.81Å
351	F	84.4	Confident	81.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.2	-49.8	173.8	177	-112.1	0	0	0	111.3	L338 Q347 A348 N353 E354 M355 F372 F378 I380 V453 W457	L338-F351 HydrophobicContact CD1-CD2 4.32Å; L338-F351 HydrophobicContact CD1-CE2 3.61Å; L338-F351 HydrophobicContact CD1-CZ 4.16Å; Q347-F351 VanDerWaalsContact O-CB 3.3Å; Q347-F351 WeakPolarHBondContact O-CB 3.44Å; Q347-F351 PolarHBondContact O-N 3.03Å; A348-F351 PolarHBondContact O-N 3.32Å; F351-N353 VanDerWaalsContact C-N 3.32Å; F351-N353 PolarHBondContact O-N 3.41Å; F351-E354 PolarHBondContact O-N 3.16Å; F351-E354 VanDerWaalsContact O-N 3.17Å; F351-M355 HydrophobicContact CD1-CG 4.38Å; F351-M355 HydrophobicContact CD2-CE 3.91Å; F351-M355 HydrophobicContact CD2-CG 4.32Å; F351-M355 HydrophobicContact CD2-SD 4.44Å; F351-M355 HydrophobicContact CE1-CG 4.07Å; F351-M355 HydrophobicContact CE2-CE 3.6Å; F351-M355 HydrophobicContact CE2-CG 4Å; F351-M355 HydrophobicContact CE2-SD 3.73Å; F351-M355 HydrophobicContact CZ-CE 4.33Å; F351-M355 HydrophobicContact CZ-CG 3.86Å; F351-M355 HydrophobicContact CZ-SD 3.84Å; F351-M355 WeakPolarHBondContact O-CG 3.28Å; F351-M355 PolarHBondContact O-N 3.12Å; F351-F372 HydrophobicContact CD1-CD2 4.47Å; F351-F372 HydrophobicContact CE1-CB 4.09Å; F351-F372 AromaticContact CE1-CD2 3.76Å; F351-F372 HydrophobicContact CE1-CD2 3.76Å; F351-F372 HydrophobicContact CE1-CG 4.2Å; F351-F372 HydrophobicContact CZ-CB 4.03Å; F351-F378 HydrophobicContact CB-CD2 4.21Å; F351-F378 HydrophobicContact CB-CE2 3.98Å; F351-F378 HydrophobicContact CD1-CD1 4.35Å; F351-F378 HydrophobicContact CD1-CD2 4.03Å; F351-F378 HydrophobicContact CD1-CE2 4.32Å; F351-F378 HydrophobicContact CD1-CG 4.05Å; F351-F378 HydrophobicContact CD2-CD2 4.36Å; F351-F378 HydrophobicContact CE1-CB 4.17Å; F351-F378 HydrophobicContact CE1-CD1 4.49Å; F351-F378 HydrophobicContact CE1-CG 4.16Å; F351-F378 AromaticContact CG-CD2 3.95Å; F351-F378 HydrophobicContact CG-CD2 3.95Å; F351-F378 HydrophobicContact CG-CE2 4.19Å; F351-F378 HydrophobicContact CG-CG 4.4Å; F351-F378 HydrophobicContact CZ-CB 4.21Å; F351-I380 HydrophobicContact CE2-CD1 4.15Å; F351-I380 HydrophobicContact CE2-CG1 4.02Å; F351-I380 HydrophobicContact CZ-CG1 4.02Å; F351-V453 HydrophobicContact CD2-CG1 4.26Å; F351-W457 HydrophobicContact CB-CZ2 4.46Å; F351-W457 HydrophobicContact CD2-CH2 4.42Å; F351-W457 HydrophobicContact CD2-CZ2 4.24Å
352	K	84.5	Confident	82.8	Confident	62 Å²	62	66.6 Å²	66.6	27%	0.27	34%	0.335	S	S	.	.	H	α-helix	trans	-57.3	-42.8	176.4	-75.6	-176.2	175.7	-157	0	112.6	E304 A348 Q349 A350 E354 M355 Q356 F372	E304-K352 IonicContact OE1-NZ 2.69Å; E304-K352 WeakPolarHBondContact OE2-CE 3.36Å; E304-K352 IonicContact OE2-NZ 3.28Å; E304-K352 PolarHBondContact OE2-NZ 3.1Å; A348-K352 WeakPolarHBondContact O-CB 3.38Å; A348-K352 WeakPolarHBondContact O-CG 3.45Å; A348-K352 PolarHBondContact O-N 2.67Å; Q349-K352 PolarHBondContact O-N 2.81Å; A350-K352 PolarHBondContact O-N 2.84Å; K352-E354 PolarHBondContact O-N 3.02Å; K352-M355 PolarHBondContact O-N 2.9Å; K352-Q356 WeakPolarHBondContact O-CG 3.23Å; K352-Q356 PolarHBondContact O-N 3.11Å; K352-Q356 VanDerWaalsContact O-N 3.07Å; K352-F372 HydrophobicContact CG-CE2 4.01Å; K352-F372 HydrophobicContact CG-CZ 4.18Å
353	N	81.9	Confident	83.8	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.5	-68.8	-9.5	0	0	0	111.8	Q349 A350 F351 Q356 V357	Q349-N353 PolarHBondContact NE2-OD1 3.15Å; Q349-N353 WeakPolarHBondContact O-CB 3.4Å; Q349-N353 PolarHBondContact O-N 2.89Å; Q349-N353 PolarHBondContact O-ND2 3.03Å; Q349-N353 PolarHBondContact O-OD1 3.29Å; A350-N353 PolarHBondContact O-N 2.91Å; F351-N353 VanDerWaalsContact C-N 3.32Å; F351-N353 PolarHBondContact O-N 3.41Å; N353-Q356 WeakPolarHBondContact O-CB 3.36Å; N353-Q356 PolarHBondContact O-N 2.86Å; N353-V357 PolarHBondContact O-N 3.01Å
354	E	81.1	Confident	84.7	Confident	25 Å²	25	62 Å²	62	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-40.5	175.5	-70.6	-176	-162.4	0	0	112.3	A350 F351 K352 Q356 V357 L358 T452 V453	A350-E354 PolarHBondContact O-N 2.81Å; F351-E354 PolarHBondContact O-N 3.16Å; F351-E354 VanDerWaalsContact O-N 3.17Å; K352-E354 PolarHBondContact O-N 3.02Å; E354-Q356 PolarHBondContact O-N 3.44Å; E354-V357 WeakPolarHBondContact O-CA 3.33Å; E354-V357 WeakPolarHBondContact O-CB 3.35Å; E354-V357 PolarHBondContact O-N 3.32Å; E354-L358 PolarHBondContact O-N 3.21Å; E354-T452 WeakPolarHBondContact OE1-CB 3.32Å; E354-T452 PolarHBondContact OE1-OG1 3.2Å; E354-T452 PolarHBondContact OE2-OG1 3.34Å; E354-V453 PolarHBondContact OE1-N 3.12Å; E354-V453 WeakPolarHBondContact OE2-CB 3.47Å; E354-V453 WeakPolarHBondContact OE2-CG1 3.23Å; E354-V453 PolarHBondContact OE2-N 2.98Å
355	M	86.6	Confident	85.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-31.2	174.8	-62.6	-52.5	97.7	0	0	111.7	F351 K352 V357 L358 R359 F369 F372 I380 L450	F351-M355 HydrophobicContact CD1-CG 4.38Å; F351-M355 HydrophobicContact CD2-CE 3.91Å; F351-M355 HydrophobicContact CD2-CG 4.32Å; F351-M355 HydrophobicContact CD2-SD 4.44Å; F351-M355 HydrophobicContact CE1-CG 4.07Å; F351-M355 HydrophobicContact CE2-CE 3.6Å; F351-M355 HydrophobicContact CE2-CG 4Å; F351-M355 HydrophobicContact CE2-SD 3.73Å; F351-M355 HydrophobicContact CZ-CE 4.33Å; F351-M355 HydrophobicContact CZ-CG 3.86Å; F351-M355 HydrophobicContact CZ-SD 3.84Å; F351-M355 WeakPolarHBondContact O-CG 3.28Å; F351-M355 PolarHBondContact O-N 3.12Å; K352-M355 PolarHBondContact O-N 2.9Å; M355-V357 VanDerWaalsContact C-N 3.26Å; M355-V357 PolarHBondContact O-N 2.82Å; M355-L358 HydrophobicContact CE-CD1 3.51Å; M355-L358 HydrophobicContact CE-CG 4.38Å; M355-L358 PolarHBondContact O-N 2.98Å; M355-L358 HydrophobicContact SD-CD1 3.97Å; M355-R359 VanDerWaalsContact O-CB 3.24Å; M355-R359 WeakPolarHBondContact O-CB 3.31Å; M355-R359 PolarHBondContact O-N 3.36Å; M355-F369 HydrophobicContact CB-CZ 4.09Å; M355-F369 HydrophobicContact CG-CZ 4.35Å; M355-F369 HydrophobicContact SD-CE2 3.59Å; M355-F369 VanDerWaalsContact SD-CE2 3.59Å; M355-F369 HydrophobicContact SD-CZ 3.9Å; M355-F372 HydrophobicContact CB-CD1 3.63Å; M355-F372 HydrophobicContact CB-CE1 3.89Å; M355-F372 HydrophobicContact CB-CG 4.18Å; M355-F372 HydrophobicContact CG-CB 3.93Å; M355-F372 HydrophobicContact CG-CD1 3.76Å; M355-F372 HydrophobicContact CG-CD2 4.38Å; M355-F372 HydrophobicContact CG-CE1 4.35Å; M355-F372 HydrophobicContact CG-CG 3.77Å; M355-F372 HydrophobicContact SD-CB 4.17Å; M355-I380 HydrophobicContact CE-CD1 4.1Å; M355-I380 HydrophobicContact SD-CD1 4.12Å; M355-I380 HydrophobicContact SD-CG1 4Å; M355-L450 HydrophobicContact CE-CD2 4.1Å
356	Q	81.9	Confident	86	Confident	35 Å²	35	54.8 Å²	54.8	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-22.5	171.5	-68.1	-49.2	-53.6	0	0	114.3	K352 N353 E354	K352-Q356 WeakPolarHBondContact O-CG 3.23Å; K352-Q356 PolarHBondContact O-N 3.11Å; K352-Q356 VanDerWaalsContact O-N 3.07Å; N353-Q356 WeakPolarHBondContact O-CB 3.36Å; N353-Q356 PolarHBondContact O-N 2.86Å; E354-Q356 PolarHBondContact O-N 3.44Å
357	V	82.3	Confident	86.5	Confident	71 Å²	71	47.9 Å²	47.9	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-79.3	-51.6	171.9	-178.5	0	0	0	0	109.6	N353 E354 M355 R359 K360 I425	N353-V357 PolarHBondContact O-N 3.01Å; E354-V357 WeakPolarHBondContact O-CA 3.33Å; E354-V357 WeakPolarHBondContact O-CB 3.35Å; E354-V357 PolarHBondContact O-N 3.32Å; M355-V357 VanDerWaalsContact C-N 3.26Å; M355-V357 PolarHBondContact O-N 2.82Å; V357-R359 VanDerWaalsContact C-N 3.28Å; V357-R359 PolarHBondContact O-N 2.82Å; V357-K360 PolarHBondContact O-N 2.77Å; V357-I425 HydrophobicContact CG1-CD1 3.81Å; V357-I425 HydrophobicContact CG1-CG1 3.93Å
358	L	84.1	Confident	87.2	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-40.7	179.5	-60.4	-175.8	0	0	0	112.1	E354 M355 K360 T361 F369 F448 L450	E354-L358 PolarHBondContact O-N 3.21Å; M355-L358 HydrophobicContact CE-CD1 3.51Å; M355-L358 HydrophobicContact CE-CG 4.38Å; M355-L358 PolarHBondContact O-N 2.98Å; M355-L358 HydrophobicContact SD-CD1 3.97Å; L358-K360 PolarHBondContact O-N 2.82Å; L358-T361 WeakPolarHBondContact O-CB 3.46Å; L358-T361 PolarHBondContact O-N 3.06Å; L358-T361 PolarHBondContact O-OG1 3.2Å; L358-F369 HydrophobicContact CB-CD2 3.94Å; L358-F369 HydrophobicContact CB-CE2 4.28Å; L358-F369 HydrophobicContact CB-CG 4.12Å; L358-F369 HydrophobicContact CD1-CD2 4.2Å; L358-F369 HydrophobicContact CD1-CE2 4.27Å; L358-F448 HydrophobicContact CD2-CD2 3.74Å; L358-F448 HydrophobicContact CD2-CE2 3.43Å; L358-F448 VanDerWaalsContact CD2-CE2 3.43Å; L358-F448 HydrophobicContact CD2-CZ 4.27Å; L358-L450 HydrophobicContact CD1-CD2 3.92Å
359	R	84.1	Confident	87.7	Confident	61 Å²	61	48.7 Å²	48.7	23%	0.23	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.4	175.4	-178.3	177	74.5	94.7	-16.8	114.8	S299 W303 M355 V357 T361 F369	S299-R359 PolarHBondContact OG-NH2 2.76Å; S299-R359 VanDerWaalsContact OG-NH2 3.15Å; W303-R359 VanDerWaalsContact CD2-CD 3.48Å; W303-R359 HydrophobicContact CD2-CG 4.03Å; W303-R359 VanDerWaalsContact CE2-CD 3.46Å; W303-R359 HydrophobicContact CE3-CG 4.33Å; W303-R359 VanDerWaalsContact CG-CD 3.45Å; W303-R359 HydrophobicContact CG-CG 4.39Å; W303-R359 HydrophobicContact CZ2-CG 4.47Å; M355-R359 VanDerWaalsContact O-CB 3.24Å; M355-R359 WeakPolarHBondContact O-CB 3.31Å; M355-R359 PolarHBondContact O-N 3.36Å; V357-R359 VanDerWaalsContact C-N 3.28Å; V357-R359 PolarHBondContact O-N 2.82Å; R359-T361 VanDerWaalsContact C-N 3.27Å; R359-F369 HydrophobicContact CB-CD1 4.28Å; R359-F369 HydrophobicContact CB-CE1 4.22Å
360	K	83.2	Confident	88.1	Confident	136 Å²	136	46.1 Å²	46.1	59%	0.591	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.7	-179.3	-63.5	174.8	-173.4	174.7	0	112.7	V357 L358 Y419	V357-K360 PolarHBondContact O-N 2.77Å; L358-K360 PolarHBondContact O-N 2.82Å; K360-Y419 PolarHBondContact O-OH 3.22Å
361	T	89.2	Confident	88.7	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	22%	0.215	C	C	.	.			trans	-86.4	121	176.3	68	0	0	0	0	110.8	L358 R359 Y419 L420 I425 F448	L358-T361 WeakPolarHBondContact O-CB 3.46Å; L358-T361 PolarHBondContact O-N 3.06Å; L358-T361 PolarHBondContact O-OG1 3.2Å; R359-T361 VanDerWaalsContact C-N 3.27Å; T361-Y419 HydrophobicContact CG2-CE1 4.34Å; T361-L420 HydrophobicContact CG2-CD2 4.11Å; T361-I425 HydrophobicContact CG2-CD1 3.55Å; T361-F448 HydrophobicContact CG2-CE2 3.9Å; T361-F448 HydrophobicContact CG2-CZ 4.37Å
362	R	92.4	Very high	89	Confident	180 Å²	180	45.5 Å²	45.5	68%	0.679	22%	0.215	S	C	*	.			trans	-148.2	103.3	176.1	-72	-170.8	174.3	-162.1	-4.9	107.6	Y419	R362-Y419 PolarHBondContact N-OH 3.33Å; R362-Y419 WeakPolarHBondContact O-CE2 3.47Å; R362-Y419 PolarHBondContact O-OH 2.95Å; R362-Y419 VanDerWaalsContact O-OH 3.12Å
363	H	95.3	Very high	89.3	Confident	59 Å²	59	43.1 Å²	43.1	27%	0.273	21%	0.205	S	C	.	.			trans	-154.6	147.8	179.3	-176.1	-104.3	0	0	0	108.6	N365 I366 Y419	H363-N365 PolarHBondContact ND1-N 3.4Å; H363-N365 VanDerWaalsContact ND1-N 3.2Å; H363-N365 PolarHBondContact O-N 3.44Å; H363-I366 HydrophobicContact CB-CB 4.15Å; H363-I366 HydrophobicContact CB-CG1 3.87Å; H363-I366 PolarHBondContact O-N 3.22Å; H363-I366 VanDerWaalsContact O-N 3.13Å; H363-Y419 HydrophobicContact CB-CD1 3.74Å; H363-Y419 HydrophobicContact CB-CD2 3.78Å; H363-Y419 HydrophobicContact CB-CE1 3.95Å; H363-Y419 HydrophobicContact CB-CE2 3.95Å; H363-Y419 HydrophobicContact CB-CG 3.66Å; H363-Y419 AromaticContact CD2-CD2 3.76Å; H363-Y419 AromaticContact CG-CD2 3.89Å; H363-Y419 AromaticContact CG-CG 3.76Å
364	V	95.7	Very high	89.6	Confident	78 Å²	78	40 Å²	40	47%	0.473	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.1	-176.7	61.8	0	0	0	0	111.6	I366 T442 K444	V364-I366 PolarHBondContact O-N 2.9Å; V364-T442 HydrophobicContact CG2-CG2 4.21Å; V364-K444 WeakPolarHBondContact O-CD 3.26Å; V364-K444 WeakPolarHBondContact O-CE 3.39Å; V364-K444 PolarHBondContact O-NZ 3.47Å
365	N	97.3	Very high	89.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.5	-179.2	-55.4	118	0	0	0	116.3	H363 Q412 V443 I445	H363-N365 PolarHBondContact ND1-N 3.4Å; H363-N365 VanDerWaalsContact ND1-N 3.2Å; H363-N365 PolarHBondContact O-N 3.44Å; N365-Q412 WeakPolarHBondContact CB-O 3.27Å; N365-Q412 PolarHBondContact ND2-OE1 3.16Å; N365-Q412 PolarHBondContact OD1-O 3.49Å; N365-V443 WeakPolarHBondContact CA-O 3.3Å; N365-V443 PolarHBondContact ND2-O 3.15Å; N365-I445 PolarHBondContact O-N 3.23Å
366	I	95.2	Very high	89.6	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.015	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-108.6	137.5	173.3	-63.6	-55.7	0	0	0	108.8	H363 V364 L368 Y419 L420 I445 F448	H363-I366 HydrophobicContact CB-CB 4.15Å; H363-I366 HydrophobicContact CB-CG1 3.87Å; H363-I366 PolarHBondContact O-N 3.22Å; H363-I366 VanDerWaalsContact O-N 3.13Å; V364-I366 PolarHBondContact O-N 2.9Å; I366-L368 PolarHBondContact O-N 3.45Å; I366-Y419 HydrophobicContact CG1-CD1 4.03Å; I366-L420 HydrophobicContact CD1-CD1 3.8Å; I366-L420 HydrophobicContact CD1-CD2 4.1Å; I366-L420 HydrophobicContact CD1-CG 3.76Å; I366-L420 HydrophobicContact CG1-CD2 4.43Å; I366-L420 HydrophobicContact CG1-CG 4.46Å; I366-I445 HydrophobicContact CD1-CB 3.98Å; I366-I445 HydrophobicContact CD1-CD1 4.36Å; I366-F448 HydrophobicContact CG2-CD1 4.43Å; I366-F448 HydrophobicContact CG2-CE1 3.44Å; I366-F448 VanDerWaalsContact CG2-CE1 3.44Å; I366-F448 HydrophobicContact CG2-CE2 4.42Å; I366-F448 HydrophobicContact CG2-CZ 3.44Å; I366-F448 VanDerWaalsContact CG2-CZ 3.44Å
367	L	93.9	Very high	89.8	Confident	16 Å²	16	53.9 Å²	53.9	8%	0.084	26%	0.264	C	S	.	.			trans	-63.8	118.1	175	-169.4	74	0	0	0	108.8	F369 T382 Q383 C385 K444 I445	L367-F369 PolarHBondContact O-N 3.43Å; L367-F369 VanDerWaalsContact O-N 3.12Å; L367-T382 HydrophobicContact CD2-CG2 4.09Å; L367-Q383 HydrophobicContact CD1-CG 3.54Å; L367-Q383 HydrophobicContact CG-CG 4.06Å; L367-C385 WeakPolarHBondContact CD1-SG 3.49Å; L367-K444 HydrophobicContact CD1-CB 4.19Å; L367-I445 VanDerWaalsContact CB-O 3.29Å; L367-I445 WeakPolarHBondContact CB-O 3.46Å; L367-I445 PolarHBondContact N-O 2.95Å
368	L	92.8	Very high	90.1	Very high	65 Å²	65	50.7 Å²	50.7	34%	0.34	24%	0.244	S	C	.	.			trans	-62.4	115.8	-175	179.6	63.4	0	0	0	111.3	I366 M370 T382 Q383	I366-L368 PolarHBondContact O-N 3.45Å; L368-M370 HydrophobicContact CD2-CE 4.26Å; L368-M370 HydrophobicContact CG-CG 4.42Å; L368-T382 CarbonylContact O-C 3.48Å; L368-T382 VanDerWaalsContact O-CA 3.27Å; L368-T382 WeakPolarHBondContact O-CA 3.48Å; L368-T382 WeakPolarHBondContact O-CB 3.48Å; L368-Q383 HydrophobicContact CB-CB 4.15Å; L368-Q383 HydrophobicContact CB-CG 3.96Å; L368-Q383 PolarHBondContact O-N 3.24Å
369	F	92.2	Very high	90.5	Very high	13 Å²	13	50.2 Å²	50.2	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127	166	-179.9	-91.1	0	0	0	110	M355 L358 R359 L367 G371 F372 I380	M355-F369 HydrophobicContact CB-CZ 4.09Å; M355-F369 HydrophobicContact CG-CZ 4.35Å; M355-F369 HydrophobicContact SD-CE2 3.59Å; M355-F369 VanDerWaalsContact SD-CE2 3.59Å; M355-F369 HydrophobicContact SD-CZ 3.9Å; L358-F369 HydrophobicContact CB-CD2 3.94Å; L358-F369 HydrophobicContact CB-CE2 4.28Å; L358-F369 HydrophobicContact CB-CG 4.12Å; L358-F369 HydrophobicContact CD1-CD2 4.2Å; L358-F369 HydrophobicContact CD1-CE2 4.27Å; R359-F369 HydrophobicContact CB-CD1 4.28Å; R359-F369 HydrophobicContact CB-CE1 4.22Å; L367-F369 PolarHBondContact O-N 3.43Å; L367-F369 VanDerWaalsContact O-N 3.12Å; F369-G371 WeakPolarHBondContact CZ-O 3.3Å; F369-F372 HydrophobicContact CZ-CB 4.36Å; F369-F372 HydrophobicContact CZ-CD1 4.11Å; F369-I380 HydrophobicContact CD2-CG2 4.15Å; F369-I380 HydrophobicContact CE2-CG2 3.97Å
370	M	91.8	Very high	90.9	Very high	45 Å²	45	47.7 Å²	47.7	22%	0.222	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-38.6	-176.9	-73.1	176.8	163.1	0	0	112.4	W329 V333 L368 I381 Q383	W329-M370 HydrophobicContact CZ3-CB 4.01Å; V333-M370 HydrophobicContact CB-SD 4.46Å; V333-M370 HydrophobicContact CG1-CE 4.47Å; V333-M370 HydrophobicContact CG1-SD 3.55Å; V333-M370 VanDerWaalsContact CG1-SD 3.55Å; L368-M370 HydrophobicContact CD2-CE 4.26Å; L368-M370 HydrophobicContact CG-CG 4.42Å; M370-I381 HydrophobicContact CB-CB 4.48Å; M370-I381 HydrophobicContact CB-CG2 4.09Å; M370-I381 WeakPolarHBondContact CB-O 3.46Å; M370-I381 PolarHBondContact N-O 3.39Å; M370-Q383 HydrophobicContact CE-CB 3.83Å
371	G	91.8	Very high	91.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-175	-179.8	0	0	0	0	0	112.6	W303 F369 I381	W303-G371 WeakPolarHBondContact O-CA 3.3Å; F369-G371 WeakPolarHBondContact CZ-O 3.3Å; G371-I381 PolarHBondContact N-O 2.71Å; G371-I381 PolarHBondContact O-N 3.19Å
372	F	92.2	Very high	91.6	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.2	175.4	65.4	-86.8	0	0	0	110.7	W303 E304 V305 F351 K352 M355 F369 T374 A379	W303-F372 HydrophobicContact CB-CD1 4.36Å; W303-F372 HydrophobicContact CB-CE1 3.99Å; W303-F372 VanDerWaalsContact O-CD1 3.23Å; W303-F372 WeakPolarHBondContact O-CD1 3.24Å; W303-F372 PolarHBondContact O-N 2.87Å; E304-F372 CarbonylContact C-O 3.34Å; E304-F372 WeakPolarHBondContact CA-O 3.41Å; E304-F372 HydrophobicContact CB-CD2 4.38Å; E304-F372 HydrophobicContact CB-CE1 4.43Å; E304-F372 HydrophobicContact CB-CE2 3.69Å; E304-F372 HydrophobicContact CB-CZ 3.73Å; E304-F372 HydrophobicContact CG-CD2 4.29Å; E304-F372 HydrophobicContact CG-CE2 3.77Å; E304-F372 HydrophobicContact CG-CZ 4.32Å; V305-F372 PolarHBondContact N-O 3.43Å; F351-F372 HydrophobicContact CD1-CD2 4.47Å; F351-F372 HydrophobicContact CE1-CB 4.09Å; F351-F372 AromaticContact CE1-CD2 3.76Å; F351-F372 HydrophobicContact CE1-CD2 3.76Å; F351-F372 HydrophobicContact CE1-CG 4.2Å; F351-F372 HydrophobicContact CZ-CB 4.03Å; K352-F372 HydrophobicContact CG-CE2 4.01Å; K352-F372 HydrophobicContact CG-CZ 4.18Å; M355-F372 HydrophobicContact CB-CD1 3.63Å; M355-F372 HydrophobicContact CB-CE1 3.89Å; M355-F372 HydrophobicContact CB-CG 4.18Å; M355-F372 HydrophobicContact CG-CB 3.93Å; M355-F372 HydrophobicContact CG-CD1 3.76Å; M355-F372 HydrophobicContact CG-CD2 4.38Å; M355-F372 HydrophobicContact CG-CE1 4.35Å; M355-F372 HydrophobicContact CG-CG 3.77Å; M355-F372 HydrophobicContact SD-CB 4.17Å; F369-F372 HydrophobicContact CZ-CB 4.36Å; F369-F372 HydrophobicContact CZ-CD1 4.11Å; F372-T374 HydrophobicContact CD2-CG2 4.04Å; F372-T374 HydrophobicContact CE2-CG2 3.87Å; F372-A379 CarbonylContact C-O 3.39Å; F372-A379 VanDerWaalsContact CA-O 3.23Å; F372-A379 WeakPolarHBondContact CA-O 3.34Å; F372-A379 WeakPolarHBondContact CB-O 3.45Å
373	M	91.1	Very high	91.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.5	170.9	-53.7	-171.8	-76.5	0	0	108.7	V305 P307 V310 V335 F378 A379 I381	V305-M373 HydrophobicContact CB-CG 4.31Å; V305-M373 WeakPolarHBondContact O-CG 3.44Å; P307-M373 HydrophobicContact CB-SD 4.41Å; P307-M373 HydrophobicContact CG-SD 4.43Å; V310-M373 HydrophobicContact CB-SD 4.12Å; V310-M373 HydrophobicContact CG1-CE 4.37Å; V310-M373 HydrophobicContact CG2-SD 3.88Å; V335-M373 HydrophobicContact CG1-CE 3.8Å; M373-F378 WeakPolarHBondContact O-CA 3.39Å; M373-A379 HydrophobicContact CB-CB 4.2Å; M373-A379 HydrophobicContact CE-CB 3.61Å; M373-A379 PolarHBondContact N-O 2.92Å; M373-A379 PolarHBondContact O-N 2.86Å; M373-I381 HydrophobicContact CG-CD1 4.07Å; M373-I381 HydrophobicContact SD-CD1 4.44Å
374	T	87.5	Confident	91.5	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.147	18%	0.179	C	C	.	.			trans	-109.5	-14	173.5	70.4	0	0	0	0	114.2	E304 F372 G377 F378	E304-T374 HydrophobicContact CG-CG2 4.3Å; E304-T374 WeakPolarHBondContact OE1-CB 3.45Å; E304-T374 WeakPolarHBondContact OE1-CG2 3.26Å; E304-T374 PolarHBondContact OE1-OG1 3.42Å; F372-T374 HydrophobicContact CD2-CG2 4.04Å; F372-T374 HydrophobicContact CE2-CG2 3.87Å; T374-G377 CarbonylContact C-O 3.56Å; T374-G377 CarbonylContact O-C 3.49Å; T374-F378 HydrophobicContact CG2-CE1 4.48Å
375	R	84.9	Confident	91.4	Very high	191 Å²	191	31.2 Å²	31.2	72%	0.721	16%	0.162	S	C	*	.	S	Bend	trans	-128	148.8	-179.9	-59.4	-177.5	-176.2	-169.7	-0.7	108.6	P307 G377	P307-R375 WeakPolarHBondContact CG-O 3.38Å; R375-G377 PolarHBondContact N-O 2.91Å
376	P	83.1	Confident	90.9	Very high	138 Å²	138	36.4 Å²	36.4	90%	0.896	19%	0.186	S	C	*	.	S	Bend	cis	-66.7	-13	-12	30.9	-36.2	0	0	0	113.2
377	G	85.1	Confident	90.3	Very high	22 Å²	22	38 Å²	38	23%	0.227	20%	0.203	C	C	.	.	S	Bend	trans	-147.9	-179.6	169	0	0	0	0	0	110.4	T374 R375 A379	T374-G377 CarbonylContact C-O 3.56Å; T374-G377 CarbonylContact O-C 3.49Å; R375-G377 PolarHBondContact N-O 2.91Å; G377-A379 PolarHBondContact O-N 2.74Å
378	F	89.7	Confident	90.2	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	21%	0.208	C	C	.	.			trans	-73.5	128.5	-180	-64.4	-8.1	0	0	0	110.9	L338 V340 P343 A348 F351 M373 T374 W457	L338-F378 HydrophobicContact CB-CB 4.26Å; L338-F378 WeakPolarHBondContact CB-O 3.39Å; L338-F378 HydrophobicContact CD1-CB 3.97Å; L338-F378 HydrophobicContact CG-CB 4.49Å; L338-F378 PolarHBondContact N-O 3.21Å; V340-F378 HydrophobicContact CG2-CD2 4.45Å; P343-F378 HydrophobicContact CB-CD2 4.37Å; P343-F378 HydrophobicContact CB-CE1 3.96Å; P343-F378 HydrophobicContact CB-CE2 3.49Å; P343-F378 VanDerWaalsContact CB-CE2 3.49Å; P343-F378 HydrophobicContact CB-CZ 3.23Å; P343-F378 HydrophobicContact CG-CD1 4.18Å; P343-F378 HydrophobicContact CG-CE1 3.51Å; P343-F378 HydrophobicContact CG-CE2 3.93Å; P343-F378 HydrophobicContact CG-CZ 3.35Å; A348-F378 VanDerWaalsContact CA-CZ 3.47Å; A348-F378 HydrophobicContact CB-CE1 4.29Å; A348-F378 HydrophobicContact CB-CZ 3.69Å; F351-F378 HydrophobicContact CB-CD2 4.21Å; F351-F378 HydrophobicContact CB-CE2 3.98Å; F351-F378 HydrophobicContact CD1-CD1 4.35Å; F351-F378 HydrophobicContact CD1-CD2 4.03Å; F351-F378 HydrophobicContact CD1-CE2 4.32Å; F351-F378 HydrophobicContact CD1-CG 4.05Å; F351-F378 HydrophobicContact CD2-CD2 4.36Å; F351-F378 HydrophobicContact CE1-CB 4.17Å; F351-F378 HydrophobicContact CE1-CD1 4.49Å; F351-F378 HydrophobicContact CE1-CG 4.16Å; F351-F378 AromaticContact CG-CD2 3.95Å; F351-F378 HydrophobicContact CG-CD2 3.95Å; F351-F378 HydrophobicContact CG-CE2 4.19Å; F351-F378 HydrophobicContact CG-CG 4.4Å; F351-F378 HydrophobicContact CZ-CB 4.21Å; M373-F378 WeakPolarHBondContact O-CA 3.39Å; T374-F378 HydrophobicContact CG2-CE1 4.48Å; F378-W457 HydrophobicContact CD2-CH2 4.2Å; F378-W457 AromaticContact CD2-CZ2 3.93Å; F378-W457 HydrophobicContact CD2-CZ2 3.93Å; F378-W457 HydrophobicContact CE2-CZ2 4.27Å
379	A	91.8	Very high	90.2	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.2	173.6	0	0	0	0	0	111.4	V335 K336 V337 F372 M373 G377	V335-A379 HydrophobicContact CG1-CB 4.13Å; K336-A379 CarbonylContact O-C 3.51Å; K336-A379 VanDerWaalsContact O-CA 3.23Å; K336-A379 WeakPolarHBondContact O-CA 3.49Å; V337-A379 HydrophobicContact CG2-CB 4.26Å; F372-A379 CarbonylContact C-O 3.39Å; F372-A379 VanDerWaalsContact CA-O 3.23Å; F372-A379 WeakPolarHBondContact CA-O 3.34Å; F372-A379 WeakPolarHBondContact CB-O 3.45Å; M373-A379 HydrophobicContact CB-CB 4.2Å; M373-A379 HydrophobicContact CE-CB 3.61Å; M373-A379 PolarHBondContact N-O 2.92Å; M373-A379 PolarHBondContact O-N 2.86Å; G377-A379 PolarHBondContact O-N 2.74Å
380	I	92	Very high	90.4	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.2	176.9	-62.4	174.9	0	0	0	108.2	V335 K336 L338 F351 M355 F369 T382 L450	V335-I380 WeakPolarHBondContact CA-O 3.17Å; K336-I380 PolarHBondContact N-O 2.98Å; K336-I380 PolarHBondContact O-N 3.04Å; L338-I380 HydrophobicContact CD1-CD1 4.07Å; L338-I380 HydrophobicContact CD1-CG1 4.19Å; L338-I380 HydrophobicContact CD2-CD1 4.45Å; F351-I380 HydrophobicContact CE2-CD1 4.15Å; F351-I380 HydrophobicContact CE2-CG1 4.02Å; F351-I380 HydrophobicContact CZ-CG1 4.02Å; M355-I380 HydrophobicContact CE-CD1 4.1Å; M355-I380 HydrophobicContact SD-CD1 4.12Å; M355-I380 HydrophobicContact SD-CG1 4Å; F369-I380 HydrophobicContact CD2-CG2 4.15Å; F369-I380 HydrophobicContact CE2-CG2 3.97Å; I380-T382 HydrophobicContact CG2-CG2 4.14Å; I380-L450 HydrophobicContact CD1-CD1 3.98Å; I380-L450 HydrophobicContact CD1-CD2 3.41Å; I380-L450 VanDerWaalsContact CD1-CD2 3.41Å; I380-L450 HydrophobicContact CD1-CG 4.36Å
381	I	93.6	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.5	179.4	-51.7	169.7	0	0	0	107.8	V305 V310 W329 V333 V335 M370 G371 M373	V305-I381 HydrophobicContact CB-CD1 3.85Å; V305-I381 HydrophobicContact CG1-CD1 4.16Å; V305-I381 HydrophobicContact CG2-CD1 3.82Å; V310-I381 HydrophobicContact CG2-CD1 3.77Å; W329-I381 HydrophobicContact CE3-CG2 4.49Å; V333-I381 HydrophobicContact CB-CG2 3.92Å; V333-I381 HydrophobicContact CG1-CG2 4.16Å; V333-I381 HydrophobicContact CG2-CG2 4.05Å; V335-I381 HydrophobicContact CG1-CG1 4.42Å; M370-I381 HydrophobicContact CB-CB 4.48Å; M370-I381 HydrophobicContact CB-CG2 4.09Å; M370-I381 WeakPolarHBondContact CB-O 3.46Å; M370-I381 PolarHBondContact N-O 3.39Å; G371-I381 PolarHBondContact N-O 2.71Å; G371-I381 PolarHBondContact O-N 3.19Å; M373-I381 HydrophobicContact CG-CD1 4.07Å; M373-I381 HydrophobicContact SD-CD1 4.44Å
382	T	93.6	Very high	90.6	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.7	176.7	50	0	0	0	0	110.4	A334 L367 L368 I380 W384	A334-T382 PolarHBondContact N-O 2.99Å; A334-T382 PolarHBondContact O-N 3.43Å; A334-T382 PolarHBondContact O-OG1 3.22Å; L367-T382 HydrophobicContact CD2-CG2 4.09Å; L368-T382 CarbonylContact O-C 3.48Å; L368-T382 VanDerWaalsContact O-CA 3.27Å; L368-T382 WeakPolarHBondContact O-CA 3.48Å; L368-T382 WeakPolarHBondContact O-CB 3.48Å; I380-T382 HydrophobicContact CG2-CG2 4.14Å; T382-W384 PolarHBondContact O-N 2.63Å
383	Q	93.4	Very high	90.7	Very high	25 Å²	25	42.3 Å²	42.3	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	144.4	170.1	64.9	164.8	103.6	0	0	111.1	L367 L368 M370 K444	L367-Q383 HydrophobicContact CD1-CG 3.54Å; L367-Q383 HydrophobicContact CG-CG 4.06Å; L368-Q383 HydrophobicContact CB-CB 4.15Å; L368-Q383 HydrophobicContact CB-CG 3.96Å; L368-Q383 PolarHBondContact O-N 3.24Å; M370-Q383 HydrophobicContact CE-CB 3.83Å; Q383-K444 VanDerWaalsContact OE1-NZ 3.11Å
384	W	93.8	Very high	90.8	Very high	46 Å²	46	42.4 Å²	42.4	17%	0.174	22%	0.224	C	C	.	.			trans	-68.9	155.5	162.1	-174.3	-110.3	0	0	0	110	I316 R326 D332 A334 T382 E386	I316-W384 HydrophobicContact CD1-CH2 3.73Å; I316-W384 HydrophobicContact CD1-CZ3 4.27Å; I316-W384 HydrophobicContact CG1-CH2 3.83Å; I316-W384 HydrophobicContact CG1-CZ3 3.93Å; R326-W384 HydrophobicContact CB-CE3 4.18Å; R326-W384 HydrophobicContact CB-CH2 4.11Å; R326-W384 HydrophobicContact CB-CZ3 3.78Å; R326-W384 HydrophobicContact CG-CD2 4.21Å; R326-W384 HydrophobicContact CG-CE3 3.96Å; R326-W384 HydrophobicContact CG-CH2 4.3Å; R326-W384 HydrophobicContact CG-CZ2 4.48Å; R326-W384 HydrophobicContact CG-CZ3 4.01Å; D332-W384 HydrophobicContact CB-CB 4.25Å; D332-W384 HydrophobicContact CB-CG 4.46Å; D332-W384 VanDerWaalsContact O-CB 3.28Å; D332-W384 WeakPolarHBondContact O-CB 3.42Å; D332-W384 PolarHBondContact O-N 3.43Å; A334-W384 HydrophobicContact CB-CE3 4.1Å; T382-W384 PolarHBondContact O-N 2.63Å; W384-E386 PolarHBondContact NE1-OE1 3.2Å; W384-E386 PolarHBondContact NE1-OE2 3.37Å
385	C	91.8	Very high	91.1	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.101	23%	0.228	C	C	.	.			trans	-132.2	118.7	170.6	-75.6	0	0	0	0	107.5	L367 G387	L367-C385 WeakPolarHBondContact CD1-SG 3.49Å; C385-G387 VanDerWaalsContact C-N 3.27Å; C385-G387 PolarHBondContact O-N 3.04Å
386	E	87	Confident	91.4	Very high	111 Å²	111	38.9 Å²	38.9	52%	0.519	22%	0.22	S	C	.	.	S	Bend	trans	-73.9	-13.7	-177.1	-65.3	-65.9	177.2	0	0	114.4	R326 W384	R326-E386 IonicContact CZ-OE1 3.18Å; R326-E386 IonicContact NH1-OE1 3.14Å; R326-E386 IonicContact NH1-OE2 2.59Å; R326-E386 IonicContact NH2-OE1 3.91Å; R326-E386 PolarHBondContact NH2-OE1 3.36Å; R326-E386 IonicContact NH2-OE2 2.69Å; W384-E386 PolarHBondContact NE1-OE1 3.2Å; W384-E386 PolarHBondContact NE1-OE2 3.37Å
387	G	83.6	Confident	91.8	Very high	37 Å²	37	34.7 Å²	34.7	38%	0.381	20%	0.197	S	C	.	.	S	Bend	trans	-91.1	-169.2	174.2	0	0	0	0	0	113.5	C385 L437	C385-G387 VanDerWaalsContact C-N 3.27Å; C385-G387 PolarHBondContact O-N 3.04Å; G387-L437 VanDerWaalsContact CA-O 3.32Å; G387-L437 WeakPolarHBondContact CA-O 3.42Å
388	S	91	Very high	92.1	Very high	27 Å²	27	39.4 Å²	39.4	19%	0.189	22%	0.217	C	C	.	.			trans	-112	171.8	-176.7	82.9	0	0	0	0	113	H392 H393 L437	S388-H392 PolarHBondContact OG-ND1 3.4Å; S388-H393 PolarHBondContact OG-CD2 3.09Å; S388-H393 PolarHBondContact OG-NE2 3.12Å; S388-L437 PolarHBondContact O-N 3.47Å
389	S	93.8	Very high	92.1	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-67.7	150.9	173.4	61.2	0	0	0	0	110.8	Y391 H392 H393 N433 I435	S389-Y391 PolarHBondContact O-N 3.37Å; S389-H392 WeakPolarHBondContact O-CB 3.33Å; S389-H392 PolarHBondContact O-N 3.34Å; S389-H392 PolarHBondContact OG-N 2.86Å; S389-H393 PolarHBondContact O-CD2 3.36Å; S389-H393 PolarHBondContact O-N 3.36Å; S389-H393 VanDerWaalsContact O-N 3.1Å; S389-N433 WeakPolarHBondContact CB-O 3.41Å; S389-I435 CarbonylContact C-O 3.5Å; S389-I435 WeakPolarHBondContact CA-O 3.47Å
390	L	96.2	Very high	92	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-36	175	179	62.4	0	0	0	110.9	H392 H393 L394 V409 S432 I435 L437 V498 L502	L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.04Å; L390-H393 PolarHBondContact O-N 2.78Å; L390-L394 HydrophobicContact CD1-CD1 3.9Å; L390-L394 HydrophobicContact CD1-CD2 4.48Å; L390-L394 HydrophobicContact CD1-CG 3.94Å; L390-L394 HydrophobicContact CD2-CD1 4.45Å; L390-L394 HydrophobicContact CG-CD1 3.86Å; L390-L394 HydrophobicContact CG-CG 4.28Å; L390-L394 WeakPolarHBondContact O-CG 3.06Å; L390-L394 PolarHBondContact O-N 2.83Å; L390-V409 HydrophobicContact CD1-CG1 4.2Å; L390-V409 HydrophobicContact CD2-CG1 4.18Å; L390-S432 PolarHBondContact N-O 3.27Å; L390-I435 HydrophobicContact CB-CB 4.15Å; L390-I435 HydrophobicContact CB-CG2 4.08Å; L390-I435 HydrophobicContact CD2-CB 4.48Å; L390-I435 HydrophobicContact CD2-CD1 4.37Å; L390-I435 HydrophobicContact CD2-CG2 4.12Å; L390-I435 PolarHBondContact N-O 2.98Å; L390-L437 HydrophobicContact CD1-CD1 4.13Å; L390-V498 HydrophobicContact CD2-CG1 3.96Å; L390-L502 HydrophobicContact CD1-CD2 3.95Å; L390-L502 HydrophobicContact CD2-CD2 4.08Å; L390-L502 HydrophobicContact CD2-CG 4.37Å
391	Y	94.7	Very high	92	Very high	65 Å²	65	53.4 Å²	53.4	26%	0.255	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-44.2	172.9	-175.2	-81	0	0	0	112.2	S389 H395 V396 S432 N433 W472 L507	S389-Y391 PolarHBondContact O-N 3.37Å; Y391-H395 AromaticContact CD2-CD2 3.61Å; Y391-H395 HydrophobicContact CE1-CB 4.26Å; Y391-H395 AromaticContact CE2-CD2 3.82Å; Y391-H395 AromaticContact CG-CD2 3.91Å; Y391-H395 WeakPolarHBondContact O-CB 3.35Å; Y391-H395 PolarHBondContact O-CD2 3Å; Y391-H395 PolarHBondContact O-N 2.83Å; Y391-V396 HydrophobicContact CD1-CG2 4.3Å; Y391-V396 HydrophobicContact CE1-CG2 4.13Å; Y391-S432 WeakPolarHBondContact CB-OG 3.45Å; Y391-S432 WeakPolarHBondContact CD2-OG 3.43Å; Y391-S432 PolarHBondContact N-O 3.18Å; Y391-N433 WeakPolarHBondContact CB-ND2 3.38Å; Y391-N433 WeakPolarHBondContact CD1-ND2 3.33Å; Y391-N433 WeakPolarHBondContact CD2-ND2 3.43Å; Y391-W472 HydrophobicContact CD2-CH2 4.3Å; Y391-W472 HydrophobicContact CE2-CH2 4.24Å; Y391-L507 HydrophobicContact CE2-CD1 4.06Å; Y391-L507 HydrophobicContact CE2-CD2 4.08Å
392	H	93.7	Very high	91.8	Very high	79 Å²	79	57.1 Å²	57.1	37%	0.366	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-41.9	179.7	-179.6	-90.9	0	0	0	111	S388 S389 L390 V396 A397	S388-H392 PolarHBondContact OG-ND1 3.4Å; S389-H392 WeakPolarHBondContact O-CB 3.33Å; S389-H392 PolarHBondContact O-N 3.34Å; S389-H392 PolarHBondContact OG-N 2.86Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.04Å; H392-V396 WeakPolarHBondContact O-CB 3.44Å; H392-V396 PolarHBondContact O-N 3.29Å; H392-V396 VanDerWaalsContact O-N 3.16Å; H392-A397 PolarHBondContact O-N 2.9Å
393	H	94.1	Very high	91.7	Very high	37 Å²	37	57.4 Å²	57.4	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-45.6	175.1	-77.9	-70.7	0	0	0	113.1	S388 S389 L390 D398 T399 F401 L437	S388-H393 PolarHBondContact OG-CD2 3.09Å; S388-H393 PolarHBondContact OG-NE2 3.12Å; S389-H393 PolarHBondContact O-CD2 3.36Å; S389-H393 PolarHBondContact O-N 3.36Å; S389-H393 VanDerWaalsContact O-N 3.1Å; L390-H393 PolarHBondContact O-N 2.78Å; H393-D398 PolarHBondContact O-N 2.83Å; H393-T399 PolarHBondContact ND1-OG1 3.13Å; H393-T399 WeakPolarHBondContact O-CB 3.46Å; H393-T399 PolarHBondContact O-N 3.05Å; H393-T399 PolarHBondContact O-OG1 3.18Å; H393-F401 HydrophobicContact CB-CE2 3.9Å; H393-F401 HydrophobicContact CB-CZ 3.9Å; H393-L437 HydrophobicContact CB-CD1 4.47Å
394	L	93.3	Very high	91.6	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-77.6	-45.6	-176.9	-63.8	176.9	0	0	0	113.3	L390 F401 E501 L502	L390-L394 HydrophobicContact CD1-CD1 3.9Å; L390-L394 HydrophobicContact CD1-CD2 4.48Å; L390-L394 HydrophobicContact CD1-CG 3.94Å; L390-L394 HydrophobicContact CD2-CD1 4.45Å; L390-L394 HydrophobicContact CG-CD1 3.86Å; L390-L394 HydrophobicContact CG-CG 4.28Å; L390-L394 WeakPolarHBondContact O-CG 3.06Å; L390-L394 PolarHBondContact O-N 2.83Å; L394-F401 HydrophobicContact CD2-CD2 4.21Å; L394-F401 HydrophobicContact CD2-CE2 4.22Å; L394-E501 HydrophobicContact CD1-CB 3.89Å; L394-L502 HydrophobicContact CD1-CD2 4.28Å
395	H	92.4	Very high	91.6	Very high	49 Å²	49	60.1 Å²	60.1	23%	0.227	31%	0.314	C	S	.	.	H	α-helix	trans	-112.8	-1.1	-164.9	-48.4	-66	0	0	0	115	Y391 E501	Y391-H395 AromaticContact CD2-CD2 3.61Å; Y391-H395 HydrophobicContact CE1-CB 4.26Å; Y391-H395 AromaticContact CE2-CD2 3.82Å; Y391-H395 AromaticContact CG-CD2 3.91Å; Y391-H395 WeakPolarHBondContact O-CB 3.35Å; Y391-H395 PolarHBondContact O-CD2 3Å; Y391-H395 PolarHBondContact O-N 2.83Å; H395-E501 IonicContact CD2-OE1 3.91Å; H395-E501 IonicContact CE1-OE1 3.37Å; H395-E501 IonicContact NE2-OE1 2.78Å; H395-E501 PolarHBondContact NE2-OE1 3.46Å
396	V	92.3	Very high	91.7	Very high	92 Å²	92	60.3 Å²	60.3	56%	0.558	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-47.3	-179.4	-174.7	0	0	0	0	111.8	Y391 H392	Y391-V396 HydrophobicContact CD1-CG2 4.3Å; Y391-V396 HydrophobicContact CE1-CG2 4.13Å; H392-V396 WeakPolarHBondContact O-CB 3.44Å; H392-V396 PolarHBondContact O-N 3.29Å; H392-V396 VanDerWaalsContact O-N 3.16Å
397	A	92.1	Very high	92	Very high	50 Å²	50	55 Å²	55	41%	0.413	29%	0.289	S	S	.	.	S	Bend	trans	-94.3	-7.3	-179.5	0	0	0	0	0	114	H392 T399	H392-A397 PolarHBondContact O-N 2.9Å; A397-T399 PolarHBondContact O-N 2.83Å
398	D	89.7	Confident	92.6	Very high	121 Å²	121	55 Å²	55	65%	0.647	28%	0.28	S	S	*	.			trans	43.7	49.6	-174.5	-168	25.6	0	0	0	112.5	H393 R400	H393-D398 PolarHBondContact O-N 2.83Å; D398-R400 PolarHBondContact O-N 3.33Å
399	T	91	Very high	92.8	Very high	46 Å²	46	53.9 Å²	53.9	28%	0.282	27%	0.272	S	S	.	.			trans	-69.6	114.2	-176.1	-55.5	0	0	0	0	109.4	H393 A397 F401	H393-T399 PolarHBondContact ND1-OG1 3.13Å; H393-T399 WeakPolarHBondContact O-CB 3.46Å; H393-T399 PolarHBondContact O-N 3.05Å; H393-T399 PolarHBondContact O-OG1 3.18Å; A397-T399 PolarHBondContact O-N 2.83Å; T399-F401 HydrophobicContact CG2-CD1 4.38Å; T399-F401 HydrophobicContact CG2-CD2 4.49Å; T399-F401 HydrophobicContact CG2-CE1 3.76Å; T399-F401 HydrophobicContact CG2-CE2 3.9Å; T399-F401 HydrophobicContact CG2-CZ 3.49Å; T399-F401 VanDerWaalsContact CG2-CZ 3.49Å; T399-F401 VanDerWaalsContact O-CD2 3.28Å; T399-F401 WeakPolarHBondContact O-CD2 3.42Å; T399-F401 PolarHBondContact O-N 3.42Å
400	R	89.4	Confident	93	Very high	227 Å²	227	52.9 Å²	52.9	86%	0.857	27%	0.265	S	S	*	.			trans	-72.1	109	177.6	-63.8	-176.3	-179.8	-176.3	-0.4	110.7	D398	D398-R400 PolarHBondContact O-N 3.33Å
401	F	91	Very high	93	Very high	35 Å²	35	54.7 Å²	54.7	15%	0.154	27%	0.272	C	S	.	.			trans	-101.6	143.7	168.9	-60.1	-69.4	0	0	0	110.5	H393 L394 T399 Q405 L406 L437 L441	H393-F401 HydrophobicContact CB-CE2 3.9Å; H393-F401 HydrophobicContact CB-CZ 3.9Å; L394-F401 HydrophobicContact CD2-CD2 4.21Å; L394-F401 HydrophobicContact CD2-CE2 4.22Å; T399-F401 HydrophobicContact CG2-CD1 4.38Å; T399-F401 HydrophobicContact CG2-CD2 4.49Å; T399-F401 HydrophobicContact CG2-CE1 3.76Å; T399-F401 HydrophobicContact CG2-CE2 3.9Å; T399-F401 HydrophobicContact CG2-CZ 3.49Å; T399-F401 VanDerWaalsContact CG2-CZ 3.49Å; T399-F401 VanDerWaalsContact O-CD2 3.28Å; T399-F401 WeakPolarHBondContact O-CD2 3.42Å; T399-F401 PolarHBondContact O-N 3.42Å; F401-Q405 VanDerWaalsContact CA-OE1 3.3Å; F401-Q405 HydrophobicContact CB-CB 4.19Å; F401-Q405 HydrophobicContact CD1-CB 4.44Å; F401-L406 HydrophobicContact CB-CD2 3.77Å; F401-L406 HydrophobicContact CB-CG 3.76Å; F401-L406 HydrophobicContact CD2-CD2 4.03Å; F401-L406 HydrophobicContact CG-CD2 4.23Å; F401-L437 HydrophobicContact CE1-CD1 4.24Å; F401-L437 HydrophobicContact CE2-CD1 4.47Å; F401-L437 HydrophobicContact CZ-CD1 3.69Å; F401-L441 HydrophobicContact CD1-CD1 4.44Å; F401-L441 HydrophobicContact CE1-CD1 4.43Å; F401-L441 HydrophobicContact CE1-CD2 3.76Å
402	D	90.7	Very high	93.2	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	26%	0.264	S	S	.	.			trans	-74.7	165.4	167.2	73.4	53.4	0	0	0	111.4	V404 Q405 L406	D402-V404 PolarHBondContact O-N 3.36Å; D402-V404 VanDerWaalsContact OD1-CA 3.27Å; D402-V404 WeakPolarHBondContact OD1-CA 3.49Å; D402-V404 VanDerWaalsContact OD1-CB 3.23Å; D402-V404 WeakPolarHBondContact OD1-CB 3.42Å; D402-V404 PolarHBondContact OD1-N 2.93Å; D402-Q405 PolarHBondContact O-N 3.35Å; D402-Q405 PolarHBondContact OD1-N 3.17Å; D402-Q405 VanDerWaalsContact OD2-CD 3.27Å; D402-Q405 WeakPolarHBondContact OD2-CG 3.44Å; D402-L406 WeakPolarHBondContact O-CG 3.48Å; D402-L406 PolarHBondContact O-N 3.15Å
403	M	90.8	Very high	93.4	Very high	29 Å²	29	48.7 Å²	48.7	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-26.5	-177.6	-172.1	57.8	62.3	0	0	112.9	I407 M503 N537 C538	M403-I407 HydrophobicContact CG-CD1 3.85Å; M403-I407 WeakPolarHBondContact O-CB 3.43Å; M403-I407 WeakPolarHBondContact O-CD1 3.3Å; M403-I407 WeakPolarHBondContact O-CG1 3.43Å; M403-I407 PolarHBondContact O-N 2.84Å; M403-I407 VanDerWaalsContact O-N 3.1Å; M403-I407 HydrophobicContact SD-CD1 4Å; M403-I407 HydrophobicContact SD-CG1 4.29Å; M403-M503 HydrophobicContact SD-CE 4.09Å; M403-M503 HydrophobicContact SD-SD 4.05Å; M403-N537 VanDerWaalsContact CE-OD1 3.24Å; M403-N537 WeakPolarHBondContact CE-OD1 3.36Å; M403-C538 HydrophobicContact CE-CB 4.48Å
404	V	91	Very high	93.6	Very high	62 Å²	62	47 Å²	47	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-73.7	-42.4	177.4	-175.8	0	0	0	0	110.2	D402 I407 D408 L574	D402-V404 PolarHBondContact O-N 3.36Å; D402-V404 VanDerWaalsContact OD1-CA 3.27Å; D402-V404 WeakPolarHBondContact OD1-CA 3.49Å; D402-V404 VanDerWaalsContact OD1-CB 3.23Å; D402-V404 WeakPolarHBondContact OD1-CB 3.42Å; D402-V404 PolarHBondContact OD1-N 2.93Å; V404-I407 PolarHBondContact O-N 3.41Å; V404-D408 WeakPolarHBondContact O-CB 3.35Å; V404-D408 PolarHBondContact O-N 3.28Å; V404-L574 HydrophobicContact CG2-CD1 4.37Å
405	Q	93.3	Very high	93.8	Very high	67 Å²	67	48.5 Å²	48.5	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-47.2	173.3	-69.7	172.1	-16.2	0	0	111.7	F401 D402 I407 D408 V409 L441	F401-Q405 VanDerWaalsContact CA-OE1 3.3Å; F401-Q405 HydrophobicContact CB-CB 4.19Å; F401-Q405 HydrophobicContact CD1-CB 4.44Å; D402-Q405 PolarHBondContact O-N 3.35Å; D402-Q405 PolarHBondContact OD1-N 3.17Å; D402-Q405 VanDerWaalsContact OD2-CD 3.27Å; D402-Q405 WeakPolarHBondContact OD2-CG 3.44Å; Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.13Å; Q405-D408 PolarHBondContact O-N 3.44Å; Q405-V409 WeakPolarHBondContact O-CG2 3.38Å; Q405-V409 PolarHBondContact O-N 3.42Å; Q405-L441 HydrophobicContact CB-CD1 4.26Å; Q405-L441 HydrophobicContact CG-CD1 3.96Å
406	L	94.4	Very high	94.1	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-42.4	176.5	-69.5	169.8	0	0	0	111.9	F401 D402 A410 L502 M503	F401-L406 HydrophobicContact CB-CD2 3.77Å; F401-L406 HydrophobicContact CB-CG 3.76Å; F401-L406 HydrophobicContact CD2-CD2 4.03Å; F401-L406 HydrophobicContact CG-CD2 4.23Å; D402-L406 WeakPolarHBondContact O-CG 3.48Å; D402-L406 PolarHBondContact O-N 3.15Å; L406-A410 WeakPolarHBondContact O-CB 3.41Å; L406-A410 PolarHBondContact O-N 3.23Å; L406-L502 WeakPolarHBondContact CD1-O 3.43Å; L406-L502 HydrophobicContact CD2-CB 4.33Å; L406-L502 HydrophobicContact CD2-CD2 3.65Å; L406-M503 HydrophobicContact CB-CE 3.77Å; L406-M503 HydrophobicContact CD1-CE 4.35Å
407	I	94.1	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-33	177.6	-71.1	169.9	0	0	0	111.5	M403 V404 Q405 R411 P539 M542 I567 L570 L574	M403-I407 HydrophobicContact CG-CD1 3.85Å; M403-I407 WeakPolarHBondContact O-CB 3.43Å; M403-I407 WeakPolarHBondContact O-CD1 3.3Å; M403-I407 WeakPolarHBondContact O-CG1 3.43Å; M403-I407 PolarHBondContact O-N 2.84Å; M403-I407 VanDerWaalsContact O-N 3.1Å; M403-I407 HydrophobicContact SD-CD1 4Å; M403-I407 HydrophobicContact SD-CG1 4.29Å; V404-I407 PolarHBondContact O-N 3.41Å; Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.13Å; I407-R411 WeakPolarHBondContact O-CB 3.31Å; I407-R411 PolarHBondContact O-N 3.1Å; I407-P539 HydrophobicContact CD1-CG 3.94Å; I407-M542 HydrophobicContact CG1-CE 3.9Å; I407-M542 HydrophobicContact CG2-CE 4.4Å; I407-I567 HydrophobicContact CG2-CG2 4.04Å; I407-L570 HydrophobicContact CD1-CD2 3.86Å; I407-L570 HydrophobicContact CD1-CG 4.36Å; I407-L570 HydrophobicContact CG1-CD2 4.43Å; I407-L570 HydrophobicContact CG2-CD2 4.4Å; I407-L574 HydrophobicContact CB-CD1 4.36Å; I407-L574 HydrophobicContact CD1-CD1 3.63Å; I407-L574 HydrophobicContact CD1-CD2 4.17Å; I407-L574 HydrophobicContact CD1-CG 4.44Å; I407-L574 HydrophobicContact CG2-CD1 4.17Å
408	D	94.9	Very high	94.6	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	20%	0.199	C	C	.	.	H	α-helix	trans	-72.3	-39.8	174.5	-160.6	72.6	0	0	0	112.6	V404 Q405 A410 R411 Q412 Q571	V404-D408 WeakPolarHBondContact O-CB 3.35Å; V404-D408 PolarHBondContact O-N 3.28Å; Q405-D408 PolarHBondContact O-N 3.44Å; D408-A410 VanDerWaalsContact C-N 3.32Å; D408-A410 PolarHBondContact O-N 3.4Å; D408-R411 WeakPolarHBondContact O-CB 3.28Å; D408-R411 PolarHBondContact O-N 2.85Å; D408-R411 VanDerWaalsContact O-N 3.16Å; D408-R411 IonicContact OD1-CZ 3.11Å; D408-R411 IonicContact OD1-NE 2.7Å; D408-R411 PolarHBondContact OD1-NE 2.73Å; D408-R411 IonicContact OD1-NH2 3.75Å; D408-R411 PolarHBondContact OD1-NH2 3.2Å; D408-R411 IonicContact OD2-NH2 2.75Å; D408-R411 PolarHBondContact OD2-NH2 3.02Å; D408-Q412 WeakPolarHBondContact O-CB 3.32Å; D408-Q412 WeakPolarHBondContact O-CG 3.36Å; D408-Q412 PolarHBondContact O-N 3.2Å; D408-Q412 PolarHBondContact OD2-NE2 2.84Å; D408-Q571 PolarHBondContact OD1-NE2 3.28Å
409	V	96.4	Very high	95	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-43.3	171	169.8	0	0	0	0	110.7	L390 Q405 R411 T413 L437 V443 L502	L390-V409 HydrophobicContact CD1-CG1 4.2Å; L390-V409 HydrophobicContact CD2-CG1 4.18Å; Q405-V409 WeakPolarHBondContact O-CG2 3.38Å; Q405-V409 PolarHBondContact O-N 3.42Å; V409-R411 PolarHBondContact O-N 3.5Å; V409-T413 VanDerWaalsContact O-CB 3.32Å; V409-T413 WeakPolarHBondContact O-CB 3.43Å; V409-T413 PolarHBondContact O-N 3.47Å; V409-T413 PolarHBondContact O-OG1 3.43Å; V409-L437 HydrophobicContact CG1-CD2 4.13Å; V409-L437 HydrophobicContact CG2-CD2 3.98Å; V409-V443 HydrophobicContact CB-CG2 4.31Å; V409-V443 HydrophobicContact CG1-CG2 3.96Å; V409-V443 HydrophobicContact CG2-CG2 4.36Å; V409-L502 HydrophobicContact CB-CD2 4.46Å; V409-L502 HydrophobicContact CG1-CD1 4.33Å; V409-L502 HydrophobicContact CG1-CD2 3.98Å
410	A	97.5	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-45.5	173	0	0	0	0	0	112	L406 D408 T413 A414 Y495 L499 L502 M542 I567	L406-A410 WeakPolarHBondContact O-CB 3.41Å; L406-A410 PolarHBondContact O-N 3.23Å; D408-A410 VanDerWaalsContact C-N 3.32Å; D408-A410 PolarHBondContact O-N 3.4Å; A410-T413 PolarHBondContact O-N 3.15Å; A410-A414 PolarHBondContact O-N 2.9Å; A410-Y495 PolarHBondContact O-OH 3.1Å; A410-L499 HydrophobicContact CB-CD2 3.61Å; A410-L502 HydrophobicContact CB-CD1 4Å; A410-M542 HydrophobicContact CB-CE 4.09Å; A410-I567 HydrophobicContact CB-CD1 4.47Å
411	R	97.4	Very high	95.4	Very high	38 Å²	38	25.4 Å²	25.4	14%	0.143	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-51.9	178.4	-171.6	-170.2	62	69.1	9.3	112	I407 D408 V409 T413 A414 Q415 L564 I567	I407-R411 WeakPolarHBondContact O-CB 3.31Å; I407-R411 PolarHBondContact O-N 3.1Å; D408-R411 WeakPolarHBondContact O-CB 3.28Å; D408-R411 PolarHBondContact O-N 2.85Å; D408-R411 VanDerWaalsContact O-N 3.16Å; D408-R411 IonicContact OD1-CZ 3.11Å; D408-R411 IonicContact OD1-NE 2.7Å; D408-R411 PolarHBondContact OD1-NE 2.73Å; D408-R411 IonicContact OD1-NH2 3.75Å; D408-R411 PolarHBondContact OD1-NH2 3.2Å; D408-R411 IonicContact OD2-NH2 2.75Å; D408-R411 PolarHBondContact OD2-NH2 3.02Å; V409-R411 PolarHBondContact O-N 3.5Å; R411-T413 VanDerWaalsContact C-N 3.3Å; R411-T413 PolarHBondContact O-N 3.18Å; R411-A414 WeakPolarHBondContact O-CB 3.43Å; R411-A414 PolarHBondContact O-N 3.07Å; R411-A414 VanDerWaalsContact O-N 3.15Å; R411-Q415 VanDerWaalsContact NH1-NE2 3.14Å; R411-Q415 WeakPolarHBondContact O-CG 3.45Å; R411-Q415 PolarHBondContact O-N 3.4Å; R411-L564 HydrophobicContact CG-CD1 3.92Å; R411-I567 HydrophobicContact CB-CG2 3.63Å; R411-I567 HydrophobicContact CG-CG2 4.05Å
412	Q	97.9	Very high	95.6	Very high	19 Å²	19	27.4 Å²	27.4	9%	0.089	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-37.7	179.5	-72.5	-171.7	59.5	0	0	111.9	N365 D408 Q415 G416 L441 V443	N365-Q412 WeakPolarHBondContact CB-O 3.27Å; N365-Q412 PolarHBondContact ND2-OE1 3.16Å; N365-Q412 PolarHBondContact OD1-O 3.49Å; D408-Q412 WeakPolarHBondContact O-CB 3.32Å; D408-Q412 WeakPolarHBondContact O-CG 3.36Å; D408-Q412 PolarHBondContact O-N 3.2Å; D408-Q412 PolarHBondContact OD2-NE2 2.84Å; Q412-Q415 PolarHBondContact O-N 3.48Å; Q412-G416 PolarHBondContact O-N 3.16Å; Q412-L441 PolarHBondContact NE2-O 2.87Å; Q412-V443 HydrophobicContact CB-CB 3.75Å; Q412-V443 HydrophobicContact CB-CG2 3.67Å
413	T	98.4	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-44.3	173	-55.9	0	0	0	0	110.9	V409 A410 R411 Q415 G416 M417 I435 I445 Y495	V409-T413 VanDerWaalsContact O-CB 3.32Å; V409-T413 WeakPolarHBondContact O-CB 3.43Å; V409-T413 PolarHBondContact O-N 3.47Å; V409-T413 PolarHBondContact O-OG1 3.43Å; A410-T413 PolarHBondContact O-N 3.15Å; R411-T413 VanDerWaalsContact C-N 3.3Å; R411-T413 PolarHBondContact O-N 3.18Å; T413-Q415 VanDerWaalsContact C-N 3.34Å; T413-Q415 PolarHBondContact O-N 3.13Å; T413-G416 PolarHBondContact O-N 2.97Å; T413-M417 PolarHBondContact O-N 3.31Å; T413-I435 HydrophobicContact CG2-CD1 3.72Å; T413-I435 HydrophobicContact CG2-CG1 4.43Å; T413-I445 HydrophobicContact CG2-CD1 4.14Å; T413-I445 WeakPolarHBondContact O-CD1 3.39Å; T413-Y495 HydrophobicContact CG2-CD2 3.85Å; T413-Y495 HydrophobicContact CG2-CE2 3.76Å
414	A	98.4	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-38.6	174.6	0	0	0	0	0	112.5	A410 R411 M417 D418 Y495 F560 I563 L564 I567	A410-A414 PolarHBondContact O-N 2.9Å; R411-A414 WeakPolarHBondContact O-CB 3.43Å; R411-A414 PolarHBondContact O-N 3.07Å; R411-A414 VanDerWaalsContact O-N 3.15Å; A414-M417 PolarHBondContact O-N 3.07Å; A414-D418 WeakPolarHBondContact O-CB 3.43Å; A414-D418 PolarHBondContact O-N 2.86Å; A414-Y495 HydrophobicContact CB-CE2 4.29Å; A414-F560 HydrophobicContact CB-CD1 4.07Å; A414-F560 HydrophobicContact CB-CE1 4.47Å; A414-I563 HydrophobicContact CB-CG2 4.19Å; A414-L564 HydrophobicContact CB-CD1 4.48Å; A414-I567 HydrophobicContact CB-CD1 4.27Å
415	Q	97.8	Very high	95.5	Very high	46 Å²	46	31.6 Å²	31.6	22%	0.215	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-42.4	175.2	-71.5	-175.4	-44.8	0	0	112.6	R411 Q412 T413 Y419 L564	R411-Q415 VanDerWaalsContact NH1-NE2 3.14Å; R411-Q415 WeakPolarHBondContact O-CG 3.45Å; R411-Q415 PolarHBondContact O-N 3.4Å; Q412-Q415 PolarHBondContact O-N 3.48Å; T413-Q415 VanDerWaalsContact C-N 3.34Å; T413-Q415 PolarHBondContact O-N 3.13Å; Q415-Y419 WeakPolarHBondContact O-CB 3.31Å; Q415-Y419 PolarHBondContact O-N 2.93Å; Q415-Y419 VanDerWaalsContact O-N 3.1Å; Q415-L564 HydrophobicContact CG-CD1 3.55Å; Q415-L564 HydrophobicContact CG-CD2 3.85Å; Q415-L564 HydrophobicContact CG-CG 4.37Å
416	G	97.6	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-44.6	174.2	0	0	0	0	0	112.2	Q412 T413 Y419 L420	Q412-G416 PolarHBondContact O-N 3.16Å; T413-G416 PolarHBondContact O-N 2.97Å; G416-Y419 WeakPolarHBondContact O-CB 3.41Å; G416-Y419 PolarHBondContact O-N 3.05Å; G416-L420 PolarHBondContact O-N 3.3Å; G416-L420 VanDerWaalsContact O-N 3.13Å
417	M	98.2	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-39.5	179	-71.9	-53.2	-61	0	0	113.5	T413 A414 Y419 L420 H421 H427 L430 I445 D491 F560	T413-M417 PolarHBondContact O-N 3.31Å; A414-M417 PolarHBondContact O-N 3.07Å; M417-Y419 VanDerWaalsContact C-N 3.29Å; M417-Y419 PolarHBondContact O-N 3.14Å; M417-L420 PolarHBondContact O-N 3.17Å; M417-L420 VanDerWaalsContact O-N 3.17Å; M417-L420 HydrophobicContact SD-CD1 4.01Å; M417-H421 PolarHBondContact O-N 3.01Å; M417-H427 HydrophobicContact CE-CB 3.78Å; M417-H427 HydrophobicContact SD-CB 4.24Å; M417-L430 HydrophobicContact CE-CD2 4.15Å; M417-L430 HydrophobicContact CG-CD1 4.46Å; M417-L430 HydrophobicContact CG-CD2 3.94Å; M417-L430 HydrophobicContact SD-CD1 3.99Å; M417-L430 HydrophobicContact SD-CD2 3.96Å; M417-L430 HydrophobicContact SD-CG 4.48Å; M417-I445 HydrophobicContact CG-CD1 3.85Å; M417-I445 HydrophobicContact SD-CD1 3.97Å; M417-D491 HydrophobicContact CE-CB 3.78Å; M417-D491 WeakPolarHBondContact CE-OD2 3.2Å; M417-F560 HydrophobicContact CB-CD1 3.63Å; M417-F560 HydrophobicContact CB-CD2 3.82Å; M417-F560 HydrophobicContact CB-CE1 3.42Å; M417-F560 VanDerWaalsContact CB-CE1 3.42Å; M417-F560 HydrophobicContact CB-CE2 3.61Å; M417-F560 HydrophobicContact CB-CG 3.84Å; M417-F560 HydrophobicContact CB-CZ 3.4Å; M417-F560 VanDerWaalsContact CB-CZ 3.4Å; M417-F560 HydrophobicContact CE-CE2 4.12Å; M417-F560 HydrophobicContact CE-CZ 4.32Å; M417-F560 HydrophobicContact CG-CE1 3.94Å; M417-F560 HydrophobicContact CG-CE2 4.23Å; M417-F560 HydrophobicContact CG-CZ 3.72Å
418	D	97.8	Very high	95.1	Very high	43 Å²	43	31.7 Å²	31.7	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-44.8	172.8	-168.6	50	0	0	0	111.1	A414 L420 H421 A422 F560 P561	A414-D418 WeakPolarHBondContact O-CB 3.43Å; A414-D418 PolarHBondContact O-N 2.86Å; D418-L420 PolarHBondContact O-N 2.92Å; D418-H421 PolarHBondContact O-N 3.43Å; D418-A422 VanDerWaalsContact O-CB 3.26Å; D418-A422 WeakPolarHBondContact O-CB 3.34Å; D418-A422 PolarHBondContact O-N 2.88Å; D418-F560 HydrophobicContact CB-CB 3.84Å; D418-P561 WeakPolarHBondContact OD1-CD 3.47Å; D418-P561 VanDerWaalsContact OD1-CG 3.23Å; D418-P561 WeakPolarHBondContact OD1-CG 3.43Å
419	Y	97	Very high	94.8	Very high	42 Å²	42	30.6 Å²	30.6	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-43.6	174.8	176.5	-87.5	0	0	0	112.9	K360 T361 R362 H363 I366 Q415 G416 M417 K423	K360-Y419 PolarHBondContact O-OH 3.22Å; T361-Y419 HydrophobicContact CG2-CE1 4.34Å; R362-Y419 PolarHBondContact N-OH 3.33Å; R362-Y419 WeakPolarHBondContact O-CE2 3.47Å; R362-Y419 PolarHBondContact O-OH 2.95Å; R362-Y419 VanDerWaalsContact O-OH 3.12Å; H363-Y419 HydrophobicContact CB-CD1 3.74Å; H363-Y419 HydrophobicContact CB-CD2 3.78Å; H363-Y419 HydrophobicContact CB-CE1 3.95Å; H363-Y419 HydrophobicContact CB-CE2 3.95Å; H363-Y419 HydrophobicContact CB-CG 3.66Å; H363-Y419 AromaticContact CD2-CD2 3.76Å; H363-Y419 AromaticContact CG-CD2 3.89Å; H363-Y419 AromaticContact CG-CG 3.76Å; I366-Y419 HydrophobicContact CG1-CD1 4.03Å; Q415-Y419 WeakPolarHBondContact O-CB 3.31Å; Q415-Y419 PolarHBondContact O-N 2.93Å; Q415-Y419 VanDerWaalsContact O-N 3.1Å; G416-Y419 WeakPolarHBondContact O-CB 3.41Å; G416-Y419 PolarHBondContact O-N 3.05Å; M417-Y419 VanDerWaalsContact C-N 3.29Å; M417-Y419 PolarHBondContact O-N 3.14Å; Y419-K423 HydrophobicContact CE1-CG 4.15Å; Y419-K423 WeakPolarHBondContact O-CG 3.37Å; Y419-K423 PolarHBondContact O-N 2.93Å
420	L	94.7	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-44.9	177.6	-70.2	176.8	0	0	0	111.5	T361 I366 G416 M417 D418 A422 K423 N424 I425 F448	T361-L420 HydrophobicContact CG2-CD2 4.11Å; I366-L420 HydrophobicContact CD1-CD1 3.8Å; I366-L420 HydrophobicContact CD1-CD2 4.1Å; I366-L420 HydrophobicContact CD1-CG 3.76Å; I366-L420 HydrophobicContact CG1-CD2 4.43Å; I366-L420 HydrophobicContact CG1-CG 4.46Å; G416-L420 PolarHBondContact O-N 3.3Å; G416-L420 VanDerWaalsContact O-N 3.13Å; M417-L420 PolarHBondContact O-N 3.17Å; M417-L420 VanDerWaalsContact O-N 3.17Å; M417-L420 HydrophobicContact SD-CD1 4.01Å; D418-L420 PolarHBondContact O-N 2.92Å; L420-A422 PolarHBondContact O-N 2.93Å; L420-K423 CarbonylContact O-C 3.5Å; L420-K423 WeakPolarHBondContact O-CA 3.47Å; L420-K423 WeakPolarHBondContact O-CB 3.34Å; L420-K423 PolarHBondContact O-N 2.75Å; L420-N424 PolarHBondContact O-N 3.27Å; L420-I425 CarbonylContact C-O 3.57Å; L420-I425 HydrophobicContact CB-CB 4.26Å; L420-I425 HydrophobicContact CD2-CB 4.32Å; L420-I425 HydrophobicContact CD2-CD1 4.16Å; L420-I425 HydrophobicContact CD2-CG2 4.23Å; L420-I425 WeakPolarHBondContact O-CB 3.35Å; L420-I425 PolarHBondContact O-N 3.14Å; L420-F448 HydrophobicContact CD1-CB 4.02Å; L420-F448 HydrophobicContact CD1-CD2 4.23Å; L420-F448 HydrophobicContact CD1-CG 4.01Å; L420-F448 HydrophobicContact CD2-CD2 3.75Å; L420-F448 HydrophobicContact CD2-CE2 3.83Å; L420-F448 HydrophobicContact CD2-CG 4.3Å; L420-F448 HydrophobicContact CD2-CZ 4.46Å
421	H	95.1	Very high	94.6	Very high	15 Å²	15	31.4 Å²	31.4	7%	0.069	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-37.9	179.4	-73.3	-162.5	0	0	0	111.7	M417 D418 K423 N424 I425 F488 D491 F560	M417-H421 PolarHBondContact O-N 3.01Å; D418-H421 PolarHBondContact O-N 3.43Å; H421-K423 PolarHBondContact O-N 2.81Å; H421-N424 WeakPolarHBondContact O-CA 3.33Å; H421-N424 PolarHBondContact O-N 3.1Å; H421-I425 PolarHBondContact CD2-O 3.45Å; H421-F488 HydrophobicContact CB-CD1 4.11Å; H421-F488 HydrophobicContact CB-CE1 4.18Å; H421-F488 AromaticContact CD2-CD1 3.63Å; H421-F488 VanDerWaalsContact CE1-CA 3.44Å; H421-F488 WeakPolarHBondContact CE1-CA 3.41Å; H421-F488 AromaticContact CE1-CD1 3.68Å; H421-F488 AromaticContact CE1-CG 3.92Å; H421-F488 PolarHBondContact CE1-O 3.18Å; H421-F488 AromaticContact CG-CD1 3.51Å; H421-F488 WeakPolarHBondContact ND1-CB 3.21Å; H421-F488 AromaticContact ND1-CD1 3.55Å; H421-F488 AromaticContact ND1-CG 3.62Å; H421-F488 AromaticContact NE2-CD1 3.72Å; H421-D491 IonicContact CD2-OD2 3.18Å; H421-D491 IonicContact CE1-OD2 2.74Å; H421-D491 IonicContact NE2-OD2 3.35Å; H421-D491 PolarHBondContact NE2-OD2 3.38Å; H421-F560 AromaticContact CE1-CD2 3.52Å; H421-F560 AromaticContact CE1-CE2 3.48Å; H421-F560 VanDerWaalsContact CE1-CE2 3.48Å; H421-F560 WeakPolarHBondContact CE1-CE2 3.35Å; H421-F560 AromaticContact ND1-CD2 3.43Å; H421-F560 WeakPolarHBondContact ND1-CD2 3.43Å; H421-F560 AromaticContact ND1-CE2 3.91Å
422	A	94.5	Very high	94.5	Very high	78 Å²	78	29.6 Å²	29.6	65%	0.645	15%	0.153	S	C	*	.	H	α-helix	trans	-63.6	-19	171.1	0	0	0	0	0	113.7	D418 L420	D418-A422 VanDerWaalsContact O-CB 3.26Å; D418-A422 WeakPolarHBondContact O-CB 3.34Å; D418-A422 PolarHBondContact O-N 2.88Å; L420-A422 PolarHBondContact O-N 2.93Å
423	K	91.1	Very high	94.2	Very high	111 Å²	111	31 Å²	31	48%	0.483	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.9	169.9	-65.4	-65.9	-177	-174.9	0	113.5	Y419 L420 H421 I425	Y419-K423 HydrophobicContact CE1-CG 4.15Å; Y419-K423 WeakPolarHBondContact O-CG 3.37Å; Y419-K423 PolarHBondContact O-N 2.93Å; L420-K423 CarbonylContact O-C 3.5Å; L420-K423 WeakPolarHBondContact O-CA 3.47Å; L420-K423 WeakPolarHBondContact O-CB 3.34Å; L420-K423 PolarHBondContact O-N 2.75Å; H421-K423 PolarHBondContact O-N 2.81Å; K423-I425 VanDerWaalsContact C-N 3.3Å; K423-I425 HydrophobicContact CB-CD1 3.91Å; K423-I425 HydrophobicContact CB-CG1 4.04Å
424	N	90.2	Very high	94	Very high	133 Å²	133	31.6 Å²	31.6	71%	0.711	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.9	-171.2	-58.7	-60.2	0	0	0	114	L420 H421	L420-N424 PolarHBondContact O-N 3.27Å; H421-N424 WeakPolarHBondContact O-CA 3.33Å; H421-N424 PolarHBondContact O-N 3.1Å
425	I	89.5	Confident	93.9	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.067	16%	0.164	C	C	.	.			trans	-104.2	118.5	176.6	-57.8	172.3	0	0	0	108.8	V357 T361 L420 H421 K423 F448	V357-I425 HydrophobicContact CG1-CD1 3.81Å; V357-I425 HydrophobicContact CG1-CG1 3.93Å; T361-I425 HydrophobicContact CG2-CD1 3.55Å; L420-I425 CarbonylContact C-O 3.57Å; L420-I425 HydrophobicContact CB-CB 4.26Å; L420-I425 HydrophobicContact CD2-CB 4.32Å; L420-I425 HydrophobicContact CD2-CD1 4.16Å; L420-I425 HydrophobicContact CD2-CG2 4.23Å; L420-I425 WeakPolarHBondContact O-CB 3.35Å; L420-I425 PolarHBondContact O-N 3.14Å; H421-I425 PolarHBondContact CD2-O 3.45Å; K423-I425 VanDerWaalsContact C-N 3.3Å; K423-I425 HydrophobicContact CB-CD1 3.91Å; K423-I425 HydrophobicContact CB-CG1 4.04Å; I425-F448 HydrophobicContact CG2-CD2 4.3Å
426	I	90.6	Very high	93.8	Very high	39 Å²	39	32.2 Å²	32.2	20%	0.2	17%	0.167	C	C	.	.			trans	-89.4	130.7	169.7	-51.9	170.4	0	0	0	107.7	R428 F488 D491	I426-R428 HydrophobicContact CB-CG 4.09Å; I426-R428 HydrophobicContact CG2-CG 3.65Å; I426-F488 HydrophobicContact CG1-CD1 3.86Å; I426-F488 HydrophobicContact CG1-CE1 3.85Å; I426-D491 WeakPolarHBondContact CA-OD2 3.47Å; I426-D491 WeakPolarHBondContact CG2-OD2 3.37Å
427	H	92.1	Very high	93.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.168	C	C	.	.			trans	-73.6	-41.5	-178.3	-173.7	-29.8	0	0	0	112.1	M417 D429 L430 I445 G446 F448 D491	M417-H427 HydrophobicContact CE-CB 3.78Å; M417-H427 HydrophobicContact SD-CB 4.24Å; H427-D429 VanDerWaalsContact CE1-C 3.49Å; H427-D429 PolarHBondContact CE1-O 3.22Å; H427-D429 VanDerWaalsContact CE1-O 3.29Å; H427-D429 PolarHBondContact O-N 3.41Å; H427-L430 HydrophobicContact CB-CB 4.44Å; H427-L430 PolarHBondContact ND1-N 3.07Å; H427-I445 WeakPolarHBondContact NE2-CG2 3.49Å; H427-G446 PolarHBondContact CE1-O 2.69Å; H427-G446 PolarHBondContact NE2-O 3.46Å; H427-F448 HydrophobicContact CB-CB 4.21Å; H427-F448 WeakPolarHBondContact ND1-CA 3.39Å; H427-D491 PolarHBondContact N-OD1 3.47Å; H427-D491 PolarHBondContact N-OD2 3.34Å
428	R	89.5	Confident	93.3	Very high	48 Å²	48	34 Å²	34	18%	0.181	18%	0.175	C	C	.	.	S	Bend	trans	65.2	-3.8	176.2	-53.3	172.9	163.2	-132.2	0.4	116.5	I426 A451 E464 Y486 D491	I426-R428 HydrophobicContact CB-CG 4.09Å; I426-R428 HydrophobicContact CG2-CG 3.65Å; R428-A451 HydrophobicContact CB-CB 3.71Å; R428-A451 HydrophobicContact CG-CB 4.3Å; R428-E464 IonicContact CZ-OE1 3.25Å; R428-E464 IonicContact NH1-OE1 2.58Å; R428-E464 PolarHBondContact NH1-OE1 3.23Å; R428-Y486 HydrophobicContact CB-CD1 3.64Å; R428-Y486 HydrophobicContact CB-CE1 3.85Å; R428-Y486 HydrophobicContact CB-CG 4.3Å; R428-Y486 HydrophobicContact CG-CD1 3.75Å; R428-Y486 HydrophobicContact CG-CE1 4.42Å; R428-Y486 HydrophobicContact CG-CG 3.96Å; R428-Y486 WeakPolarHBondContact O-CE1 3.34Å; R428-D491 PolarHBondContact N-OD1 2.83Å
429	D	89.1	Confident	92.6	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.07	19%	0.194	C	C	.	.			trans	-154.1	36.7	-177.2	-162.4	15.1	0	0	0	110.2	H427 K431 N434 K454	H427-D429 VanDerWaalsContact CE1-C 3.49Å; H427-D429 PolarHBondContact CE1-O 3.22Å; H427-D429 VanDerWaalsContact CE1-O 3.29Å; H427-D429 PolarHBondContact O-N 3.41Å; D429-K431 PolarHBondContact O-N 2.84Å; D429-K431 WeakPolarHBondContact OD1-CE 3.44Å; D429-K431 IonicContact OD1-NZ 2.95Å; D429-K431 PolarHBondContact OD1-NZ 3.11Å; D429-K431 IonicContact OD2-NZ 3.96Å; D429-K431 PolarHBondContact OD2-NZ 3.31Å; D429-N434 PolarHBondContact O-ND2 3.46Å; D429-K454 IonicContact OD2-NZ 2.67Å; D429-K454 PolarHBondContact OD2-NZ 3.3Å
430	L	94.8	Very high	91.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	23%	0.225	C	C	.	.			trans	-70	127.4	176	179.8	66.8	0	0	0	109.1	M417 H427 I435 I445 A494 Y495	M417-L430 HydrophobicContact CE-CD2 4.15Å; M417-L430 HydrophobicContact CG-CD1 4.46Å; M417-L430 HydrophobicContact CG-CD2 3.94Å; M417-L430 HydrophobicContact SD-CD1 3.99Å; M417-L430 HydrophobicContact SD-CD2 3.96Å; M417-L430 HydrophobicContact SD-CG 4.48Å; H427-L430 HydrophobicContact CB-CB 4.44Å; H427-L430 PolarHBondContact ND1-N 3.07Å; L430-I435 HydrophobicContact CD1-CD1 4.06Å; L430-I435 HydrophobicContact CD1-CG1 4.14Å; L430-I445 HydrophobicContact CD1-CG2 4.21Å; L430-A494 HydrophobicContact CB-CB 4.06Å; L430-A494 WeakPolarHBondContact O-CB 3.32Å; L430-Y495 HydrophobicContact CD2-CD2 4.5Å
431	K	94.3	Very high	91.4	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.078	24%	0.238	C	C	.	.	S	Bend	trans	-167.6	161.6	179.5	57.6	-167	176	-153.3	0	109.9	D429 N433 N434 I435 S469 W472	D429-K431 PolarHBondContact O-N 2.84Å; D429-K431 WeakPolarHBondContact OD1-CE 3.44Å; D429-K431 IonicContact OD1-NZ 2.95Å; D429-K431 PolarHBondContact OD1-NZ 3.11Å; D429-K431 IonicContact OD2-NZ 3.96Å; D429-K431 PolarHBondContact OD2-NZ 3.31Å; K431-N433 HydrophobicContact CD-CB 4.41Å; K431-N433 HydrophobicContact CG-CB 4.15Å; K431-N433 PolarHBondContact O-N 2.81Å; K431-N433 VanDerWaalsContact O-N 3.09Å; K431-N434 HydrophobicContact CG-CB 4.23Å; K431-N434 PolarHBondContact O-N 2.92Å; K431-I435 WeakPolarHBondContact O-CG1 3.48Å; K431-I435 PolarHBondContact O-N 2.78Å; K431-S469 WeakPolarHBondContact CD-OG 3.38Å; K431-S469 PolarHBondContact NZ-OG 3.26Å; K431-W472 HydrophobicContact CB-CB 4.49Å; K431-W472 HydrophobicContact CB-CD2 3.54Å; K431-W472 HydrophobicContact CB-CE3 4.1Å; K431-W472 HydrophobicContact CB-CG 3.71Å; K431-W472 HydrophobicContact CB-CZ2 4.14Å
432	S	95.2	Very high	91.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.9	179.8	59	0	0	0	0	114.3	L390 Y391 N434 E501	L390-S432 PolarHBondContact N-O 3.27Å; Y391-S432 WeakPolarHBondContact CB-OG 3.45Å; Y391-S432 WeakPolarHBondContact CD2-OG 3.43Å; Y391-S432 PolarHBondContact N-O 3.18Å; S432-N434 VanDerWaalsContact C-N 3.33Å; S432-E501 WeakPolarHBondContact CB-OE1 3.03Å; S432-E501 WeakPolarHBondContact CB-OE2 3.25Å; S432-E501 VanDerWaalsContact OG-CD 3.31Å; S432-E501 PolarHBondContact OG-OE1 3.22Å; S432-E501 PolarHBondContact OG-OE2 3.32Å
433	N	92.6	Very high	91.5	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.9	171.2	-54.2	100.4	0	0	0	113.6	S389 Y391 K431	S389-N433 WeakPolarHBondContact CB-O 3.41Å; Y391-N433 WeakPolarHBondContact CB-ND2 3.38Å; Y391-N433 WeakPolarHBondContact CD1-ND2 3.33Å; Y391-N433 WeakPolarHBondContact CD2-ND2 3.43Å; K431-N433 HydrophobicContact CD-CB 4.41Å; K431-N433 HydrophobicContact CG-CB 4.15Å; K431-N433 PolarHBondContact O-N 2.81Å; K431-N433 VanDerWaalsContact O-N 3.09Å
434	N	93.8	Very high	91.7	Very high	12 Å²	12	36 Å²	36	6%	0.064	20%	0.198	C	C	.	.	S	Bend	trans	-99.2	1.6	-176.1	-70.5	-6.6	0	0	0	112.4	D429 K431 S432 G446 D447	D429-N434 PolarHBondContact O-ND2 3.46Å; K431-N434 HydrophobicContact CG-CB 4.23Å; K431-N434 PolarHBondContact O-N 2.92Å; S432-N434 VanDerWaalsContact C-N 3.33Å; N434-G446 PolarHBondContact O-N 3.12Å; N434-D447 HydrophobicContact CB-CB 4.42Å
435	I	96.5	Very high	92	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.4	174.3	-62.1	169.7	0	0	0	106.3	S389 L390 T413 L430 K431 V443 V498	S389-I435 CarbonylContact C-O 3.5Å; S389-I435 WeakPolarHBondContact CA-O 3.47Å; L390-I435 HydrophobicContact CB-CB 4.15Å; L390-I435 HydrophobicContact CB-CG2 4.08Å; L390-I435 HydrophobicContact CD2-CB 4.48Å; L390-I435 HydrophobicContact CD2-CD1 4.37Å; L390-I435 HydrophobicContact CD2-CG2 4.12Å; L390-I435 PolarHBondContact N-O 2.98Å; T413-I435 HydrophobicContact CG2-CD1 3.72Å; T413-I435 HydrophobicContact CG2-CG1 4.43Å; L430-I435 HydrophobicContact CD1-CD1 4.06Å; L430-I435 HydrophobicContact CD1-CG1 4.14Å; K431-I435 WeakPolarHBondContact O-CG1 3.48Å; K431-I435 PolarHBondContact O-N 2.78Å; I435-V443 HydrophobicContact CG2-CG1 3.71Å; I435-V498 HydrophobicContact CD1-CB 4.46Å; I435-V498 HydrophobicContact CD1-CG1 3.75Å; I435-V498 HydrophobicContact CD1-CG2 3.95Å
436	F	95.6	Very high	92.1	Very high	60 Å²	60	29 Å²	29	26%	0.263	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.5	179.1	-60.9	-93.6	0	0	0	110.4	V443 K444	F436-V443 CarbonylContact O-C 3.58Å; F436-V443 WeakPolarHBondContact O-CA 3.14Å; F436-K444 HydrophobicContact CB-CB 4.26Å; F436-K444 PolarHBondContact N-O 3.14Å; F436-K444 PolarHBondContact O-N 3.43Å
437	L	95.2	Very high	91.8	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.6	169.2	-58.3	-175	0	0	0	107.6	G387 S388 L390 H393 F401 V409 L441 V443	G387-L437 VanDerWaalsContact CA-O 3.32Å; G387-L437 WeakPolarHBondContact CA-O 3.42Å; S388-L437 PolarHBondContact O-N 3.47Å; L390-L437 HydrophobicContact CD1-CD1 4.13Å; H393-L437 HydrophobicContact CB-CD1 4.47Å; F401-L437 HydrophobicContact CE1-CD1 4.24Å; F401-L437 HydrophobicContact CE2-CD1 4.47Å; F401-L437 HydrophobicContact CZ-CD1 3.69Å; V409-L437 HydrophobicContact CG1-CD2 4.13Å; V409-L437 HydrophobicContact CG2-CD2 3.98Å; L437-L441 HydrophobicContact CD1-CD2 4.17Å; L437-V443 HydrophobicContact CD2-CG2 3.91Å
438	H	89.1	Confident	91	Very high	30 Å²	30	30.1 Å²	30.1	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	162.8	176.2	-178.3	51.8	0	0	0	109.4	G440 L441 T442 K444	H438-G440 PolarHBondContact O-N 3.32Å; H438-L441 CarbonylContact O-C 3.25Å; H438-L441 PolarHBondContact O-N 3.46Å; H438-L441 VanDerWaalsContact O-N 3.11Å; H438-T442 PolarHBondContact N-O 3.29Å; H438-T442 PolarHBondContact O-N 3.19Å; H438-K444 HydrophobicContact CB-CG 4.01Å
439	E	84.1	Confident	89.7	Confident	135 Å²	135	28.6 Å²	28.6	63%	0.631	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-5	110.2	175.6	-69.6	167.3	-151.1	0	0	115.8	T442	E439-T442 PolarHBondContact O-OG1 3.29Å
440	G	78.6	Confident	88.6	Confident	80 Å²	80	28.4 Å²	28.4	83%	0.825	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	30.5	178.6	0	0	0	0	0	115.3	H438 T442	H438-G440 PolarHBondContact O-N 3.32Å; G440-T442 VanDerWaalsContact C-N 3.25Å; G440-T442 PolarHBondContact O-N 2.87Å
441	L	87.1	Confident	86.7	Confident	52 Å²	52	28.7 Å²	28.7	27%	0.272	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	26.9	-176.5	-51	176.6	0	0	0	113.9	F401 Q405 Q412 L437 H438 V443	F401-L441 HydrophobicContact CD1-CD1 4.44Å; F401-L441 HydrophobicContact CE1-CD1 4.43Å; F401-L441 HydrophobicContact CE1-CD2 3.76Å; Q405-L441 HydrophobicContact CB-CD1 4.26Å; Q405-L441 HydrophobicContact CG-CD1 3.96Å; Q412-L441 PolarHBondContact NE2-O 2.87Å; L437-L441 HydrophobicContact CD1-CD2 4.17Å; H438-L441 CarbonylContact O-C 3.25Å; H438-L441 PolarHBondContact O-N 3.46Å; H438-L441 VanDerWaalsContact O-N 3.11Å; L441-V443 PolarHBondContact O-N 3.03Å
442	T	95.1	Very high	84.7	Confident	41 Å²	41	29.9 Å²	29.9	25%	0.252	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	113.3	169.5	-56.8	0	0	0	0	109.5	V364 H438 E439 G440	V364-T442 HydrophobicContact CG2-CG2 4.21Å; H438-T442 PolarHBondContact N-O 3.29Å; H438-T442 PolarHBondContact O-N 3.19Å; E439-T442 PolarHBondContact O-OG1 3.29Å; G440-T442 VanDerWaalsContact C-N 3.25Å; G440-T442 PolarHBondContact O-N 2.87Å
443	V	97.4	Very high	82.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.7	177.3	172.3	0	0	0	0	110.6	N365 V409 Q412 I435 F436 L437 L441 I445	N365-V443 WeakPolarHBondContact CA-O 3.3Å; N365-V443 PolarHBondContact ND2-O 3.15Å; V409-V443 HydrophobicContact CB-CG2 4.31Å; V409-V443 HydrophobicContact CG1-CG2 3.96Å; V409-V443 HydrophobicContact CG2-CG2 4.36Å; Q412-V443 HydrophobicContact CB-CB 3.75Å; Q412-V443 HydrophobicContact CB-CG2 3.67Å; I435-V443 HydrophobicContact CG2-CG1 3.71Å; F436-V443 CarbonylContact O-C 3.58Å; F436-V443 WeakPolarHBondContact O-CA 3.14Å; L437-V443 HydrophobicContact CD2-CG2 3.91Å; L441-V443 PolarHBondContact O-N 3.03Å; V443-I445 HydrophobicContact CG1-CG1 4.26Å
444	K	96	Very high	81.1	Confident	23 Å²	23	29.4 Å²	29.4	10%	0.1	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.5	170.9	-65.5	-73.6	-177.9	174.9	0	110.1	V364 L367 Q383 F436 H438	V364-K444 WeakPolarHBondContact O-CD 3.26Å; V364-K444 WeakPolarHBondContact O-CE 3.39Å; V364-K444 PolarHBondContact O-NZ 3.47Å; L367-K444 HydrophobicContact CD1-CB 4.19Å; Q383-K444 VanDerWaalsContact OE1-NZ 3.11Å; F436-K444 HydrophobicContact CB-CB 4.26Å; F436-K444 PolarHBondContact N-O 3.14Å; F436-K444 PolarHBondContact O-N 3.43Å; H438-K444 HydrophobicContact CB-CG 4.01Å
445	I	95.7	Very high	79.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.7	175.2	-53.2	177.2	0	0	0	109.5	N365 I366 L367 T413 M417 H427 L430 V443	N365-I445 PolarHBondContact O-N 3.23Å; I366-I445 HydrophobicContact CD1-CB 3.98Å; I366-I445 HydrophobicContact CD1-CD1 4.36Å; L367-I445 VanDerWaalsContact CB-O 3.29Å; L367-I445 WeakPolarHBondContact CB-O 3.46Å; L367-I445 PolarHBondContact N-O 2.95Å; T413-I445 HydrophobicContact CG2-CD1 4.14Å; T413-I445 WeakPolarHBondContact O-CD1 3.39Å; M417-I445 HydrophobicContact CG-CD1 3.85Å; M417-I445 HydrophobicContact SD-CD1 3.97Å; H427-I445 WeakPolarHBondContact NE2-CG2 3.49Å; L430-I445 HydrophobicContact CD1-CG2 4.21Å; V443-I445 HydrophobicContact CG1-CG1 4.26Å
446	G	91	Very high	76.9	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	21%	0.208	C	C	.	.			trans	-115.1	-179.1	178.2	0	0	0	0	0	113.2	H427 N434 F448	H427-G446 PolarHBondContact CE1-O 2.69Å; H427-G446 PolarHBondContact NE2-O 3.46Å; N434-G446 PolarHBondContact O-N 3.12Å; G446-F448 PolarHBondContact O-N 3.35Å
447	D	83.9	Confident	74.8	Confident	51 Å²	51	37.8 Å²	37.8	27%	0.273	21%	0.205	S	C	.	.	S	Bend	trans	57.7	12.5	174.4	-88.5	13.8	0	0	0	117.2	K336 N434	K336-D447 IonicContact NZ-OD1 3.76Å; K336-D447 PolarHBondContact NZ-OD1 2.91Å; K336-D447 IonicContact NZ-OD2 3.18Å; K336-D447 PolarHBondContact NZ-OD2 3.07Å; N434-D447 HydrophobicContact CB-CB 4.42Å
448	F	75.9	Confident	72.5	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.053	23%	0.233	C	C	.	.			trans	-71.4	154.1	174.8	62.7	-86.9	0	0	0	113	L358 T361 I366 L420 I425 H427 G446 L450	L358-F448 HydrophobicContact CD2-CD2 3.74Å; L358-F448 HydrophobicContact CD2-CE2 3.43Å; L358-F448 VanDerWaalsContact CD2-CE2 3.43Å; L358-F448 HydrophobicContact CD2-CZ 4.27Å; T361-F448 HydrophobicContact CG2-CE2 3.9Å; T361-F448 HydrophobicContact CG2-CZ 4.37Å; I366-F448 HydrophobicContact CG2-CD1 4.43Å; I366-F448 HydrophobicContact CG2-CE1 3.44Å; I366-F448 VanDerWaalsContact CG2-CE1 3.44Å; I366-F448 HydrophobicContact CG2-CE2 4.42Å; I366-F448 HydrophobicContact CG2-CZ 3.44Å; I366-F448 VanDerWaalsContact CG2-CZ 3.44Å; L420-F448 HydrophobicContact CD1-CB 4.02Å; L420-F448 HydrophobicContact CD1-CD2 4.23Å; L420-F448 HydrophobicContact CD1-CG 4.01Å; L420-F448 HydrophobicContact CD2-CD2 3.75Å; L420-F448 HydrophobicContact CD2-CE2 3.83Å; L420-F448 HydrophobicContact CD2-CG 4.3Å; L420-F448 HydrophobicContact CD2-CZ 4.46Å; I425-F448 HydrophobicContact CG2-CD2 4.3Å; H427-F448 HydrophobicContact CB-CB 4.21Å; H427-F448 WeakPolarHBondContact ND1-CA 3.39Å; G446-F448 PolarHBondContact O-N 3.35Å; F448-L450 PolarHBondContact O-N 3.37Å
449	G	63.1	Low	70.1	Confident	15 Å²	15	43.5 Å²	43.5	16%	0.155	26%	0.259	C	S	.	.	S	Bend	trans	74.5	-25.2	174.3	0	0	0	0	0	115.7	A451 T452	G449-A451 PolarHBondContact O-N 2.59Å; G449-T452 PolarHBondContact O-OG1 3.01Å
450	L	64.5	Low	67.6	Low	10 Å²	10	42.2 Å²	42.2	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.2	-176.1	-56.2	-176.8	0	0	0	114.9	M355 L358 I380 F448 V453 K454	M355-L450 HydrophobicContact CE-CD2 4.1Å; L358-L450 HydrophobicContact CD1-CD2 3.92Å; I380-L450 HydrophobicContact CD1-CD1 3.98Å; I380-L450 HydrophobicContact CD1-CD2 3.41Å; I380-L450 VanDerWaalsContact CD1-CD2 3.41Å; I380-L450 HydrophobicContact CD1-CG 4.36Å; F448-L450 PolarHBondContact O-N 3.37Å; L450-V453 WeakPolarHBondContact O-CB 3.41Å; L450-V453 VanDerWaalsContact O-CG2 3.28Å; L450-V453 WeakPolarHBondContact O-CG2 3.29Å; L450-V453 PolarHBondContact O-N 2.89Å; L450-K454 WeakPolarHBondContact O-CG 3.32Å; L450-K454 PolarHBondContact O-N 3.23Å
451	A	55	Low	65.8	Low	8 Å²	8	45.2 Å²	45.2	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-75.7	-26.7	-173.9	0	0	0	0	0	114.7	R428 G449 V453 K454 T455	R428-A451 HydrophobicContact CB-CB 3.71Å; R428-A451 HydrophobicContact CG-CB 4.3Å; G449-A451 PolarHBondContact O-N 2.59Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 PolarHBondContact O-N 3.18Å; A451-K454 HydrophobicContact CB-CD 3.96Å; A451-K454 WeakPolarHBondContact O-CB 3.46Å; A451-K454 PolarHBondContact O-N 3.15Å; A451-T455 PolarHBondContact O-N 2.88Å; A451-T455 VanDerWaalsContact O-N 3.11Å; A451-T455 PolarHBondContact O-OG1 2.85Å
452	T	53.9	Low	63.7	Low	43 Å²	43	48.4 Å²	48.4	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-35	169.8	42.1	0	0	0	0	111.5	E354 G449 T455 R456	E354-T452 WeakPolarHBondContact OE1-CB 3.32Å; E354-T452 PolarHBondContact OE1-OG1 3.2Å; E354-T452 PolarHBondContact OE2-OG1 3.34Å; G449-T452 PolarHBondContact O-OG1 3.01Å; T452-T455 PolarHBondContact O-N 3.31Å; T452-R456 WeakPolarHBondContact O-CG 3.07Å; T452-R456 PolarHBondContact O-N 2.87Å; T452-R456 VanDerWaalsContact O-N 3.15Å
453	V	55.5	Low	61.1	Low	5 Å²	5	52.2 Å²	52.2	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-41.5	169.3	-109.6	0	0	0	0	111.8	F351 E354 L450 A451 T455 W457	F351-V453 HydrophobicContact CD2-CG1 4.26Å; E354-V453 PolarHBondContact OE1-N 3.12Å; E354-V453 WeakPolarHBondContact OE2-CB 3.47Å; E354-V453 WeakPolarHBondContact OE2-CG1 3.23Å; E354-V453 PolarHBondContact OE2-N 2.98Å; L450-V453 WeakPolarHBondContact O-CB 3.41Å; L450-V453 VanDerWaalsContact O-CG2 3.28Å; L450-V453 WeakPolarHBondContact O-CG2 3.29Å; L450-V453 PolarHBondContact O-N 2.89Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 PolarHBondContact O-N 3.18Å; V453-T455 PolarHBondContact O-N 2.83Å; V453-W457 HydrophobicContact CB-CH2 4.2Å; V453-W457 HydrophobicContact CB-CZ2 4Å; V453-W457 HydrophobicContact CG1-CH2 3.97Å; V453-W457 HydrophobicContact CG1-CZ2 3.39Å; V453-W457 HydrophobicContact CG2-CD2 4.15Å; V453-W457 HydrophobicContact CG2-CE3 3.84Å; V453-W457 HydrophobicContact CG2-CH2 3.25Å; V453-W457 HydrophobicContact CG2-CZ2 3.55Å; V453-W457 HydrophobicContact CG2-CZ3 3.39Å
454	K	55.6	Low	58.9	Low	33 Å²	33	53.8 Å²	53.8	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-48.6	172.8	-60.2	168.6	-166	-178.6	0	112.1	F321 D429 L450 A451	F321-K454 HydrophobicContact CD1-CD 3.8Å; F321-K454 HydrophobicContact CD1-CG 3.62Å; F321-K454 HydrophobicContact CD2-CD 4.43Å; F321-K454 HydrophobicContact CE1-CD 3.34Å; F321-K454 HydrophobicContact CE1-CG 3.65Å; F321-K454 HydrophobicContact CE2-CD 4.02Å; F321-K454 HydrophobicContact CG-CD 4.34Å; F321-K454 HydrophobicContact CG-CG 4.23Å; F321-K454 HydrophobicContact CZ-CD 3.46Å; F321-K454 VanDerWaalsContact CZ-CD 3.46Å; F321-K454 HydrophobicContact CZ-CG 4.26Å; D429-K454 IonicContact OD2-NZ 2.67Å; D429-K454 PolarHBondContact OD2-NZ 3.3Å; L450-K454 WeakPolarHBondContact O-CG 3.32Å; L450-K454 PolarHBondContact O-N 3.23Å; A451-K454 HydrophobicContact CB-CD 3.96Å; A451-K454 WeakPolarHBondContact O-CB 3.46Å; A451-K454 PolarHBondContact O-N 3.15Å
455	T	51.8	Low	56.3	Low	28 Å²	28	59.7 Å²	59.7	17%	0.172	34%	0.342	C	S	.	.	H	α-helix	trans	-73	-40.5	-172.5	-33	0	0	0	0	113	A451 T452 V453 W457 E464	A451-T455 PolarHBondContact O-N 2.88Å; A451-T455 VanDerWaalsContact O-N 3.11Å; A451-T455 PolarHBondContact O-OG1 2.85Å; T452-T455 PolarHBondContact O-N 3.31Å; V453-T455 PolarHBondContact O-N 2.83Å; T455-W457 PolarHBondContact O-N 3.21Å; T455-E464 HydrophobicContact CG2-CB 4.23Å; T455-E464 HydrophobicContact CG2-CG 3.48Å; T455-E464 VanDerWaalsContact CG2-CG 3.48Å
456	R	50.1	Low	54.1	Low	171 Å²	171	62 Å²	62	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-72.6	-7.4	-176.2	-72.3	-179.9	171.7	-172.8	-3	114.3	T452	T452-R456 WeakPolarHBondContact O-CG 3.07Å; T452-R456 PolarHBondContact O-N 2.87Å; T452-R456 VanDerWaalsContact O-N 3.15Å
457	W	52.2	Low	51.9	Low	50 Å²	50	65.3 Å²	65.3	19%	0.189	38%	0.38	C	S	.	.	H	α-helix	trans	-98.7	-17.3	-177.3	-63.9	-11.1	0	0	0	113.7	L338 V340 F351 F378 V453 T455 G459	L338-W457 HydrophobicContact CB-CH2 4.37Å; L338-W457 HydrophobicContact CB-CZ3 4.29Å; L338-W457 HydrophobicContact CD1-CH2 3.66Å; L338-W457 HydrophobicContact CD1-CZ3 4.21Å; V340-W457 HydrophobicContact CG2-CD2 3.85Å; V340-W457 HydrophobicContact CG2-CE3 3.38Å; V340-W457 HydrophobicContact CG2-CH2 3.57Å; V340-W457 HydrophobicContact CG2-CZ2 4.05Å; V340-W457 HydrophobicContact CG2-CZ3 3.22Å; F351-W457 HydrophobicContact CB-CZ2 4.46Å; F351-W457 HydrophobicContact CD2-CH2 4.42Å; F351-W457 HydrophobicContact CD2-CZ2 4.24Å; F378-W457 HydrophobicContact CD2-CH2 4.2Å; F378-W457 AromaticContact CD2-CZ2 3.93Å; F378-W457 HydrophobicContact CD2-CZ2 3.93Å; F378-W457 HydrophobicContact CE2-CZ2 4.27Å; V453-W457 HydrophobicContact CB-CH2 4.2Å; V453-W457 HydrophobicContact CB-CZ2 4Å; V453-W457 HydrophobicContact CG1-CH2 3.97Å; V453-W457 HydrophobicContact CG1-CZ2 3.39Å; V453-W457 HydrophobicContact CG2-CD2 4.15Å; V453-W457 HydrophobicContact CG2-CE3 3.84Å; V453-W457 HydrophobicContact CG2-CH2 3.25Å; V453-W457 HydrophobicContact CG2-CZ2 3.55Å; V453-W457 HydrophobicContact CG2-CZ3 3.39Å; T455-W457 PolarHBondContact O-N 3.21Å; W457-G459 PolarHBondContact O-N 3.15Å
458	S	47.7	Very low	50.5	Low	88 Å²	88	63.9 Å²	63.9	62%	0.615	38%	0.377	S	S	*	.	S	Bend	trans	-80.7	99.7	165.6	-63.6	0	0	0	0	108.7
459	G	37.8	Very low	50.6	Low	68 Å²	68	65.2 Å²	65.2	70%	0.701	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	155.4	-173.6	0	0	0	0	0	114.8	W457 Q461	W457-G459 PolarHBondContact O-N 3.15Å; G459-Q461 PolarHBondContact O-N 2.97Å
460	A	32.6	Very low	51.7	Low	107 Å²	107	65.2 Å²	65.2	88%	0.884	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-6.6	168	0	0	0	0	0	120.1
461	Q	40.2	Very low	53.1	Low	144 Å²	144	66.3 Å²	66.3	67%	0.673	39%	0.39	S	S	*	.			trans	-162.2	137.4	160.9	-115.8	163.1	68.7	0	0	111.4	G459 L463	G459-Q461 PolarHBondContact O-N 2.97Å; Q461-L463 PolarHBondContact O-N 2.8Å
462	P	41.7	Very low	55	Low	119 Å²	119	66.8 Å²	66.8	77%	0.773	39%	0.39	S	S	*	.			trans	-77.1	44.1	174	35.7	-36.9	0	0	0	111.5	E464	P462-E464 PolarHBondContact O-N 3.04Å
463	L	41.3	Very low	56.9	Low	121 Å²	121	65.5 Å²	65.5	63%	0.634	38%	0.382	S	S	*	.			trans	-78.2	103.7	170.4	-159.1	73.9	0	0	0	106.8	Q461 Q465	Q461-L463 PolarHBondContact O-N 2.8Å; L463-Q465 PolarHBondContact O-N 3.05Å
464	E	50.8	Low	58.7	Low	32 Å²	32	65.4 Å²	65.4	15%	0.15	38%	0.381	C	S	.	.			trans	-62.3	79.1	169.9	-79.1	-176.6	155.8	0	0	109.2	R428 T455 P462 M480 Y486	R428-E464 IonicContact CZ-OE1 3.25Å; R428-E464 IonicContact NH1-OE1 2.58Å; R428-E464 PolarHBondContact NH1-OE1 3.23Å; T455-E464 HydrophobicContact CG2-CB 4.23Å; T455-E464 HydrophobicContact CG2-CG 3.48Å; T455-E464 VanDerWaalsContact CG2-CG 3.48Å; P462-E464 PolarHBondContact O-N 3.04Å; E464-M480 HydrophobicContact CB-CE 3.42Å; E464-M480 VanDerWaalsContact CB-CE 3.42Å; E464-M480 HydrophobicContact CB-SD 4.42Å; E464-M480 WeakPolarHBondContact O-CE 3.44Å; E464-Y486 WeakPolarHBondContact OE2-CD2 3.4Å; E464-Y486 WeakPolarHBondContact OE2-CE2 3.4Å
465	Q	42.9	Very low	60.6	Low	148 Å²	148	63.9 Å²	63.9	69%	0.692	38%	0.375	S	S	*	.			trans	-56.5	140.6	168.3	-76.6	-164.5	12.3	0	0	108.5	L463 S467	L463-Q465 PolarHBondContact O-N 3.05Å; Q465-S467 PolarHBondContact O-N 3.13Å
466	P	48.7	Very low	62.6	Low	49 Å²	49	63 Å²	63	32%	0.318	37%	0.369	S	S	.	.			trans	-69.1	67.8	178	27.9	-35	0	0	0	112.2	G468 M473	P466-G468 VanDerWaalsContact C-N 3.29Å; P466-G468 PolarHBondContact O-N 3.44Å; P466-G468 VanDerWaalsContact O-N 3.11Å; P466-M473 HydrophobicContact CB-CE 3.34Å; P466-M473 HydrophobicContact CB-SD 4.09Å
467	S	44.2	Very low	64.6	Low	70 Å²	70	55 Å²	55	49%	0.49	34%	0.339	S	S	.	.			trans	-86.2	71	178.3	-168.7	0	0	0	0	109.4	Q465	Q465-S467 PolarHBondContact O-N 3.13Å
468	G	55.4	Low	66.4	Low	21 Å²	21	53.6 Å²	53.6	22%	0.216	34%	0.335	C	S	.	.	S	Bend	trans	-155.4	176.1	-175.2	0	0	0	0	0	112.6	P466 V470	P466-G468 VanDerWaalsContact C-N 3.29Å; P466-G468 PolarHBondContact O-N 3.44Å; P466-G468 VanDerWaalsContact O-N 3.11Å; G468-V470 PolarHBondContact O-N 2.84Å
469	S	77	Confident	68.4	Low	40 Å²	40	53.4 Å²	53.4	28%	0.28	32%	0.321	S	S	.	.			trans	-80.4	101.9	173	-56.3	0	0	0	0	108.4	K431 L471 W472	K431-S469 WeakPolarHBondContact CD-OG 3.38Å; K431-S469 PolarHBondContact NZ-OG 3.26Å; S469-L471 PolarHBondContact O-N 3.21Å; S469-W472 VanDerWaalsContact CB-CZ3 3.48Å; S469-W472 PolarHBondContact O-N 3.41Å
470	V	87.8	Confident	70.7	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.085	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-48.5	-37.3	-169.6	174.1	0	0	0	0	114.1	G468 W472 M473 R515 I518 I519	G468-V470 PolarHBondContact O-N 2.84Å; V470-W472 PolarHBondContact O-N 2.69Å; V470-W472 VanDerWaalsContact O-N 3.11Å; V470-M473 WeakPolarHBondContact O-CB 3.38Å; V470-M473 PolarHBondContact O-N 3.18Å; V470-R515 HydrophobicContact CG2-CG 4.12Å; V470-I518 HydrophobicContact CG1-CG2 4Å; V470-I519 HydrophobicContact CB-CG1 4.43Å; V470-I519 HydrophobicContact CG1-CG1 3.61Å; V470-I519 HydrophobicContact CG2-CD1 3.96Å; V470-I519 HydrophobicContact CG2-CG1 3.88Å
471	L	93.2	Very high	73.3	Confident	34 Å²	34	54.6 Å²	54.6	18%	0.178	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.9	-173.9	-52.9	178.9	0	0	0	114.1	S469 L507 P508 Y509 I518	S469-L471 PolarHBondContact O-N 3.21Å; L471-L507 HydrophobicContact CD1-CB 4.21Å; L471-L507 HydrophobicContact CD1-CD1 4.2Å; L471-L507 HydrophobicContact CD1-CD2 4.21Å; L471-L507 HydrophobicContact CD1-CG 4.45Å; L471-P508 HydrophobicContact CB-CG 4.01Å; L471-Y509 HydrophobicContact CD2-CD2 3.79Å; L471-Y509 HydrophobicContact CD2-CE2 4.47Å; L471-I518 HydrophobicContact CD2-CD1 4.12Å
472	W	95.3	Very high	75.4	Confident	17 Å²	17	50.5 Å²	50.5	6%	0.064	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97.7	-2.9	179.8	-63	-96.1	0	0	0	113.3	Y391 K431 S469 V470 A494 V497 E501 L507	Y391-W472 HydrophobicContact CD2-CH2 4.3Å; Y391-W472 HydrophobicContact CE2-CH2 4.24Å; K431-W472 HydrophobicContact CB-CB 4.49Å; K431-W472 HydrophobicContact CB-CD2 3.54Å; K431-W472 HydrophobicContact CB-CE3 4.1Å; K431-W472 HydrophobicContact CB-CG 3.71Å; K431-W472 HydrophobicContact CB-CZ2 4.14Å; S469-W472 VanDerWaalsContact CB-CZ3 3.48Å; S469-W472 PolarHBondContact O-N 3.41Å; V470-W472 PolarHBondContact O-N 2.69Å; V470-W472 VanDerWaalsContact O-N 3.11Å; W472-A494 HydrophobicContact CB-CB 4.19Å; W472-A494 WeakPolarHBondContact O-CA 3.37Å; W472-A494 WeakPolarHBondContact O-CB 3.39Å; W472-V497 HydrophobicContact CD2-CG1 4.41Å; W472-V497 HydrophobicContact CG-CB 4.31Å; W472-V497 HydrophobicContact CG-CG1 3.98Å; W472-E501 WeakPolarHBondContact CZ2-OE2 3.46Å; W472-E501 PolarHBondContact NE1-OE2 3.34Å; W472-L507 HydrophobicContact CH2-CD2 3.88Å; W472-L507 HydrophobicContact CZ2-CD2 3.94Å
473	M	92.9	Very high	77.3	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.084	27%	0.273	C	S	.	.			trans	-79.7	126.3	-175.8	-67	-178.2	61.4	0	0	111.3	P466 V470 V477 I478 Y493	P466-M473 HydrophobicContact CB-CE 3.34Å; P466-M473 HydrophobicContact CB-SD 4.09Å; V470-M473 WeakPolarHBondContact O-CB 3.38Å; V470-M473 PolarHBondContact O-N 3.18Å; M473-V477 HydrophobicContact CE-CB 4.39Å; M473-V477 HydrophobicContact CE-CG1 3.75Å; M473-I478 HydrophobicContact CB-CD1 4.07Å; M473-I478 HydrophobicContact CB-CG1 3.71Å; M473-I478 HydrophobicContact CE-CG1 4.2Å; M473-Y493 VanDerWaalsContact O-CE1 3.3Å; M473-Y493 WeakPolarHBondContact O-CE1 3.26Å
474	A	94.6	Very high	79.3	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	27%	0.272	C	S	.	.			trans	-64.9	150.4	172.7	0	0	0	0	0	111.3	E476 V477 I478 Y493	A474-E476 VanDerWaalsContact C-N 3.27Å; A474-E476 VanDerWaalsContact CB-CD 3.48Å; A474-E476 VanDerWaalsContact CB-OE1 3.31Å; A474-E476 WeakPolarHBondContact CB-OE1 3.13Å; A474-E476 WeakPolarHBondContact CB-OE2 3.14Å; A474-E476 PolarHBondContact O-N 2.82Å; A474-V477 HydrophobicContact CB-CG2 4.16Å; A474-V477 CarbonylContact O-C 3.35Å; A474-V477 WeakPolarHBondContact O-CA 3.24Å; A474-V477 WeakPolarHBondContact O-CB 3.15Å; A474-V477 PolarHBondContact O-N 3.33Å; A474-I478 PolarHBondContact O-N 3.09Å; A474-Y493 VanDerWaalsContact CA-CD1 3.42Å; A474-Y493 HydrophobicContact CB-CD1 3.82Å; A474-Y493 HydrophobicContact CB-CD2 4.29Å; A474-Y493 HydrophobicContact CB-CG 3.67Å
475	A	93.7	Very high	81.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-33.9	-174.2	0	0	0	0	0	113.5	V477 I478 R479 V522 F552	A475-V477 VanDerWaalsContact C-N 3.33Å; A475-I478 PolarHBondContact O-N 2.78Å; A475-R479 WeakPolarHBondContact O-CG 3.39Å; A475-R479 PolarHBondContact O-N 3.14Å; A475-R479 PolarHBondContact O-NH1 3.2Å; A475-V522 HydrophobicContact CB-CG1 4.41Å; A475-V522 WeakPolarHBondContact CB-O 3.41Å; A475-F552 HydrophobicContact CB-CD2 3.66Å; A475-F552 HydrophobicContact CB-CE2 3.17Å; A475-F552 HydrophobicContact CB-CZ 3.91Å
476	E	93.9	Very high	83.4	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-32.3	173.4	69.9	-79.7	-170.8	0	0	113.2	A474 M480 P485 R557	A474-E476 VanDerWaalsContact C-N 3.27Å; A474-E476 VanDerWaalsContact CB-CD 3.48Å; A474-E476 VanDerWaalsContact CB-OE1 3.31Å; A474-E476 WeakPolarHBondContact CB-OE1 3.13Å; A474-E476 WeakPolarHBondContact CB-OE2 3.14Å; A474-E476 PolarHBondContact O-N 2.82Å; E476-M480 PolarHBondContact O-N 3.38Å; E476-M480 VanDerWaalsContact O-N 3.17Å; E476-P485 WeakPolarHBondContact O-CB 3.23Å; E476-R557 IonicContact OE1-CZ 2.81Å; E476-R557 IonicContact OE1-NH1 2.8Å; E476-R557 PolarHBondContact OE1-NH1 3.03Å; E476-R557 IonicContact OE1-NH2 3.64Å; E476-R557 PolarHBondContact OE1-NH2 3.32Å; E476-R557 IonicContact OE2-CZ 3.17Å; E476-R557 IonicContact OE2-NH1 3.8Å; E476-R557 IonicContact OE2-NH2 3.8Å; E476-R557 PolarHBondContact OE2-NH2 3.06Å
477	V	92.1	Very high	85.5	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-77.8	-28.7	174.2	-170.2	0	0	0	0	111.2	M473 A474 A475 M480 P485 Y486	M473-V477 HydrophobicContact CE-CB 4.39Å; M473-V477 HydrophobicContact CE-CG1 3.75Å; A474-V477 HydrophobicContact CB-CG2 4.16Å; A474-V477 CarbonylContact O-C 3.35Å; A474-V477 WeakPolarHBondContact O-CA 3.24Å; A474-V477 WeakPolarHBondContact O-CB 3.15Å; A474-V477 PolarHBondContact O-N 3.33Å; A475-V477 VanDerWaalsContact C-N 3.33Å; V477-M480 HydrophobicContact CG1-SD 4.47Å; V477-M480 WeakPolarHBondContact O-CG 3.4Å; V477-P485 HydrophobicContact CG2-CB 4.3Å; V477-Y486 HydrophobicContact CG1-CD1 4.04Å; V477-Y486 HydrophobicContact CG1-CD2 4.41Å; V477-Y486 HydrophobicContact CG1-CE1 3.45Å; V477-Y486 VanDerWaalsContact CG1-CE1 3.45Å; V477-Y486 HydrophobicContact CG1-CE2 3.86Å; V477-Y486 HydrophobicContact CG1-CG 4.49Å; V477-Y486 HydrophobicContact CG2-CD1 4.31Å; V477-Y486 HydrophobicContact CG2-CE1 4.46Å
478	I	90.9	Very high	88	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.108	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-41	171	-70.4	174.2	0	0	0	111	M473 A474 A475 I519 V522	M473-I478 HydrophobicContact CB-CD1 4.07Å; M473-I478 HydrophobicContact CB-CG1 3.71Å; M473-I478 HydrophobicContact CE-CG1 4.2Å; A474-I478 PolarHBondContact O-N 3.09Å; A475-I478 PolarHBondContact O-N 2.78Å; I478-I519 HydrophobicContact CG2-CG2 3.76Å; I478-I519 VanDerWaalsContact CG2-O 3.32Å; I478-I519 WeakPolarHBondContact CG2-O 3.42Å; I478-V522 HydrophobicContact CD1-CB 3.84Å; I478-V522 HydrophobicContact CD1-CG1 3.66Å
479	R	89.8	Confident	90	Very high	84 Å²	84	42.7 Å²	42.7	32%	0.317	22%	0.219	S	C	.	.	H	α-helix	trans	-72.2	-29.9	-178.7	-73.5	-168	-55.9	-79.7	-2	114.1	A475 Q481 G523	A475-R479 WeakPolarHBondContact O-CG 3.39Å; A475-R479 PolarHBondContact O-N 3.14Å; A475-R479 PolarHBondContact O-NH1 3.2Å; R479-Q481 HydrophobicContact CB-CG 4.1Å; R479-Q481 VanDerWaalsContact CD-OE1 3.29Å; R479-Q481 PolarHBondContact O-N 3.33Å; R479-G523 VanDerWaalsContact CD-O 3.27Å; R479-G523 WeakPolarHBondContact CD-O 3.24Å; R479-G523 WeakPolarHBondContact CG-O 3.31Å; R479-G523 PolarHBondContact NH1-O 2.86Å
480	M	85.8	Confident	90.8	Very high	54 Å²	54	41.1 Å²	41.1	27%	0.266	21%	0.208	S	C	.	.			trans	53.2	26.6	-178.3	-65.3	-55.9	-48.4	0	0	114.8	E464 E476 V477 P485	E464-M480 HydrophobicContact CB-CE 3.42Å; E464-M480 VanDerWaalsContact CB-CE 3.42Å; E464-M480 HydrophobicContact CB-SD 4.42Å; E464-M480 WeakPolarHBondContact O-CE 3.44Å; E476-M480 PolarHBondContact O-N 3.38Å; E476-M480 VanDerWaalsContact O-N 3.17Å; V477-M480 HydrophobicContact CG1-SD 4.47Å; V477-M480 WeakPolarHBondContact O-CG 3.4Å; M480-P485 HydrophobicContact CE-CG 3.47Å; M480-P485 VanDerWaalsContact CE-CG 3.47Å; M480-P485 HydrophobicContact SD-CG 3.58Å; M480-P485 VanDerWaalsContact SD-CG 3.58Å
481	Q	87.3	Confident	91.3	Very high	146 Å²	146	40.5 Å²	40.5	68%	0.682	21%	0.205	S	C	*	.			trans	-83.7	-31.1	-177.7	-74.8	169.7	-24.4	0	0	113.1	R479	R479-Q481 HydrophobicContact CB-CG 4.1Å; R479-Q481 VanDerWaalsContact CD-OE1 3.29Å; R479-Q481 PolarHBondContact O-N 3.33Å
482	D	85.2	Confident	91.5	Very high	58 Å²	58	38.9 Å²	38.9	31%	0.31	20%	0.196	S	C	.	.	S	Bend	trans	-78.3	147	175.3	-79.3	16.2	0	0	0	110.2	N484 P485 R554	D482-N484 PolarHBondContact O-N 3.49Å; D482-P485 HydrophobicContact CB-CB 4.39Å; D482-P485 WeakPolarHBondContact O-CD 3.24Å; D482-R554 IonicContact OD2-CZ 2.62Å; D482-R554 IonicContact OD2-NH1 3.23Å; D482-R554 PolarHBondContact OD2-NH1 3.19Å; D482-R554 IonicContact OD2-NH2 2.59Å; D482-R554 PolarHBondContact OD2-NH2 3.13Å
483	P	81	Confident	91.6	Very high	120 Å²	120	38.4 Å²	38.4	78%	0.779	19%	0.194	S	C	*	.	S	Bend	trans	-66.9	-18.8	176.8	28	-35.9	0	0	0	113.6
484	N	84.1	Confident	91.9	Very high	114 Å²	114	37.9 Å²	37.9	61%	0.61	19%	0.193	S	C	*	.			trans	-142	82.2	173.1	-68.9	-73.2	0	0	0	108.7	D482	D482-N484 PolarHBondContact O-N 3.49Å
485	P	89.4	Confident	92	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.192	C	C	.	.			trans	-76.1	-29.3	-177.8	29	-29.1	0	0	0	111.6	E476 V477 M480 D482 S487	E476-P485 WeakPolarHBondContact O-CB 3.23Å; V477-P485 HydrophobicContact CG2-CB 4.3Å; M480-P485 HydrophobicContact CE-CG 3.47Å; M480-P485 VanDerWaalsContact CE-CG 3.47Å; M480-P485 HydrophobicContact SD-CG 3.58Å; M480-P485 VanDerWaalsContact SD-CG 3.58Å; D482-P485 HydrophobicContact CB-CB 4.39Å; D482-P485 WeakPolarHBondContact O-CD 3.24Å; P485-S487 PolarHBondContact O-N 3.16Å
486	Y	90.2	Very high	92.2	Very high	33 Å²	33	37.8 Å²	37.8	13%	0.129	19%	0.192	C	C	.	.			trans	-68.4	119.6	170.7	-67.4	-79.2	0	0	0	111.3	R428 E464 V477 S490	R428-Y486 HydrophobicContact CB-CD1 3.64Å; R428-Y486 HydrophobicContact CB-CE1 3.85Å; R428-Y486 HydrophobicContact CB-CG 4.3Å; R428-Y486 HydrophobicContact CG-CD1 3.75Å; R428-Y486 HydrophobicContact CG-CE1 4.42Å; R428-Y486 HydrophobicContact CG-CG 3.96Å; R428-Y486 WeakPolarHBondContact O-CE1 3.34Å; E464-Y486 WeakPolarHBondContact OE2-CD2 3.4Å; E464-Y486 WeakPolarHBondContact OE2-CE2 3.4Å; V477-Y486 HydrophobicContact CG1-CD1 4.04Å; V477-Y486 HydrophobicContact CG1-CD2 4.41Å; V477-Y486 HydrophobicContact CG1-CE1 3.45Å; V477-Y486 VanDerWaalsContact CG1-CE1 3.45Å; V477-Y486 HydrophobicContact CG1-CE2 3.86Å; V477-Y486 HydrophobicContact CG1-CG 4.49Å; V477-Y486 HydrophobicContact CG2-CD1 4.31Å; V477-Y486 HydrophobicContact CG2-CE1 4.46Å; Y486-S490 WeakPolarHBondContact CA-OG 3.4Å
487	S	92.9	Very high	92.4	Very high	17 Å²	17	37.3 Å²	37.3	12%	0.119	19%	0.189	C	C	.	.			trans	-142.9	172.7	-175.9	58.4	0	0	0	0	110.3	P485 Q489 S490 D491	P485-S487 PolarHBondContact O-N 3.16Å; S487-Q489 PolarHBondContact O-N 2.75Å; S487-Q489 PolarHBondContact OG-N 3.25Å; S487-S490 PolarHBondContact N-OG 3.35Å; S487-S490 PolarHBondContact O-N 3.11Å; S487-S490 VanDerWaalsContact O-N 3.14Å; S487-S490 PolarHBondContact O-OG 3.23Å; S487-S490 PolarHBondContact OG-N 3.32Å; S487-S490 VanDerWaalsContact OG-N 3.12Å; S487-D491 PolarHBondContact O-N 3.46Å
488	F	95.7	Very high	92.7	Very high	59 Å²	59	37.1 Å²	37.1	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-57	-36.7	169.2	-62.1	-34.3	0	0	0	111.2	H421 I426 S490 D491 V492 L559	H421-F488 HydrophobicContact CB-CD1 4.11Å; H421-F488 HydrophobicContact CB-CE1 4.18Å; H421-F488 AromaticContact CD2-CD1 3.63Å; H421-F488 VanDerWaalsContact CE1-CA 3.44Å; H421-F488 WeakPolarHBondContact CE1-CA 3.41Å; H421-F488 AromaticContact CE1-CD1 3.68Å; H421-F488 AromaticContact CE1-CG 3.92Å; H421-F488 PolarHBondContact CE1-O 3.18Å; H421-F488 AromaticContact CG-CD1 3.51Å; H421-F488 WeakPolarHBondContact ND1-CB 3.21Å; H421-F488 AromaticContact ND1-CD1 3.55Å; H421-F488 AromaticContact ND1-CG 3.62Å; H421-F488 AromaticContact NE2-CD1 3.72Å; I426-F488 HydrophobicContact CG1-CD1 3.86Å; I426-F488 HydrophobicContact CG1-CE1 3.85Å; F488-S490 VanDerWaalsContact C-N 3.35Å; F488-S490 PolarHBondContact O-N 3.43Å; F488-D491 WeakPolarHBondContact O-CB 3.41Å; F488-D491 PolarHBondContact O-N 2.7Å; F488-V492 WeakPolarHBondContact O-CG2 3.27Å; F488-V492 PolarHBondContact O-N 3.2Å; F488-L559 HydrophobicContact CB-CD2 4.09Å
489	Q	96.8	Very high	93	Very high	51 Å²	51	36.1 Å²	36.1	24%	0.238	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-24.6	178.6	-61.5	91.3	-27.6	0	0	113.4	S487 V492 Y493 R554 R557 L559	S487-Q489 PolarHBondContact O-N 2.75Å; S487-Q489 PolarHBondContact OG-N 3.25Å; Q489-V492 PolarHBondContact O-N 2.86Å; Q489-Y493 PolarHBondContact O-N 3.02Å; Q489-Y493 VanDerWaalsContact O-N 3.11Å; Q489-R554 HydrophobicContact CB-CB 3.85Å; Q489-R554 WeakPolarHBondContact CG-O 3.27Å; Q489-R557 WeakPolarHBondContact O-CD 3.39Å; Q489-R557 PolarHBondContact O-NH1 2.9Å; Q489-L559 HydrophobicContact CG-CD2 4.19Å
490	S	95.3	Very high	93.4	Very high	7 Å²	7	32.2 Å²	32.2	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-71.8	-37.6	171.6	69.4	0	0	0	0	111.9	Y486 S487 F488 V492 Y493 A494	Y486-S490 WeakPolarHBondContact CA-OG 3.4Å; S487-S490 PolarHBondContact N-OG 3.35Å; S487-S490 PolarHBondContact O-N 3.11Å; S487-S490 VanDerWaalsContact O-N 3.14Å; S487-S490 PolarHBondContact O-OG 3.23Å; S487-S490 PolarHBondContact OG-N 3.32Å; S487-S490 VanDerWaalsContact OG-N 3.12Å; F488-S490 VanDerWaalsContact C-N 3.35Å; F488-S490 PolarHBondContact O-N 3.43Å; S490-V492 VanDerWaalsContact C-N 3.31Å; S490-Y493 PolarHBondContact O-N 2.58Å; S490-A494 PolarHBondContact O-N 3.41Å
491	D	96.8	Very high	93.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-35.7	171.1	-78.6	-12.1	0	0	0	111.5	M417 H421 I426 H427 R428 S487 F488 A494 Y495 F560	M417-D491 HydrophobicContact CE-CB 3.78Å; M417-D491 WeakPolarHBondContact CE-OD2 3.2Å; H421-D491 IonicContact CD2-OD2 3.18Å; H421-D491 IonicContact CE1-OD2 2.74Å; H421-D491 IonicContact NE2-OD2 3.35Å; H421-D491 PolarHBondContact NE2-OD2 3.38Å; I426-D491 WeakPolarHBondContact CA-OD2 3.47Å; I426-D491 WeakPolarHBondContact CG2-OD2 3.37Å; H427-D491 PolarHBondContact N-OD1 3.47Å; H427-D491 PolarHBondContact N-OD2 3.34Å; R428-D491 PolarHBondContact N-OD1 2.83Å; S487-D491 PolarHBondContact O-N 3.46Å; F488-D491 WeakPolarHBondContact O-CB 3.41Å; F488-D491 PolarHBondContact O-N 2.7Å; D491-A494 PolarHBondContact O-N 2.88Å; D491-Y495 WeakPolarHBondContact O-CB 3.29Å; D491-Y495 PolarHBondContact O-N 3.42Å; D491-F560 HydrophobicContact CB-CE2 4.44Å
492	V	98.3	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-39.2	175.2	168.6	0	0	0	0	112	F488 Q489 S490 Y495 G496 C549 R557 P558 F560 I563	F488-V492 WeakPolarHBondContact O-CG2 3.27Å; F488-V492 PolarHBondContact O-N 3.2Å; Q489-V492 PolarHBondContact O-N 2.86Å; S490-V492 VanDerWaalsContact C-N 3.31Å; V492-Y495 CarbonylContact O-C 3.57Å; V492-Y495 WeakPolarHBondContact O-CB 3.27Å; V492-Y495 PolarHBondContact O-N 3.36Å; V492-G496 PolarHBondContact O-N 3.18Å; V492-C549 HydrophobicContact CG1-CB 3.93Å; V492-R557 HydrophobicContact CG1-CB 3.97Å; V492-P558 WeakPolarHBondContact CG1-O 3.42Å; V492-P558 WeakPolarHBondContact CG2-O 3.14Å; V492-F560 HydrophobicContact CG2-CD2 3.93Å; V492-F560 HydrophobicContact CG2-CE2 3.57Å; V492-F560 HydrophobicContact CG2-CZ 4.12Å; V492-I563 HydrophobicContact CG1-CD1 3.86Å; V492-I563 HydrophobicContact CG2-CD1 3.99Å
493	Y	97.9	Very high	94.7	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-46.3	174.2	-178.1	-83.9	0	0	0	111.1	M473 A474 Q489 S490 Y495 G496 V497 Y509 L550	M473-Y493 VanDerWaalsContact O-CE1 3.3Å; M473-Y493 WeakPolarHBondContact O-CE1 3.26Å; A474-Y493 VanDerWaalsContact CA-CD1 3.42Å; A474-Y493 HydrophobicContact CB-CD1 3.82Å; A474-Y493 HydrophobicContact CB-CD2 4.29Å; A474-Y493 HydrophobicContact CB-CG 3.67Å; Q489-Y493 PolarHBondContact O-N 3.02Å; Q489-Y493 VanDerWaalsContact O-N 3.11Å; S490-Y493 PolarHBondContact O-N 2.58Å; Y493-Y495 VanDerWaalsContact C-N 3.26Å; Y493-Y495 PolarHBondContact O-N 3.45Å; Y493-G496 CarbonylContact O-C 3.5Å; Y493-G496 WeakPolarHBondContact O-CA 3.36Å; Y493-G496 PolarHBondContact O-N 2.98Å; Y493-V497 HydrophobicContact CD1-CG2 4.23Å; Y493-V497 HydrophobicContact CE1-CG2 3.87Å; Y493-V497 PolarHBondContact O-N 3.37Å; Y493-Y509 PolarHBondContact OH-OH 2.83Å; Y493-L550 HydrophobicContact CD2-CD2 4.11Å; Y493-L550 HydrophobicContact CE1-CD2 4.45Å; Y493-L550 HydrophobicContact CE2-CD2 3.92Å; Y493-L550 HydrophobicContact CG-CD2 4.45Å
494	A	97.2	Very high	95.3	Very high	6 Å²	6	16.1 Å²	16.1	5%	0.05	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-39	175.5	0	0	0	0	0	111.9	L430 W472 S490 D491 V497 V498	L430-A494 HydrophobicContact CB-CB 4.06Å; L430-A494 WeakPolarHBondContact O-CB 3.32Å; W472-A494 HydrophobicContact CB-CB 4.19Å; W472-A494 WeakPolarHBondContact O-CA 3.37Å; W472-A494 WeakPolarHBondContact O-CB 3.39Å; S490-A494 PolarHBondContact O-N 3.41Å; D491-A494 PolarHBondContact O-N 2.88Å; A494-V497 PolarHBondContact O-N 3.2Å; A494-V498 PolarHBondContact O-N 3.28Å
495	Y	98.4	Very high	95.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-38.8	171	177.8	-100.4	0	0	0	112.9	A410 T413 A414 L430 D491 V492 Y493 V497 V498 L499 F560 I563 I567	A410-Y495 PolarHBondContact O-OH 3.1Å; T413-Y495 HydrophobicContact CG2-CD2 3.85Å; T413-Y495 HydrophobicContact CG2-CE2 3.76Å; A414-Y495 HydrophobicContact CB-CE2 4.29Å; L430-Y495 HydrophobicContact CD2-CD2 4.5Å; D491-Y495 WeakPolarHBondContact O-CB 3.29Å; D491-Y495 PolarHBondContact O-N 3.42Å; V492-Y495 CarbonylContact O-C 3.57Å; V492-Y495 WeakPolarHBondContact O-CB 3.27Å; V492-Y495 PolarHBondContact O-N 3.36Å; Y493-Y495 VanDerWaalsContact C-N 3.26Å; Y493-Y495 PolarHBondContact O-N 3.45Å; Y495-V497 VanDerWaalsContact C-N 3.25Å; Y495-V497 PolarHBondContact O-N 3.33Å; Y495-V498 CarbonylContact O-C 3.56Å; Y495-V498 WeakPolarHBondContact O-CA 3.48Å; Y495-V498 WeakPolarHBondContact O-CB 3.44Å; Y495-V498 PolarHBondContact O-N 2.74Å; Y495-V498 VanDerWaalsContact O-N 3.09Å; Y495-L499 HydrophobicContact CD1-CD1 4.15Å; Y495-L499 HydrophobicContact CD1-CG 4.2Å; Y495-L499 HydrophobicContact CE1-CD1 3.61Å; Y495-L499 HydrophobicContact CE1-CD2 4.05Å; Y495-L499 HydrophobicContact CE1-CG 3.73Å; Y495-L499 PolarHBondContact O-N 2.78Å; Y495-F560 AromaticContact CD1-CE1 3.9Å; Y495-F560 HydrophobicContact CD1-CE1 3.9Å; Y495-F560 HydrophobicContact CD1-CZ 4.38Å; Y495-F560 AromaticContact CD2-CE1 3.91Å; Y495-F560 HydrophobicContact CD2-CE1 3.91Å; Y495-F560 HydrophobicContact CD2-CZ 4.37Å; Y495-F560 HydrophobicContact CE1-CE1 4.35Å; Y495-F560 HydrophobicContact CE2-CE1 4.35Å; Y495-F560 AromaticContact CG-CE1 3.66Å; Y495-F560 HydrophobicContact CG-CE1 3.66Å; Y495-F560 AromaticContact CG-CZ 3.92Å; Y495-F560 HydrophobicContact CG-CZ 3.92Å; Y495-I563 HydrophobicContact CD1-CD1 4.3Å; Y495-I563 HydrophobicContact CD1-CG2 4.29Å; Y495-I563 HydrophobicContact CE1-CG2 3.51Å; Y495-I567 WeakPolarHBondContact OH-CD1 3.36Å
496	G	98.1	Very high	95.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-34.4	171.8	0	0	0	0	0	112.9	V492 Y493 L499 Y500	V492-G496 PolarHBondContact O-N 3.18Å; Y493-G496 CarbonylContact O-C 3.5Å; Y493-G496 WeakPolarHBondContact O-CA 3.36Å; Y493-G496 PolarHBondContact O-N 2.98Å; G496-L499 PolarHBondContact O-N 2.78Å; G496-Y500 PolarHBondContact O-N 3.26Å
497	V	97.5	Very high	96	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.2	-39	171.7	178.8	0	0	0	0	111.4	W472 Y493 A494 Y495 L499 Y500 E501 P508 L550	W472-V497 HydrophobicContact CD2-CG1 4.41Å; W472-V497 HydrophobicContact CG-CB 4.31Å; W472-V497 HydrophobicContact CG-CG1 3.98Å; Y493-V497 HydrophobicContact CD1-CG2 4.23Å; Y493-V497 HydrophobicContact CE1-CG2 3.87Å; Y493-V497 PolarHBondContact O-N 3.37Å; A494-V497 PolarHBondContact O-N 3.2Å; Y495-V497 VanDerWaalsContact C-N 3.25Å; Y495-V497 PolarHBondContact O-N 3.33Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 3.41Å; V497-Y500 WeakPolarHBondContact O-CA 3.39Å; V497-Y500 VanDerWaalsContact O-CB 3.3Å; V497-Y500 WeakPolarHBondContact O-CB 3.43Å; V497-Y500 PolarHBondContact O-N 3Å; V497-Y500 VanDerWaalsContact O-N 3.08Å; V497-E501 WeakPolarHBondContact O-CG 3.45Å; V497-E501 PolarHBondContact O-N 2.78Å; V497-P508 HydrophobicContact CG1-CG 3.91Å; V497-L550 HydrophobicContact CG2-CD2 3.73Å
498	V	98	Very high	95.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-37.6	172	173.8	0	0	0	0	111.8	L390 I435 A494 Y495 Y500 E501 L502	L390-V498 HydrophobicContact CD2-CG1 3.96Å; I435-V498 HydrophobicContact CD1-CB 4.46Å; I435-V498 HydrophobicContact CD1-CG1 3.75Å; I435-V498 HydrophobicContact CD1-CG2 3.95Å; A494-V498 PolarHBondContact O-N 3.28Å; Y495-V498 CarbonylContact O-C 3.56Å; Y495-V498 WeakPolarHBondContact O-CA 3.48Å; Y495-V498 WeakPolarHBondContact O-CB 3.44Å; Y495-V498 PolarHBondContact O-N 2.74Å; Y495-V498 VanDerWaalsContact O-N 3.09Å; V498-Y500 VanDerWaalsContact C-N 3.32Å; V498-E501 PolarHBondContact O-N 2.82Å; V498-L502 HydrophobicContact CG1-CD1 4.18Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.18Å
499	L	97.7	Very high	95.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-39.4	170.6	-70.9	-176.2	0	0	0	111.7	A410 Y495 G496 V497 L502 M503 M542 L545 L546	A410-L499 HydrophobicContact CB-CD2 3.61Å; Y495-L499 HydrophobicContact CD1-CD1 4.15Å; Y495-L499 HydrophobicContact CD1-CG 4.2Å; Y495-L499 HydrophobicContact CE1-CD1 3.61Å; Y495-L499 HydrophobicContact CE1-CD2 4.05Å; Y495-L499 HydrophobicContact CE1-CG 3.73Å; Y495-L499 PolarHBondContact O-N 2.78Å; G496-L499 PolarHBondContact O-N 2.78Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 3.41Å; L499-L502 HydrophobicContact CD2-CD1 4.49Å; L499-L502 PolarHBondContact O-N 2.94Å; L499-M503 VanDerWaalsContact O-CB 3.31Å; L499-M503 WeakPolarHBondContact O-CB 3.38Å; L499-M503 WeakPolarHBondContact O-CG 3.39Å; L499-M503 PolarHBondContact O-N 2.8Å; L499-M542 HydrophobicContact CD1-SD 4.21Å; L499-M542 HydrophobicContact CD2-CE 4.39Å; L499-M542 HydrophobicContact CD2-SD 3.98Å; L499-L545 HydrophobicContact CD1-CG 4.42Å; L499-L546 HydrophobicContact CB-CB 4.23Å; L499-L546 HydrophobicContact CB-CD1 3.99Å; L499-L546 HydrophobicContact CB-CG 3.86Å; L499-L546 HydrophobicContact CD1-CB 4.17Å
500	Y	96.8	Very high	95.2	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-44	174.3	-178.1	-82.5	0	0	0	112.2	G496 V497 V498 M503 T504 P508 P529 D530 L531	G496-Y500 PolarHBondContact O-N 3.26Å; V497-Y500 WeakPolarHBondContact O-CA 3.39Å; V497-Y500 VanDerWaalsContact O-CB 3.3Å; V497-Y500 WeakPolarHBondContact O-CB 3.43Å; V497-Y500 PolarHBondContact O-N 3Å; V497-Y500 VanDerWaalsContact O-N 3.08Å; V498-Y500 VanDerWaalsContact C-N 3.32Å; Y500-M503 PolarHBondContact O-N 2.85Å; Y500-T504 HydrophobicContact CD1-CG2 4.3Å; Y500-T504 HydrophobicContact CD2-CG2 4.17Å; Y500-T504 HydrophobicContact CE1-CG2 4.03Å; Y500-T504 WeakPolarHBondContact CE1-OG1 3.5Å; Y500-T504 HydrophobicContact CE2-CG2 3.92Å; Y500-T504 HydrophobicContact CG-CG2 4.36Å; Y500-T504 WeakPolarHBondContact O-CB 3.35Å; Y500-T504 WeakPolarHBondContact O-CG2 3.21Å; Y500-T504 PolarHBondContact O-N 3.47Å; Y500-T504 PolarHBondContact O-OG1 3.23Å; Y500-P508 HydrophobicContact CD1-CB 4.18Å; Y500-P508 HydrophobicContact CE1-CB 4.05Å; Y500-P529 HydrophobicContact CD2-CB 3.56Å; Y500-P529 HydrophobicContact CE2-CB 3.65Å; Y500-P529 HydrophobicContact CG-CB 4.1Å; Y500-D530 WeakPolarHBondContact CE2-O 3.5Å; Y500-D530 PolarHBondContact OH-O 2.97Å; Y500-L531 HydrophobicContact CD2-CD2 4.22Å
501	E	96.1	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-48	174.4	-65	175.4	82.9	0	0	111.4	L394 H395 S432 W472 V497 V498 M503 G505 L507	L394-E501 HydrophobicContact CD1-CB 3.89Å; H395-E501 IonicContact CD2-OE1 3.91Å; H395-E501 IonicContact CE1-OE1 3.37Å; H395-E501 IonicContact NE2-OE1 2.78Å; H395-E501 PolarHBondContact NE2-OE1 3.46Å; S432-E501 WeakPolarHBondContact CB-OE1 3.03Å; S432-E501 WeakPolarHBondContact CB-OE2 3.25Å; S432-E501 VanDerWaalsContact OG-CD 3.31Å; S432-E501 PolarHBondContact OG-OE1 3.22Å; S432-E501 PolarHBondContact OG-OE2 3.32Å; W472-E501 WeakPolarHBondContact CZ2-OE2 3.46Å; W472-E501 PolarHBondContact NE1-OE2 3.34Å; V497-E501 WeakPolarHBondContact O-CG 3.45Å; V497-E501 PolarHBondContact O-N 2.78Å; V498-E501 PolarHBondContact O-N 2.82Å; E501-M503 PolarHBondContact O-N 3.38Å; E501-G505 WeakPolarHBondContact O-CA 3.47Å; E501-G505 PolarHBondContact O-N 2.83Å; E501-L507 HydrophobicContact CG-CD2 4.26Å
502	L	95.9	Very high	94.4	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-38.9	178.7	-73.2	167	0	0	0	112.9	L390 L394 L406 V409 A410 V498 L499	L390-L502 HydrophobicContact CD1-CD2 3.95Å; L390-L502 HydrophobicContact CD2-CD2 4.08Å; L390-L502 HydrophobicContact CD2-CG 4.37Å; L394-L502 HydrophobicContact CD1-CD2 4.28Å; L406-L502 WeakPolarHBondContact CD1-O 3.43Å; L406-L502 HydrophobicContact CD2-CB 4.33Å; L406-L502 HydrophobicContact CD2-CD2 3.65Å; V409-L502 HydrophobicContact CB-CD2 4.46Å; V409-L502 HydrophobicContact CG1-CD1 4.33Å; V409-L502 HydrophobicContact CG1-CD2 3.98Å; A410-L502 HydrophobicContact CB-CD1 4Å; V498-L502 HydrophobicContact CG1-CD1 4.18Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.18Å; L499-L502 HydrophobicContact CD2-CD1 4.49Å; L499-L502 PolarHBondContact O-N 2.94Å
503	M	94.9	Very high	93.6	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-90.7	-7.6	-173.8	-62.5	-65	101.3	0	0	114.3	M403 L406 L499 Y500 E501 I534 C538 M542 L546	M403-M503 HydrophobicContact SD-CE 4.09Å; M403-M503 HydrophobicContact SD-SD 4.05Å; L406-M503 HydrophobicContact CB-CE 3.77Å; L406-M503 HydrophobicContact CD1-CE 4.35Å; L499-M503 VanDerWaalsContact O-CB 3.31Å; L499-M503 WeakPolarHBondContact O-CB 3.38Å; L499-M503 WeakPolarHBondContact O-CG 3.39Å; L499-M503 PolarHBondContact O-N 2.8Å; Y500-M503 PolarHBondContact O-N 2.85Å; E501-M503 PolarHBondContact O-N 3.38Å; M503-I534 HydrophobicContact CB-CG1 4.33Å; M503-I534 HydrophobicContact CB-CG2 4.07Å; M503-C538 HydrophobicContact SD-CB 4.46Å; M503-M542 HydrophobicContact CG-CG 4.07Å; M503-M542 HydrophobicContact SD-CG 3.6Å; M503-L546 HydrophobicContact CB-CD1 4.22Å; M503-L546 HydrophobicContact CG-CD1 4.12Å
504	T	93.4	Very high	93.1	Very high	31 Å²	31	25.3 Å²	25.3	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-122.9	-16.7	178.4	67.2	0	0	0	0	114.2	Y500 S506 K533 I534	Y500-T504 HydrophobicContact CD1-CG2 4.3Å; Y500-T504 HydrophobicContact CD2-CG2 4.17Å; Y500-T504 HydrophobicContact CE1-CG2 4.03Å; Y500-T504 WeakPolarHBondContact CE1-OG1 3.5Å; Y500-T504 HydrophobicContact CE2-CG2 3.92Å; Y500-T504 HydrophobicContact CG-CG2 4.36Å; Y500-T504 WeakPolarHBondContact O-CB 3.35Å; Y500-T504 WeakPolarHBondContact O-CG2 3.21Å; Y500-T504 PolarHBondContact O-N 3.47Å; Y500-T504 PolarHBondContact O-OG1 3.23Å; T504-S506 WeakPolarHBondContact CB-OG 3.29Å; T504-S506 PolarHBondContact O-N 2.79Å; T504-S506 PolarHBondContact OG1-N 2.89Å; T504-S506 VanDerWaalsContact OG1-N 3.11Å; T504-S506 PolarHBondContact OG1-O 3.44Å; T504-S506 PolarHBondContact OG1-OG 2.85Å; T504-K533 HydrophobicContact CG2-CB 4.17Å; T504-I534 HydrophobicContact CG2-CB 4.46Å; T504-I534 HydrophobicContact CG2-CG1 3.74Å
505	G	92.7	Very high	92.7	Very high	46 Å²	46	31.4 Å²	31.4	47%	0.474	20%	0.199	S	C	.	.	S	Bend	trans	64.6	16.5	-168.4	0	0	0	0	0	113.6	E501	E501-G505 WeakPolarHBondContact O-CA 3.47Å; E501-G505 PolarHBondContact O-N 2.83Å
506	S	92.1	Very high	92.2	Very high	30 Å²	30	36.8 Å²	36.8	21%	0.21	23%	0.228	C	C	.	.	S	Bend	trans	-138.9	151.7	-170	77.3	0	0	0	0	113	T504	T504-S506 WeakPolarHBondContact CB-OG 3.29Å; T504-S506 PolarHBondContact O-N 2.79Å; T504-S506 PolarHBondContact OG1-N 2.89Å; T504-S506 VanDerWaalsContact OG1-N 3.11Å; T504-S506 PolarHBondContact OG1-O 3.44Å; T504-S506 PolarHBondContact OG1-OG 2.85Å
507	L	92.8	Very high	91.9	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.199	25%	0.249	C	C	.	.			trans	-74.3	144.2	169.9	-67.9	174.1	0	0	0	110.8	Y391 L471 W472 E501	Y391-L507 HydrophobicContact CE2-CD1 4.06Å; Y391-L507 HydrophobicContact CE2-CD2 4.08Å; L471-L507 HydrophobicContact CD1-CB 4.21Å; L471-L507 HydrophobicContact CD1-CD1 4.2Å; L471-L507 HydrophobicContact CD1-CD2 4.21Å; L471-L507 HydrophobicContact CD1-CG 4.45Å; W472-L507 HydrophobicContact CH2-CD2 3.88Å; W472-L507 HydrophobicContact CZ2-CD2 3.94Å; E501-L507 HydrophobicContact CG-CD2 4.26Å
508	P	91.7	Very high	91.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.013	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	156	174.3	32.3	-38.8	0	0	0	110.7	L471 V497 Y500 S510 P529	L471-P508 HydrophobicContact CB-CG 4.01Å; V497-P508 HydrophobicContact CG1-CG 3.91Å; Y500-P508 HydrophobicContact CD1-CB 4.18Å; Y500-P508 HydrophobicContact CE1-CB 4.05Å; P508-S510 PolarHBondContact O-N 2.94Å; P508-P529 HydrophobicContact CB-CB 4.15Å; P508-P529 HydrophobicContact CB-CG 4.08Å
509	Y	91.9	Very high	91.3	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	22.1	175	-33.6	-51.9	0	0	0	115.1	L471 Y493 H511 I512 I518 V522 L527 P529	L471-Y509 HydrophobicContact CD2-CD2 3.79Å; L471-Y509 HydrophobicContact CD2-CE2 4.47Å; Y493-Y509 PolarHBondContact OH-OH 2.83Å; Y509-H511 PolarHBondContact O-N 2.89Å; Y509-I512 PolarHBondContact O-N 2.83Å; Y509-I518 HydrophobicContact CD2-CD1 4.4Å; Y509-I518 HydrophobicContact CD2-CG2 3.57Å; Y509-I518 HydrophobicContact CE2-CG2 3.94Å; Y509-I518 HydrophobicContact CG-CG2 4.3Å; Y509-V522 HydrophobicContact CE1-CG2 4.44Å; Y509-V522 HydrophobicContact CE2-CG2 3.95Å; Y509-L527 HydrophobicContact CD1-CD1 3.78Å; Y509-L527 HydrophobicContact CD1-CD2 3.57Å; Y509-L527 HydrophobicContact CD1-CG 3.59Å; Y509-L527 HydrophobicContact CD2-CD2 4.47Å; Y509-L527 HydrophobicContact CE1-CD1 4.03Å; Y509-L527 HydrophobicContact CE1-CD2 3.91Å; Y509-L527 HydrophobicContact CE1-CG 3.55Å; Y509-L527 HydrophobicContact CG-CD2 3.89Å; Y509-L527 HydrophobicContact CG-CG 4.39Å; Y509-P529 HydrophobicContact CE1-CG 4.11Å; Y509-P529 VanDerWaalsContact OH-CD 3.3Å; Y509-P529 WeakPolarHBondContact OH-CD 3.48Å
510	S	86.6	Confident	91	Very high	81 Å²	81	49.5 Å²	49.5	57%	0.566	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-8	-178.3	52	0	0	0	0	116.7	P508	P508-S510 PolarHBondContact O-N 2.94Å
511	H	86.3	Confident	90.8	Very high	107 Å²	107	50.9 Å²	50.9	50%	0.495	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.3	173.7	61.4	-84.4	0	0	0	113.7	Y509	Y509-H511 PolarHBondContact O-N 2.89Å
512	I	88.3	Confident	90.7	Very high	22 Å²	22	51 Å²	51	11%	0.113	30%	0.295	C	S	.	.			trans	-111.6	109.2	-178.2	-53	-177.6	0	0	0	109.3	Y509 Q517 I518 M521 L527	Y509-I512 PolarHBondContact O-N 2.83Å; I512-Q517 HydrophobicContact CG2-CB 4.12Å; I512-Q517 HydrophobicContact CG2-CG 4.05Å; I512-I518 HydrophobicContact CB-CD1 4.25Å; I512-I518 HydrophobicContact CB-CG1 4Å; I512-I518 HydrophobicContact CD1-CG1 4.41Å; I512-I518 HydrophobicContact CG2-CD1 4.31Å; I512-I518 HydrophobicContact CG2-CG1 3.73Å; I512-M521 HydrophobicContact CD1-SD 4.38Å; I512-L527 HydrophobicContact CD1-CD1 4.28Å; I512-L527 HydrophobicContact CD1-CD2 3.56Å
513	G	81.3	Confident	90.5	Very high	91 Å²	91	51.1 Å²	51.1	94%	0.938	30%	0.296	S	S	*	.			trans	-77.4	-21.1	177.9	0	0	0	0	0	114.7
514	C	88.2	Confident	90.3	Very high	58 Å²	58	58.4 Å²	58.4	39%	0.392	32%	0.324	S	S	.	.			trans	-90.5	115.9	-176.6	-177.5	0	0	0	0	112	D516 Q517 I518	C514-D516 PolarHBondContact O-N 2.93Å; C514-Q517 HydrophobicContact CB-CB 3.78Å; C514-Q517 WeakPolarHBondContact O-CB 3.37Å; C514-Q517 PolarHBondContact O-N 3.15Å; C514-I518 PolarHBondContact O-N 2.86Å
515	R	87.2	Confident	90.1	Very high	134 Å²	134	58.5 Å²	58.5	51%	0.506	33%	0.331	S	S	.	.	H	α-helix	trans	-57.1	-46.1	176.5	176.2	-179.8	171.4	159.9	2.2	112.2	V470 Q517 I518 I519	V470-R515 HydrophobicContact CG2-CG 4.12Å; R515-Q517 VanDerWaalsContact C-N 3.29Å; R515-Q517 PolarHBondContact O-N 3.36Å; R515-I518 WeakPolarHBondContact O-CB 3.28Å; R515-I518 PolarHBondContact O-N 3.38Å; R515-I518 VanDerWaalsContact O-N 3.14Å; R515-I519 HydrophobicContact CG-CD1 4.04Å; R515-I519 HydrophobicContact CG-CG1 4.45Å; R515-I519 WeakPolarHBondContact O-CG1 3.32Å; R515-I519 PolarHBondContact O-N 2.91Å
516	D	89.5	Confident	90	Very high	112 Å²	112	62.5 Å²	62.5	60%	0.599	33%	0.333	S	S	*	.	H	α-helix	trans	-71.5	-28.1	-174.1	-58.6	-35.4	0	0	0	112	C514 I519 F520	C514-D516 PolarHBondContact O-N 2.93Å; D516-I519 PolarHBondContact O-N 2.81Å; D516-F520 WeakPolarHBondContact O-CB 3.43Å; D516-F520 PolarHBondContact O-N 3.33Å
517	Q	91.8	Very high	90	Very high	96 Å²	96	61.4 Å²	61.4	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-43.7	169.2	-175.2	176.7	9.2	0	0	111.4	I512 C514 R515 F520 M521	I512-Q517 HydrophobicContact CG2-CB 4.12Å; I512-Q517 HydrophobicContact CG2-CG 4.05Å; C514-Q517 HydrophobicContact CB-CB 3.78Å; C514-Q517 WeakPolarHBondContact O-CB 3.37Å; C514-Q517 PolarHBondContact O-N 3.15Å; R515-Q517 VanDerWaalsContact C-N 3.29Å; R515-Q517 PolarHBondContact O-N 3.36Å; Q517-F520 PolarHBondContact O-N 2.91Å; Q517-M521 HydrophobicContact CG-CG 4.3Å; Q517-M521 HydrophobicContact CG-SD 3.59Å; Q517-M521 VanDerWaalsContact CG-SD 3.59Å; Q517-M521 WeakPolarHBondContact O-CB 3.39Å; Q517-M521 VanDerWaalsContact O-CG 3.23Å; Q517-M521 WeakPolarHBondContact O-CG 3.42Å; Q517-M521 PolarHBondContact O-N 2.83Å
518	I	90	Very high	89.9	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-47.5	174.1	-61.5	171.1	0	0	0	110.3	V470 L471 Y509 I512 C514 R515 F520 M521 V522 L527	V470-I518 HydrophobicContact CG1-CG2 4Å; L471-I518 HydrophobicContact CD2-CD1 4.12Å; Y509-I518 HydrophobicContact CD2-CD1 4.4Å; Y509-I518 HydrophobicContact CD2-CG2 3.57Å; Y509-I518 HydrophobicContact CE2-CG2 3.94Å; Y509-I518 HydrophobicContact CG-CG2 4.3Å; I512-I518 HydrophobicContact CB-CD1 4.25Å; I512-I518 HydrophobicContact CB-CG1 4Å; I512-I518 HydrophobicContact CD1-CG1 4.41Å; I512-I518 HydrophobicContact CG2-CD1 4.31Å; I512-I518 HydrophobicContact CG2-CG1 3.73Å; C514-I518 PolarHBondContact O-N 2.86Å; R515-I518 WeakPolarHBondContact O-CB 3.28Å; R515-I518 PolarHBondContact O-N 3.38Å; R515-I518 VanDerWaalsContact O-N 3.14Å; I518-F520 PolarHBondContact O-N 2.8Å; I518-M521 PolarHBondContact O-N 3.47Å; I518-V522 HydrophobicContact CG2-CG2 3.98Å; I518-V522 WeakPolarHBondContact O-CB 3.37Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.42Å; I518-V522 PolarHBondContact O-N 3.18Å; I518-L527 HydrophobicContact CG2-CD2 4.45Å
519	I	91.2	Very high	89.9	Confident	42 Å²	42	61.2 Å²	61.2	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-54	-53.1	176.3	-67.4	175	0	0	0	110.2	V470 I478 R515 D516 G523	V470-I519 HydrophobicContact CB-CG1 4.43Å; V470-I519 HydrophobicContact CG1-CG1 3.61Å; V470-I519 HydrophobicContact CG2-CD1 3.96Å; V470-I519 HydrophobicContact CG2-CG1 3.88Å; I478-I519 HydrophobicContact CG2-CG2 3.76Å; I478-I519 VanDerWaalsContact CG2-O 3.32Å; I478-I519 WeakPolarHBondContact CG2-O 3.42Å; R515-I519 HydrophobicContact CG-CD1 4.04Å; R515-I519 HydrophobicContact CG-CG1 4.45Å; R515-I519 WeakPolarHBondContact O-CG1 3.32Å; R515-I519 PolarHBondContact O-N 2.91Å; D516-I519 PolarHBondContact O-N 2.81Å; I519-G523 PolarHBondContact O-N 2.8Å
520	F	91.7	Very high	89.9	Confident	117 Å²	117	63.1 Å²	63.1	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-51	-178.5	179.3	-96.8	0	0	0	112.3	D516 Q517 I518 G523 R524 Y526	D516-F520 WeakPolarHBondContact O-CB 3.43Å; D516-F520 PolarHBondContact O-N 3.33Å; Q517-F520 PolarHBondContact O-N 2.91Å; I518-F520 PolarHBondContact O-N 2.8Å; F520-G523 PolarHBondContact O-N 2.78Å; F520-R524 HydrophobicContact CD2-CG 4.44Å; F520-R524 HydrophobicContact CE1-CG 4.29Å; F520-R524 HydrophobicContact CE2-CG 4.16Å; F520-R524 HydrophobicContact CZ-CG 4.07Å; F520-R524 WeakPolarHBondContact O-CB 3.39Å; F520-R524 VanDerWaalsContact O-CG 3.3Å; F520-R524 WeakPolarHBondContact O-CG 3.49Å; F520-R524 PolarHBondContact O-N 2.59Å; F520-Y526 HydrophobicContact CE1-CE2 4.34Å
521	M	93.6	Very high	90.1	Very high	31 Å²	31	60 Å²	60	15%	0.153	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-38.1	-174.1	-64.4	175.7	70.5	0	0	112.8	Y155 I512 Q517 I518 G525 Y526 L527	Y155-M521 HydrophobicContact CE1-CE 4.06Å; I512-M521 HydrophobicContact CD1-SD 4.38Å; Q517-M521 HydrophobicContact CG-CG 4.3Å; Q517-M521 HydrophobicContact CG-SD 3.59Å; Q517-M521 VanDerWaalsContact CG-SD 3.59Å; Q517-M521 WeakPolarHBondContact O-CB 3.39Å; Q517-M521 VanDerWaalsContact O-CG 3.23Å; Q517-M521 WeakPolarHBondContact O-CG 3.42Å; Q517-M521 PolarHBondContact O-N 2.83Å; I518-M521 PolarHBondContact O-N 3.47Å; M521-G525 PolarHBondContact O-N 3.17Å; M521-G525 VanDerWaalsContact O-N 3.14Å; M521-Y526 PolarHBondContact O-N 2.76Å; M521-L527 HydrophobicContact CB-CB 3.55Å; M521-L527 HydrophobicContact CB-CD2 4.17Å; M521-L527 HydrophobicContact CE-CB 4.36Å; M521-L527 PolarHBondContact O-N 2.81Å
522	V	92.8	Very high	90.1	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-42.7	173.9	-178.9	0	0	0	0	110.2	A475 I478 Y509 I518 R524 G525 L527 F552	A475-V522 HydrophobicContact CB-CG1 4.41Å; A475-V522 WeakPolarHBondContact CB-O 3.41Å; I478-V522 HydrophobicContact CD1-CB 3.84Å; I478-V522 HydrophobicContact CD1-CG1 3.66Å; Y509-V522 HydrophobicContact CE1-CG2 4.44Å; Y509-V522 HydrophobicContact CE2-CG2 3.95Å; I518-V522 HydrophobicContact CG2-CG2 3.98Å; I518-V522 WeakPolarHBondContact O-CB 3.37Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.42Å; I518-V522 PolarHBondContact O-N 3.18Å; V522-R524 VanDerWaalsContact C-N 3.28Å; V522-R524 PolarHBondContact O-N 2.93Å; V522-G525 PolarHBondContact O-N 3.44Å; V522-L527 HydrophobicContact CG2-CB 4.04Å; V522-L527 HydrophobicContact CG2-CD2 3.96Å; V522-L527 HydrophobicContact CG2-CG 4.09Å; V522-F552 WeakPolarHBondContact O-CE2 3.28Å
523	G	91.7	Very high	90.2	Very high	6 Å²	6	60.8 Å²	60.8	6%	0.062	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-37.7	177.7	0	0	0	0	0	113.3	R479 I519 F520	R479-G523 VanDerWaalsContact CD-O 3.27Å; R479-G523 WeakPolarHBondContact CD-O 3.24Å; R479-G523 WeakPolarHBondContact CG-O 3.31Å; R479-G523 PolarHBondContact NH1-O 2.86Å; I519-G523 PolarHBondContact O-N 2.8Å; F520-G523 PolarHBondContact O-N 2.78Å
524	R	92.1	Very high	90.6	Very high	157 Å²	157	56.8 Å²	56.8	59%	0.592	28%	0.279	S	S	*	.	H	α-helix	trans	-79.8	-13.9	175	-70.9	-70.2	-176.1	139.2	-2.8	114.8	F520 V522 Y526	F520-R524 HydrophobicContact CD2-CG 4.44Å; F520-R524 HydrophobicContact CE1-CG 4.29Å; F520-R524 HydrophobicContact CE2-CG 4.16Å; F520-R524 HydrophobicContact CZ-CG 4.07Å; F520-R524 WeakPolarHBondContact O-CB 3.39Å; F520-R524 VanDerWaalsContact O-CG 3.3Å; F520-R524 WeakPolarHBondContact O-CG 3.49Å; F520-R524 PolarHBondContact O-N 2.59Å; V522-R524 VanDerWaalsContact C-N 3.28Å; V522-R524 PolarHBondContact O-N 2.93Å; R524-Y526 HydrophobicContact CB-CD2 3.59Å; R524-Y526 HydrophobicContact CB-CE2 3.51Å; R524-Y526 HydrophobicContact CB-CG 4.18Å; R524-Y526 HydrophobicContact CG-CD2 4.34Å; R524-Y526 HydrophobicContact CG-CE2 3.93Å
525	G	89.2	Confident	90.4	Very high	34 Å²	34	56 Å²	56	35%	0.351	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	8.9	-178	0	0	0	0	0	115.4	M521 V522	M521-G525 PolarHBondContact O-N 3.17Å; M521-G525 VanDerWaalsContact O-N 3.14Å; V522-G525 PolarHBondContact O-N 3.44Å
526	Y	90.6	Very high	90.3	Very high	130 Å²	130	55.8 Å²	55.8	51%	0.51	29%	0.294	S	S	.	.	S	Bend	trans	-70.5	-39.2	172.7	-55.8	-40.2	0	0	0	111.1	Y155 F520 M521 R524	Y155-Y526 PolarHBondContact OH-O 2.59Å; F520-Y526 HydrophobicContact CE1-CE2 4.34Å; M521-Y526 PolarHBondContact O-N 2.76Å; R524-Y526 HydrophobicContact CB-CD2 3.59Å; R524-Y526 HydrophobicContact CB-CE2 3.51Å; R524-Y526 HydrophobicContact CB-CG 4.18Å; R524-Y526 HydrophobicContact CG-CD2 4.34Å; R524-Y526 HydrophobicContact CG-CE2 3.93Å
527	L	91	Very high	90	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	29%	0.292	C	S	.	.			trans	-107.3	133.6	-175.6	-175.1	65.7	0	0	0	112.6	Y155 Y509 I512 I518 M521 V522	Y155-L527 HydrophobicContact CE1-CD1 4.46Å; Y155-L527 VanDerWaalsContact OH-CA 3.28Å; Y155-L527 WeakPolarHBondContact OH-CA 2.98Å; Y155-L527 VanDerWaalsContact OH-CD1 3.31Å; Y155-L527 WeakPolarHBondContact OH-CD1 3.12Å; Y509-L527 HydrophobicContact CD1-CD1 3.78Å; Y509-L527 HydrophobicContact CD1-CD2 3.57Å; Y509-L527 HydrophobicContact CD1-CG 3.59Å; Y509-L527 HydrophobicContact CD2-CD2 4.47Å; Y509-L527 HydrophobicContact CE1-CD1 4.03Å; Y509-L527 HydrophobicContact CE1-CD2 3.91Å; Y509-L527 HydrophobicContact CE1-CG 3.55Å; Y509-L527 HydrophobicContact CG-CD2 3.89Å; Y509-L527 HydrophobicContact CG-CG 4.39Å; I512-L527 HydrophobicContact CD1-CD1 4.28Å; I512-L527 HydrophobicContact CD1-CD2 3.56Å; I518-L527 HydrophobicContact CG2-CD2 4.45Å; M521-L527 HydrophobicContact CB-CB 3.55Å; M521-L527 HydrophobicContact CB-CD2 4.17Å; M521-L527 HydrophobicContact CE-CB 4.36Å; M521-L527 PolarHBondContact O-N 2.81Å; V522-L527 HydrophobicContact CG2-CB 4.04Å; V522-L527 HydrophobicContact CG2-CD2 3.96Å; V522-L527 HydrophobicContact CG2-CG 4.09Å
528	S	91.5	Very high	89.8	Confident	34 Å²	34	51.2 Å²	51.2	24%	0.238	27%	0.273	C	S	.	.			trans	-149.4	159.7	168.4	60.6	0	0	0	0	110.5	R151	R151-S528 PolarHBondContact NH1-OG 3.29Å; R151-S528 PolarHBondContact NH2-OG 2.68Å
529	P	92.3	Very high	89.7	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.013	28%	0.278	C	S	.	.			trans	-58.1	142.3	-169.9	-28.7	38.8	0	0	0	113.7	R151 Y500 P508 Y509 L531 L550	R151-P529 PolarHBondContact NH1-O 3.11Å; Y500-P529 HydrophobicContact CD2-CB 3.56Å; Y500-P529 HydrophobicContact CE2-CB 3.65Å; Y500-P529 HydrophobicContact CG-CB 4.1Å; P508-P529 HydrophobicContact CB-CB 4.15Å; P508-P529 HydrophobicContact CB-CG 4.08Å; Y509-P529 HydrophobicContact CE1-CG 4.11Å; Y509-P529 VanDerWaalsContact OH-CD 3.3Å; Y509-P529 WeakPolarHBondContact OH-CD 3.48Å; P529-L531 PolarHBondContact O-N 3Å; P529-L531 VanDerWaalsContact O-N 3.12Å; P529-L550 HydrophobicContact CB-CD1 3.95Å; P529-L550 HydrophobicContact CG-CD1 3.75Å; P529-L550 HydrophobicContact CG-CD2 4.36Å
530	D	90.4	Very high	89.2	Confident	50 Å²	50	55.1 Å²	55.1	27%	0.267	29%	0.29	S	S	.	.			trans	-82.8	92.7	-173.3	175.3	13.9	0	0	0	111.3	Y500 S532 K533	Y500-D530 WeakPolarHBondContact CE2-O 3.5Å; Y500-D530 PolarHBondContact OH-O 2.97Å; D530-S532 VanDerWaalsContact CG-OG 3.23Å; D530-S532 PolarHBondContact O-N 3.02Å; D530-S532 VanDerWaalsContact O-N 3.09Å; D530-S532 VanDerWaalsContact OD1-CB 3.26Å; D530-S532 WeakPolarHBondContact OD1-CB 3.4Å; D530-S532 PolarHBondContact OD1-N 2.78Å; D530-S532 PolarHBondContact OD1-OG 3.31Å; D530-S532 PolarHBondContact OD2-OG 2.8Å; D530-K533 HydrophobicContact CB-CG 4.48Å; D530-K533 PolarHBondContact O-N 3.31Å; D530-K533 VanDerWaalsContact OD2-CE 3.23Å; D530-K533 WeakPolarHBondContact OD2-CE 3.34Å; D530-K533 WeakPolarHBondContact OD2-CG 3.43Å
531	L	90.7	Very high	89	Confident	16 Å²	16	51.7 Å²	51.7	8%	0.084	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65	-11.9	-177.7	-50.8	-168.1	0	0	0	113.6	Y500 P529 K533 I534 R543 L546 L550	Y500-L531 HydrophobicContact CD2-CD2 4.22Å; P529-L531 PolarHBondContact O-N 3Å; P529-L531 VanDerWaalsContact O-N 3.12Å; L531-K533 PolarHBondContact O-N 2.89Å; L531-I534 HydrophobicContact CB-CD1 4.07Å; L531-I534 HydrophobicContact CD2-CD1 4.03Å; L531-I534 PolarHBondContact O-N 2.84Å; L531-R543 PolarHBondContact O-NH1 2.94Å; L531-L546 HydrophobicContact CD2-CD2 3.43Å; L531-L546 VanDerWaalsContact CD2-CD2 3.43Å; L531-L550 HydrophobicContact CD2-CD1 4.28Å
532	S	88	Confident	88.8	Confident	56 Å²	56	50.3 Å²	50.3	39%	0.392	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.2	-26.3	175.3	75.4	0	0	0	0	112.3	D530 I534	D530-S532 VanDerWaalsContact CG-OG 3.23Å; D530-S532 PolarHBondContact O-N 3.02Å; D530-S532 VanDerWaalsContact O-N 3.09Å; D530-S532 VanDerWaalsContact OD1-CB 3.26Å; D530-S532 WeakPolarHBondContact OD1-CB 3.4Å; D530-S532 PolarHBondContact OD1-N 2.78Å; D530-S532 PolarHBondContact OD1-OG 3.31Å; D530-S532 PolarHBondContact OD2-OG 2.8Å; S532-I534 VanDerWaalsContact C-N 3.27Å; S532-I534 PolarHBondContact O-N 3.35Å
533	K	89.7	Confident	88.7	Confident	90 Å²	90	51 Å²	51	39%	0.391	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-74.5	-10.4	177.8	-59.7	-171.4	-178.9	-168.4	0	114.6	T504 D530 L531 S535	T504-K533 HydrophobicContact CG2-CB 4.17Å; D530-K533 HydrophobicContact CB-CG 4.48Å; D530-K533 PolarHBondContact O-N 3.31Å; D530-K533 VanDerWaalsContact OD2-CE 3.23Å; D530-K533 WeakPolarHBondContact OD2-CE 3.34Å; D530-K533 WeakPolarHBondContact OD2-CG 3.43Å; L531-K533 PolarHBondContact O-N 2.89Å; K533-S535 PolarHBondContact O-N 2.73Å
534	I	89.7	Confident	88.6	Confident	6 Å²	6	52.8 Å²	52.8	3%	0.031	28%	0.284	C	S	.	.	S	Bend	trans	-68	131.6	176	-64.5	166.1	0	0	0	108.7	M503 T504 L531 S532 C538 R543 L546	M503-I534 HydrophobicContact CB-CG1 4.33Å; M503-I534 HydrophobicContact CB-CG2 4.07Å; T504-I534 HydrophobicContact CG2-CB 4.46Å; T504-I534 HydrophobicContact CG2-CG1 3.74Å; L531-I534 HydrophobicContact CB-CD1 4.07Å; L531-I534 HydrophobicContact CD2-CD1 4.03Å; L531-I534 PolarHBondContact O-N 2.84Å; S532-I534 VanDerWaalsContact C-N 3.27Å; S532-I534 PolarHBondContact O-N 3.35Å; I534-C538 HydrophobicContact CG2-CB 3.41Å; I534-C538 VanDerWaalsContact CG2-CB 3.41Å; I534-R543 HydrophobicContact CD1-CG 4.29Å; I534-R543 PolarHBondContact O-NH2 2.72Å; I534-L546 HydrophobicContact CD1-CD1 3.67Å; I534-L546 HydrophobicContact CD1-CD2 4.3Å; I534-L546 HydrophobicContact CG1-CD1 4.47Å
535	S	84.2	Confident	88.6	Confident	43 Å²	43	45.7 Å²	45.7	30%	0.301	26%	0.258	S	S	.	.			trans	-55.7	152.9	-178.7	61.2	0	0	0	0	113.8	K533 N537 C538 R543	K533-S535 PolarHBondContact O-N 2.73Å; S535-N537 VanDerWaalsContact C-N 3.29Å; S535-N537 WeakPolarHBondContact CB-OD1 3.41Å; S535-N537 PolarHBondContact O-N 3.34Å; S535-N537 PolarHBondContact OG-OD1 3.01Å; S535-C538 VanDerWaalsContact O-CB 3.24Å; S535-C538 WeakPolarHBondContact O-CB 3.29Å; S535-C538 PolarHBondContact O-N 2.77Å; S535-R543 PolarHBondContact O-NH2 3.46Å
536	S	83.9	Confident	88.9	Confident	128 Å²	128	44 Å²	44	90%	0.895	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.5	177.8	53.6	0	0	0	0	113.3	C538	S536-C538 VanDerWaalsContact C-N 3.28Å; S536-C538 PolarHBondContact O-N 3.45Å
537	N	84.7	Confident	89	Confident	105 Å²	105	39.1 Å²	39.1	56%	0.561	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.6	173.8	70.5	-11	0	0	0	113.6	M403 S535 P539	M403-N537 VanDerWaalsContact CE-OD1 3.24Å; M403-N537 WeakPolarHBondContact CE-OD1 3.36Å; S535-N537 VanDerWaalsContact C-N 3.29Å; S535-N537 WeakPolarHBondContact CB-OD1 3.41Å; S535-N537 PolarHBondContact O-N 3.34Å; S535-N537 PolarHBondContact OG-OD1 3.01Å; N537-P539 WeakPolarHBondContact O-CD 3.16Å
538	C	86.9	Confident	89.1	Confident	8 Å²	8	41 Å²	41	5%	0.054	24%	0.236	C	C	.	.	S	Bend	trans	-66.4	123.4	174.9	179.9	0	0	0	0	110.5	M403 M503 I534 S535 S536 K540	M403-C538 HydrophobicContact CE-CB 4.48Å; M503-C538 HydrophobicContact SD-CB 4.46Å; I534-C538 HydrophobicContact CG2-CB 3.41Å; I534-C538 VanDerWaalsContact CG2-CB 3.41Å; S535-C538 VanDerWaalsContact O-CB 3.24Å; S535-C538 WeakPolarHBondContact O-CB 3.29Å; S535-C538 PolarHBondContact O-N 2.77Å; S536-C538 VanDerWaalsContact C-N 3.28Å; S536-C538 PolarHBondContact O-N 3.45Å; C538-K540 PolarHBondContact O-N 3.14Å
539	P	87.3	Confident	89.4	Confident	25 Å²	25	39.3 Å²	39.3	16%	0.162	22%	0.224	C	C	.	.			trans	-59.1	136	178.1	-24.9	34.5	0	0	0	112.5	I407 N537 A541 M542 R543 L570 L574	I407-P539 HydrophobicContact CD1-CG 3.94Å; N537-P539 WeakPolarHBondContact O-CD 3.16Å; P539-A541 PolarHBondContact O-N 3.22Å; P539-M542 WeakPolarHBondContact O-CA 3.37Å; P539-M542 WeakPolarHBondContact O-CB 3.34Å; P539-M542 PolarHBondContact O-N 3.49Å; P539-R543 PolarHBondContact O-N 3.29Å; P539-R543 VanDerWaalsContact O-N 3.13Å; P539-L570 HydrophobicContact CB-CD1 3.45Å; P539-L570 VanDerWaalsContact CB-CD1 3.45Å; P539-L570 HydrophobicContact CB-CD2 4.14Å; P539-L570 HydrophobicContact CB-CG 4.4Å; P539-L570 HydrophobicContact CG-CD1 3.89Å; P539-L570 HydrophobicContact CG-CD2 4.28Å; P539-L574 HydrophobicContact CG-CD2 3.88Å
540	K	82.6	Confident	89.6	Confident	110 Å²	110	40 Å²	40	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-52.5	-35.4	-177.8	-62	-171.5	176.2	-166.7	0	113.7	D146 C538 R544	D146-K540 VanDerWaalsContact CG-NZ 3.29Å; D146-K540 WeakPolarHBondContact OD1-CD 3.49Å; D146-K540 IonicContact OD1-NZ 2.67Å; D146-K540 PolarHBondContact OD1-NZ 3.23Å; D146-K540 IonicContact OD2-NZ 2.63Å; D146-K540 PolarHBondContact OD2-NZ 3.04Å; C538-K540 PolarHBondContact O-N 3.14Å; K540-R544 WeakPolarHBondContact O-CB 3.47Å; K540-R544 PolarHBondContact O-N 2.99Å
541	A	85.8	Confident	89.7	Confident	46 Å²	46	41.1 Å²	41.1	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-33.7	176.3	0	0	0	0	0	113.3	P539 L545 L570	P539-A541 PolarHBondContact O-N 3.22Å; A541-L545 WeakPolarHBondContact O-CB 3.3Å; A541-L545 PolarHBondContact O-N 3.18Å; A541-L570 HydrophobicContact CB-CD1 4.46Å
542	M	90.8	Very high	89.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-47.8	174.7	-176.5	57.9	88.8	0	0	111.1	I407 A410 L499 M503 P539 R544 L545 L546 I567 L570	I407-M542 HydrophobicContact CG1-CE 3.9Å; I407-M542 HydrophobicContact CG2-CE 4.4Å; A410-M542 HydrophobicContact CB-CE 4.09Å; L499-M542 HydrophobicContact CD1-SD 4.21Å; L499-M542 HydrophobicContact CD2-CE 4.39Å; L499-M542 HydrophobicContact CD2-SD 3.98Å; M503-M542 HydrophobicContact CG-CG 4.07Å; M503-M542 HydrophobicContact SD-CG 3.6Å; P539-M542 WeakPolarHBondContact O-CA 3.37Å; P539-M542 WeakPolarHBondContact O-CB 3.34Å; P539-M542 PolarHBondContact O-N 3.49Å; M542-R544 PolarHBondContact O-N 2.79Å; M542-L545 PolarHBondContact O-N 3.3Å; M542-L545 VanDerWaalsContact O-N 3.12Å; M542-L545 HydrophobicContact SD-CD2 4.27Å; M542-L546 WeakPolarHBondContact O-CB 3.44Å; M542-L546 PolarHBondContact O-N 3.22Å; M542-I567 HydrophobicContact CE-CG1 4.27Å; M542-L570 HydrophobicContact CB-CD2 3.75Å; M542-L570 HydrophobicContact CE-CD2 4.13Å
543	R	90.8	Very high	89.9	Confident	17 Å²	17	47.1 Å²	47.1	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-52.6	-42.4	174.3	-179.6	-177.6	-69.4	-95.5	-1.5	111.7	M147 L531 I534 S535 P539 S547	M147-R543 WeakPolarHBondContact O-CD 3.32Å; L531-R543 PolarHBondContact O-NH1 2.94Å; I534-R543 HydrophobicContact CD1-CG 4.29Å; I534-R543 PolarHBondContact O-NH2 2.72Å; S535-R543 PolarHBondContact O-NH2 3.46Å; P539-R543 PolarHBondContact O-N 3.29Å; P539-R543 VanDerWaalsContact O-N 3.13Å; R543-S547 PolarHBondContact O-N 2.96Å
544	R	88.5	Confident	90.1	Very high	44 Å²	44	45.7 Å²	45.7	17%	0.166	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-50.1	175.3	-178.2	-178.4	164.6	-164.8	-3.2	112.6	D113 K540 M542 L546 S547 D548	D113-R544 VanDerWaalsContact CB-NH2 3.29Å; D113-R544 VanDerWaalsContact CG-NH2 3.3Å; D113-R544 IonicContact OD2-CZ 2.73Å; D113-R544 IonicContact OD2-NH1 2.82Å; D113-R544 PolarHBondContact OD2-NH1 3.13Å; D113-R544 IonicContact OD2-NH2 2.76Å; D113-R544 PolarHBondContact OD2-NH2 2.98Å; K540-R544 WeakPolarHBondContact O-CB 3.47Å; K540-R544 PolarHBondContact O-N 2.99Å; M542-R544 PolarHBondContact O-N 2.79Å; R544-L546 PolarHBondContact O-N 3.48Å; R544-S547 WeakPolarHBondContact O-CA 3.43Å; R544-S547 WeakPolarHBondContact O-CB 3.45Å; R544-S547 PolarHBondContact O-N 2.88Å; R544-D548 IonicContact CZ-OD2 3.17Å; R544-D548 IonicContact NE-OD2 3.88Å; R544-D548 PolarHBondContact NE-OD2 2.83Å; R544-D548 IonicContact NH2-OD2 2.77Å; R544-D548 PolarHBondContact O-N 3.45Å
545	L	93	Very high	90.2	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-41.1	179.4	175.9	63.4	0	0	0	112.1	L499 A541 M542 D548 C549 I563 T566 I567	L499-L545 HydrophobicContact CD1-CG 4.42Å; A541-L545 WeakPolarHBondContact O-CB 3.3Å; A541-L545 PolarHBondContact O-N 3.18Å; M542-L545 PolarHBondContact O-N 3.3Å; M542-L545 VanDerWaalsContact O-N 3.12Å; M542-L545 HydrophobicContact SD-CD2 4.27Å; L545-D548 PolarHBondContact O-N 3.46Å; L545-C549 PolarHBondContact O-N 3.48Å; L545-C549 PolarHBondContact O-SG 3.07Å; L545-I563 HydrophobicContact CD1-CB 4.36Å; L545-I563 HydrophobicContact CD1-CG1 4.17Å; L545-I563 HydrophobicContact CD1-CG2 4.28Å; L545-I563 HydrophobicContact CD2-CG2 4.14Å; L545-T566 HydrophobicContact CB-CG2 4.35Å; L545-T566 HydrophobicContact CD1-CG2 4.33Å; L545-T566 HydrophobicContact CD2-CG2 4.12Å; L545-I567 HydrophobicContact CD2-CD1 3.86Å; L545-I567 HydrophobicContact CD2-CG1 3.4Å; L545-I567 VanDerWaalsContact CD2-CG1 3.4Å
546	L	95	Very high	90.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-48.1	174.1	-175.8	171.4	0	0	0	110.8	L499 M503 L531 I534 M542 R544 D548 C549 L550	L499-L546 HydrophobicContact CB-CB 4.23Å; L499-L546 HydrophobicContact CB-CD1 3.99Å; L499-L546 HydrophobicContact CB-CG 3.86Å; L499-L546 HydrophobicContact CD1-CB 4.17Å; M503-L546 HydrophobicContact CB-CD1 4.22Å; M503-L546 HydrophobicContact CG-CD1 4.12Å; L531-L546 HydrophobicContact CD2-CD2 3.43Å; L531-L546 VanDerWaalsContact CD2-CD2 3.43Å; I534-L546 HydrophobicContact CD1-CD1 3.67Å; I534-L546 HydrophobicContact CD1-CD2 4.3Å; I534-L546 HydrophobicContact CG1-CD1 4.47Å; M542-L546 WeakPolarHBondContact O-CB 3.44Å; M542-L546 PolarHBondContact O-N 3.22Å; R544-L546 PolarHBondContact O-N 3.48Å; L546-D548 PolarHBondContact O-N 3.26Å; L546-C549 PolarHBondContact O-N 2.86Å; L546-L550 HydrophobicContact CD2-CD1 3.5Å; L546-L550 VanDerWaalsContact CD2-CD1 3.5Å; L546-L550 HydrophobicContact CD2-CG 4.3Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.25Å; L546-L550 VanDerWaalsContact O-N 3.07Å
547	S	93	Very high	91.1	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-41.6	175	-168.2	0	0	0	0	112.9	R543 R544 C549 L550 K551	R543-S547 PolarHBondContact O-N 2.96Å; R544-S547 WeakPolarHBondContact O-CA 3.43Å; R544-S547 WeakPolarHBondContact O-CB 3.45Å; R544-S547 PolarHBondContact O-N 2.88Å; S547-C549 VanDerWaalsContact C-N 3.34Å; S547-C549 PolarHBondContact O-N 2.9Å; S547-L550 PolarHBondContact O-N 3.34Å; S547-K551 PolarHBondContact O-N 2.82Å
548	D	92.9	Very high	91.7	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-33.8	177.6	-66.9	-24.7	0	0	0	111.3	R544 L545 L546 K551 P558	R544-D548 IonicContact CZ-OD2 3.17Å; R544-D548 IonicContact NE-OD2 3.88Å; R544-D548 PolarHBondContact NE-OD2 2.83Å; R544-D548 IonicContact NH2-OD2 2.77Å; R544-D548 PolarHBondContact O-N 3.45Å; L545-D548 PolarHBondContact O-N 3.46Å; L546-D548 PolarHBondContact O-N 3.26Å; D548-K551 WeakPolarHBondContact O-CG 3.48Å; D548-P558 HydrophobicContact CB-CG 4.48Å; D548-P558 WeakPolarHBondContact O-CD 3.44Å
549	C	97.2	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.3	-29.4	173.2	-64.5	0	0	0	0	113.5	V492 L545 L546 S547 R557	V492-C549 HydrophobicContact CG1-CB 3.93Å; L545-C549 PolarHBondContact O-N 3.48Å; L545-C549 PolarHBondContact O-SG 3.07Å; L546-C549 PolarHBondContact O-N 2.86Å; S547-C549 VanDerWaalsContact C-N 3.34Å; S547-C549 PolarHBondContact O-N 2.9Å; C549-R557 WeakPolarHBondContact O-CD 3.37Å
550	L	96.3	Very high	92.7	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.084	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.4	-177.8	-68.8	179.5	0	0	0	114.4	Y493 V497 P529 L531 L546 S547	Y493-L550 HydrophobicContact CD2-CD2 4.11Å; Y493-L550 HydrophobicContact CE1-CD2 4.45Å; Y493-L550 HydrophobicContact CE2-CD2 3.92Å; Y493-L550 HydrophobicContact CG-CD2 4.45Å; V497-L550 HydrophobicContact CG2-CD2 3.73Å; P529-L550 HydrophobicContact CB-CD1 3.95Å; P529-L550 HydrophobicContact CG-CD1 3.75Å; P529-L550 HydrophobicContact CG-CD2 4.36Å; L531-L550 HydrophobicContact CD2-CD1 4.28Å; L546-L550 HydrophobicContact CD2-CD1 3.5Å; L546-L550 VanDerWaalsContact CD2-CD1 3.5Å; L546-L550 HydrophobicContact CD2-CG 4.3Å; L546-L550 WeakPolarHBondContact O-CG 3.36Å; L546-L550 PolarHBondContact O-N 3.25Å; L546-L550 VanDerWaalsContact O-N 3.07Å; S547-L550 PolarHBondContact O-N 3.34Å
551	K	92.8	Very high	93.3	Very high	74 Å²	74	41.3 Å²	41.3	32%	0.322	21%	0.206	S	C	.	.			trans	-55.7	138.5	177.2	-71.4	-61.3	-159.8	126.6	0	112.4	S547 D548 E556 R557	S547-K551 PolarHBondContact O-N 2.82Å; D548-K551 WeakPolarHBondContact O-CG 3.48Å; K551-E556 HydrophobicContact CB-CB 3.9Å; K551-E556 WeakPolarHBondContact CD-OE2 3.46Å; K551-E556 WeakPolarHBondContact CE-OE2 3.25Å; K551-E556 HydrophobicContact CG-CB 3.97Å; K551-E556 IonicContact NZ-OE2 2.83Å; K551-E556 PolarHBondContact NZ-OE2 3.23Å; K551-R557 HydrophobicContact CB-CG 4.05Å; K551-R557 PolarHBondContact O-NE 3.26Å; K551-R557 PolarHBondContact O-NH2 2.97Å; K551-R557 VanDerWaalsContact O-NH2 3.14Å
552	F	91.8	Very high	93.7	Very high	88 Å²	88	40.5 Å²	40.5	39%	0.386	19%	0.194	S	C	.	.	S	Bend	trans	-67.6	-48	-178	-171.8	-101	0	0	0	112	A475 V522 R554 R557	A475-F552 HydrophobicContact CB-CD2 3.66Å; A475-F552 HydrophobicContact CB-CE2 3.17Å; A475-F552 HydrophobicContact CB-CZ 3.91Å; V522-F552 WeakPolarHBondContact O-CE2 3.28Å; F552-R554 PolarHBondContact O-N 2.84Å; F552-R557 PolarHBondContact O-NH2 2.93Å; F552-R557 VanDerWaalsContact O-NH2 3.1Å
553	Q	91.3	Very high	94	Very high	109 Å²	109	40.4 Å²	40.4	51%	0.509	19%	0.194	S	C	.	.	S	Bend	trans	-69	123	169.2	-62.9	-176.8	47.9	0	0	108.8	E555 E556	Q553-E555 VanDerWaalsContact C-N 3.25Å; Q553-E555 PolarHBondContact O-N 3.5Å; Q553-E556 HydrophobicContact CB-CG 4.09Å; Q553-E556 PolarHBondContact NE2-OE1 2.89Å; Q553-E556 PolarHBondContact O-N 2.89Å
554	R	93.9	Very high	94.2	Very high	60 Å²	60	40.6 Å²	40.6	23%	0.226	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-68.1	-29.8	-175.9	68.1	175.2	173.6	-144.4	-17.9	111.8	D482 Q489 F552 E556 R557	D482-R554 IonicContact OD2-CZ 2.62Å; D482-R554 IonicContact OD2-NH1 3.23Å; D482-R554 PolarHBondContact OD2-NH1 3.19Å; D482-R554 IonicContact OD2-NH2 2.59Å; D482-R554 PolarHBondContact OD2-NH2 3.13Å; Q489-R554 HydrophobicContact CB-CB 3.85Å; Q489-R554 WeakPolarHBondContact CG-O 3.27Å; F552-R554 PolarHBondContact O-N 2.84Å; R554-E556 PolarHBondContact O-N 2.9Å; R554-R557 WeakPolarHBondContact O-CB 3.42Å; R554-R557 PolarHBondContact O-N 3.18Å; R554-R557 VanDerWaalsContact O-N 3.09Å
555	E	92.8	Very high	94.4	Very high	116 Å²	116	38.9 Å²	38.9	54%	0.542	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-67.7	-21	-179.8	-64.4	71.1	-157.4	0	0	113	Q553	Q553-E555 VanDerWaalsContact C-N 3.25Å; Q553-E555 PolarHBondContact O-N 3.5Å
556	E	91.4	Very high	94.3	Very high	82 Å²	82	40.4 Å²	40.4	38%	0.383	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-80.3	-16.2	173.2	-67.8	-176.1	-154.9	0	0	113.1	K551 Q553 R554	K551-E556 HydrophobicContact CB-CB 3.9Å; K551-E556 WeakPolarHBondContact CD-OE2 3.46Å; K551-E556 WeakPolarHBondContact CE-OE2 3.25Å; K551-E556 HydrophobicContact CG-CB 3.97Å; K551-E556 IonicContact NZ-OE2 2.83Å; K551-E556 PolarHBondContact NZ-OE2 3.23Å; Q553-E556 HydrophobicContact CB-CG 4.09Å; Q553-E556 PolarHBondContact NE2-OE1 2.89Å; Q553-E556 PolarHBondContact O-N 2.89Å; R554-E556 PolarHBondContact O-N 2.9Å
557	R	95.6	Very high	94.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	20%	0.201	C	C	.	.	S	Bend	trans	-76.6	135.5	-175.9	-58.1	177.8	-160.9	141.5	12.6	110.7	E476 Q489 V492 C549 K551 F552 R554	E476-R557 IonicContact OE1-CZ 2.81Å; E476-R557 IonicContact OE1-NH1 2.8Å; E476-R557 PolarHBondContact OE1-NH1 3.03Å; E476-R557 IonicContact OE1-NH2 3.64Å; E476-R557 PolarHBondContact OE1-NH2 3.32Å; E476-R557 IonicContact OE2-CZ 3.17Å; E476-R557 IonicContact OE2-NH1 3.8Å; E476-R557 IonicContact OE2-NH2 3.8Å; E476-R557 PolarHBondContact OE2-NH2 3.06Å; Q489-R557 WeakPolarHBondContact O-CD 3.39Å; Q489-R557 PolarHBondContact O-NH1 2.9Å; V492-R557 HydrophobicContact CG1-CB 3.97Å; C549-R557 WeakPolarHBondContact O-CD 3.37Å; K551-R557 HydrophobicContact CB-CG 4.05Å; K551-R557 PolarHBondContact O-NE 3.26Å; K551-R557 PolarHBondContact O-NH2 2.97Å; K551-R557 VanDerWaalsContact O-NH2 3.14Å; F552-R557 PolarHBondContact O-NH2 2.93Å; F552-R557 VanDerWaalsContact O-NH2 3.1Å; R554-R557 WeakPolarHBondContact O-CB 3.42Å; R554-R557 PolarHBondContact O-N 3.18Å; R554-R557 VanDerWaalsContact O-N 3.09Å
558	P	96	Very high	94.2	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.071	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-67.9	155.2	174.7	29.9	-35.2	0	0	0	111.4	V492 D548 Q562 I563	V492-P558 WeakPolarHBondContact CG1-O 3.42Å; V492-P558 WeakPolarHBondContact CG2-O 3.14Å; D548-P558 HydrophobicContact CB-CG 4.48Å; D548-P558 WeakPolarHBondContact O-CD 3.44Å; P558-Q562 HydrophobicContact CB-CB 4.09Å; P558-I563 HydrophobicContact CB-CG1 4.08Å; P558-I563 HydrophobicContact CG-CD1 4.27Å; P558-I563 HydrophobicContact CG-CG1 3.81Å
559	L	97.5	Very high	93.9	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.325	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-88.6	159.3	169.7	-61.4	178.9	0	0	0	110.9	F488 Q489 P561 Q562 I563	F488-L559 HydrophobicContact CB-CD2 4.09Å; Q489-L559 HydrophobicContact CG-CD2 4.19Å; L559-P561 VanDerWaalsContact C-N 3.32Å; L559-P561 VanDerWaalsContact O-N 3.1Å; L559-Q562 WeakPolarHBondContact O-CB 3.44Å; L559-Q562 PolarHBondContact O-N 2.89Å; L559-I563 PolarHBondContact O-N 3.39Å; L559-I563 VanDerWaalsContact O-N 3.15Å
560	F	98	Very high	93.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-51.5	-33.4	-176.6	-77.1	-78.3	0	0	0	116.5	A414 M417 D418 H421 D491 V492 Y495 Q562 I563 L564	A414-F560 HydrophobicContact CB-CD1 4.07Å; A414-F560 HydrophobicContact CB-CE1 4.47Å; M417-F560 HydrophobicContact CB-CD1 3.63Å; M417-F560 HydrophobicContact CB-CD2 3.82Å; M417-F560 HydrophobicContact CB-CE1 3.42Å; M417-F560 VanDerWaalsContact CB-CE1 3.42Å; M417-F560 HydrophobicContact CB-CE2 3.61Å; M417-F560 HydrophobicContact CB-CG 3.84Å; M417-F560 HydrophobicContact CB-CZ 3.4Å; M417-F560 VanDerWaalsContact CB-CZ 3.4Å; M417-F560 HydrophobicContact CE-CE2 4.12Å; M417-F560 HydrophobicContact CE-CZ 4.32Å; M417-F560 HydrophobicContact CG-CE1 3.94Å; M417-F560 HydrophobicContact CG-CE2 4.23Å; M417-F560 HydrophobicContact CG-CZ 3.72Å; D418-F560 HydrophobicContact CB-CB 3.84Å; H421-F560 AromaticContact CE1-CD2 3.52Å; H421-F560 AromaticContact CE1-CE2 3.48Å; H421-F560 VanDerWaalsContact CE1-CE2 3.48Å; H421-F560 WeakPolarHBondContact CE1-CE2 3.35Å; H421-F560 AromaticContact ND1-CD2 3.43Å; H421-F560 WeakPolarHBondContact ND1-CD2 3.43Å; H421-F560 AromaticContact ND1-CE2 3.91Å; D491-F560 HydrophobicContact CB-CE2 4.44Å; V492-F560 HydrophobicContact CG2-CD2 3.93Å; V492-F560 HydrophobicContact CG2-CE2 3.57Å; V492-F560 HydrophobicContact CG2-CZ 4.12Å; Y495-F560 AromaticContact CD1-CE1 3.9Å; Y495-F560 HydrophobicContact CD1-CE1 3.9Å; Y495-F560 HydrophobicContact CD1-CZ 4.38Å; Y495-F560 AromaticContact CD2-CE1 3.91Å; Y495-F560 HydrophobicContact CD2-CE1 3.91Å; Y495-F560 HydrophobicContact CD2-CZ 4.37Å; Y495-F560 HydrophobicContact CE1-CE1 4.35Å; Y495-F560 HydrophobicContact CE2-CE1 4.35Å; Y495-F560 AromaticContact CG-CE1 3.66Å; Y495-F560 HydrophobicContact CG-CE1 3.66Å; Y495-F560 AromaticContact CG-CZ 3.92Å; Y495-F560 HydrophobicContact CG-CZ 3.92Å; F560-Q562 VanDerWaalsContact C-N 3.29Å; F560-Q562 PolarHBondContact O-N 3.04Å; F560-I563 HydrophobicContact CD1-CD1 4Å; F560-I563 HydrophobicContact CE1-CD1 4.16Å; F560-I563 HydrophobicContact CG-CD1 4.33Å; F560-I563 PolarHBondContact O-N 3.14Å; F560-L564 VanDerWaalsContact O-CB 3.3Å; F560-L564 WeakPolarHBondContact O-CB 3.47Å; F560-L564 PolarHBondContact O-N 3.01Å
561	P	95.3	Very high	92.8	Very high	59 Å²	59	45.4 Å²	45.4	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-34.7	172.3	-25.4	33.5	0	0	0	114.3	D418 L559 A565	D418-P561 WeakPolarHBondContact OD1-CD 3.47Å; D418-P561 VanDerWaalsContact OD1-CG 3.23Å; D418-P561 WeakPolarHBondContact OD1-CG 3.43Å; L559-P561 VanDerWaalsContact C-N 3.32Å; L559-P561 VanDerWaalsContact O-N 3.1Å; P561-A565 WeakPolarHBondContact O-CB 3.48Å; P561-A565 PolarHBondContact O-N 2.84Å
562	Q	94.2	Very high	92.3	Very high	28 Å²	28	48.5 Å²	48.5	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-79.9	-37.8	178.7	-65.2	142.8	1.5	0	0	111.2	F111 L116 P558 L559 F560 T566	F111-Q562 HydrophobicContact CB-CG 4.26Å; F111-Q562 HydrophobicContact CD1-CG 3.86Å; F111-Q562 HydrophobicContact CD2-CB 4.19Å; F111-Q562 HydrophobicContact CD2-CG 3.85Å; F111-Q562 HydrophobicContact CE1-CG 4.15Å; F111-Q562 HydrophobicContact CE2-CG 4.13Å; F111-Q562 HydrophobicContact CG-CB 4.44Å; F111-Q562 HydrophobicContact CG-CG 3.72Å; F111-Q562 HydrophobicContact CZ-CG 4.27Å; L116-Q562 PolarHBondContact O-NE2 3.25Å; P558-Q562 HydrophobicContact CB-CB 4.09Å; L559-Q562 WeakPolarHBondContact O-CB 3.44Å; L559-Q562 PolarHBondContact O-N 2.89Å; F560-Q562 VanDerWaalsContact C-N 3.29Å; F560-Q562 PolarHBondContact O-N 3.04Å; Q562-T566 WeakPolarHBondContact O-CB 3Å; Q562-T566 PolarHBondContact O-N 3.32Å; Q562-T566 VanDerWaalsContact O-N 3.13Å; Q562-T566 PolarHBondContact O-OG1 3.36Å
563	I	96.9	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-54	173.7	-61.8	174.7	0	0	0	109.4	A414 V492 Y495 L545 P558 L559 F560 A565 T566 I567	A414-I563 HydrophobicContact CB-CG2 4.19Å; V492-I563 HydrophobicContact CG1-CD1 3.86Å; V492-I563 HydrophobicContact CG2-CD1 3.99Å; Y495-I563 HydrophobicContact CD1-CD1 4.3Å; Y495-I563 HydrophobicContact CD1-CG2 4.29Å; Y495-I563 HydrophobicContact CE1-CG2 3.51Å; L545-I563 HydrophobicContact CD1-CB 4.36Å; L545-I563 HydrophobicContact CD1-CG1 4.17Å; L545-I563 HydrophobicContact CD1-CG2 4.28Å; L545-I563 HydrophobicContact CD2-CG2 4.14Å; P558-I563 HydrophobicContact CB-CG1 4.08Å; P558-I563 HydrophobicContact CG-CD1 4.27Å; P558-I563 HydrophobicContact CG-CG1 3.81Å; L559-I563 PolarHBondContact O-N 3.39Å; L559-I563 VanDerWaalsContact O-N 3.15Å; F560-I563 HydrophobicContact CD1-CD1 4Å; F560-I563 HydrophobicContact CE1-CD1 4.16Å; F560-I563 HydrophobicContact CG-CD1 4.33Å; F560-I563 PolarHBondContact O-N 3.14Å; I563-A565 PolarHBondContact O-N 3.13Å; I563-T566 WeakPolarHBondContact O-CA 3.44Å; I563-T566 WeakPolarHBondContact O-CB 3.43Å; I563-T566 PolarHBondContact O-N 3.28Å; I563-I567 HydrophobicContact CG2-CD1 3.85Å; I563-I567 WeakPolarHBondContact O-CG1 3.22Å; I563-I567 PolarHBondContact O-N 3.1Å
564	L	95.7	Very high	90.9	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-47.3	-178.6	-178.4	60.1	0	0	0	111.7	R411 A414 Q415 F560 T566 I567 E568	R411-L564 HydrophobicContact CG-CD1 3.92Å; A414-L564 HydrophobicContact CB-CD1 4.48Å; Q415-L564 HydrophobicContact CG-CD1 3.55Å; Q415-L564 HydrophobicContact CG-CD2 3.85Å; Q415-L564 HydrophobicContact CG-CG 4.37Å; F560-L564 VanDerWaalsContact O-CB 3.3Å; F560-L564 WeakPolarHBondContact O-CB 3.47Å; F560-L564 PolarHBondContact O-N 3.01Å; L564-T566 PolarHBondContact O-N 3.31Å; L564-I567 PolarHBondContact O-N 2.76Å; L564-I567 VanDerWaalsContact O-N 3.15Å; L564-E568 HydrophobicContact CD1-CG 4.03Å; L564-E568 HydrophobicContact CG-CG 4.31Å; L564-E568 WeakPolarHBondContact O-CB 3.21Å; L564-E568 WeakPolarHBondContact O-CG 3.44Å; L564-E568 PolarHBondContact O-N 3.35Å
565	A	91.7	Very high	89.6	Confident	8 Å²	8	46.5 Å²	46.5	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-31.7	176	0	0	0	0	0	113.1	L109 F111 P561 I563 L569	L109-A565 HydrophobicContact CD2-CB 4.06Å; L109-A565 HydrophobicContact CG-CB 4.22Å; F111-A565 HydrophobicContact CD2-CB 4.06Å; F111-A565 HydrophobicContact CE2-CB 3.72Å; P561-A565 WeakPolarHBondContact O-CB 3.48Å; P561-A565 PolarHBondContact O-N 2.84Å; I563-A565 PolarHBondContact O-N 3.13Å; A565-L569 VanDerWaalsContact O-CB 3.29Å; A565-L569 WeakPolarHBondContact O-CB 3.47Å; A565-L569 PolarHBondContact O-N 2.95Å
566	T	91.6	Very high	88	Confident	40 Å²	40	49.2 Å²	49.2	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-73	-42.1	176	-57.9	0	0	0	0	111.5	L545 Q562 I563 L564 L570	L545-T566 HydrophobicContact CB-CG2 4.35Å; L545-T566 HydrophobicContact CD1-CG2 4.33Å; L545-T566 HydrophobicContact CD2-CG2 4.12Å; Q562-T566 WeakPolarHBondContact O-CB 3Å; Q562-T566 PolarHBondContact O-N 3.32Å; Q562-T566 VanDerWaalsContact O-N 3.13Å; Q562-T566 PolarHBondContact O-OG1 3.36Å; I563-T566 WeakPolarHBondContact O-CA 3.44Å; I563-T566 WeakPolarHBondContact O-CB 3.43Å; I563-T566 PolarHBondContact O-N 3.28Å; L564-T566 PolarHBondContact O-N 3.31Å; T566-L570 WeakPolarHBondContact O-CB 3.5Å; T566-L570 PolarHBondContact O-N 2.98Å
567	I	93.3	Very high	86.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-41.2	178.5	-60.4	172.3	0	0	0	111.4	I407 A410 R411 A414 Y495 M542 L545 I563 L564 L569 L570 Q571	I407-I567 HydrophobicContact CG2-CG2 4.04Å; A410-I567 HydrophobicContact CB-CD1 4.47Å; R411-I567 HydrophobicContact CB-CG2 3.63Å; R411-I567 HydrophobicContact CG-CG2 4.05Å; A414-I567 HydrophobicContact CB-CD1 4.27Å; Y495-I567 WeakPolarHBondContact OH-CD1 3.36Å; M542-I567 HydrophobicContact CE-CG1 4.27Å; L545-I567 HydrophobicContact CD2-CD1 3.86Å; L545-I567 HydrophobicContact CD2-CG1 3.4Å; L545-I567 VanDerWaalsContact CD2-CG1 3.4Å; I563-I567 HydrophobicContact CG2-CD1 3.85Å; I563-I567 WeakPolarHBondContact O-CG1 3.22Å; I563-I567 PolarHBondContact O-N 3.1Å; L564-I567 PolarHBondContact O-N 2.76Å; L564-I567 VanDerWaalsContact O-N 3.15Å; I567-L569 VanDerWaalsContact C-N 3.34Å; I567-L569 PolarHBondContact O-N 2.72Å; I567-L570 WeakPolarHBondContact O-CB 3.37Å; I567-L570 PolarHBondContact O-N 3.25Å; I567-L570 VanDerWaalsContact O-N 3.16Å; I567-Q571 PolarHBondContact O-N 2.86Å
568	E	91.2	Very high	84.1	Confident	56 Å²	56	59.9 Å²	59.9	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-38.9	175.6	-72.8	-174.8	179.3	0	0	112.3	L564 L570 Q571 R572	L564-E568 HydrophobicContact CD1-CG 4.03Å; L564-E568 HydrophobicContact CG-CG 4.31Å; L564-E568 WeakPolarHBondContact O-CB 3.21Å; L564-E568 WeakPolarHBondContact O-CG 3.44Å; L564-E568 PolarHBondContact O-N 3.35Å; E568-L570 VanDerWaalsContact C-N 3.31Å; E568-Q571 PolarHBondContact O-N 2.86Å; E568-R572 VanDerWaalsContact O-CG 3.31Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE2-NH2 2.76Å
569	L	86.9	Confident	81.7	Confident	71 Å²	71	68.9 Å²	68.9	37%	0.372	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-40.5	172.9	179.9	62.7	0	0	0	111.1	A565 I567 R572 S573	A565-L569 VanDerWaalsContact O-CB 3.29Å; A565-L569 WeakPolarHBondContact O-CB 3.47Å; A565-L569 PolarHBondContact O-N 2.95Å; I567-L569 VanDerWaalsContact C-N 3.34Å; I567-L569 PolarHBondContact O-N 2.72Å; L569-R572 PolarHBondContact O-N 3.08Å; L569-S573 PolarHBondContact O-N 3.3Å
570	L	86.4	Confident	79.4	Confident	11 Å²	11	71.5 Å²	71.5	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-48.3	176	175.4	62.1	0	0	0	111.7	I407 P539 A541 M542 T566 I567 E568 R572 S573 L574	I407-L570 HydrophobicContact CD1-CD2 3.86Å; I407-L570 HydrophobicContact CD1-CG 4.36Å; I407-L570 HydrophobicContact CG1-CD2 4.43Å; I407-L570 HydrophobicContact CG2-CD2 4.4Å; P539-L570 HydrophobicContact CB-CD1 3.45Å; P539-L570 VanDerWaalsContact CB-CD1 3.45Å; P539-L570 HydrophobicContact CB-CD2 4.14Å; P539-L570 HydrophobicContact CB-CG 4.4Å; P539-L570 HydrophobicContact CG-CD1 3.89Å; P539-L570 HydrophobicContact CG-CD2 4.28Å; A541-L570 HydrophobicContact CB-CD1 4.46Å; M542-L570 HydrophobicContact CB-CD2 3.75Å; M542-L570 HydrophobicContact CE-CD2 4.13Å; T566-L570 WeakPolarHBondContact O-CB 3.5Å; T566-L570 PolarHBondContact O-N 2.98Å; I567-L570 WeakPolarHBondContact O-CB 3.37Å; I567-L570 PolarHBondContact O-N 3.25Å; I567-L570 VanDerWaalsContact O-N 3.16Å; E568-L570 VanDerWaalsContact C-N 3.31Å; L570-R572 PolarHBondContact O-N 2.91Å; L570-S573 WeakPolarHBondContact O-CA 3.32Å; L570-S573 PolarHBondContact O-N 3.06Å; L570-S573 PolarHBondContact O-OG 2.86Å; L570-L574 PolarHBondContact O-N 2.97Å; L570-L574 VanDerWaalsContact O-N 3.1Å
571	Q	85.3	Confident	76.7	Confident	54 Å²	54	76.6 Å²	76.6	25%	0.252	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-30.4	-179.4	-166.2	-178.8	36.3	0	0	112.5	D408 I567 E568 S573	D408-Q571 PolarHBondContact OD1-NE2 3.28Å; I567-Q571 PolarHBondContact O-N 2.86Å; E568-Q571 PolarHBondContact O-N 2.86Å; Q571-S573 VanDerWaalsContact C-N 3.32Å
572	R	81.7	Confident	74.5	Confident	138 Å²	138	78.2 Å²	78.2	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-73.4	-21	172.5	-67.7	171.2	-164.8	-173	6.7	113.9	E568 L569 L570	E568-R572 VanDerWaalsContact O-CG 3.31Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE2-NH2 2.76Å; L569-R572 PolarHBondContact O-N 3.08Å; L570-R572 PolarHBondContact O-N 2.91Å
573	S	77.6	Confident	72.1	Confident	86 Å²	86	85.7 Å²	85.7	60%	0.601	45%	0.453	S	S	*	.	H	α-helix	trans	-96.9	-12.5	-179.8	68.1	0	0	0	0	114.5	L569 L570 Q571	L569-S573 PolarHBondContact O-N 3.3Å; L570-S573 WeakPolarHBondContact O-CA 3.32Å; L570-S573 PolarHBondContact O-N 3.06Å; L570-S573 PolarHBondContact O-OG 2.86Å; Q571-S573 VanDerWaalsContact C-N 3.32Å
574	L	75.4	Confident	69.5	Low	26 Å²	26	91 Å²	91	14%	0.136	49%	0.488	C	S	.	.	S	Bend	trans	-68.8	139.6	171.3	-66.4	169.5	0	0	0	110	V404 I407 P539 L570 K576	V404-L574 HydrophobicContact CG2-CD1 4.37Å; I407-L574 HydrophobicContact CB-CD1 4.36Å; I407-L574 HydrophobicContact CD1-CD1 3.63Å; I407-L574 HydrophobicContact CD1-CD2 4.17Å; I407-L574 HydrophobicContact CD1-CG 4.44Å; I407-L574 HydrophobicContact CG2-CD1 4.17Å; P539-L574 HydrophobicContact CG-CD2 3.88Å; L570-L574 PolarHBondContact O-N 2.97Å; L570-L574 VanDerWaalsContact O-N 3.1Å; L574-K576 PolarHBondContact O-N 2.8Å
575	P	67.9	Low	66.8	Low	103 Å²	103	95.2 Å²	95.2	67%	0.669	52%	0.519	S	S	*	.			trans	-62.8	111.8	166.6	27.2	-32	0	0	0	108.2	I577	P575-I577 PolarHBondContact O-N 3.12Å; P575-I577 VanDerWaalsContact O-N 3.07Å
576	K	58.4	Low	64.4	Low	174 Å²	174	102.5 Å²	102.5	76%	0.757	56%	0.556	S	S	*	*	S	Bend	trans	-68.8	-4.1	-177.5	-64.6	-175.4	177.8	-176.8	0	114.1	L574	L574-K576 PolarHBondContact O-N 2.8Å
577	I	54.8	Low	61.8	Low	109 Å²	109	109.5 Å²	109.5	56%	0.559	59%	0.586	S	S	*	*	S	Bend	trans	-143.5	119.5	-176.1	-51.6	179.1	0	0	0	106.9	P575 R579	P575-I577 PolarHBondContact O-N 3.12Å; P575-I577 VanDerWaalsContact O-N 3.07Å; I577-R579 HydrophobicContact CG2-CB 3.81Å; I577-R579 HydrophobicContact CG2-CG 3.68Å; I577-R579 PolarHBondContact O-N 2.86Å
578	E	49.9	Very low	59.2	Low	200 Å²	200	120.2 Å²	120.2	94%	0.935	63%	0.626	S	S	*	*			trans	-71.4	84.5	159.8	-72.8	-169.1	155.3	0	0	108.6
579	R	45.5	Very low	56.4	Low	201 Å²	201	123.5 Å²	123.5	76%	0.758	65%	0.65	S	S	*	*			trans	-134.3	118.5	165.8	-87.6	-175.7	162.8	85.4	1.1	108.7	I577	I577-R579 HydrophobicContact CG2-CB 3.81Å; I577-R579 HydrophobicContact CG2-CG 3.68Å; I577-R579 PolarHBondContact O-N 2.86Å
580	S	50	Low	54.1	Low	116 Å²	116	129.2 Å²	129.2	81%	0.811	68%	0.675	S	S	*	*			trans	-48	139.7	153.7	-53.7	0	0	0	0	108.2	S582	S580-S582 VanDerWaalsContact C-N 3.31Å; S580-S582 PolarHBondContact O-N 3.28Å
581	A	40	Very low	51.7	Low	108 Å²	108	132.6 Å²	132.6	89%	0.893	70%	0.704	S	S	*	*			trans	-66.7	87.7	-176	0	0	0	0	0	111.2	E583	A581-E583 PolarHBondContact O-N 3.39Å
582	S	49.2	Very low	49.5	Very low	93 Å²	93	137.2 Å²	137.2	65%	0.65	73%	0.73	S	S	*	*			trans	-72.1	118.9	160.6	55.3	0	0	0	0	107.6	S580	S580-S582 VanDerWaalsContact C-N 3.31Å; S580-S582 PolarHBondContact O-N 3.28Å
583	E	43.6	Very low	47.4	Very low	184 Å²	184	139.2 Å²	139.2	86%	0.86	75%	0.746	S	S	*	*			trans	-52.3	133.7	171.7	-75.3	-172.6	123.4	0	0	110.1	A581 S585	A581-E583 PolarHBondContact O-N 3.39Å; E583-S585 PolarHBondContact O-N 3.4Å
584	P	43.8	Very low	45.4	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	76%	0.76	S	S	*	*			trans	-69.8	103.8	171	29.1	-31.7	0	0	0	108	L586	P584-L586 VanDerWaalsContact C-N 3.26Å; P584-L586 PolarHBondContact O-N 3.06Å
585	S	38.6	Very low	43.5	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	79%	0.789	S	S	*	*			trans	-67.6	79.2	179.7	59.6	0	0	0	0	111.6	E583 H587	E583-S585 PolarHBondContact O-N 3.4Å; S585-H587 VanDerWaalsContact C-N 3.28Å; S585-H587 PolarHBondContact O-N 3.48Å
586	L	41.2	Very low	41.9	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	79%	0.794	S	S	*	*			trans	-78.5	73.8	173.1	-76.5	174.6	0	0	0	110.8	P584 R588	P584-L586 VanDerWaalsContact C-N 3.26Å; P584-L586 PolarHBondContact O-N 3.06Å; L586-R588 PolarHBondContact O-N 3.31Å
587	H	37	Very low	40.9	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	80%	0.799	S	S	*	*			trans	-76.4	91.9	160	-95.5	70.8	0	0	0	109.6	S585	S585-H587 VanDerWaalsContact C-N 3.28Å; S585-H587 PolarHBondContact O-N 3.48Å
588	R	38.9	Very low	40.1	Very low	224 Å²	224	147.9 Å²	147.9	85%	0.845	82%	0.816	S	S	*	*			trans	-156.2	121.7	156.4	-140.6	157.6	-177.4	151.6	1.5	114.2	L586	L586-R588 PolarHBondContact O-N 3.31Å
589	T	32.8	Very low	39.3	Very low	125 Å²	125	146.8 Å²	146.8	77%	0.767	82%	0.815	S	S	*	*			trans	63.1	95.1	155.7	48.8	0	0	0	0	120.2
590	Q	38.3	Very low	38.9	Very low	192 Å²	192	142.8 Å²	142.8	90%	0.897	82%	0.818	S	S	*	*				-127.4	118.8	116.1	-68.2	-174.3	-6.8	0	0	105.1
591	A	36.8	Very low	38.5	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	82%	0.817	S	S	*	*				76.1	106.2	70.7	0	0	0	0	0	111.8
592	D	38.2	Very low	38.5	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	81%	0.809	S	S	*	*			trans	66.7	125.2	155.8	-53.5	-35.9	0	0	0	122.2
593	E	37	Very low	38.2	Very low	180 Å²	180	147.8 Å²	147.8	84%	0.841	82%	0.821	S	S	*	*			trans	51.8	108.7	149.5	-56	-165.9	130.3	0	0	121.1
594	L	36.7	Very low	38.1	Very low	173 Å²	173	146.6 Å²	146.6	91%	0.906	82%	0.82	S	S	*	*				178.7	153.3	107.8	-89.2	160.6	0	0	0	110.8
595	P	35.9	Very low	37.9	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	82%	0.821	S	S	*	*			trans	-94.7	142.3	-161.4	-0.8	20.9	0	0	0	115.8
596	A	33	Very low	38.7	Very low	95 Å²	95	151.4 Å²	151.4	79%	0.785	85%	0.846	S	S	*	*			trans	23.7	103.2	142.8	0	0	0	0	0	119.5
597	C	37	Very low	38.6	Very low	126 Å²	126	150.9 Å²	150.9	85%	0.851	85%	0.845	S	S	*	*			trans	-158.3	155.1	139	-103.2	0	0	0	0	111.5
598	L	38.1	Very low	38.6	Very low	173 Å²	173	148.9 Å²	148.9	91%	0.906	84%	0.844	S	S	*	*			trans	73.4	66.5	171.2	-50.2	-176.1	0	0	0	118.1
599	L	33.9	Very low	38.6	Very low	177 Å²	177	144.8 Å²	144.8	93%	0.927	84%	0.844	S	S	*	*			trans	-131.1	94.7	150.3	-122.2	174.9	0	0	0	109.2
600	S	37.4	Very low	39	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	85%	0.849	S	S	*	*			trans	-175	152.9	150.3	-160.1	0	0	0	0	112.9
601	A	40.1	Very low	39	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	85%	0.846	S	S	*	*			trans	64.9	140.2	168.4	0	0	0	0	0	118.1
602	A	40.7	Very low	39.1	Very low	89 Å²	89	147.2 Å²	147.2	74%	0.736	86%	0.858	S	S	*	*			cis	-159.6	130.4	-19.2	0	0	0	0	0	106.7
603	R	43.3	Very low	39.2	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.898	86%	0.861	S	S	*	*				45.4	126.1	97.3	-86.3	-166.9	176.5	-166.1	0.2	116.9
604	L	42	Very low	39.4	Very low	159 Å²	159	144.4 Å²	144.4	83%	0.832	86%	0.863	S	S	*	*			trans	101.7	94.3	160.2	-58.5	159.7	0	0	0	115.1
605	V	39.5	Very low	39.6	Very low	124 Å²	124	142 Å²	142	75%	0.752	86%	0.859	S	S	*	*				58.9	120.2	65.2	-170.2	0	0	0	0	112.1
606	P	54.4	Low	39.9	Very low	197 Å²	197	144.5 Å²	144.5	100%	1.279	87%	0.87	S	S	*	*				-101.3	0	98.4	31.4	-37.3	0	0	0	113.9

Retrieved 606 of 606 residues in 195 ms (Link to these results)

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