A0A096MVH2_PAPAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (A0A2K6BZB6), UniProt , Accession A0A096MVH2, Species PAPAN (Papio anubis, Olive baboon), Gene ARAF, Length 606 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	42.1	Very low	246 Å²	246	141.2 Å²	141.2	100%	1.212	84%	0.835	S	S	*	*				0	100.8	0	-88.3	-176.3	170.2	0	0	108.3
2	E	34.5	Very low	42	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	83%	0.834	S	S	*	*			trans	-177	138.3	133.1	-116.4	-171.3	114.9	0	0	106.9
3	P	44.9	Very low	42.2	Very low	105 Å²	105	140.8 Å²	140.8	68%	0.682	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-85.2	164.1	-173.9	35.2	-32	0	0	0	111.7	R5	P3-R5 PolarHBondContact O-N 3.12Å
4	P	44.2	Very low	42.5	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-67.6	130.9	174.7	27	-31.2	0	0	0	110.8	G6	P4-G6 PolarHBondContact O-N 3.32Å
5	R	47.9	Very low	43.3	Very low	240 Å²	240	134.1 Å²	134.1	91%	0.906	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60.8	123.7	176.3	-71.6	178.6	-178	178.5	0.3	110.2	P3	P3-R5 PolarHBondContact O-N 3.12Å
6	G	41.6	Very low	44.2	Very low	62 Å²	62	139.6 Å²	139.6	64%	0.639	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65	164.9	174.6	0	0	0	0	0	113.3	P4	P4-G6 PolarHBondContact O-N 3.32Å
7	P	46.6	Very low	45.1	Very low	125 Å²	125	135.4 Å²	135.4	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.8	151.2	-178.3	29.3	-33.2	0	0	0	111.2	A9	P7-A9 PolarHBondContact O-N 3Å
8	P	38.9	Very low	46.2	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.4	133.1	179.3	26.6	-31.8	0	0	0	110.5	N10	P8-N10 PolarHBondContact O-N 2.78Å; P8-N10 VanDerWaalsContact O-N 3.09Å
9	A	39.9	Very low	48.1	Very low	102 Å²	102	126.2 Å²	126.2	84%	0.843	74%	0.743	S	S	*	*			trans	-62.4	107.6	179.4	0	0	0	0	0	111	P7 G11	P7-A9 PolarHBondContact O-N 3Å; A9-G11 PolarHBondContact O-N 3.12Å
10	N	45.2	Very low	50.1	Low	177 Å²	177	123.5 Å²	123.5	95%	0.947	73%	0.728	S	S	*	*			trans	-72.1	109.8	155	-96.9	-18.6	0	0	0	107.7	P8	P8-N10 PolarHBondContact O-N 2.78Å; P8-N10 VanDerWaalsContact O-N 3.09Å
11	G	34.8	Very low	52	Low	65 Å²	65	117.6 Å²	117.6	67%	0.67	69%	0.693	S	S	*	*			trans	-163.4	55	-179.8	0	0	0	0	0	112.4	A9 E13	A9-G11 PolarHBondContact O-N 3.12Å; G11-E13 VanDerWaalsContact C-N 3.33Å; G11-E13 PolarHBondContact O-N 2.57Å
12	A	41.5	Very low	54.1	Low	100 Å²	100	111.6 Å²	111.6	83%	0.826	66%	0.66	S	S	*	*			trans	-77.2	96.8	150.9	0	0	0	0	0	106
13	E	44.2	Very low	56.8	Low	177 Å²	177	103.2 Å²	103.2	83%	0.827	62%	0.621	S	S	*	*			trans	-52.4	132.9	168.9	-79.6	-160.1	145.2	0	0	109	G11 S15	G11-E13 VanDerWaalsContact C-N 3.33Å; G11-E13 PolarHBondContact O-N 2.57Å; E13-S15 PolarHBondContact O-N 3.46Å; E13-S15 VanDerWaalsContact O-N 3.16Å
14	P	46.5	Very low	58.9	Low	119 Å²	119	102.6 Å²	102.6	77%	0.773	61%	0.606	S	S	*	*			trans	-61.3	122	168.6	24.2	-29	0	0	0	107.7	R16	P14-R16 PolarHBondContact O-N 2.96Å
15	S	55.3	Low	60.8	Low	62 Å²	62	96.8 Å²	96.8	43%	0.434	57%	0.568	S	S	.	*			trans	-45.7	116	175.5	48.3	0	0	0	0	109.5	E13 A17	E13-S15 PolarHBondContact O-N 3.46Å; E13-S15 VanDerWaalsContact O-N 3.16Å; S15-A17 PolarHBondContact O-N 3.13Å
16	R	56.6	Low	61.9	Low	223 Å²	223	86.4 Å²	86.4	84%	0.842	53%	0.532	S	S	*	.			trans	-53.5	128.7	176.9	-102.1	175	151.9	169.5	-6.5	107.9	P14 V18	P14-R16 PolarHBondContact O-N 2.96Å; R16-V18 WeakPolarHBondContact O-CG2 3.39Å; R16-V18 PolarHBondContact O-N 2.72Å; R16-V18 VanDerWaalsContact O-N 3.15Å
17	A	59.6	Low	63.1	Low	68 Å²	68	90.5 Å²	90.5	56%	0.562	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	118.3	172.2	0	0	0	0	0	107.9	S15 V35	S15-A17 PolarHBondContact O-N 3.13Å; A17-V35 WeakPolarHBondContact CA-O 3.37Å
18	V	66.3	Low	64.3	Low	75 Å²	75	94.8 Å²	94.8	46%	0.455	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-19.7	-172.2	-175.1	0	0	0	0	111.1	R16 V35	R16-V18 WeakPolarHBondContact O-CG2 3.39Å; R16-V18 PolarHBondContact O-N 2.72Å; R16-V18 VanDerWaalsContact O-N 3.15Å; V18-V35 HydrophobicContact CB-CG1 4.34Å; V18-V35 PolarHBondContact N-O 2.97Å
19	G	81.9	Confident	65.9	Low	21 Å²	21	92.8 Å²	92.8	22%	0.216	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-154.6	176.6	0	0	0	0	0	114.1	V35 D82	G19-V35 PolarHBondContact O-N 2.98Å; G19-D82 VanDerWaalsContact CA-OD1 3.22Å; G19-D82 WeakPolarHBondContact CA-OD1 3.27Å
20	T	88.1	Confident	68	Low	72 Å²	72	98 Å²	98	44%	0.442	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.3	-179.1	59.6	0	0	0	0	113.1	V32 V33 D82 G83	T20-V32 HydrophobicContact CG2-CG1 4.02Å; T20-V33 WeakPolarHBondContact CA-O 3.4Å; T20-D82 PolarHBondContact N-OD1 3.34Å; T20-G83 PolarHBondContact O-N 2.96Å
21	V	89.3	Confident	70.1	Confident	0 Å²	0	91.1 Å²	91.1	0%	0	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.6	173.8	-173.8	0	0	0	0	109.8	V23 V32 V33 V35 I78 L81 E84 L86	V21-V23 HydrophobicContact CG1-CG2 4.36Å; V21-V32 WeakPolarHBondContact O-CA 3.4Å; V21-V33 HydrophobicContact CB-CG2 3.99Å; V21-V33 PolarHBondContact N-O 2.9Å; V21-V33 PolarHBondContact O-N 2.6Å; V21-V35 HydrophobicContact CG2-CG2 3.47Å; V21-V35 VanDerWaalsContact CG2-CG2 3.47Å; V21-I78 HydrophobicContact CG2-CD1 4.19Å; V21-I78 HydrophobicContact CG2-CG1 4.02Å; V21-L81 HydrophobicContact CG2-CB 4.16Å; V21-L81 VanDerWaalsContact CG2-O 3.3Å; V21-L81 WeakPolarHBondContact CG2-O 3.43Å; V21-E84 WeakPolarHBondContact CG1-O 3.48Å; V21-L86 HydrophobicContact CG1-CD1 3.87Å; V21-L86 HydrophobicContact CG1-CG 3.78Å
22	K	89.3	Confident	72.6	Confident	119 Å²	119	92.2 Å²	92.2	52%	0.517	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.4	171.5	-69.5	176.7	-174.1	167	0	109.4	V32 E84 E85 L86	K22-V32 HydrophobicContact CG-CG2 4.4Å; K22-E84 PolarHBondContact N-O 2.78Å; K22-E85 HydrophobicContact CB-CG 4.33Å; K22-E85 WeakPolarHBondContact O-CA 3.45Å; K22-L86 PolarHBondContact O-N 2.9Å
23	V	90.5	Very high	74.8	Confident	2 Å²	2	88 Å²	88	1%	0.012	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.4	-176.1	-172	0	0	0	0	109	V21 L25 R30 T31 V33 L45 L86 V88	V21-V23 HydrophobicContact CG1-CG2 4.36Å; V23-L25 HydrophobicContact CG1-CD2 4.1Å; V23-L25 HydrophobicContact CG1-CG 4.36Å; V23-R30 CarbonylContact O-C 3.24Å; V23-R30 WeakPolarHBondContact O-CA 3.22Å; V23-T31 HydrophobicContact CB-CG2 3.84Å; V23-T31 HydrophobicContact CG1-CG2 4.45Å; V23-T31 HydrophobicContact CG2-CG2 4.47Å; V23-T31 PolarHBondContact N-O 3.11Å; V23-T31 PolarHBondContact O-N 2.78Å; V23-V33 HydrophobicContact CG2-CG1 4.36Å; V23-V33 HydrophobicContact CG2-CG2 3.79Å; V23-L45 HydrophobicContact CB-CD2 4.22Å; V23-L45 HydrophobicContact CG1-CD2 3.77Å; V23-L45 HydrophobicContact CG2-CD2 3.69Å; V23-L86 CarbonylContact C-O 3.57Å; V23-L86 WeakPolarHBondContact CA-O 3.08Å; V23-L86 HydrophobicContact CG1-CB 4.31Å; V23-L86 HydrophobicContact CG2-CB 4.35Å; V23-V88 HydrophobicContact CG1-CG2 3.7Å
24	Y	88.5	Confident	76.8	Confident	92 Å²	92	83 Å²	83	36%	0.361	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.9	169.7	-61	-86.7	0	0	0	108.2	E85 L86 I87 V88	Y24-E85 HydrophobicContact CE2-CB 4.02Å; Y24-E85 HydrophobicContact CE2-CG 4.1Å; Y24-E85 PolarHBondContact OH-OE1 3Å; Y24-L86 PolarHBondContact N-O 2.99Å; Y24-I87 HydrophobicContact CD2-CG1 4.25Å; Y24-I87 CarbonylContact O-C 3.55Å; Y24-I87 WeakPolarHBondContact O-CA 3.38Å; Y24-V88 PolarHBondContact O-N 2.61Å
25	L	83.3	Confident	78.6	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	165.3	-178.4	-68.4	168	0	0	0	110.1	V23 Q29 T31 L49 V88	V23-L25 HydrophobicContact CG1-CD2 4.1Å; V23-L25 HydrophobicContact CG1-CG 4.36Å; L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 PolarHBondContact N-O 3.4Å; L25-Q29 PolarHBondContact O-N 2.81Å; L25-T31 HydrophobicContact CD1-CG2 3.62Å; L25-T31 HydrophobicContact CG-CG2 4.17Å; L25-L49 HydrophobicContact CD2-CD2 3.84Å; L25-V88 HydrophobicContact CD2-CB 4.1Å; L25-V88 HydrophobicContact CD2-CG2 3.98Å
26	P	72.2	Confident	80	Confident	22 Å²	22	79.9 Å²	79.9	14%	0.143	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	155.9	174.5	-27.5	37.2	0	0	0	112.6	L54 V88 V90	P26-L54 HydrophobicContact CB-CD1 4.36Å; P26-L54 HydrophobicContact CG-CD1 3.77Å; P26-V88 WeakPolarHBondContact CD-O 3.48Å; P26-V88 WeakPolarHBondContact CG-O 3.46Å; P26-V90 HydrophobicContact CB-CG2 3.74Å; P26-V90 HydrophobicContact CG-CG2 3.48Å; P26-V90 VanDerWaalsContact CG-CG2 3.48Å
27	N	65.7	Low	81	Confident	147 Å²	147	74 Å²	74	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	35.6	-176.7	-56.4	-37.3	0	0	0	114.9	Q29	N27-Q29 PolarHBondContact O-N 3.16Å; N27-Q29 VanDerWaalsContact O-N 3.16Å
28	K	72.2	Confident	82	Confident	215 Å²	215	74.8 Å²	74.8	94%	0.935	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	26	178	-55.7	-179.5	178.7	179.7	0	113.6
29	Q	74.1	Confident	83	Confident	84 Å²	84	73.5 Å²	73.5	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	157.5	176.7	-63.5	-171.1	7.5	0	0	110.7	L25 N27	L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 PolarHBondContact N-O 3.4Å; L25-Q29 PolarHBondContact O-N 2.81Å; N27-Q29 PolarHBondContact O-N 3.16Å; N27-Q29 VanDerWaalsContact O-N 3.16Å
30	R	83.8	Confident	83.4	Confident	210 Å²	210	73.4 Å²	73.4	79%	0.792	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	144	175.5	65.5	-176.4	-178.1	-174.8	0.3	111	V23	V23-R30 CarbonylContact O-C 3.24Å; V23-R30 WeakPolarHBondContact O-CA 3.22Å
31	T	87.8	Confident	83.4	Confident	33 Å²	33	70 Å²	70	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.7	170	-165.1	0	0	0	0	109.4	V23 L25 V33 A48	V23-T31 HydrophobicContact CB-CG2 3.84Å; V23-T31 HydrophobicContact CG1-CG2 4.45Å; V23-T31 HydrophobicContact CG2-CG2 4.47Å; V23-T31 PolarHBondContact N-O 3.11Å; V23-T31 PolarHBondContact O-N 2.78Å; L25-T31 HydrophobicContact CD1-CG2 3.62Å; L25-T31 HydrophobicContact CG-CG2 4.17Å; T31-V33 HydrophobicContact CG2-CG1 4.31Å; T31-A48 HydrophobicContact CG2-CB 4.16Å
32	V	87.8	Confident	83.4	Confident	88 Å²	88	74.8 Å²	74.8	53%	0.533	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.1	171.4	-178.4	0	0	0	0	107.2	T20 V21 K22	T20-V32 HydrophobicContact CG2-CG1 4.02Å; V21-V32 WeakPolarHBondContact O-CA 3.4Å; K22-V32 HydrophobicContact CG-CG2 4.4Å
33	V	88.3	Confident	83.3	Confident	13 Å²	13	73 Å²	73	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.8	177.6	-62.6	0	0	0	0	109.8	T20 V21 V23 T31 S44 L45 I78	T20-V33 WeakPolarHBondContact CA-O 3.4Å; V21-V33 HydrophobicContact CB-CG2 3.99Å; V21-V33 PolarHBondContact N-O 2.9Å; V21-V33 PolarHBondContact O-N 2.6Å; V23-V33 HydrophobicContact CG2-CG1 4.36Å; V23-V33 HydrophobicContact CG2-CG2 3.79Å; T31-V33 HydrophobicContact CG2-CG1 4.31Å; V33-S44 WeakPolarHBondContact CG1-O 3.3Å; V33-L45 HydrophobicContact CG1-CD2 4.04Å; V33-L45 HydrophobicContact CG2-CD2 4.37Å; V33-I78 HydrophobicContact CG2-CD1 3.85Å
34	T	86.1	Confident	83.1	Confident	72 Å²	72	73.6 Å²	73.6	44%	0.442	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.3	178.9	53.3	0	0	0	0	110.2
35	V	84	Confident	83.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.5	174.9	178.4	0	0	0	0	109.1	A17 V18 G19 V21 I78 A79 D82	A17-V35 WeakPolarHBondContact CA-O 3.37Å; V18-V35 HydrophobicContact CB-CG1 4.34Å; V18-V35 PolarHBondContact N-O 2.97Å; G19-V35 PolarHBondContact O-N 2.98Å; V21-V35 HydrophobicContact CG2-CG2 3.47Å; V21-V35 VanDerWaalsContact CG2-CG2 3.47Å; V35-I78 HydrophobicContact CG1-CG2 4.27Å; V35-I78 HydrophobicContact CG2-CG1 4.47Å; V35-A79 HydrophobicContact CG1-CB 4.31Å; V35-D82 HydrophobicContact CG2-CB 4.25Å
36	R	84.9	Confident	83.1	Confident	115 Å²	115	70.3 Å²	70.3	43%	0.434	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.9	172.1	-58.4	-175.7	-176.4	-172.5	-3.4	109.1	G38 M39	R36-G38 PolarHBondContact O-N 2.71Å; R36-M39 HydrophobicContact CB-CG 4.04Å; R36-M39 HydrophobicContact CB-SD 3.79Å; R36-M39 HydrophobicContact CG-SD 4.04Å; R36-M39 PolarHBondContact O-N 3.1Å
37	D	77.6	Confident	83.4	Confident	100 Å²	100	77.2 Å²	77.2	54%	0.535	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	135.4	175.7	-73.8	-23.4	0	0	0	110.9	M39 A79	D37-M39 VanDerWaalsContact C-N 3.35Å; D37-A79 WeakPolarHBondContact OD1-CB 3.07Å
38	G	80.6	Confident	84.1	Confident	83 Å²	83	70.9 Å²	70.9	86%	0.856	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1	-177.4	0	0	0	0	0	115.9	R36	R36-G38 PolarHBondContact O-N 2.71Å
39	M	87.6	Confident	84.4	Confident	49 Å²	49	60.6 Å²	60.6	24%	0.241	31%	0.313	C	S	.	.			trans	-87.8	140.5	172.3	-71.5	-171.1	73.9	0	0	111.9	R36 D37 D43 I78	R36-M39 HydrophobicContact CB-CG 4.04Å; R36-M39 HydrophobicContact CB-SD 3.79Å; R36-M39 HydrophobicContact CG-SD 4.04Å; R36-M39 PolarHBondContact O-N 3.1Å; D37-M39 VanDerWaalsContact C-N 3.35Å; M39-D43 HydrophobicContact CB-CB 4.46Å; M39-D43 HydrophobicContact CE-CB 3.53Å; M39-I78 HydrophobicContact CB-CG2 3.92Å; M39-I78 WeakPolarHBondContact O-CG2 3.45Å; M39-I78 PolarHBondContact O-N 3.31Å
40	S	90.9	Very high	84.3	Confident	19 Å²	19	62.4 Å²	62.4	13%	0.133	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-88.1	164.7	169.7	65.4	0	0	0	0	111.8	Y42 D43 S44 T76	S40-Y42 PolarHBondContact O-N 3.49Å; S40-Y42 WeakPolarHBondContact OG-CB 3.45Å; S40-Y42 PolarHBondContact OG-N 3.25Å; S40-D43 PolarHBondContact N-OD2 2.87Å; S40-D43 VanDerWaalsContact N-OD2 3.13Å; S40-D43 PolarHBondContact O-N 2.75Å; S40-D43 VanDerWaalsContact O-N 3.15Å; S40-D43 PolarHBondContact OG-N 2.77Å; S40-D43 VanDerWaalsContact OG-N 3.17Å; S40-D43 PolarHBondContact OG-OD2 2.97Å; S40-S44 PolarHBondContact O-N 3.13Å; S40-S44 VanDerWaalsContact O-N 3.11Å; S40-S44 PolarHBondContact O-OG 2.94Å; S40-T76 CarbonylContact C-O 3.53Å; S40-T76 WeakPolarHBondContact CA-O 3.44Å
41	V	87.8	Confident	83.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-54.1	-37.2	168.7	171.3	0	0	0	0	110.7	L45 V61 T72 W74 T76 L81	V41-L45 HydrophobicContact CG1-CD1 3.64Å; V41-L45 HydrophobicContact CG1-CG 4.26Å; V41-L45 WeakPolarHBondContact O-CB 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 2.85Å; V41-V61 HydrophobicContact CG1-CB 4.46Å; V41-V61 HydrophobicContact CG1-CG1 4.16Å; V41-V61 HydrophobicContact CG1-CG2 4.11Å; V41-T72 HydrophobicContact CG2-CG2 4.26Å; V41-W74 HydrophobicContact CG1-CE3 4.1Å; V41-W74 HydrophobicContact CG1-CZ3 4.37Å; V41-T76 WeakPolarHBondContact CG2-O 3.33Å; V41-T76 PolarHBondContact N-O 2.67Å; V41-L81 HydrophobicContact CG2-CD1 3.6Å
42	Y	87.6	Confident	82.5	Confident	100 Å²	100	60 Å²	60	39%	0.392	32%	0.319	S	S	.	.	H	α-helix	trans	-55.5	-56.2	173.3	-178.8	-85	0	0	0	111.8	S40 S44 L45 D46 Q56 W74	S40-Y42 PolarHBondContact O-N 3.49Å; S40-Y42 WeakPolarHBondContact OG-CB 3.45Å; S40-Y42 PolarHBondContact OG-N 3.25Å; Y42-S44 VanDerWaalsContact C-N 3.29Å; Y42-S44 PolarHBondContact O-N 3.47Å; Y42-L45 PolarHBondContact O-N 3.1Å; Y42-D46 VanDerWaalsContact O-CB 3.3Å; Y42-D46 WeakPolarHBondContact O-CB 3.32Å; Y42-D46 PolarHBondContact O-N 2.96Å; Y42-Q56 HydrophobicContact CD2-CB 4.31Å; Y42-Q56 HydrophobicContact CD2-CG 3.7Å; Y42-Q56 HydrophobicContact CE2-CB 4.14Å; Y42-Q56 HydrophobicContact CE2-CG 3.63Å; Y42-W74 WeakPolarHBondContact CB-O 3.24Å; Y42-W74 PolarHBondContact N-O 3.32Å
43	D	87.5	Confident	81.1	Confident	82 Å²	82	56 Å²	56	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-37	-175.1	-57.9	-51.5	0	0	0	112.1	M39 S40	M39-D43 HydrophobicContact CB-CB 4.46Å; M39-D43 HydrophobicContact CE-CB 3.53Å; S40-D43 PolarHBondContact N-OD2 2.87Å; S40-D43 VanDerWaalsContact N-OD2 3.13Å; S40-D43 PolarHBondContact O-N 2.75Å; S40-D43 VanDerWaalsContact O-N 3.15Å; S40-D43 PolarHBondContact OG-N 2.77Å; S40-D43 VanDerWaalsContact OG-N 3.17Å; S40-D43 PolarHBondContact OG-OD2 2.97Å
44	S	87.3	Confident	80.3	Confident	14 Å²	14	56 Å²	56	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-75	-32.1	-177.9	-65.2	0	0	0	0	113.4	V33 S40 Y42 I78	V33-S44 WeakPolarHBondContact CG1-O 3.3Å; S40-S44 PolarHBondContact O-N 3.13Å; S40-S44 VanDerWaalsContact O-N 3.11Å; S40-S44 PolarHBondContact O-OG 2.94Å; Y42-S44 VanDerWaalsContact C-N 3.29Å; Y42-S44 PolarHBondContact O-N 3.47Å; S44-I78 VanDerWaalsContact OG-CD1 3.25Å; S44-I78 WeakPolarHBondContact OG-CD1 3.2Å
45	L	87.5	Confident	79.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-95	-20.6	-178.3	-63.8	-176	0	0	0	113.8	V23 V33 V41 Y42 K47 A48 L49 V61 W74 V88	V23-L45 HydrophobicContact CB-CD2 4.22Å; V23-L45 HydrophobicContact CG1-CD2 3.77Å; V23-L45 HydrophobicContact CG2-CD2 3.69Å; V33-L45 HydrophobicContact CG1-CD2 4.04Å; V33-L45 HydrophobicContact CG2-CD2 4.37Å; V41-L45 HydrophobicContact CG1-CD1 3.64Å; V41-L45 HydrophobicContact CG1-CG 4.26Å; V41-L45 WeakPolarHBondContact O-CB 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 2.85Å; Y42-L45 PolarHBondContact O-N 3.1Å; L45-K47 PolarHBondContact O-N 2.85Å; L45-A48 PolarHBondContact O-N 3Å; L45-L49 HydrophobicContact CB-CD1 4.06Å; L45-L49 HydrophobicContact CB-CG 4.43Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.89Å; L45-V61 HydrophobicContact CD1-CG1 4.34Å; L45-V61 HydrophobicContact CD1-CG2 3.91Å; L45-W74 HydrophobicContact CB-CZ3 4.2Å; L45-W74 HydrophobicContact CD1-CZ3 3.97Å; L45-V88 HydrophobicContact CD1-CG2 4.04Å
46	D	83.4	Confident	79.3	Confident	31 Å²	31	56.6 Å²	56.6	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-49.6	-51.2	-174.6	177.7	64.9	0	0	0	113.1	Y42 A48 L49 K50 Q56	Y42-D46 VanDerWaalsContact O-CB 3.3Å; Y42-D46 WeakPolarHBondContact O-CB 3.32Å; Y42-D46 PolarHBondContact O-N 2.96Å; D46-A48 VanDerWaalsContact C-N 3.35Å; D46-A48 PolarHBondContact O-N 2.75Å; D46-L49 PolarHBondContact O-N 3.36Å; D46-K50 WeakPolarHBondContact O-CB 3.21Å; D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 2.94Å; D46-K50 PolarHBondContact O-N 3.27Å; D46-K50 WeakPolarHBondContact OD1-CE 3.34Å; D46-K50 IonicContact OD1-NZ 3.57Å; D46-K50 PolarHBondContact OD1-NZ 3.4Å; D46-K50 WeakPolarHBondContact OD2-CE 3.47Å; D46-K50 IonicContact OD2-NZ 2.91Å; D46-K50 PolarHBondContact OD2-NZ 2.81Å; D46-Q56 PolarHBondContact OD1-NE2 2.76Å
47	K	79.8	Confident	78.5	Confident	167 Å²	167	55.9 Å²	55.9	73%	0.726	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-40.2	179.5	-168.6	177.5	-177.7	-179.6	0	112	L45 V51	L45-K47 PolarHBondContact O-N 2.85Å; K47-V51 WeakPolarHBondContact O-CG2 3.31Å; K47-V51 PolarHBondContact O-N 2.8Å; K47-V51 VanDerWaalsContact O-N 3.11Å
48	A	79.3	Confident	78.1	Confident	13 Å²	13	51.5 Å²	51.5	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-35.8	-177.8	0	0	0	0	0	112.3	T31 L45 D46 R52	T31-A48 HydrophobicContact CG2-CB 4.16Å; L45-A48 PolarHBondContact O-N 3Å; D46-A48 VanDerWaalsContact C-N 3.35Å; D46-A48 PolarHBondContact O-N 2.75Å; A48-R52 WeakPolarHBondContact O-CD 3.4Å; A48-R52 PolarHBondContact O-NH1 2.77Å
49	L	78.3	Confident	78.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74	-46.6	175.9	-65.3	171.7	0	0	0	111.4	L25 L45 D46 V51 R52 G53 L54 Q56 W74 V88	L25-L49 HydrophobicContact CD2-CD2 3.84Å; L45-L49 HydrophobicContact CB-CD1 4.06Å; L45-L49 HydrophobicContact CB-CG 4.43Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.89Å; D46-L49 PolarHBondContact O-N 3.36Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 2.84Å; L49-R52 CarbonylContact O-C 3.59Å; L49-R52 WeakPolarHBondContact O-CA 3.47Å; L49-R52 PolarHBondContact O-N 3.17Å; L49-G53 PolarHBondContact O-N 3.36Å; L49-G53 VanDerWaalsContact O-N 3.1Å; L49-L54 CarbonylContact C-O 3.49Å; L49-L54 VanDerWaalsContact C-O 3.24Å; L49-L54 HydrophobicContact CB-CB 4.08Å; L49-L54 HydrophobicContact CD2-CB 4Å; L49-L54 HydrophobicContact CD2-CD1 4Å; L49-L54 PolarHBondContact O-N 2.94Å; L49-Q56 HydrophobicContact CD1-CG 4.23Å; L49-W74 HydrophobicContact CD1-CH2 3.62Å; L49-W74 HydrophobicContact CD1-CZ3 3.99Å; L49-V88 HydrophobicContact CD2-CG1 4.11Å
50	K	72.1	Confident	78	Confident	121 Å²	121	46.6 Å²	46.6	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-58.1	-42.5	177.9	-79.1	174.3	175.1	160	0	113.1	D46 R52 G53	D46-K50 WeakPolarHBondContact O-CB 3.21Å; D46-K50 VanDerWaalsContact O-CG 3.31Å; D46-K50 WeakPolarHBondContact O-CG 2.94Å; D46-K50 PolarHBondContact O-N 3.27Å; D46-K50 WeakPolarHBondContact OD1-CE 3.34Å; D46-K50 IonicContact OD1-NZ 3.57Å; D46-K50 PolarHBondContact OD1-NZ 3.4Å; D46-K50 WeakPolarHBondContact OD2-CE 3.47Å; D46-K50 IonicContact OD2-NZ 2.91Å; D46-K50 PolarHBondContact OD2-NZ 2.81Å; K50-R52 PolarHBondContact O-N 3.29Å; K50-R52 VanDerWaalsContact O-N 3.16Å; K50-G53 PolarHBondContact O-N 2.99Å; K50-G53 VanDerWaalsContact O-N 3.11Å
51	V	69.4	Low	77.9	Confident	111 Å²	111	45.7 Å²	45.7	67%	0.673	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.8	175.7	169.4	0	0	0	0	111.9	K47 L49	K47-V51 WeakPolarHBondContact O-CG2 3.31Å; K47-V51 PolarHBondContact O-N 2.8Å; K47-V51 VanDerWaalsContact O-N 3.11Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 2.84Å
52	R	65.1	Low	78	Confident	82 Å²	82	48.1 Å²	48.1	31%	0.309	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	9.1	-178.4	-68.1	171.5	176.1	80.7	-0.6	113.2	A48 L49 K50 L54	A48-R52 WeakPolarHBondContact O-CD 3.4Å; A48-R52 PolarHBondContact O-NH1 2.77Å; L49-R52 CarbonylContact O-C 3.59Å; L49-R52 WeakPolarHBondContact O-CA 3.47Å; L49-R52 PolarHBondContact O-N 3.17Å; K50-R52 PolarHBondContact O-N 3.29Å; K50-R52 VanDerWaalsContact O-N 3.16Å; R52-L54 PolarHBondContact O-N 3.02Å
53	G	59.1	Low	78	Confident	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	17.4	179.1	0	0	0	0	0	114.3	L49 K50 V143	L49-G53 PolarHBondContact O-N 3.36Å; L49-G53 VanDerWaalsContact O-N 3.1Å; K50-G53 PolarHBondContact O-N 2.99Å; K50-G53 VanDerWaalsContact O-N 3.11Å; G53-V143 WeakPolarHBondContact O-CG2 3.39Å
54	L	70.6	Confident	77.6	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	22%	0.22	C	C	.	.			trans	-99.1	143.6	176.5	-63.5	171.5	0	0	0	109.7	P26 L49 R52 V90 L96	P26-L54 HydrophobicContact CB-CD1 4.36Å; P26-L54 HydrophobicContact CG-CD1 3.77Å; L49-L54 CarbonylContact C-O 3.49Å; L49-L54 VanDerWaalsContact C-O 3.24Å; L49-L54 HydrophobicContact CB-CB 4.08Å; L49-L54 HydrophobicContact CD2-CB 4Å; L49-L54 HydrophobicContact CD2-CD1 4Å; L49-L54 PolarHBondContact O-N 2.94Å; R52-L54 PolarHBondContact O-N 3.02Å; L54-V90 HydrophobicContact CD2-CG2 4.02Å; L54-L96 HydrophobicContact CD2-CD1 3.38Å
55	N	73.9	Confident	77.1	Confident	67 Å²	67	47.9 Å²	47.9	36%	0.358	24%	0.235	S	C	.	.			trans	-109.8	161.5	166.4	72.5	0.5	0	0	0	110	D57 C58 C59	N55-D57 PolarHBondContact O-N 3.08Å; N55-C58 PolarHBondContact O-N 2.93Å; N55-C58 PolarHBondContact O-SG 3.49Å; N55-C58 VanDerWaalsContact OD1-CB 3.25Å; N55-C58 WeakPolarHBondContact OD1-CB 3.41Å; N55-C58 PolarHBondContact OD1-N 2.75Å; N55-C58 PolarHBondContact OD1-SG 2.89Å; N55-C59 PolarHBondContact O-SG 3.02Å; N55-C59 VanDerWaalsContact O-SG 3.32Å
56	Q	74.3	Confident	76.4	Confident	16 Å²	16	58 Å²	58	8%	0.075	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.6	-31.9	179.7	-62	86.1	-13.5	0	0	111.6	Y42 D46 L49 C58 C59 W74	Y42-Q56 HydrophobicContact CD2-CB 4.31Å; Y42-Q56 HydrophobicContact CD2-CG 3.7Å; Y42-Q56 HydrophobicContact CE2-CB 4.14Å; Y42-Q56 HydrophobicContact CE2-CG 3.63Å; D46-Q56 PolarHBondContact OD1-NE2 2.76Å; L49-Q56 HydrophobicContact CD1-CG 4.23Å; Q56-C58 PolarHBondContact O-N 3.25Å; Q56-C59 PolarHBondContact O-N 3.31Å; Q56-C59 VanDerWaalsContact O-N 3.15Å; Q56-C59 VanDerWaalsContact O-O 3.04Å; Q56-W74 HydrophobicContact CB-CD2 4.21Å; Q56-W74 HydrophobicContact CB-CE3 4.42Å; Q56-W74 HydrophobicContact CB-CH2 4.14Å; Q56-W74 HydrophobicContact CB-CZ2 3.89Å; Q56-W74 HydrophobicContact CB-CZ3 4.39Å; Q56-W74 HydrophobicContact CG-CD2 4.37Å; Q56-W74 HydrophobicContact CG-CE3 4.08Å; Q56-W74 HydrophobicContact CG-CH2 3.98Å; Q56-W74 HydrophobicContact CG-CZ2 4.25Å; Q56-W74 HydrophobicContact CG-CZ3 3.88Å
57	D	68.4	Low	75.8	Confident	100 Å²	100	59.4 Å²	59.4	54%	0.535	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.3	-22.9	-178.8	-52.7	-39.1	0	0	0	113.6	N55 F154	N55-D57 PolarHBondContact O-N 3.08Å; D57-F154 HydrophobicContact CB-CE2 4.35Å
58	C	69.6	Low	75.5	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.061	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-100.5	3	177.3	72.7	0	0	0	0	113.7	N55 Q56 V90 L91	N55-C58 PolarHBondContact O-N 2.93Å; N55-C58 PolarHBondContact O-SG 3.49Å; N55-C58 VanDerWaalsContact OD1-CB 3.25Å; N55-C58 WeakPolarHBondContact OD1-CB 3.41Å; N55-C58 PolarHBondContact OD1-N 2.75Å; N55-C58 PolarHBondContact OD1-SG 2.89Å; Q56-C58 PolarHBondContact O-N 3.25Å; C58-V90 WeakPolarHBondContact O-CA 3.39Å; C58-V90 WeakPolarHBondContact O-CG1 3.35Å; C58-L91 PolarHBondContact O-N 3.31Å
59	C	80.3	Confident	75.8	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	-173.1	-66.7	0	0	0	0	111.4	N55 Q56 W74 V88 E89	N55-C59 PolarHBondContact O-SG 3.02Å; N55-C59 VanDerWaalsContact O-SG 3.32Å; Q56-C59 PolarHBondContact O-N 3.31Å; Q56-C59 VanDerWaalsContact O-N 3.15Å; Q56-C59 VanDerWaalsContact O-O 3.04Å; C59-W74 HydrophobicContact CB-CH2 4.24Å; C59-W74 HydrophobicContact CB-CZ2 3.87Å; C59-W74 WeakPolarHBondContact O-CZ2 3.31Å; C59-V88 HydrophobicContact CB-CG1 3.7Å; C59-E89 CarbonylContact C-O 3.6Å; C59-E89 VanDerWaalsContact CA-O 3.3Å; C59-E89 WeakPolarHBondContact CA-O 3.27Å
60	V	85.3	Confident	76	Confident	25 Å²	25	68.8 Å²	68.8	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.1	167.2	179.2	0	0	0	0	108.7	Y62 V71 V88 E89 L91	V60-Y62 HydrophobicContact CB-CE2 3.82Å; V60-Y62 HydrophobicContact CG1-CD2 4.16Å; V60-Y62 HydrophobicContact CG1-CE1 4Å; V60-Y62 HydrophobicContact CG1-CE2 3.59Å; V60-Y62 VanDerWaalsContact CG1-CZ 3.49Å; V60-V71 HydrophobicContact CG1-CG1 4.05Å; V60-V71 HydrophobicContact CG1-CG2 4.32Å; V60-V88 WeakPolarHBondContact O-CA 3.38Å; V60-E89 PolarHBondContact N-O 3.02Å; V60-E89 PolarHBondContact O-N 3.21Å; V60-L91 HydrophobicContact CG2-CD1 4.28Å; V60-L91 HydrophobicContact CG2-CD2 3.36Å; V60-L91 HydrophobicContact CG2-CG 3.85Å
61	V	89.7	Confident	76.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.2	174.2	-171	0	0	0	0	108.7	V41 L45 T72 W74 L86 V88	V41-V61 HydrophobicContact CG1-CB 4.46Å; V41-V61 HydrophobicContact CG1-CG1 4.16Å; V41-V61 HydrophobicContact CG1-CG2 4.11Å; L45-V61 HydrophobicContact CD1-CG1 4.34Å; L45-V61 HydrophobicContact CD1-CG2 3.91Å; V61-T72 PolarHBondContact O-N 3.25Å; V61-W74 HydrophobicContact CG2-CD2 4.18Å; V61-W74 HydrophobicContact CG2-CE3 3.92Å; V61-W74 HydrophobicContact CG2-CH2 3.31Å; V61-W74 HydrophobicContact CG2-CZ2 3.6Å; V61-W74 HydrophobicContact CG2-CZ3 3.5Å; V61-W74 VanDerWaalsContact CG2-CZ3 3.5Å; V61-L86 HydrophobicContact CG1-CB 4.17Å; V61-L86 HydrophobicContact CG1-CD1 4.16Å; V61-L86 HydrophobicContact CG1-CD2 4.23Å; V61-L86 HydrophobicContact CG1-CG 4.42Å; V61-V88 HydrophobicContact CG2-CG2 4.27Å
62	Y	88.6	Confident	77.5	Confident	50 Å²	50	62.8 Å²	62.8	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.9	172.6	-59.7	-87.4	0	0	0	109.4	V60 K69 T70 V71 L86 I87 E89	V60-Y62 HydrophobicContact CB-CE2 3.82Å; V60-Y62 HydrophobicContact CG1-CD2 4.16Å; V60-Y62 HydrophobicContact CG1-CE1 4Å; V60-Y62 HydrophobicContact CG1-CE2 3.59Å; V60-Y62 VanDerWaalsContact CG1-CZ 3.49Å; Y62-K69 HydrophobicContact CD1-CB 3.87Å; Y62-K69 HydrophobicContact CG-CB 4.14Å; Y62-K69 HydrophobicContact CG-CD 4.33Å; Y62-T70 CarbonylContact C-O 3.56Å; Y62-T70 VanDerWaalsContact CA-O 3.32Å; Y62-T70 WeakPolarHBondContact CA-O 3.39Å; Y62-V71 HydrophobicContact CD1-CG2 3.94Å; Y62-V71 HydrophobicContact CE1-CG2 3.55Å; Y62-L86 CarbonylContact O-C 3.49Å; Y62-L86 VanDerWaalsContact O-CA 3.3Å; Y62-L86 WeakPolarHBondContact O-CA 3.06Å; Y62-I87 PolarHBondContact N-O 3.02Å; Y62-I87 PolarHBondContact O-N 3.41Å; Y62-E89 HydrophobicContact CD2-CB 4.48Å; Y62-E89 HydrophobicContact CD2-CG 4.07Å; Y62-E89 HydrophobicContact CE2-CB 4.02Å; Y62-E89 HydrophobicContact CE2-CG 4.01Å; Y62-E89 WeakPolarHBondContact CE2-OE2 3.41Å
63	R	88.4	Confident	78.5	Confident	51 Å²	51	61.3 Å²	61.3	19%	0.192	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.9	165.4	-174.9	-162.9	-64.6	-145.5	18.1	109	I65 T70 T72 E84 L86	R63-I65 HydrophobicContact CG-CG1 4.02Å; R63-T70 PolarHBondContact N-O 3.17Å; R63-T70 PolarHBondContact O-N 3.4Å; R63-T72 WeakPolarHBondContact CB-OG1 3.14Å; R63-E84 WeakPolarHBondContact CD-OE2 3.47Å; R63-E84 WeakPolarHBondContact CG-OE2 3.45Å; R63-E84 IonicContact CZ-OE2 3.59Å; R63-E84 VanDerWaalsContact CZ-OE2 3.25Å; R63-E84 IonicContact NE-OE2 2.69Å; R63-E84 PolarHBondContact NE-OE2 3.11Å; R63-E84 VanDerWaalsContact NE-OE2 3.17Å; R63-E84 VanDerWaalsContact NH1-CD 3.31Å; R63-E84 IonicContact NH1-OE1 3.55Å; R63-E84 PolarHBondContact NH1-OE1 3.1Å; R63-E84 IonicContact NH1-OE2 2.81Å; R63-E84 PolarHBondContact NH1-OE2 3.38Å; R63-L86 HydrophobicContact CB-CD2 3.98Å; R63-L86 HydrophobicContact CG-CD2 4.24Å
64	L	79.2	Confident	79.8	Confident	60 Å²	60	63.8 Å²	63.8	31%	0.314	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	98.2	176.6	-165.2	69.2	0	0	0	110.5	K69 E85 I87	L64-K69 HydrophobicContact CD1-CG 4.37Å; L64-E85 PolarHBondContact N-O 3.16Å; L64-E85 VanDerWaalsContact N-O 3.11Å; L64-I87 HydrophobicContact CD1-CD1 4.29Å
65	I	77.5	Confident	80.6	Confident	80 Å²	80	69.4 Å²	69.4	41%	0.41	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.2	175.6	-56	175.3	0	0	0	108.4	R63 G67 R68	R63-I65 HydrophobicContact CG-CG1 4.02Å; I65-G67 PolarHBondContact O-N 3.37Å; I65-G67 VanDerWaalsContact O-N 3.13Å; I65-R68 PolarHBondContact N-O 3.14Å; I65-R68 PolarHBondContact O-N 2.83Å
66	K	71.9	Confident	81.2	Confident	212 Å²	212	68.2 Å²	68.2	92%	0.922	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.7	178.5	-60.7	-178.7	178.4	-179.7	0	113.5	R68	K66-R68 VanDerWaalsContact C-N 3.34Å; K66-R68 PolarHBondContact O-N 3.06Å
67	G	69.9	Low	81.9	Confident	62 Å²	62	69.8 Å²	69.8	64%	0.639	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	1.3	-179.9	0	0	0	0	0	115.8	I65	I65-G67 PolarHBondContact O-N 3.37Å; I65-G67 VanDerWaalsContact O-N 3.13Å
68	R	75.4	Confident	82.8	Confident	203 Å²	203	65 Å²	65	77%	0.766	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.4	172.5	-68.3	-175.4	179.5	173.5	-0	110.9	I65 K66	I65-R68 PolarHBondContact N-O 3.14Å; I65-R68 PolarHBondContact O-N 2.83Å; K66-R68 VanDerWaalsContact C-N 3.34Å; K66-R68 PolarHBondContact O-N 3.06Å
69	K	84.1	Confident	83.6	Confident	103 Å²	103	66 Å²	66	45%	0.448	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	175.4	-66.8	-176.6	-175.6	174.4	0	109.8	Y62 L64 I87 E89	Y62-K69 HydrophobicContact CD1-CB 3.87Å; Y62-K69 HydrophobicContact CG-CB 4.14Å; Y62-K69 HydrophobicContact CG-CD 4.33Å; L64-K69 HydrophobicContact CD1-CG 4.37Å; K69-I87 HydrophobicContact CG-CD1 4.43Å; K69-E89 IonicContact NZ-OE1 2.57Å; K69-E89 PolarHBondContact NZ-OE1 3.41Å; K69-E89 IonicContact NZ-OE2 3.12Å; K69-E89 PolarHBondContact NZ-OE2 3.26Å; K69-E89 VanDerWaalsContact NZ-OE2 3.12Å
70	T	83.1	Confident	83.7	Confident	70 Å²	70	70.3 Å²	70.3	43%	0.429	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.9	174.4	-53.2	0	0	0	0	109.3	Y62 R63 T72	Y62-T70 CarbonylContact C-O 3.56Å; Y62-T70 VanDerWaalsContact CA-O 3.32Å; Y62-T70 WeakPolarHBondContact CA-O 3.39Å; R63-T70 PolarHBondContact N-O 3.17Å; R63-T70 PolarHBondContact O-N 3.4Å; T70-T72 PolarHBondContact O-N 2.83Å
71	V	85.2	Confident	83.6	Confident	97 Å²	97	69.1 Å²	69.1	59%	0.588	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	133	179.1	179.3	0	0	0	0	109.8	V60 Y62	V60-V71 HydrophobicContact CG1-CG1 4.05Å; V60-V71 HydrophobicContact CG1-CG2 4.32Å; Y62-V71 HydrophobicContact CD1-CG2 3.94Å; Y62-V71 HydrophobicContact CE1-CG2 3.55Å
72	T	87.3	Confident	83.3	Confident	10 Å²	10	72.5 Å²	72.5	6%	0.061	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.6	176.7	-59.1	0	0	0	0	108.7	V41 V61 R63 T70 T76	V41-T72 HydrophobicContact CG2-CG2 4.26Å; V61-T72 PolarHBondContact O-N 3.25Å; R63-T72 WeakPolarHBondContact CB-OG1 3.14Å; T70-T72 PolarHBondContact O-N 2.83Å; T72-T76 HydrophobicContact CG2-CG2 4.15Å
73	A	85.9	Confident	82.8	Confident	50 Å²	50	73.3 Å²	73.3	41%	0.413	41%	0.414	S	S	.	.			trans	-69.6	145.2	179.1	0	0	0	0	0	110.8	D75 T76	A73-D75 WeakPolarHBondContact CB-OD1 3.15Å; A73-D75 PolarHBondContact O-N 3.37Å; A73-T76 WeakPolarHBondContact O-CB 3.36Å; A73-T76 PolarHBondContact O-N 2.81Å; A73-T76 VanDerWaalsContact O-N 3.07Å; A73-T76 PolarHBondContact O-OG1 3.27Å
74	W	86.1	Confident	82.7	Confident	57 Å²	57	73.7 Å²	73.7	22%	0.216	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.9	-174.9	-73.4	107.8	0	0	0	113.9	V41 Y42 L45 L49 Q56 C59 V61 T76	V41-W74 HydrophobicContact CG1-CE3 4.1Å; V41-W74 HydrophobicContact CG1-CZ3 4.37Å; Y42-W74 WeakPolarHBondContact CB-O 3.24Å; Y42-W74 PolarHBondContact N-O 3.32Å; L45-W74 HydrophobicContact CB-CZ3 4.2Å; L45-W74 HydrophobicContact CD1-CZ3 3.97Å; L49-W74 HydrophobicContact CD1-CH2 3.62Å; L49-W74 HydrophobicContact CD1-CZ3 3.99Å; Q56-W74 HydrophobicContact CB-CD2 4.21Å; Q56-W74 HydrophobicContact CB-CE3 4.42Å; Q56-W74 HydrophobicContact CB-CH2 4.14Å; Q56-W74 HydrophobicContact CB-CZ2 3.89Å; Q56-W74 HydrophobicContact CB-CZ3 4.39Å; Q56-W74 HydrophobicContact CG-CD2 4.37Å; Q56-W74 HydrophobicContact CG-CE3 4.08Å; Q56-W74 HydrophobicContact CG-CH2 3.98Å; Q56-W74 HydrophobicContact CG-CZ2 4.25Å; Q56-W74 HydrophobicContact CG-CZ3 3.88Å; C59-W74 HydrophobicContact CB-CH2 4.24Å; C59-W74 HydrophobicContact CB-CZ2 3.87Å; C59-W74 WeakPolarHBondContact O-CZ2 3.31Å; V61-W74 HydrophobicContact CG2-CD2 4.18Å; V61-W74 HydrophobicContact CG2-CE3 3.92Å; V61-W74 HydrophobicContact CG2-CH2 3.31Å; V61-W74 HydrophobicContact CG2-CZ2 3.6Å; V61-W74 HydrophobicContact CG2-CZ3 3.5Å; V61-W74 VanDerWaalsContact CG2-CZ3 3.5Å; W74-T76 VanDerWaalsContact C-N 3.3Å
75	D	87.9	Confident	83.2	Confident	131 Å²	131	73.6 Å²	73.6	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.7	177.3	62.9	-29.4	0	0	0	113.7	A73 A77	A73-D75 WeakPolarHBondContact CB-OD1 3.15Å; A73-D75 PolarHBondContact O-N 3.37Å; D75-A77 PolarHBondContact O-N 3.08Å
76	T	87.9	Confident	83.8	Confident	43 Å²	43	69.8 Å²	69.8	26%	0.264	40%	0.396	S	S	.	.	S	Bend	trans	-59.4	131	176.3	-54.1	0	0	0	0	109.9	S40 V41 T72 A73 W74	S40-T76 CarbonylContact C-O 3.53Å; S40-T76 WeakPolarHBondContact CA-O 3.44Å; V41-T76 WeakPolarHBondContact CG2-O 3.33Å; V41-T76 PolarHBondContact N-O 2.67Å; T72-T76 HydrophobicContact CG2-CG2 4.15Å; A73-T76 WeakPolarHBondContact O-CB 3.36Å; A73-T76 PolarHBondContact O-N 2.81Å; A73-T76 VanDerWaalsContact O-N 3.07Å; A73-T76 PolarHBondContact O-OG1 3.27Å; W74-T76 VanDerWaalsContact C-N 3.3Å
77	A	88.8	Confident	84.6	Confident	48 Å²	48	61 Å²	61	40%	0.397	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-60.2	137.6	173.2	0	0	0	0	0	110.4	D75 P80	D75-A77 PolarHBondContact O-N 3.08Å; A77-P80 VanDerWaalsContact O-CD 3.28Å; A77-P80 WeakPolarHBondContact O-CD 3.45Å
78	I	87.4	Confident	85.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-82.4	-20.8	-178.8	-160.4	165.6	0	0	0	113	V21 V33 V35 M39 S44 L81	V21-I78 HydrophobicContact CG2-CD1 4.19Å; V21-I78 HydrophobicContact CG2-CG1 4.02Å; V33-I78 HydrophobicContact CG2-CD1 3.85Å; V35-I78 HydrophobicContact CG1-CG2 4.27Å; V35-I78 HydrophobicContact CG2-CG1 4.47Å; M39-I78 HydrophobicContact CB-CG2 3.92Å; M39-I78 WeakPolarHBondContact O-CG2 3.45Å; M39-I78 PolarHBondContact O-N 3.31Å; S44-I78 VanDerWaalsContact OG-CD1 3.25Å; S44-I78 WeakPolarHBondContact OG-CD1 3.2Å; I78-L81 HydrophobicContact CG1-CB 4.45Å; I78-L81 HydrophobicContact CG1-CD1 4.3Å; I78-L81 VanDerWaalsContact O-CB 3.31Å; I78-L81 WeakPolarHBondContact O-CB 3.32Å; I78-L81 PolarHBondContact O-N 3.41Å
79	A	85.1	Confident	85.8	Confident	29 Å²	29	51.9 Å²	51.9	24%	0.24	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-53.3	-44.6	-179.2	0	0	0	0	0	114.5	V35 D37 L81	V35-A79 HydrophobicContact CG1-CB 4.31Å; D37-A79 WeakPolarHBondContact OD1-CB 3.07Å; A79-L81 PolarHBondContact O-N 3.21Å
80	P	83.3	Confident	85.5	Confident	94 Å²	94	48.8 Å²	48.8	61%	0.61	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-73	-3.4	177.2	-15.3	32	0	0	0	114.5	A77	A77-P80 VanDerWaalsContact O-CD 3.28Å; A77-P80 WeakPolarHBondContact O-CD 3.45Å
81	L	83.1	Confident	85.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-99.3	5.9	-177.2	-46.2	-173.4	0	0	0	112.2	V21 V41 I78 A79 G83 E84 L86	V21-L81 HydrophobicContact CG2-CB 4.16Å; V21-L81 VanDerWaalsContact CG2-O 3.3Å; V21-L81 WeakPolarHBondContact CG2-O 3.43Å; V41-L81 HydrophobicContact CG2-CD1 3.6Å; I78-L81 HydrophobicContact CG1-CB 4.45Å; I78-L81 HydrophobicContact CG1-CD1 4.3Å; I78-L81 VanDerWaalsContact O-CB 3.31Å; I78-L81 WeakPolarHBondContact O-CB 3.32Å; I78-L81 PolarHBondContact O-N 3.41Å; A79-L81 PolarHBondContact O-N 3.21Å; L81-G83 PolarHBondContact O-N 3.31Å; L81-E84 WeakPolarHBondContact O-CB 3.41Å; L81-E84 PolarHBondContact O-N 2.93Å; L81-L86 HydrophobicContact CD1-CD1 4.23Å; L81-L86 HydrophobicContact CD1-CD2 4.39Å
82	D	83.4	Confident	83.7	Confident	73 Å²	73	53.8 Å²	53.8	39%	0.39	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.9	-177.7	-173.4	33.8	0	0	0	111.8	G19 T20 V35 E84	G19-D82 VanDerWaalsContact CA-OD1 3.22Å; G19-D82 WeakPolarHBondContact CA-OD1 3.27Å; T20-D82 PolarHBondContact N-OD1 3.34Å; V35-D82 HydrophobicContact CG2-CB 4.25Å; D82-E84 PolarHBondContact O-N 3.15Å
83	G	78	Confident	81.8	Confident	67 Å²	67	60 Å²	60	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-5	-175.8	0	0	0	0	0	115.8	T20 L81	T20-G83 PolarHBondContact O-N 2.96Å; L81-G83 PolarHBondContact O-N 3.31Å
84	E	86	Confident	79.9	Confident	58 Å²	58	59.6 Å²	59.6	27%	0.271	34%	0.338	S	S	.	.			trans	-82.6	169.4	175.7	-60.7	-170.1	167.1	0	0	112.9	V21 K22 R63 L81 D82	V21-E84 WeakPolarHBondContact CG1-O 3.48Å; K22-E84 PolarHBondContact N-O 2.78Å; R63-E84 WeakPolarHBondContact CD-OE2 3.47Å; R63-E84 WeakPolarHBondContact CG-OE2 3.45Å; R63-E84 IonicContact CZ-OE2 3.59Å; R63-E84 VanDerWaalsContact CZ-OE2 3.25Å; R63-E84 IonicContact NE-OE2 2.69Å; R63-E84 PolarHBondContact NE-OE2 3.11Å; R63-E84 VanDerWaalsContact NE-OE2 3.17Å; R63-E84 VanDerWaalsContact NH1-CD 3.31Å; R63-E84 IonicContact NH1-OE1 3.55Å; R63-E84 PolarHBondContact NH1-OE1 3.1Å; R63-E84 IonicContact NH1-OE2 2.81Å; R63-E84 PolarHBondContact NH1-OE2 3.38Å; L81-E84 WeakPolarHBondContact O-CB 3.41Å; L81-E84 PolarHBondContact O-N 2.93Å; D82-E84 PolarHBondContact O-N 3.15Å
85	E	89	Confident	77.9	Confident	58 Å²	58	61.9 Å²	61.9	27%	0.271	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.2	174.9	-62.2	-165.8	139.7	0	0	110.9	K22 Y24 L64	K22-E85 HydrophobicContact CB-CG 4.33Å; K22-E85 WeakPolarHBondContact O-CA 3.45Å; Y24-E85 HydrophobicContact CE2-CB 4.02Å; Y24-E85 HydrophobicContact CE2-CG 4.1Å; Y24-E85 PolarHBondContact OH-OE1 3Å; L64-E85 PolarHBondContact N-O 3.16Å; L64-E85 VanDerWaalsContact N-O 3.11Å
86	L	90.1	Very high	75.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	172.9	-61.6	179.7	0	0	0	110.4	V21 K22 V23 Y24 V61 Y62 R63 L81	V21-L86 HydrophobicContact CG1-CD1 3.87Å; V21-L86 HydrophobicContact CG1-CG 3.78Å; K22-L86 PolarHBondContact O-N 2.9Å; V23-L86 CarbonylContact C-O 3.57Å; V23-L86 WeakPolarHBondContact CA-O 3.08Å; V23-L86 HydrophobicContact CG1-CB 4.31Å; V23-L86 HydrophobicContact CG2-CB 4.35Å; Y24-L86 PolarHBondContact N-O 2.99Å; V61-L86 HydrophobicContact CG1-CB 4.17Å; V61-L86 HydrophobicContact CG1-CD1 4.16Å; V61-L86 HydrophobicContact CG1-CD2 4.23Å; V61-L86 HydrophobicContact CG1-CG 4.42Å; Y62-L86 CarbonylContact O-C 3.49Å; Y62-L86 VanDerWaalsContact O-CA 3.3Å; Y62-L86 WeakPolarHBondContact O-CA 3.06Å; R63-L86 HydrophobicContact CB-CD2 3.98Å; R63-L86 HydrophobicContact CG-CD2 4.24Å; L81-L86 HydrophobicContact CD1-CD1 4.23Å; L81-L86 HydrophobicContact CD1-CD2 4.39Å
87	I	88.9	Confident	74.5	Confident	29 Å²	29	59.3 Å²	59.3	15%	0.149	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	174.2	-55.5	175.3	0	0	0	107.5	Y24 Y62 L64 K69 E89	Y24-I87 HydrophobicContact CD2-CG1 4.25Å; Y24-I87 CarbonylContact O-C 3.55Å; Y24-I87 WeakPolarHBondContact O-CA 3.38Å; Y62-I87 PolarHBondContact N-O 3.02Å; Y62-I87 PolarHBondContact O-N 3.41Å; L64-I87 HydrophobicContact CD1-CD1 4.29Å; K69-I87 HydrophobicContact CG-CD1 4.43Å; I87-E89 HydrophobicContact CG2-CG 3.82Å
88	V	87.3	Confident	73.2	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.1	174.1	-172.8	0	0	0	0	108.2	V23 Y24 L25 P26 L45 L49 C59 V60 V61	V23-V88 HydrophobicContact CG1-CG2 3.7Å; Y24-V88 PolarHBondContact O-N 2.61Å; L25-V88 HydrophobicContact CD2-CB 4.1Å; L25-V88 HydrophobicContact CD2-CG2 3.98Å; P26-V88 WeakPolarHBondContact CD-O 3.48Å; P26-V88 WeakPolarHBondContact CG-O 3.46Å; L45-V88 HydrophobicContact CD1-CG2 4.04Å; L49-V88 HydrophobicContact CD2-CG1 4.11Å; C59-V88 HydrophobicContact CB-CG1 3.7Å; V60-V88 WeakPolarHBondContact O-CA 3.38Å; V61-V88 HydrophobicContact CG2-CG2 4.27Å
89	E	84.1	Confident	72.3	Confident	70 Å²	70	63.1 Å²	63.1	33%	0.327	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.4	176.5	-53.6	-167.6	142.2	0	0	109.5	C59 V60 Y62 K69 I87	C59-E89 CarbonylContact C-O 3.6Å; C59-E89 VanDerWaalsContact CA-O 3.3Å; C59-E89 WeakPolarHBondContact CA-O 3.27Å; V60-E89 PolarHBondContact N-O 3.02Å; V60-E89 PolarHBondContact O-N 3.21Å; Y62-E89 HydrophobicContact CD2-CB 4.48Å; Y62-E89 HydrophobicContact CD2-CG 4.07Å; Y62-E89 HydrophobicContact CE2-CB 4.02Å; Y62-E89 HydrophobicContact CE2-CG 4.01Å; Y62-E89 WeakPolarHBondContact CE2-OE2 3.41Å; K69-E89 IonicContact NZ-OE1 2.57Å; K69-E89 PolarHBondContact NZ-OE1 3.41Å; K69-E89 IonicContact NZ-OE2 3.12Å; K69-E89 PolarHBondContact NZ-OE2 3.26Å; K69-E89 VanDerWaalsContact NZ-OE2 3.12Å; I87-E89 HydrophobicContact CG2-CG 3.82Å
90	V	77.7	Confident	72	Confident	39 Å²	39	65.8 Å²	65.8	24%	0.236	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.9	173.4	-172.7	0	0	0	0	107.2	P26 L54 C58 E92 L96	P26-V90 HydrophobicContact CB-CG2 3.74Å; P26-V90 HydrophobicContact CG-CG2 3.48Å; P26-V90 VanDerWaalsContact CG-CG2 3.48Å; L54-V90 HydrophobicContact CD2-CG2 4.02Å; C58-V90 WeakPolarHBondContact O-CA 3.39Å; C58-V90 WeakPolarHBondContact O-CG1 3.35Å; V90-E92 PolarHBondContact O-N 2.96Å; V90-E92 VanDerWaalsContact O-N 3.13Å; V90-L96 HydrophobicContact CG1-CD1 4.15Å; V90-L96 HydrophobicContact CG2-CD1 4.33Å
91	L	76.4	Confident	72	Confident	88 Å²	88	64.4 Å²	64.4	46%	0.461	35%	0.352	S	S	.	.			trans	-60.5	113.4	168.8	-67.3	168.8	0	0	0	107.6	C58 V60	C58-L91 PolarHBondContact O-N 3.31Å; V60-L91 HydrophobicContact CG2-CD1 4.28Å; V60-L91 HydrophobicContact CG2-CD2 3.36Å; V60-L91 HydrophobicContact CG2-CG 3.85Å
92	E	54.6	Low	72	Confident	183 Å²	183	67.4 Å²	67.4	86%	0.855	37%	0.37	S	S	*	.	S	Bend	trans	-58.6	153	-173.4	-73	-176.4	157.3	0	0	112.6	V90	V90-E92 PolarHBondContact O-N 2.96Å; V90-E92 VanDerWaalsContact O-N 3.13Å
93	D	47.9	Very low	72.3	Confident	141 Å²	141	72.4 Å²	72.4	75%	0.754	38%	0.384	S	S	*	.	S	Bend	trans	88.9	24.4	-174.4	-64	-26.4	0	0	0	119.2
94	V	44.6	Very low	72.7	Confident	42 Å²	42	73.2 Å²	73.2	26%	0.255	37%	0.368	S	S	.	.			trans	-115.1	107.4	160.4	-170.2	0	0	0	0	109.9	L96	V94-L96 HydrophobicContact CB-CD2 4.42Å; V94-L96 HydrophobicContact CB-CG 4.49Å; V94-L96 HydrophobicContact CG1-CD2 3.83Å; V94-L96 HydrophobicContact CG1-CG 4.24Å; V94-L96 PolarHBondContact O-N 3.11Å
95	P	44.3	Very low	72.8	Confident	104 Å²	104	73 Å²	73	68%	0.675	37%	0.371	S	S	*	.			trans	-66.1	92.1	163.9	26.2	-29.2	0	0	0	107.3	T97	P95-T97 PolarHBondContact O-N 2.95Å
96	L	46.3	Very low	72.6	Confident	60 Å²	60	70.6 Å²	70.6	31%	0.314	36%	0.359	S	S	.	.			trans	-67.8	72.6	173.6	-66.3	171.3	0	0	0	108.6	L54 V90 V94 M98 V143	L54-L96 HydrophobicContact CD2-CD1 3.38Å; V90-L96 HydrophobicContact CG1-CD1 4.15Å; V90-L96 HydrophobicContact CG2-CD1 4.33Å; V94-L96 HydrophobicContact CB-CD2 4.42Å; V94-L96 HydrophobicContact CB-CG 4.49Å; V94-L96 HydrophobicContact CG1-CD2 3.83Å; V94-L96 HydrophobicContact CG1-CG 4.24Å; V94-L96 PolarHBondContact O-N 3.11Å; L96-M98 PolarHBondContact O-N 2.95Å; L96-V143 HydrophobicContact CB-CG1 4.42Å; L96-V143 HydrophobicContact CD2-CG1 3.69Å; L96-V143 HydrophobicContact CD2-CG2 4.25Å
97	T	58.3	Low	72.2	Confident	61 Å²	61	78.2 Å²	78.2	37%	0.374	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-70.9	117.5	163.8	61.8	0	0	0	0	106.3	P95 C144	P95-T97 PolarHBondContact O-N 2.95Å; T97-C144 WeakPolarHBondContact O-CA 3.39Å; T97-C144 WeakPolarHBondContact O-CB 3.2Å; T97-C144 PolarHBondContact O-N 3.48Å; T97-C144 WeakPolarHBondContact OG1-CB 3.37Å; T97-C144 PolarHBondContact OG1-O 3.42Å; T97-C144 VanDerWaalsContact OG1-O 3.1Å
98	M	61.7	Low	71.8	Confident	100 Å²	100	78.4 Å²	78.4	49%	0.493	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-69.2	147.3	169	-69.2	-63.6	-67.1	0	0	108.5	L96 N100 T142 V143	L96-M98 PolarHBondContact O-N 2.95Å; M98-N100 PolarHBondContact O-N 2.94Å; M98-T142 VanDerWaalsContact CE-O 3.27Å; M98-T142 WeakPolarHBondContact CE-O 3.47Å; M98-V143 HydrophobicContact SD-CG2 4.43Å
99	H	68.8	Low	71.7	Confident	28 Å²	28	82.3 Å²	82.3	13%	0.13	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-64.4	121.3	175.2	-77.4	-75.3	0	0	0	110.9	F101 C125 C128 P141 V143	H99-F101 HydrophobicContact CB-CD1 4.22Å; H99-F101 HydrophobicContact CB-CD2 3.66Å; H99-F101 HydrophobicContact CB-CE1 3.78Å; H99-F101 HydrophobicContact CB-CE2 3.18Å; H99-F101 HydrophobicContact CB-CG 4.16Å; H99-F101 HydrophobicContact CB-CZ 3.23Å; H99-F101 AromaticContact CD2-CE2 3.97Å; H99-F101 AromaticContact CD2-CZ 3.53Å; H99-F101 AromaticContact CG-CE1 3.8Å; H99-F101 AromaticContact CG-CE2 3.67Å; H99-F101 AromaticContact CG-CZ 3.21Å; H99-F101 AromaticContact ND1-CE1 3.77Å; H99-F101 AromaticContact ND1-CZ 3.6Å; H99-F101 PolarHBondContact O-N 3.39Å; H99-C125 PolarHBondContact ND1-SG 2.94Å; H99-C128 PolarHBondContact CE1-SG 3.27Å; H99-C128 PolarHBondContact ND1-SG 3.19Å; H99-C128 VanDerWaalsContact ND1-SG 3.4Å; H99-P141 PolarHBondContact CD2-O 3.3Å; H99-V143 VanDerWaalsContact CD2-C 3.46Å; H99-V143 PolarHBondContact NE2-O 3.45Å; H99-V143 VanDerWaalsContact NE2-O 3.16Å
100	N	78.6	Confident	71.8	Confident	85 Å²	85	79.1 Å²	79.1	46%	0.455	40%	0.403	S	S	.	.			trans	-89.3	93.1	165.7	-177.1	3.9	0	0	0	109.5	M98 C125 Q126	M98-N100 PolarHBondContact O-N 2.94Å; N100-C125 CarbonylContact O-C 3.54Å; N100-C125 VanDerWaalsContact O-CA 3.31Å; N100-C125 WeakPolarHBondContact O-CA 3.38Å; N100-Q126 PolarHBondContact ND2-OE1 3.41Å; N100-Q126 PolarHBondContact O-N 3.5Å
101	F	83.8	Confident	72.2	Confident	64 Å²	64	78.8 Å²	78.8	28%	0.281	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.7	-177.5	-68.5	-58.4	0	0	0	112.3	H99 F123 C125 Y130 F132 V140	H99-F101 HydrophobicContact CB-CD1 4.22Å; H99-F101 HydrophobicContact CB-CD2 3.66Å; H99-F101 HydrophobicContact CB-CE1 3.78Å; H99-F101 HydrophobicContact CB-CE2 3.18Å; H99-F101 HydrophobicContact CB-CG 4.16Å; H99-F101 HydrophobicContact CB-CZ 3.23Å; H99-F101 AromaticContact CD2-CE2 3.97Å; H99-F101 AromaticContact CD2-CZ 3.53Å; H99-F101 AromaticContact CG-CE1 3.8Å; H99-F101 AromaticContact CG-CE2 3.67Å; H99-F101 AromaticContact CG-CZ 3.21Å; H99-F101 AromaticContact ND1-CE1 3.77Å; H99-F101 AromaticContact ND1-CZ 3.6Å; H99-F101 PolarHBondContact O-N 3.39Å; F101-F123 HydrophobicContact CB-CB 4.38Å; F101-C125 HydrophobicContact CD1-CB 3.71Å; F101-C125 HydrophobicContact CE1-CB 3.57Å; F101-Y130 HydrophobicContact CE1-CD1 4.41Å; F101-F132 HydrophobicContact CD1-CD1 4.46Å; F101-F132 AromaticContact CD1-CE1 3.61Å; F101-F132 HydrophobicContact CD1-CE1 3.61Å; F101-F132 HydrophobicContact CD1-CZ 4.48Å; F101-F132 HydrophobicContact CD2-CE1 4.15Å; F101-F132 HydrophobicContact CD2-CZ 4.37Å; F101-F132 HydrophobicContact CE1-CD1 4.09Å; F101-F132 AromaticContact CE1-CE1 3.48Å; F101-F132 HydrophobicContact CE1-CE1 3.48Å; F101-F132 VanDerWaalsContact CE1-CE1 3.48Å; F101-F132 HydrophobicContact CE2-CE1 4.02Å; F101-F132 HydrophobicContact CE2-CZ 4.4Å; F101-F132 AromaticContact CG-CE1 3.96Å; F101-F132 HydrophobicContact CG-CE1 3.96Å; F101-F132 HydrophobicContact CG-CZ 4.41Å; F101-F132 HydrophobicContact CZ-CD1 4.42Å; F101-F132 AromaticContact CZ-CE1 3.7Å; F101-F132 HydrophobicContact CZ-CE1 3.7Å; F101-F132 HydrophobicContact CZ-CZ 4.5Å; F101-V140 HydrophobicContact CE1-CG1 4.49Å; F101-V140 HydrophobicContact CE2-CG1 4.06Å; F101-V140 HydrophobicContact CZ-CG1 3.55Å
102	V	82.3	Confident	72.8	Confident	63 Å²	63	74.6 Å²	74.6	38%	0.382	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.3	172.6	-178.6	0	0	0	0	109.6	K104 F123 R124 Q126	V102-K104 PolarHBondContact O-N 3.15Å; V102-F123 WeakPolarHBondContact O-CA 3.39Å; V102-R124 PolarHBondContact N-O 3.31Å; V102-R124 PolarHBondContact O-N 3.16Å; V102-Q126 HydrophobicContact CB-CG 4.44Å; V102-Q126 VanDerWaalsContact CG2-CD 3.47Å; V102-Q126 HydrophobicContact CG2-CG 3.77Å
103	R	89.1	Confident	74.2	Confident	178 Å²	178	67.4 Å²	67.4	67%	0.672	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.7	175.1	-163.8	-177.6	-89.7	-177	-5.4	108.6	G122 F123	R103-G122 CarbonylContact C-O 3.59Å; R103-G122 WeakPolarHBondContact CA-O 3.25Å; R103-F123 HydrophobicContact CB-CD1 4.22Å; R103-F123 HydrophobicContact CB-CE1 4.07Å; R103-F123 HydrophobicContact CG-CE1 4.28Å
104	K	86.9	Confident	76	Confident	85 Å²	85	64.5 Å²	64.5	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.7	-174.9	-173.4	168.3	-178.8	169.5	0	111	V102 F106 G122 R124	V102-K104 PolarHBondContact O-N 3.15Å; K104-F106 HydrophobicContact CB-CE2 4.05Å; K104-F106 HydrophobicContact CB-CZ 4.15Å; K104-F106 HydrophobicContact CD-CD1 4.36Å; K104-F106 HydrophobicContact CD-CE1 4Å; K104-F106 HydrophobicContact CD-CZ 4.2Å; K104-F106 HydrophobicContact CG-CD2 4.48Å; K104-F106 HydrophobicContact CG-CE1 4.38Å; K104-F106 HydrophobicContact CG-CE2 4.29Å; K104-F106 HydrophobicContact CG-CZ 4.26Å; K104-G122 PolarHBondContact N-O 3.26Å; K104-G122 PolarHBondContact O-N 3.44Å; K104-G122 VanDerWaalsContact O-N 3.1Å; K104-R124 HydrophobicContact CB-CB 4.39Å; K104-R124 HydrophobicContact CD-CB 4.28Å
105	T	88.5	Confident	77.9	Confident	52 Å²	52	64.1 Å²	64.1	32%	0.319	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.2	163.4	-58.2	0	0	0	0	108.3	F107 F120 H121	T105-F107 HydrophobicContact CG2-CE1 4.09Å; T105-F107 HydrophobicContact CG2-CE2 4.19Å; T105-F107 HydrophobicContact CG2-CZ 3.92Å; T105-F120 CarbonylContact C-O 3.55Å; T105-F120 WeakPolarHBondContact CA-O 3.3Å; T105-F120 HydrophobicContact CG2-CE1 4.48Å; T105-F120 HydrophobicContact CG2-CE2 4.38Å; T105-F120 HydrophobicContact CG2-CZ 4.21Å; T105-H121 VanDerWaalsContact CG2-CE1 3.47Å; T105-H121 WeakPolarHBondContact CG2-CE1 3.47Å; T105-H121 WeakPolarHBondContact CG2-ND1 3.22Å; T105-H121 PolarHBondContact OG1-CE1 3.32Å; T105-H121 PolarHBondContact OG1-ND1 3.36Å
106	F	84.6	Confident	79.8	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.035	30%	0.304	C	S	.	.			trans	-101.4	102.5	-177.8	-61.6	-97.2	0	0	0	108.7	K104 S108 A110 L119 F120 R124 K131	K104-F106 HydrophobicContact CB-CE2 4.05Å; K104-F106 HydrophobicContact CB-CZ 4.15Å; K104-F106 HydrophobicContact CD-CD1 4.36Å; K104-F106 HydrophobicContact CD-CE1 4Å; K104-F106 HydrophobicContact CD-CZ 4.2Å; K104-F106 HydrophobicContact CG-CD2 4.48Å; K104-F106 HydrophobicContact CG-CE1 4.38Å; K104-F106 HydrophobicContact CG-CE2 4.29Å; K104-F106 HydrophobicContact CG-CZ 4.26Å; F106-S108 VanDerWaalsContact C-N 3.34Å; F106-A110 HydrophobicContact CB-CB 3.89Å; F106-A110 HydrophobicContact CD1-CB 3.73Å; F106-A110 HydrophobicContact CE1-CB 4.44Å; F106-A110 HydrophobicContact CG-CB 3.92Å; F106-L119 WeakPolarHBondContact CB-O 3.31Å; F106-L119 HydrophobicContact CD2-CD2 4.06Å; F106-L119 HydrophobicContact CD2-CG 3.91Å; F106-L119 HydrophobicContact CE2-CD2 3.57Å; F106-L119 HydrophobicContact CE2-CG 3.86Å; F106-L119 HydrophobicContact CZ-CD2 3.84Å; F106-F120 PolarHBondContact N-O 3.39Å; F106-F120 WeakPolarHBondContact O-CD2 3.38Å; F106-R124 HydrophobicContact CZ-CB 4.01Å; F106-K131 HydrophobicContact CE1-CB 4.27Å; F106-K131 HydrophobicContact CE1-CD 4.26Å; F106-K131 HydrophobicContact CZ-CB 3.89Å
107	F	81.6	Confident	81.7	Confident	161 Å²	161	65.8 Å²	65.8	71%	0.706	32%	0.32	S	S	*	.	S	Bend	trans	-79.4	-18.6	176.4	-64.4	-74.3	0	0	0	113.1	T105	T105-F107 HydrophobicContact CG2-CE1 4.09Å; T105-F107 HydrophobicContact CG2-CE2 4.19Å; T105-F107 HydrophobicContact CG2-CZ 3.92Å
108	S	81.8	Confident	83.2	Confident	32 Å²	32	65.7 Å²	65.7	22%	0.224	31%	0.314	C	S	.	.	S	Bend	trans	-96.4	155.9	169.7	60.7	0	0	0	0	110.8	F106 A110	F106-S108 VanDerWaalsContact C-N 3.34Å; S108-A110 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact O-N 3.17Å
109	L	83.2	Confident	84.5	Confident	85 Å²	85	60.9 Å²	60.9	45%	0.445	29%	0.29	S	S	.	.			trans	-51.5	122.2	175.5	-171	70.7	0	0	0	110.5	F111 F118 A565	L109-F111 HydrophobicContact CD1-CE2 4.35Å; L109-F111 HydrophobicContact CD1-CZ 4.15Å; L109-F111 HydrophobicContact CD2-CE2 4Å; L109-F111 HydrophobicContact CD2-CZ 4.22Å; L109-F111 HydrophobicContact CG-CE2 3.87Å; L109-F111 HydrophobicContact CG-CZ 4.15Å; L109-F118 HydrophobicContact CD1-CD2 3.84Å; L109-F118 HydrophobicContact CD1-CE2 3.84Å; L109-A565 HydrophobicContact CD2-CB 4.22Å; L109-A565 HydrophobicContact CG-CB 4.45Å
110	A	86.1	Confident	85.5	Confident	3 Å²	3	64 Å²	64	3%	0.025	30%	0.304	C	S	.	.			trans	-145.2	151.7	-180	0	0	0	0	0	109.8	F106 S108 F118 L119 K131	F106-A110 HydrophobicContact CB-CB 3.89Å; F106-A110 HydrophobicContact CD1-CB 3.73Å; F106-A110 HydrophobicContact CE1-CB 4.44Å; F106-A110 HydrophobicContact CG-CB 3.92Å; S108-A110 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact O-N 3.17Å; A110-F118 WeakPolarHBondContact O-CD2 3.46Å; A110-L119 HydrophobicContact CB-CB 4.47Å; A110-L119 PolarHBondContact O-N 3.2Å; A110-K131 HydrophobicContact CB-CD 4.45Å
111	F	88.1	Confident	86	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.14	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-125.1	151.5	178.3	-61	-89.7	0	0	0	110.1	L109 K117 K131 Q562 A565	L109-F111 HydrophobicContact CD1-CE2 4.35Å; L109-F111 HydrophobicContact CD1-CZ 4.15Å; L109-F111 HydrophobicContact CD2-CE2 4Å; L109-F111 HydrophobicContact CD2-CZ 4.22Å; L109-F111 HydrophobicContact CG-CE2 3.87Å; L109-F111 HydrophobicContact CG-CZ 4.15Å; F111-K117 CarbonylContact C-O 3.59Å; F111-K117 VanDerWaalsContact CA-O 3.32Å; F111-K117 WeakPolarHBondContact CA-O 3.37Å; F111-K131 WeakPolarHBondContact O-CD 3.35Å; F111-K131 WeakPolarHBondContact O-CE 3.39Å; F111-K131 WeakPolarHBondContact O-CG 3.44Å; F111-Q562 HydrophobicContact CB-CG 4.23Å; F111-Q562 HydrophobicContact CD1-CG 3.98Å; F111-Q562 HydrophobicContact CD2-CB 4.32Å; F111-Q562 HydrophobicContact CD2-CG 3.97Å; F111-Q562 HydrophobicContact CE1-CG 4.35Å; F111-Q562 HydrophobicContact CE2-CG 4.33Å; F111-Q562 HydrophobicContact CG-CG 3.79Å; F111-A565 HydrophobicContact CD2-CB 3.94Å; F111-A565 HydrophobicContact CE2-CB 3.72Å
112	C	88	Confident	86.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.296	C	S	.	.			trans	-70.2	127	171.7	175.2	0	0	0	0	109.8	F114 C115 L116 K117 F132 H133	C112-F114 PolarHBondContact O-N 3.19Å; C112-F114 VanDerWaalsContact O-N 3.17Å; C112-F114 PolarHBondContact SG-N 2.97Å; C112-C115 VanDerWaalsContact CB-SG 3.51Å; C112-C115 PolarHBondContact SG-N 3.43Å; C112-C115 VanDerWaalsContact SG-N 3.45Å; C112-L116 WeakPolarHBondContact O-CA 3.38Å; C112-L116 PolarHBondContact O-N 2.77Å; C112-K117 PolarHBondContact N-O 2.85Å; C112-F132 VanDerWaalsContact SG-CA 3.54Å; C112-H133 WeakPolarHBondContact CB-CE1 3.47Å; C112-H133 VanDerWaalsContact CB-ND1 3.26Å; C112-H133 WeakPolarHBondContact CB-ND1 3.44Å
113	D	84.3	Confident	86.7	Confident	32 Å²	32	61.6 Å²	61.6	17%	0.171	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.1	179.6	-65.3	-26.1	0	0	0	112.8	Y130 K131 R544	D113-Y130 HydrophobicContact CB-CD1 4.4Å; D113-Y130 HydrophobicContact CB-CD2 4Å; D113-Y130 HydrophobicContact CB-CE1 4.04Å; D113-Y130 HydrophobicContact CB-CE2 3.59Å; D113-Y130 HydrophobicContact CB-CG 4.36Å; D113-Y130 PolarHBondContact O-OH 3.39Å; D113-Y130 WeakPolarHBondContact OD2-CA 3.3Å; D113-K131 WeakPolarHBondContact CB-O 3.38Å; D113-K131 PolarHBondContact N-O 2.85Å; D113-K131 IonicContact OD1-NZ 3.86Å; D113-K131 PolarHBondContact OD1-NZ 2.71Å; D113-K131 VanDerWaalsContact OD2-CG 3.28Å; D113-K131 WeakPolarHBondContact OD2-CG 3.42Å; D113-K131 PolarHBondContact OD2-N 2.75Å; D113-K131 IonicContact OD2-NZ 3.5Å; D113-R544 IonicContact OD1-NH2 3.26Å; D113-R544 IonicContact OD2-CZ 2.81Å; D113-R544 IonicContact OD2-NH1 2.86Å; D113-R544 PolarHBondContact OD2-NH1 3.32Å; D113-R544 IonicContact OD2-NH2 3.86Å; D113-R544 PolarHBondContact OD2-NH2 3.24Å
114	F	85.1	Confident	86.4	Confident	80 Å²	80	57 Å²	57	35%	0.351	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-61	173.6	174.5	-96	0	0	0	112.3	C112 C136 K139	C112-F114 PolarHBondContact O-N 3.19Å; C112-F114 VanDerWaalsContact O-N 3.17Å; C112-F114 PolarHBondContact SG-N 2.97Å; F114-C136 HydrophobicContact CB-CB 4.38Å; F114-C136 HydrophobicContact CD1-CB 3.98Å; F114-C136 HydrophobicContact CG-CB 4.46Å; F114-K139 HydrophobicContact CD1-CB 4.22Å; F114-K139 HydrophobicContact CD1-CD 4.2Å; F114-K139 HydrophobicContact CD2-CB 3.8Å; F114-K139 HydrophobicContact CE1-CB 4.04Å; F114-K139 HydrophobicContact CE1-CD 3.31Å; F114-K139 HydrophobicContact CE1-CG 4.29Å; F114-K139 HydrophobicContact CE2-CB 3.56Å; F114-K139 HydrophobicContact CE2-CD 3.84Å; F114-K139 HydrophobicContact CE2-CG 4.35Å; F114-K139 HydrophobicContact CG-CB 4.16Å; F114-K139 HydrophobicContact CZ-CB 3.73Å; F114-K139 HydrophobicContact CZ-CD 3.11Å; F114-K139 HydrophobicContact CZ-CG 4.06Å
115	C	85.7	Confident	86.2	Confident	34 Å²	34	52.9 Å²	52.9	23%	0.23	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-4.5	-174	73.3	0	0	0	0	113.6	C112 K117 H133	C112-C115 VanDerWaalsContact CB-SG 3.51Å; C112-C115 PolarHBondContact SG-N 3.43Å; C112-C115 VanDerWaalsContact SG-N 3.45Å; C115-K117 PolarHBondContact O-N 2.85Å; C115-H133 PolarHBondContact SG-CE1 2.8Å; C115-H133 PolarHBondContact SG-ND1 2.99Å
116	L	83.2	Confident	85.6	Confident	52 Å²	52	56.1 Å²	56.1	27%	0.272	26%	0.263	S	S	.	.			trans	61.4	12.8	177.6	-52.2	-179.3	0	0	0	114.8	C112 Q562	C112-L116 WeakPolarHBondContact O-CA 3.38Å; C112-L116 PolarHBondContact O-N 2.77Å; L116-Q562 VanDerWaalsContact CB-NE2 3.34Å; L116-Q562 PolarHBondContact O-NE2 3.3Å
117	K	86.6	Confident	84.9	Confident	147 Å²	147	58.5 Å²	58.5	64%	0.639	28%	0.278	S	S	*	.	S	Bend	trans	-90.8	158.5	176.4	-62.9	179.2	-178.1	-178.7	0	112.1	F111 C112 C115 L119	F111-K117 CarbonylContact C-O 3.59Å; F111-K117 VanDerWaalsContact CA-O 3.32Å; F111-K117 WeakPolarHBondContact CA-O 3.37Å; C112-K117 PolarHBondContact N-O 2.85Å; C115-K117 PolarHBondContact O-N 2.85Å; K117-L119 PolarHBondContact O-N 3.5Å
118	F	89.3	Confident	84.3	Confident	58 Å²	58	52 Å²	52	25%	0.254	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-52.2	136.1	178.2	176.4	-106.4	0	0	0	112.2	L109 A110 F120 H133 T213	L109-F118 HydrophobicContact CD1-CD2 3.84Å; L109-F118 HydrophobicContact CD1-CE2 3.84Å; A110-F118 WeakPolarHBondContact O-CD2 3.46Å; F118-F120 HydrophobicContact CE1-CB 3.79Å; F118-F120 HydrophobicContact CZ-CB 4.23Å; F118-F120 HydrophobicContact CZ-CD2 4.42Å; F118-H133 PolarHBondContact O-CE1 2.94Å; F118-H133 PolarHBondContact O-NE2 2.9Å; F118-T213 HydrophobicContact CD1-CG2 3.93Å
119	L	89.2	Confident	84.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.			trans	-124.9	104.1	-172.6	179.9	65.6	0	0	0	110.3	F106 A110 K117 H121 K131 H133	F106-L119 WeakPolarHBondContact CB-O 3.31Å; F106-L119 HydrophobicContact CD2-CD2 4.06Å; F106-L119 HydrophobicContact CD2-CG 3.91Å; F106-L119 HydrophobicContact CE2-CD2 3.57Å; F106-L119 HydrophobicContact CE2-CG 3.86Å; F106-L119 HydrophobicContact CZ-CD2 3.84Å; A110-L119 HydrophobicContact CB-CB 4.47Å; A110-L119 PolarHBondContact O-N 3.2Å; K117-L119 PolarHBondContact O-N 3.5Å; L119-H121 WeakPolarHBondContact CD1-O 3.37Å; L119-K131 HydrophobicContact CD2-CB 3.83Å; L119-K131 HydrophobicContact CD2-CG 4.28Å; L119-H133 HydrophobicContact CD1-CB 4.38Å; L119-H133 WeakPolarHBondContact CD1-CD2 3.39Å
120	F	89.7	Confident	84.1	Confident	93 Å²	93	48.3 Å²	48.3	41%	0.408	23%	0.232	S	C	.	.	S	Bend	trans	-94.9	-46.9	174.4	-171.8	-118.7	0	0	0	112.5	T105 F106 F118	T105-F120 CarbonylContact C-O 3.55Å; T105-F120 WeakPolarHBondContact CA-O 3.3Å; T105-F120 HydrophobicContact CG2-CE1 4.48Å; T105-F120 HydrophobicContact CG2-CE2 4.38Å; T105-F120 HydrophobicContact CG2-CZ 4.21Å; F106-F120 PolarHBondContact N-O 3.39Å; F106-F120 WeakPolarHBondContact O-CD2 3.38Å; F118-F120 HydrophobicContact CE1-CB 3.79Å; F118-F120 HydrophobicContact CZ-CB 4.23Å; F118-F120 HydrophobicContact CZ-CD2 4.42Å
121	H	88.4	Confident	84.2	Confident	113 Å²	113	48.5 Å²	48.5	52%	0.523	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.4	173.1	-61.7	-60.5	0	0	0	110.4	T105 L119	T105-H121 VanDerWaalsContact CG2-CE1 3.47Å; T105-H121 WeakPolarHBondContact CG2-CE1 3.47Å; T105-H121 WeakPolarHBondContact CG2-ND1 3.22Å; T105-H121 PolarHBondContact OG1-CE1 3.32Å; T105-H121 PolarHBondContact OG1-ND1 3.36Å; L119-H121 WeakPolarHBondContact CD1-O 3.37Å
122	G	91.4	Very high	84.4	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-145.7	174.7	0	0	0	0	0	112.3	R103 K104 F132	R103-G122 CarbonylContact C-O 3.59Å; R103-G122 WeakPolarHBondContact CA-O 3.25Å; K104-G122 PolarHBondContact N-O 3.26Å; K104-G122 PolarHBondContact O-N 3.44Å; K104-G122 VanDerWaalsContact O-N 3.1Å; G122-F132 WeakPolarHBondContact CA-O 3.19Å
123	F	89.4	Confident	84.6	Confident	44 Å²	44	48.5 Å²	48.5	19%	0.193	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.4	-179.1	-63	-88	0	0	0	110	F101 V102 R103 K131 F132 Q134	F101-F123 HydrophobicContact CB-CB 4.38Å; V102-F123 WeakPolarHBondContact O-CA 3.39Å; R103-F123 HydrophobicContact CB-CD1 4.22Å; R103-F123 HydrophobicContact CB-CE1 4.07Å; R103-F123 HydrophobicContact CG-CE1 4.28Å; F123-K131 VanDerWaalsContact O-CA 3.23Å; F123-K131 WeakPolarHBondContact O-CA 3.4Å; F123-F132 HydrophobicContact CB-CD1 4.06Å; F123-F132 HydrophobicContact CB-CE1 3.47Å; F123-F132 VanDerWaalsContact CB-CE1 3.47Å; F123-F132 HydrophobicContact CB-CE2 4.18Å; F123-F132 HydrophobicContact CB-CZ 3.52Å; F123-F132 AromaticContact CD2-CE2 3.78Å; F123-F132 HydrophobicContact CD2-CE2 3.78Å; F123-F132 AromaticContact CD2-CZ 3.83Å; F123-F132 HydrophobicContact CD2-CZ 3.83Å; F123-F132 HydrophobicContact CG-CE1 4.3Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.85Å; F123-F132 HydrophobicContact CG-CZ 3.85Å; F123-F132 PolarHBondContact N-O 3.14Å; F123-F132 PolarHBondContact O-N 3.07Å; F123-Q134 HydrophobicContact CE2-CB 3.82Å; F123-Q134 HydrophobicContact CE2-CG 3.94Å
124	R	84.5	Confident	84.8	Confident	81 Å²	81	52.4 Å²	52.4	31%	0.306	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.1	172	-176.3	177.3	175.4	-107.5	4.8	109.6	V102 K104 F106 Q126 Y130	V102-R124 PolarHBondContact N-O 3.31Å; V102-R124 PolarHBondContact O-N 3.16Å; K104-R124 HydrophobicContact CB-CB 4.39Å; K104-R124 HydrophobicContact CD-CB 4.28Å; F106-R124 HydrophobicContact CZ-CB 4.01Å; R124-Q126 PolarHBondContact O-N 2.84Å; R124-Y130 CarbonylContact C-O 3.6Å; R124-Y130 VanDerWaalsContact CA-O 3.3Å; R124-Y130 WeakPolarHBondContact CA-O 3.37Å
125	C	81.6	Confident	85	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.7	170.4	-175.2	0	0	0	0	109.4	H99 N100 F101 T127 C128 G129 Y130	H99-C125 PolarHBondContact ND1-SG 2.94Å; N100-C125 CarbonylContact O-C 3.54Å; N100-C125 VanDerWaalsContact O-CA 3.31Å; N100-C125 WeakPolarHBondContact O-CA 3.38Å; F101-C125 HydrophobicContact CD1-CB 3.71Å; F101-C125 HydrophobicContact CE1-CB 3.57Å; C125-T127 VanDerWaalsContact C-N 3.26Å; C125-T127 PolarHBondContact O-N 3.38Å; C125-T127 PolarHBondContact SG-N 2.88Å; C125-T127 VanDerWaalsContact SG-N 3.41Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C125-C128 VanDerWaalsContact SG-SG 3.6Å; C125-G129 WeakPolarHBondContact O-CA 3.45Å; C125-G129 PolarHBondContact O-N 3.31Å; C125-Y130 PolarHBondContact N-O 3.48Å
126	Q	75.6	Confident	85	Confident	119 Å²	119	53.5 Å²	53.5	56%	0.556	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.8	176.1	-69.3	-176.4	-38.8	0	0	112.6	N100 V102 R124	N100-Q126 PolarHBondContact ND2-OE1 3.41Å; N100-Q126 PolarHBondContact O-N 3.5Å; V102-Q126 HydrophobicContact CB-CG 4.44Å; V102-Q126 VanDerWaalsContact CG2-CD 3.47Å; V102-Q126 HydrophobicContact CG2-CG 3.77Å; R124-Q126 PolarHBondContact O-N 2.84Å
127	T	70.3	Confident	85.1	Confident	58 Å²	58	54.2 Å²	54.2	36%	0.356	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-54.2	-175.3	-44.7	0	0	0	0	113.2	C125	C125-T127 VanDerWaalsContact C-N 3.26Å; C125-T127 PolarHBondContact O-N 3.38Å; C125-T127 PolarHBondContact SG-N 2.88Å; C125-T127 VanDerWaalsContact SG-N 3.41Å
128	C	69.8	Low	84.8	Confident	25 Å²	25	52.1 Å²	52.1	17%	0.169	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-6	-177	62.7	0	0	0	0	114.1	H99 C125 Y130 C144	H99-C128 PolarHBondContact CE1-SG 3.27Å; H99-C128 PolarHBondContact ND1-SG 3.19Å; H99-C128 VanDerWaalsContact ND1-SG 3.4Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C125-C128 VanDerWaalsContact SG-SG 3.6Å; C128-Y130 VanDerWaalsContact C-N 3.28Å; C128-Y130 PolarHBondContact O-N 3.41Å; C128-C144 WeakPolarHBondContact CB-SG 3.15Å
129	G	77.4	Confident	84.3	Confident	12 Å²	12	55.6 Å²	55.6	12%	0.124	28%	0.281	C	S	.	.			trans	77.8	4.7	-178	0	0	0	0	0	115.4	C125 K131	C125-G129 WeakPolarHBondContact O-CA 3.45Å; C125-G129 PolarHBondContact O-N 3.31Å; G129-K131 PolarHBondContact O-N 2.9Å
130	Y	82.6	Confident	83.7	Confident	28 Å²	28	56.5 Å²	56.5	11%	0.11	29%	0.286	C	S	.	.			trans	-55.7	121.5	179.3	-165.1	-79.3	0	0	0	112.1	F101 D113 R124 C125 C128 F132 V140	F101-Y130 HydrophobicContact CE1-CD1 4.41Å; D113-Y130 HydrophobicContact CB-CD1 4.4Å; D113-Y130 HydrophobicContact CB-CD2 4Å; D113-Y130 HydrophobicContact CB-CE1 4.04Å; D113-Y130 HydrophobicContact CB-CE2 3.59Å; D113-Y130 HydrophobicContact CB-CG 4.36Å; D113-Y130 PolarHBondContact O-OH 3.39Å; D113-Y130 WeakPolarHBondContact OD2-CA 3.3Å; R124-Y130 CarbonylContact C-O 3.6Å; R124-Y130 VanDerWaalsContact CA-O 3.3Å; R124-Y130 WeakPolarHBondContact CA-O 3.37Å; C125-Y130 PolarHBondContact N-O 3.48Å; C128-Y130 VanDerWaalsContact C-N 3.28Å; C128-Y130 PolarHBondContact O-N 3.41Å; Y130-F132 AromaticContact CD1-CD1 4Å; Y130-F132 HydrophobicContact CD1-CD1 4Å; Y130-F132 HydrophobicContact CE1-CB 4.12Å; Y130-F132 HydrophobicContact CE1-CD1 4.18Å; Y130-F132 HydrophobicContact CE1-CG 4.44Å; Y130-V140 HydrophobicContact CD1-CG1 3.93Å; Y130-V140 HydrophobicContact CE1-CB 4.43Å; Y130-V140 HydrophobicContact CE1-CG1 3.68Å; Y130-V140 HydrophobicContact CE1-CG2 4.14Å
131	K	88.4	Confident	82.8	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.7	-169.6	54.5	-177	-171.4	-47.2	0	111.1	F106 A110 F111 D113 L119 F123 G129	F106-K131 HydrophobicContact CE1-CB 4.27Å; F106-K131 HydrophobicContact CE1-CD 4.26Å; F106-K131 HydrophobicContact CZ-CB 3.89Å; A110-K131 HydrophobicContact CB-CD 4.45Å; F111-K131 WeakPolarHBondContact O-CD 3.35Å; F111-K131 WeakPolarHBondContact O-CE 3.39Å; F111-K131 WeakPolarHBondContact O-CG 3.44Å; D113-K131 WeakPolarHBondContact CB-O 3.38Å; D113-K131 PolarHBondContact N-O 2.85Å; D113-K131 IonicContact OD1-NZ 3.86Å; D113-K131 PolarHBondContact OD1-NZ 2.71Å; D113-K131 VanDerWaalsContact OD2-CG 3.28Å; D113-K131 WeakPolarHBondContact OD2-CG 3.42Å; D113-K131 PolarHBondContact OD2-N 2.75Å; D113-K131 IonicContact OD2-NZ 3.5Å; L119-K131 HydrophobicContact CD2-CB 3.83Å; L119-K131 HydrophobicContact CD2-CG 4.28Å; F123-K131 VanDerWaalsContact O-CA 3.23Å; F123-K131 WeakPolarHBondContact O-CA 3.4Å; G129-K131 PolarHBondContact O-N 2.9Å
132	F	91.5	Very high	81.6	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.039	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	159.2	-176.2	68.3	-80.4	0	0	0	113.2	F101 C112 G122 F123 Y130 C136 S137 V140	F101-F132 HydrophobicContact CD1-CD1 4.46Å; F101-F132 AromaticContact CD1-CE1 3.61Å; F101-F132 HydrophobicContact CD1-CE1 3.61Å; F101-F132 HydrophobicContact CD1-CZ 4.48Å; F101-F132 HydrophobicContact CD2-CE1 4.15Å; F101-F132 HydrophobicContact CD2-CZ 4.37Å; F101-F132 HydrophobicContact CE1-CD1 4.09Å; F101-F132 AromaticContact CE1-CE1 3.48Å; F101-F132 HydrophobicContact CE1-CE1 3.48Å; F101-F132 VanDerWaalsContact CE1-CE1 3.48Å; F101-F132 HydrophobicContact CE2-CE1 4.02Å; F101-F132 HydrophobicContact CE2-CZ 4.4Å; F101-F132 AromaticContact CG-CE1 3.96Å; F101-F132 HydrophobicContact CG-CE1 3.96Å; F101-F132 HydrophobicContact CG-CZ 4.41Å; F101-F132 HydrophobicContact CZ-CD1 4.42Å; F101-F132 AromaticContact CZ-CE1 3.7Å; F101-F132 HydrophobicContact CZ-CE1 3.7Å; F101-F132 HydrophobicContact CZ-CZ 4.5Å; C112-F132 VanDerWaalsContact SG-CA 3.54Å; G122-F132 WeakPolarHBondContact CA-O 3.19Å; F123-F132 HydrophobicContact CB-CD1 4.06Å; F123-F132 HydrophobicContact CB-CE1 3.47Å; F123-F132 VanDerWaalsContact CB-CE1 3.47Å; F123-F132 HydrophobicContact CB-CE2 4.18Å; F123-F132 HydrophobicContact CB-CZ 3.52Å; F123-F132 AromaticContact CD2-CE2 3.78Å; F123-F132 HydrophobicContact CD2-CE2 3.78Å; F123-F132 AromaticContact CD2-CZ 3.83Å; F123-F132 HydrophobicContact CD2-CZ 3.83Å; F123-F132 HydrophobicContact CG-CE1 4.3Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.85Å; F123-F132 HydrophobicContact CG-CZ 3.85Å; F123-F132 PolarHBondContact N-O 3.14Å; F123-F132 PolarHBondContact O-N 3.07Å; Y130-F132 AromaticContact CD1-CD1 4Å; Y130-F132 HydrophobicContact CD1-CD1 4Å; Y130-F132 HydrophobicContact CE1-CB 4.12Å; Y130-F132 HydrophobicContact CE1-CD1 4.18Å; Y130-F132 HydrophobicContact CE1-CG 4.44Å; F132-C136 HydrophobicContact CB-CB 4.36Å; F132-C136 HydrophobicContact CD2-CB 4.32Å; F132-S137 VanDerWaalsContact CE2-CA 3.48Å; F132-V140 HydrophobicContact CB-CG2 4.02Å; F132-V140 HydrophobicContact CD1-CG1 4.27Å; F132-V140 HydrophobicContact CD1-CG2 3.73Å; F132-V140 HydrophobicContact CD2-CG2 3.35Å; F132-V140 HydrophobicContact CE1-CG1 4.23Å; F132-V140 HydrophobicContact CE1-CG2 3.98Å; F132-V140 HydrophobicContact CE2-CG2 3.7Å; F132-V140 HydrophobicContact CG-CG2 3.41Å; F132-V140 VanDerWaalsContact CG-CG2 3.41Å; F132-V140 HydrophobicContact CZ-CG2 3.98Å
133	H	91.9	Very high	80.2	Confident	23 Å²	23	54 Å²	54	11%	0.106	29%	0.287	C	S	.	.			trans	-72.8	152.1	173.5	-59.8	104	0	0	0	111.5	C112 C115 F118 L119 H135 C136	C112-H133 WeakPolarHBondContact CB-CE1 3.47Å; C112-H133 VanDerWaalsContact CB-ND1 3.26Å; C112-H133 WeakPolarHBondContact CB-ND1 3.44Å; C115-H133 PolarHBondContact SG-CE1 2.8Å; C115-H133 PolarHBondContact SG-ND1 2.99Å; F118-H133 PolarHBondContact O-CE1 2.94Å; F118-H133 PolarHBondContact O-NE2 2.9Å; L119-H133 HydrophobicContact CD1-CB 4.38Å; L119-H133 WeakPolarHBondContact CD1-CD2 3.39Å; H133-H135 WeakPolarHBondContact CB-CE1 3.38Å; H133-H135 AromaticContact CD2-CE1 3.92Å; H133-H135 AromaticContact CG-CE1 3.4Å; H133-H135 VanDerWaalsContact CG-CE1 3.4Å; H133-H135 AromaticContact CG-NE2 3.84Å; H133-H135 AromaticContact ND1-CE1 3.81Å; H133-H135 AromaticContact ND1-NE2 3.83Å; H133-H135 PolarHBondContact O-N 2.97Å; H133-H135 VanDerWaalsContact O-N 3.15Å; H133-C136 HydrophobicContact CB-CB 4.34Å; H133-C136 WeakPolarHBondContact O-CA 3.39Å; H133-C136 WeakPolarHBondContact O-CB 3.48Å; H133-C136 PolarHBondContact O-N 3.45Å
134	Q	89	Confident	79	Confident	114 Å²	114	52.3 Å²	52.3	53%	0.533	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-53.9	-38.3	174.3	-177	168.7	-0.9	0	0	113.6	F123 C136 S137	F123-Q134 HydrophobicContact CE2-CB 3.82Å; F123-Q134 HydrophobicContact CE2-CG 3.94Å; Q134-C136 VanDerWaalsContact C-N 3.27Å; Q134-C136 PolarHBondContact O-N 2.96Å; Q134-S137 VanDerWaalsContact O-CB 3.29Å; Q134-S137 WeakPolarHBondContact O-CB 3.49Å; Q134-S137 PolarHBondContact O-N 3.22Å; Q134-S137 PolarHBondContact O-OG 3.27Å; Q134-S137 VanDerWaalsContact O-OG 3.11Å
135	H	88.5	Confident	77.5	Confident	131 Å²	131	50.8 Å²	50.8	61%	0.606	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-76.1	-11.6	178	63.4	-98.6	0	0	0	114.1	H133 S137	H133-H135 WeakPolarHBondContact CB-CE1 3.38Å; H133-H135 AromaticContact CD2-CE1 3.92Å; H133-H135 AromaticContact CG-CE1 3.4Å; H133-H135 VanDerWaalsContact CG-CE1 3.4Å; H133-H135 AromaticContact CG-NE2 3.84Å; H133-H135 AromaticContact ND1-CE1 3.81Å; H133-H135 AromaticContact ND1-NE2 3.83Å; H133-H135 PolarHBondContact O-N 2.97Å; H133-H135 VanDerWaalsContact O-N 3.15Å; H135-S137 VanDerWaalsContact C-N 3.34Å
136	C	87.5	Confident	75.9	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.034	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-88.2	-3.5	173.1	-63.5	0	0	0	0	112.3	F114 F132 H133 Q134 S138 K139 V140	F114-C136 HydrophobicContact CB-CB 4.38Å; F114-C136 HydrophobicContact CD1-CB 3.98Å; F114-C136 HydrophobicContact CG-CB 4.46Å; F132-C136 HydrophobicContact CB-CB 4.36Å; F132-C136 HydrophobicContact CD2-CB 4.32Å; H133-C136 HydrophobicContact CB-CB 4.34Å; H133-C136 WeakPolarHBondContact O-CA 3.39Å; H133-C136 WeakPolarHBondContact O-CB 3.48Å; H133-C136 PolarHBondContact O-N 3.45Å; Q134-C136 VanDerWaalsContact C-N 3.27Å; Q134-C136 PolarHBondContact O-N 2.96Å; C136-S138 VanDerWaalsContact C-N 3.26Å; C136-S138 PolarHBondContact O-N 3.49Å; C136-S138 VanDerWaalsContact O-N 3.16Å; C136-K139 PolarHBondContact O-N 3.06Å; C136-V140 WeakPolarHBondContact O-CG2 3.27Å
137	S	84.8	Confident	74.2	Confident	67 Å²	67	54.9 Å²	54.9	47%	0.469	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55	-37	-171.1	64.5	0	0	0	0	114.2	F132 Q134 H135 K139 V140	F132-S137 VanDerWaalsContact CE2-CA 3.48Å; Q134-S137 VanDerWaalsContact O-CB 3.29Å; Q134-S137 WeakPolarHBondContact O-CB 3.49Å; Q134-S137 PolarHBondContact O-N 3.22Å; Q134-S137 PolarHBondContact O-OG 3.27Å; Q134-S137 VanDerWaalsContact O-OG 3.11Å; H135-S137 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.4Å; S137-V140 PolarHBondContact O-N 3.4Å
138	S	79.4	Confident	72.8	Confident	104 Å²	104	53.4 Å²	53.4	73%	0.727	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68.7	-13.5	-179.3	55.1	0	0	0	0	114	C136	C136-S138 VanDerWaalsContact C-N 3.26Å; C136-S138 PolarHBondContact O-N 3.49Å; C136-S138 VanDerWaalsContact O-N 3.16Å
139	K	80.1	Confident	71.4	Confident	131 Å²	131	56.1 Å²	56.1	57%	0.57	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-110.9	1.3	-177	-54.8	-173.5	-179.9	-174.4	0	112.8	F114 C136 S137	F114-K139 HydrophobicContact CD1-CB 4.22Å; F114-K139 HydrophobicContact CD1-CD 4.2Å; F114-K139 HydrophobicContact CD2-CB 3.8Å; F114-K139 HydrophobicContact CE1-CB 4.04Å; F114-K139 HydrophobicContact CE1-CD 3.31Å; F114-K139 HydrophobicContact CE1-CG 4.29Å; F114-K139 HydrophobicContact CE2-CB 3.56Å; F114-K139 HydrophobicContact CE2-CD 3.84Å; F114-K139 HydrophobicContact CE2-CG 4.35Å; F114-K139 HydrophobicContact CG-CB 4.16Å; F114-K139 HydrophobicContact CZ-CB 3.73Å; F114-K139 HydrophobicContact CZ-CD 3.11Å; F114-K139 HydrophobicContact CZ-CG 4.06Å; C136-K139 PolarHBondContact O-N 3.06Å; S137-K139 PolarHBondContact O-N 3.4Å
140	V	75.1	Confident	69.5	Low	18 Å²	18	58.8 Å²	58.8	11%	0.109	32%	0.322	C	S	.	.	S	Bend	trans	-76.9	136.5	179	-179.2	0	0	0	0	109.2	F101 Y130 F132 C136 S137 T142	F101-V140 HydrophobicContact CE1-CG1 4.49Å; F101-V140 HydrophobicContact CE2-CG1 4.06Å; F101-V140 HydrophobicContact CZ-CG1 3.55Å; Y130-V140 HydrophobicContact CD1-CG1 3.93Å; Y130-V140 HydrophobicContact CE1-CB 4.43Å; Y130-V140 HydrophobicContact CE1-CG1 3.68Å; Y130-V140 HydrophobicContact CE1-CG2 4.14Å; F132-V140 HydrophobicContact CB-CG2 4.02Å; F132-V140 HydrophobicContact CD1-CG1 4.27Å; F132-V140 HydrophobicContact CD1-CG2 3.73Å; F132-V140 HydrophobicContact CD2-CG2 3.35Å; F132-V140 HydrophobicContact CE1-CG1 4.23Å; F132-V140 HydrophobicContact CE1-CG2 3.98Å; F132-V140 HydrophobicContact CE2-CG2 3.7Å; F132-V140 HydrophobicContact CG-CG2 3.41Å; F132-V140 VanDerWaalsContact CG-CG2 3.41Å; F132-V140 HydrophobicContact CZ-CG2 3.98Å; C136-V140 WeakPolarHBondContact O-CG2 3.27Å; S137-V140 PolarHBondContact O-N 3.4Å; V140-T142 PolarHBondContact O-N 3.46Å
141	P	70.6	Confident	67.3	Low	58 Å²	58	65.9 Å²	65.9	38%	0.377	35%	0.349	S	S	.	.			trans	-52.2	136.9	171.8	-26.3	35	0	0	0	111.5	H99 V143	H99-P141 PolarHBondContact CD2-O 3.3Å; P141-V143 VanDerWaalsContact C-N 3.28Å; P141-V143 PolarHBondContact O-N 2.96Å
142	T	64.3	Low	65	Low	86 Å²	86	70 Å²	70	53%	0.528	37%	0.368	S	S	.	.	S	Bend	trans	-73.1	-23.8	-176.4	45.3	0	0	0	0	112.9	M98 V140	M98-T142 VanDerWaalsContact CE-O 3.27Å; M98-T142 WeakPolarHBondContact CE-O 3.47Å; V140-T142 PolarHBondContact O-N 3.46Å
143	V	63	Low	62.3	Low	13 Å²	13	75 Å²	75	8%	0.079	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-117.1	139.8	-174.8	-172.6	0	0	0	0	109.4	G53 L96 M98 H99 P141 V145	G53-V143 WeakPolarHBondContact O-CG2 3.39Å; L96-V143 HydrophobicContact CB-CG1 4.42Å; L96-V143 HydrophobicContact CD2-CG1 3.69Å; L96-V143 HydrophobicContact CD2-CG2 4.25Å; M98-V143 HydrophobicContact SD-CG2 4.43Å; H99-V143 VanDerWaalsContact CD2-C 3.46Å; H99-V143 PolarHBondContact NE2-O 3.45Å; H99-V143 VanDerWaalsContact NE2-O 3.16Å; P141-V143 VanDerWaalsContact C-N 3.28Å; P141-V143 PolarHBondContact O-N 2.96Å; V143-V145 HydrophobicContact CB-CG2 3.48Å; V143-V145 VanDerWaalsContact CB-CG2 3.48Å; V143-V145 HydrophobicContact CG1-CG2 3.6Å; V143-V145 PolarHBondContact O-N 2.96Å
144	C	63.2	Low	59.6	Low	10 Å²	10	79.4 Å²	79.4	7%	0.068	41%	0.411	C	S	.	.			trans	-75.2	67.2	167.6	178.9	0	0	0	0	108.2	T97 C128	T97-C144 WeakPolarHBondContact O-CA 3.39Å; T97-C144 WeakPolarHBondContact O-CB 3.2Å; T97-C144 PolarHBondContact O-N 3.48Å; T97-C144 WeakPolarHBondContact OG1-CB 3.37Å; T97-C144 PolarHBondContact OG1-O 3.42Å; T97-C144 VanDerWaalsContact OG1-O 3.1Å; C128-C144 WeakPolarHBondContact CB-SG 3.15Å
145	V	53.6	Low	57.1	Low	49 Å²	49	81.1 Å²	81.1	30%	0.297	41%	0.414	S	S	.	.			trans	-75.4	127.5	179.7	-164	0	0	0	0	108.5	V143 M147	V143-V145 HydrophobicContact CB-CG2 3.48Å; V143-V145 VanDerWaalsContact CB-CG2 3.48Å; V143-V145 HydrophobicContact CG1-CG2 3.6Å; V143-V145 PolarHBondContact O-N 2.96Å; V145-M147 HydrophobicContact CB-CE 3.98Å; V145-M147 HydrophobicContact CB-CG 4.38Å; V145-M147 HydrophobicContact CG1-CE 4.14Å; V145-M147 HydrophobicContact CG2-CE 4.09Å; V145-M147 PolarHBondContact O-N 2.93Å
146	D	47.9	Very low	54.5	Low	76 Å²	76	81.1 Å²	81.1	41%	0.406	41%	0.414	S	S	.	.			trans	-65.2	94	153.6	-162.7	17.3	0	0	0	106.1	S148 R543	D146-S148 VanDerWaalsContact CG-OG 3.29Å; D146-S148 PolarHBondContact O-N 3.33Å; D146-S148 PolarHBondContact OD1-OG 3.33Å; D146-R543 WeakPolarHBondContact OD1-CD 3.39Å; D146-R543 IonicContact OD1-NH1 2.84Å; D146-R543 IonicContact OD2-NH1 3.25Å; D146-R543 PolarHBondContact OD2-NH1 2.8Å
147	M	39.8	Very low	51.7	Low	129 Å²	129	84.1 Å²	84.1	64%	0.635	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	11	-169.3	-99.1	-68.6	154.3	0	0	114.9	V145	V145-M147 HydrophobicContact CB-CE 3.98Å; V145-M147 HydrophobicContact CB-CG 4.38Å; V145-M147 HydrophobicContact CG1-CE 4.14Å; V145-M147 HydrophobicContact CG2-CE 4.09Å; V145-M147 PolarHBondContact O-N 2.93Å
148	S	40.6	Very low	49.3	Very low	26 Å²	26	85.1 Å²	85.1	18%	0.182	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-19	-173.7	32.8	0	0	0	0	115.7	D146	D146-S148 VanDerWaalsContact CG-OG 3.29Å; D146-S148 PolarHBondContact O-N 3.33Å; D146-S148 PolarHBondContact OD1-OG 3.33Å
149	T	40.5	Very low	47.2	Very low	82 Å²	82	87 Å²	87	50%	0.503	44%	0.435	S	S	.	.	S	Bend	trans	-99.8	-27.8	-168.8	-31.9	0	0	0	0	115
150	N	36.6	Very low	44.9	Very low	68 Å²	68	87.6 Å²	87.6	36%	0.364	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.5	-159.8	-143.9	0.1	0	0	0	116.4
151	R	37.6	Very low	43	Very low	177 Å²	177	94.2 Å²	94.2	67%	0.668	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-17.4	-179	-145.7	177.5	164.3	-146.3	-8	113.8
152	Q	40.4	Very low	41.2	Very low	93 Å²	93	95.8 Å²	95.8	44%	0.435	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-29.3	177.8	-78.8	-179.6	-12.2	0	0	113.5	F154 Y155	Q152-F154 VanDerWaalsContact C-N 3.26Å; Q152-F154 PolarHBondContact O-N 3.43Å; Q152-Y155 PolarHBondContact O-N 3.44Å
153	Q	34.7	Very low	39.6	Very low	116 Å²	116	95.7 Å²	95.7	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-68.3	-26.6	177.9	-74.9	-179.7	-17.8	0	0	112.9	Y155 S157	Q153-Y155 VanDerWaalsContact C-N 3.34Å; Q153-Y155 PolarHBondContact O-N 3.16Å; Q153-S157 PolarHBondContact O-N 2.93Å
154	F	34.2	Very low	37.8	Very low	114 Å²	114	98.3 Å²	98.3	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-71.4	-23.8	-178.5	-138.3	-90.4	0	0	0	114.2	D57 Q152 V158	D57-F154 HydrophobicContact CB-CE2 4.35Å; Q152-F154 VanDerWaalsContact C-N 3.26Å; Q152-F154 PolarHBondContact O-N 3.43Å; F154-V158 WeakPolarHBondContact O-CG2 3.19Å
155	Y	36	Very low	36.3	Very low	150 Å²	150	103.8 Å²	103.8	59%	0.588	58%	0.575	S	S	*	*	H	α-helix	trans	-92.5	-26.9	176.9	-84.5	-78.9	0	0	0	113.1	Q152 Q153	Q152-Y155 PolarHBondContact O-N 3.44Å; Q153-Y155 VanDerWaalsContact C-N 3.34Å; Q153-Y155 PolarHBondContact O-N 3.16Å
156	H	34.3	Very low	35	Very low	131 Å²	131	113.2 Å²	113.2	61%	0.606	61%	0.605	S	S	*	*	H	α-helix	trans	-77.1	-36.4	176.1	-88.4	-69.4	0	0	0	112.7	V158 Q159	H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3Å; H156-Q159 PolarHBondContact O-N 3.3Å
157	S	29.3	Very low	34.1	Very low	68 Å²	68	118.5 Å²	118.5	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-73.9	-18.2	-176.6	90.1	0	0	0	0	114.5	Q153	Q153-S157 PolarHBondContact O-N 2.93Å
158	V	35.1	Very low	33.4	Very low	88 Å²	88	120.3 Å²	120.3	53%	0.533	63%	0.634	S	S	.	*	H	α-helix	trans	-84.7	-23.8	-179.6	-176.4	0	0	0	0	111.7	F154 H156 S162	F154-V158 WeakPolarHBondContact O-CG2 3.19Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3Å; V158-S162 PolarHBondContact O-OG 2.84Å
159	Q	34.5	Very low	32.6	Very low	143 Å²	143	127 Å²	127	67%	0.668	66%	0.663	S	S	*	*	H	α-helix	trans	-78.4	-32.3	175.9	-77.9	179.3	-9.3	0	0	112.7	H156 L161	H156-Q159 PolarHBondContact O-N 3.3Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.03Å
160	D	31.2	Very low	31.8	Very low	144 Å²	144	127.7 Å²	127.7	77%	0.77	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-11	-178.8	-76.8	-24.6	0	0	0	114.4
161	L	36	Very low	31.3	Very low	157 Å²	157	130.9 Å²	130.9	82%	0.822	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-2.3	178.1	-72.7	166	0	0	0	114.1	Q159	Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.03Å
162	S	31.9	Very low	30.6	Very low	91 Å²	91	126.9 Å²	126.9	64%	0.636	70%	0.7	S	S	*	*			trans	-118.2	46.8	175.6	41.1	0	0	0	0	112.1	V158 G164	V158-S162 PolarHBondContact O-OG 2.84Å; S162-G164 PolarHBondContact O-N 3.16Å; S162-G164 VanDerWaalsContact O-N 3.11Å
163	G	30.5	Very low	29.8	Very low	85 Å²	85	129.1 Å²	129.1	88%	0.876	72%	0.715	S	S	*	*			trans	-74.1	86.8	162.5	0	0	0	0	0	111
164	G	26.7	Very low	29.2	Very low	67 Å²	67	134.2 Å²	134.2	69%	0.691	73%	0.729	S	S	*	*			trans	-150.6	91.4	173.4	0	0	0	0	0	111	S162 R166	S162-G164 PolarHBondContact O-N 3.16Å; S162-G164 VanDerWaalsContact O-N 3.11Å; G164-R166 PolarHBondContact O-N 3.21Å
165	S	31.5	Very low	29.2	Very low	126 Å²	126	134 Å²	134	88%	0.881	74%	0.739	S	S	*	*			trans	-44.2	124.5	172.3	-70.3	0	0	0	0	112.5
166	R	26.6	Very low	28.6	Very low	246 Å²	246	134.8 Å²	134.8	93%	0.928	75%	0.753	S	S	*	*			trans	-151.7	112.4	149.7	-100.9	169.2	-163.6	-158.4	1.8	109.9	G164	G164-R166 PolarHBondContact O-N 3.21Å
167	Q	28.2	Very low	28.1	Very low	187 Å²	187	134.6 Å²	134.6	87%	0.874	76%	0.757	S	S	*	*			trans	-59.4	139.5	161.3	-64.7	170.8	-15.8	0	0	108.8
168	H	26	Very low	27.9	Very low	168 Å²	168	138.6 Å²	138.6	78%	0.778	77%	0.768	S	S	*	*			trans	-170.8	111.6	143.7	-103.6	-73.6	0	0	0	111.3
169	E	22.8	Very low	27.3	Very low	166 Å²	166	140.3 Å²	140.3	78%	0.776	77%	0.773	S	S	*	*			trans	34.2	127.8	134.8	-67.1	170.3	134.1	0	0	122
170	A	24.1	Very low	26.7	Very low	97 Å²	97	141.9 Å²	141.9	80%	0.802	79%	0.785	S	S	*	*			trans	-75.8	160.9	160	0	0	0	0	0	112
171	P	26.6	Very low	26.4	Very low	134 Å²	134	140.6 Å²	140.6	87%	0.87	78%	0.783	S	S	*	*			trans	-127.6	148	141	26.4	-9.6	0	0	0	113.4
172	S	21.2	Very low	26.3	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	78%	0.778	S	S	*	*			trans	-109.9	147.2	-179.2	113.8	0	0	0	0	110.7
173	N	24	Very low	25.8	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	79%	0.791	S	S	*	*			trans	60.7	146.7	152.6	-65.3	-29.3	0	0	0	118.4
174	R	23.6	Very low	25.4	Very low	223 Å²	223	142.3 Å²	142.3	84%	0.842	78%	0.781	S	S	*	*			cis	-172.9	-158.7	-3.5	-108.1	-173.2	177.1	-164.2	0.5	105.6
175	P	33.3	Very low	25.6	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	79%	0.785	S	S	*	*				-126.6	173.2	-93.9	37.6	-15.7	0	0	0	115.8
176	L	22.8	Very low	25.3	Very low	167 Å²	167	150 Å²	150	87%	0.874	79%	0.785	S	S	*	*			trans	-175.8	105.8	148.4	-131.6	76.5	0	0	0	110.1
177	N	25.1	Very low	25.5	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	77%	0.774	S	S	*	*				55.2	110.8	99.7	-99.2	31.1	0	0	0	116.8
178	E	24.2	Very low	25.3	Very low	151 Å²	151	143.6 Å²	143.6	71%	0.706	77%	0.774	S	S	*	*				81	140.8	94.1	-82.9	-165.7	144.5	0	0	112.3
179	L	22.9	Very low	25.4	Very low	124 Å²	124	141.8 Å²	141.8	65%	0.649	78%	0.775	S	S	*	*			cis	-170	161.1	13.3	-104.3	155.8	0	0	0	106.6
180	L	22.5	Very low	25.6	Very low	176 Å²	176	143 Å²	143	92%	0.921	78%	0.781	S	S	*	*			trans	179.4	107.3	135.5	-93.3	163.9	0	0	0	110.9
181	T	24.5	Very low	25.6	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.724	78%	0.784	S	S	*	*			trans	-106.9	177.7	156.7	29.3	0	0	0	0	108
182	P	33	Very low	25.5	Very low	111 Å²	111	147 Å²	147	72%	0.721	78%	0.784	S	S	*	*			cis	-140	-179.9	5.2	34.1	-11.5	0	0	0	115.3
183	Q	21.8	Very low	25.6	Very low	193 Å²	193	149.4 Å²	149.4	90%	0.902	79%	0.789	S	S	*	*				177.2	136.6	123.8	-93.5	-171.2	25	0	0	113.3
184	G	22.1	Very low	26	Very low	65 Å²	65	147.6 Å²	147.6	67%	0.67	79%	0.785	S	S	*	*			trans	-112	-164.2	155	0	0	0	0	0	109.4
185	P	31.6	Very low	26.2	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	78%	0.782	S	S	*	*			cis	-144	168	9.6	41.7	-21.6	0	0	0	118.4
186	R	23.8	Very low	25.8	Very low	237 Å²	237	147.7 Å²	147.7	89%	0.894	79%	0.785	S	S	*	*			trans	76	170.5	138.3	-86.3	-172.9	-170	-166.1	5.4	120.7
187	P	31.6	Very low	26	Very low	107 Å²	107	149.3 Å²	149.3	70%	0.695	79%	0.786	S	S	*	*				-129.1	161.4	-94.1	29.7	-5.2	0	0	0	114.6
188	H	24.8	Very low	26.1	Very low	190 Å²	190	148.9 Å²	148.9	88%	0.88	79%	0.79	S	S	*	*			trans	-141.9	118.8	163	-94.3	-66	0	0	0	112.8
189	T	26.5	Very low	26.2	Very low	130 Å²	130	151.3 Å²	151.3	80%	0.798	80%	0.799	S	S	*	*			trans	-69.4	129.3	162.7	34.7	0	0	0	0	111
190	Q	27.3	Very low	26.7	Very low	192 Å²	192	151 Å²	151	90%	0.897	80%	0.804	S	S	*	*			trans	-145.1	135.6	150.1	-74.4	-165.3	-6.5	0	0	112.1
191	H	24.5	Very low	27.1	Very low	187 Å²	187	147.5 Å²	147.5	87%	0.866	80%	0.8	S	S	*	*			trans	-50.8	150.7	171.4	-93.6	-110.2	0	0	0	113.4
192	C	23.9	Very low	27.6	Very low	128 Å²	128	147.8 Å²	147.8	87%	0.865	80%	0.804	S	S	*	*			trans	-136.3	109.3	163.6	-151.5	0	0	0	0	109.3
193	D	24.9	Very low	27.6	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	81%	0.809	S	S	*	*			trans	-91.8	159.2	163	-97	-37.6	0	0	0	109.8
194	P	32.2	Very low	28.2	Very low	102 Å²	102	146.4 Å²	146.4	66%	0.662	81%	0.811	S	S	*	*			trans	-108	121.6	-159.4	34.8	-22.7	0	0	0	112.6
195	E	27	Very low	28.7	Very low	165 Å²	165	147 Å²	147	77%	0.771	81%	0.809	S	S	*	*			trans	-156.5	133	160.1	-84.9	-57.7	128.8	0	0	111.5
196	H	25.8	Very low	28.8	Very low	168 Å²	168	147.9 Å²	147.9	78%	0.778	82%	0.815	S	S	*	*			trans	64.1	104.1	154	-81.9	62	0	0	0	121.2
197	F	26.9	Very low	29.3	Very low	201 Å²	201	144 Å²	144	88%	0.882	81%	0.811	S	S	*	*			trans	-120.3	128.1	152.8	-95.3	-87.1	0	0	0	110.1
198	P	27.2	Very low	29.7	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.9	138.5	179.3	32.4	-30.7	0	0	0	111.1
199	F	26.2	Very low	30.6	Very low	203 Å²	203	150.2 Å²	150.2	89%	0.89	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.9	134.7	172.2	-83	-87.5	0	0	0	111
200	P	31.8	Very low	31.8	Very low	118 Å²	118	151 Å²	151	77%	0.766	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.8	133.5	162.1	27.8	-23	0	0	0	110.3
201	A	31	Very low	32.9	Very low	101 Å²	101	153 Å²	153	84%	0.835	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.3	137.2	177.5	0	0	0	0	0	111.7
202	P	36.7	Very low	34.1	Very low	125 Å²	125	149.7 Å²	149.7	81%	0.812	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-97.8	141.3	166.5	27.6	-16.1	0	0	0	112.2
203	A	32.4	Very low	35.7	Very low	100 Å²	100	148.9 Å²	148.9	83%	0.826	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-62	153.3	173.5	0	0	0	0	0	113	A205	A203-A205 PolarHBondContact O-N 3.44Å
204	N	34.8	Very low	37.5	Very low	175 Å²	175	147 Å²	147	94%	0.936	81%	0.805	S	S	*	*			trans	-48.1	115.6	-175.8	-73.7	-30.4	0	0	0	115.3
205	A	32.3	Very low	38.7	Very low	76 Å²	76	148.2 Å²	148.2	63%	0.628	81%	0.811	S	S	*	*			trans	-144.2	139.7	151.8	0	0	0	0	0	108.5	A203 L207	A203-A205 PolarHBondContact O-N 3.44Å; A205-L207 VanDerWaalsContact C-N 3.33Å; A205-L207 PolarHBondContact O-N 2.81Å
206	P	33.8	Very low	40.6	Very low	137 Å²	137	143.9 Å²	143.9	89%	0.89	80%	0.797	S	S	*	*			trans	-76.9	85.6	-174.9	31.5	-32	0	0	0	109.9	Q208	P206-Q208 PolarHBondContact O-N 3.09Å
207	L	34.3	Very low	42.7	Very low	157 Å²	157	141.7 Å²	141.7	82%	0.822	79%	0.791	S	S	*	*			trans	-70.9	115.1	164.6	-73.2	169.8	0	0	0	108	A205 R209	A205-L207 VanDerWaalsContact C-N 3.33Å; A205-L207 PolarHBondContact O-N 2.81Å; L207-R209 VanDerWaalsContact C-N 3.28Å; L207-R209 PolarHBondContact O-N 2.9Å
208	Q	39.5	Very low	44.5	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	79%	0.787	S	S	*	*			trans	-58.6	96.4	163.6	-75.5	-173.5	-12.4	0	0	108.1	P206 I210	P206-Q208 PolarHBondContact O-N 3.09Å; Q208-I210 PolarHBondContact O-N 3.12Å; Q208-I210 VanDerWaalsContact O-N 3.07Å
209	R	43.5	Very low	45.7	Very low	241 Å²	241	139 Å²	139	91%	0.909	78%	0.779	S	S	*	*			trans	-63.9	109.4	178.4	-151.4	179.2	-154.7	168	5.7	107.8	L207 R211	L207-R209 VanDerWaalsContact C-N 3.28Å; L207-R209 PolarHBondContact O-N 2.9Å; R209-R211 PolarHBondContact O-N 2.83Å
210	I	51.7	Low	46	Very low	147 Å²	147	137.9 Å²	137.9	75%	0.754	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-59.9	125.8	179.1	-60.3	169.7	0	0	0	107.9	Q208 S212	Q208-I210 PolarHBondContact O-N 3.12Å; Q208-I210 VanDerWaalsContact O-N 3.07Å; I210-S212 PolarHBondContact O-N 2.72Å
211	R	50.4	Low	46.2	Very low	234 Å²	234	138.2 Å²	138.2	88%	0.883	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.2	125.2	170	-71.4	-176.8	-179.2	172	-0	108.5	R209	R209-R211 PolarHBondContact O-N 2.83Å
212	S	50.4	Low	46.1	Very low	118 Å²	118	138.1 Å²	138.1	83%	0.825	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-54.2	141.2	168	-54	0	0	0	0	109.9	I210 S214	I210-S212 PolarHBondContact O-N 2.72Å; S212-S214 PolarHBondContact O-N 2.99Å
213	T	56.6	Low	45.8	Very low	110 Å²	110	138.9 Å²	138.9	68%	0.675	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.1	122.4	-178.8	50.3	0	0	0	0	110.3	F118	F118-T213 HydrophobicContact CD1-CG2 3.93Å
214	S	62.9	Low	45.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-73.1	170.2	169.3	55.6	0	0	0	0	111.5	S212	S212-S214 PolarHBondContact O-N 2.99Å
215	T	58.1	Low	45.5	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-53.4	128.4	177.3	-45.8	0	0	0	0	111.5
216	P	66.6	Low	45.5	Very low	74 Å²	74	137.2 Å²	137.2	48%	0.481	76%	0.763	S	S	.	*	P	Polyproline II helix	trans	-74.2	168.1	176.6	30.9	-34.5	0	0	0	112.2
217	N	70.1	Confident	45.4	Very low	123 Å²	123	139 Å²	139	66%	0.658	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-61	137.4	177.6	-66.1	-24.7	0	0	0	111.9
218	V	63.8	Low	45.1	Very low	129 Å²	129	139 Å²	139	78%	0.782	76%	0.762	S	S	*	*			trans	-93.1	114	173.2	-178.3	0	0	0	0	108.8
219	H	52	Low	44.7	Very low	133 Å²	133	135.9 Å²	135.9	62%	0.616	76%	0.761	S	S	*	*			trans	-98	117.9	171.2	-79.6	-75.3	0	0	0	109.7
220	M	34.4	Very low	44.1	Very low	180 Å²	180	131.9 Å²	131.9	89%	0.887	76%	0.758	S	S	*	*			trans	-84.4	115.2	166.6	-64.3	-159	-63.8	0	0	108.7
221	V	35.2	Very low	43.3	Very low	126 Å²	126	132.6 Å²	132.6	76%	0.764	76%	0.762	S	S	*	*			trans	-98.6	100.5	169.8	-177.2	0	0	0	0	106.7	T223	V221-T223 PolarHBondContact O-N 3.24Å
222	S	27.7	Very low	42.4	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	76%	0.763	S	S	*	*			trans	-66.9	124.5	169.9	-91.4	0	0	0	0	109.3	T224	S222-T224 PolarHBondContact O-N 2.98Å
223	T	31.4	Very low	41.7	Very low	140 Å²	140	132.9 Å²	132.9	86%	0.859	76%	0.764	S	S	*	*			trans	-81.5	8.2	174.5	46.3	0	0	0	0	113.4	V221	V221-T223 PolarHBondContact O-N 3.24Å
224	T	30.1	Very low	40.3	Very low	109 Å²	109	135.9 Å²	135.9	67%	0.669	78%	0.775	S	S	*	*			trans	-90.3	113.7	173.1	47.6	0	0	0	0	109.4	S222	S222-T224 PolarHBondContact O-N 2.98Å
225	A	31.3	Very low	38.7	Very low	74 Å²	74	138.2 Å²	138.2	61%	0.612	79%	0.785	S	S	*	*			trans	-52.2	145.9	159.4	0	0	0	0	0	108.8	M227	A225-M227 PolarHBondContact O-N 3Å
226	P	32.8	Very low	37.1	Very low	134 Å²	134	135.4 Å²	135.4	87%	0.87	78%	0.782	S	S	*	*			trans	-63.7	103.1	173.5	26.2	-30.1	0	0	0	107.7	D228	P226-D228 PolarHBondContact O-N 3.11Å
227	M	29.8	Very low	35.3	Very low	174 Å²	174	140.9 Å²	140.9	86%	0.857	80%	0.801	S	S	*	*			trans	-67.7	126.8	165	-71.2	-90.6	173.2	0	0	106.5	A225 S229	A225-M227 PolarHBondContact O-N 3Å; M227-S229 PolarHBondContact O-N 3.35Å
228	D	29.6	Very low	33.2	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	81%	0.806	S	S	*	*			trans	-51.2	122.5	173.8	-81.4	-46.6	0	0	0	110	P226 N230	P226-D228 PolarHBondContact O-N 3.11Å; D228-N230 PolarHBondContact O-N 3Å
229	S	30.8	Very low	31.4	Very low	119 Å²	119	144 Å²	144	83%	0.832	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	32.9	-174.5	-165	0	0	0	0	113.7	M227	M227-S229 PolarHBondContact O-N 3.35Å
230	N	31.3	Very low	30.1	Very low	158 Å²	158	143 Å²	143	85%	0.845	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	20.8	-176.1	-85.6	-6	0	0	0	114.8	D228	D228-N230 PolarHBondContact O-N 3Å
231	L	33.3	Very low	29.7	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	81%	0.813	S	S	*	*			trans	-132.2	54	171.6	-158.5	75.9	0	0	0	113.1
232	I	33.2	Very low	29.4	Very low	175 Å²	175	141.4 Å²	141.4	90%	0.897	82%	0.816	S	S	*	*			trans	-140.4	73.5	153.7	-51.5	-179.6	0	0	0	108.2
233	Q	34	Very low	29.3	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	82%	0.817	S	S	*	*			trans	-153.3	77.2	160.1	-166.2	164.6	6.2	0	0	109.8
234	L	28.7	Very low	29.1	Very low	173 Å²	173	138.6 Å²	138.6	91%	0.906	81%	0.813	S	S	*	*			trans	-177.4	77.3	154.8	-101.8	145.6	0	0	0	110.3
235	T	29.1	Very low	29.1	Very low	152 Å²	152	138.3 Å²	138.3	93%	0.933	82%	0.815	S	S	*	*			trans	-164.7	77.3	140.1	16.1	0	0	0	0	107.1
236	G	24.1	Very low	29	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	82%	0.82	S	S	*	*			trans	-94.7	135.3	161.7	0	0	0	0	0	109.1
237	Q	28.1	Very low	28.9	Very low	188 Å²	188	144.4 Å²	144.4	88%	0.879	82%	0.82	S	S	*	*			trans	127.9	99.4	133.4	-69.6	-175.7	3.8	0	0	114.6
238	S	26	Very low	28.8	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	82%	0.821	S	S	*	*	S	Bend	trans	172.9	128.3	132.6	16.9	0	0	0	0	107
239	F	26.6	Very low	28.7	Very low	209 Å²	209	136.8 Å²	136.8	92%	0.917	82%	0.823	S	S	*	*			cis	-150.6	149.5	3.3	-95.7	-85.4	0	0	0	107.9
240	S	25.1	Very low	28.6	Very low	112 Å²	112	135 Å²	135	78%	0.783	82%	0.824	S	S	*	*			trans	-87.5	156.7	179.6	-50.2	0	0	0	0	113.3
241	T	26.3	Very low	28.5	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	83%	0.83	S	S	*	*			trans	-168.3	109.1	135.9	40.6	0	0	0	0	108.1
242	D	27.4	Very low	28.3	Very low	154 Å²	154	132 Å²	132	82%	0.824	83%	0.827	S	S	*	*				92.2	134.7	104.8	-71.3	-26.1	0	0	0	112
243	A	26.5	Very low	28.3	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	83%	0.825	S	S	*	*			cis	-159.5	154.2	11.9	0	0	0	0	0	111.1
244	A	27.8	Very low	28.8	Very low	92 Å²	92	126.9 Å²	126.9	76%	0.76	82%	0.819	S	S	*	*			trans	36.3	137.7	135.9	0	0	0	0	0	119.8
245	S	28.6	Very low	28.8	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	82%	0.822	S	S	*	*			cis	178.9	151.9	27.7	26.5	0	0	0	0	111
246	S	30	Very low	28.7	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	81%	0.814	S	S	*	*			trans	59.3	143	139.5	-64.5	0	0	0	0	120.5
247	R	29.9	Very low	29	Very low	235 Å²	235	129.5 Å²	129.5	89%	0.887	82%	0.819	S	S	*	*			cis	-175.4	146.6	0.7	-109.3	173.6	178.2	-171.7	-1.7	107.5
248	G	28.1	Very low	29.7	Very low	85 Å²	85	126.5 Å²	126.5	88%	0.876	82%	0.816	S	S	*	*			trans	64.8	141.2	152	0	0	0	0	0	118.1
249	G	27.9	Very low	29.8	Very low	85 Å²	85	126.5 Å²	126.5	88%	0.876	82%	0.816	S	S	*	*			cis	130.7	126.9	13.9	0	0	0	0	0	108.6
250	G	29.3	Very low	30.5	Very low	83 Å²	83	122.5 Å²	122.5	86%	0.856	81%	0.811	S	S	*	*			trans	125.1	105.6	160.3	0	0	0	0	0	117.3
251	D	28.2	Very low	30.6	Very low	180 Å²	180	121.2 Å²	121.2	96%	0.963	81%	0.807	S	S	*	*			trans	-16	151.8	155.2	-83.5	-40.3	0	0	0	121.2
252	G	29.1	Very low	30.7	Very low	77 Å²	77	120.6 Å²	120.6	79%	0.794	81%	0.808	S	S	*	*			trans	146.8	92.3	147	0	0	0	0	0	117.2
253	T	33	Very low	30.9	Very low	138 Å²	138	120.2 Å²	120.2	85%	0.847	81%	0.811	S	S	*	*			trans	-83.7	177.1	159.6	50.1	0	0	0	0	111.4
254	P	45.7	Very low	31	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	81%	0.809	S	S	*	*				-136.7	160.5	-53.2	38.1	-22.3	0	0	0	112.6
255	R	27.8	Very low	31.1	Very low	256 Å²	256	122 Å²	122	97%	0.966	81%	0.813	S	S	*	*			trans	174	144.1	141.4	-110.4	174.8	168.5	-152.5	-2.3	113.4
256	G	27.7	Very low	31.1	Very low	75 Å²	75	120.5 Å²	120.5	77%	0.773	81%	0.812	S	S	*	*			trans	117.5	94.2	143.9	0	0	0	0	0	117
257	S	30.8	Very low	31.1	Very low	118 Å²	118	127.4 Å²	127.4	83%	0.825	82%	0.823	S	S	*	*			trans	-65.2	161.9	152.5	-37.1	0	0	0	0	109.6
258	P	42.3	Very low	31	Very low	125 Å²	125	125.9 Å²	125.9	81%	0.812	82%	0.823	S	S	*	*			cis	-143.8	169.3	44.3	34.1	-10.6	0	0	0	117.8
259	S	28.5	Very low	31.2	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	82%	0.819	S	S	*	*			trans	-48.6	171.1	166	-44.1	0	0	0	0	113.8
260	P	40.6	Very low	31.9	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	81%	0.812	S	S	*	*			cis	-154.9	-173.9	39.7	40.7	-16.2	0	0	0	119.1
261	A	27.5	Very low	31.8	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	81%	0.812	S	S	*	*			trans	98.5	103.6	148.5	0	0	0	0	0	120.6
262	S	29	Very low	31.9	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	81%	0.805	S	S	*	*			trans	6.3	131	131.4	56.6	0	0	0	0	120.2
263	V	31.1	Very low	31.9	Very low	146 Å²	146	135.9 Å²	135.9	89%	0.885	81%	0.807	S	S	*	*				-154.4	135.2	125.5	-153.7	0	0	0	0	111
264	S	28.1	Very low	31.6	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	81%	0.805	S	S	*	*			trans	-77.9	151.5	169.1	50.1	0	0	0	0	113.5
265	S	30.7	Very low	31.2	Very low	119 Å²	119	135.7 Å²	135.7	83%	0.832	81%	0.81	S	S	*	*				163.2	136.3	122	-75.5	0	0	0	0	111.8
266	G	27	Very low	31.2	Very low	69 Å²	69	128 Å²	128	71%	0.711	80%	0.801	S	S	*	*			trans	-97.7	166.7	171.9	0	0	0	0	0	113.6
267	R	30.5	Very low	31.3	Very low	248 Å²	248	134 Å²	134	94%	0.936	81%	0.81	S	S	*	*			trans	177.1	128	133.1	-101.9	173.5	179.2	-170	0.3	112.1
268	K	29.2	Very low	31.2	Very low	202 Å²	202	137.6 Å²	137.6	88%	0.878	81%	0.813	S	S	*	*			trans	13.6	134.4	144.3	-61.7	179.1	175.7	-178.1	0	121.4
269	S	30.8	Very low	30.6	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	82%	0.82	S	S	*	*			trans	-25.5	170.6	153.9	-52.2	0	0	0	0	117.8
270	P	42.4	Very low	30.7	Very low	110 Å²	110	147.2 Å²	147.2	71%	0.714	83%	0.825	S	S	*	*			cis	-158.2	176.8	35.2	41.9	-17.6	0	0	0	121.7
271	H	28.5	Very low	30.3	Very low	186 Å²	186	152.7 Å²	152.7	86%	0.861	83%	0.829	S	S	*	*			trans	66.1	126.7	145.6	-83.3	-59.5	0	0	0	125.2
272	S	29.9	Very low	30.3	Very low	116 Å²	116	158.5 Å²	158.5	81%	0.811	84%	0.838	S	S	*	*			trans	-154.9	116.9	138.9	54	0	0	0	0	107.9
273	K	28.6	Very low	30.3	Very low	194 Å²	194	158.2 Å²	158.2	84%	0.843	84%	0.836	S	S	*	*				79.8	95.5	68.6	-80.1	-168.1	178.6	-179.6	0	116.4
274	S	26.6	Very low	30.3	Very low	115 Å²	115	159.3 Å²	159.3	80%	0.804	84%	0.837	S	S	*	*				67.9	160.5	127.1	-62.2	0	0	0	0	120.9
275	P	37.4	Very low	30.7	Very low	130 Å²	130	158.9 Å²	158.9	84%	0.844	84%	0.839	S	S	*	*			cis	-136.7	174.4	21.7	35.6	-13.2	0	0	0	118.6
276	A	27.6	Very low	31	Very low	94 Å²	94	160.4 Å²	160.4	78%	0.777	84%	0.838	S	S	*	*			trans	-98.9	153.4	-176.8	0	0	0	0	0	112.7
277	E	29.5	Very low	31.5	Very low	203 Å²	203	164.1 Å²	164.1	95%	0.949	84%	0.841	S	S	*	*			trans	-121.2	129.8	157.2	-79.6	-171.9	132	0	0	109.9
278	Q	29	Very low	31.8	Very low	192 Å²	192	161.9 Å²	161.9	90%	0.897	84%	0.838	S	S	*	*			trans	-89.6	137.9	171.9	-77.9	173.6	-47.6	0	0	109.9
279	R	30.3	Very low	32.3	Very low	250 Å²	250	161.6 Å²	161.6	94%	0.943	84%	0.837	S	S	*	*			trans	-144.5	120.6	152.7	-152.3	172.4	-176.5	-179.2	1.2	111
280	E	30.6	Very low	32.7	Very low	187 Å²	187	165.6 Å²	165.6	87%	0.874	84%	0.84	S	S	*	*			trans	-75.9	129	178.4	-79.3	-178.8	117.6	0	0	113.3
281	R	31.5	Very low	32.4	Very low	238 Å²	238	166.8 Å²	166.8	90%	0.898	85%	0.845	S	S	*	*			trans	39.7	118.8	131.1	-144.3	172.7	-164.4	174.2	2.9	120.6
282	K	28.2	Very low	33	Very low	208 Å²	208	166.7 Å²	166.7	90%	0.904	84%	0.842	S	S	*	*			trans	-157.4	142	130.2	-106.5	169.4	-173.3	-179.4	0	111.3
283	S	30.1	Very low	33.3	Very low	101 Å²	101	168.9 Å²	168.9	71%	0.706	85%	0.845	S	S	*	*			trans	-67.6	154.3	-171.3	50.5	0	0	0	0	115.4
284	L	29.6	Very low	33.9	Very low	170 Å²	170	165.7 Å²	165.7	89%	0.89	84%	0.836	S	S	*	*				-176.4	150.1	116	-89.9	159	0	0	0	111.5
285	A	37.8	Very low	34.5	Very low	89 Å²	89	162.8 Å²	162.8	74%	0.736	82%	0.824	S	S	*	*			trans	-22.6	139.8	-177	0	0	0	0	0	120.5
286	D	35.2	Very low	35	Very low	152 Å²	152	167.3 Å²	167.3	81%	0.813	83%	0.826	S	S	*	*				-170.2	148	106.7	-129.6	-35.2	0	0	0	114.8
287	D	38.2	Very low	35.7	Very low	146 Å²	146	172.7 Å²	172.7	78%	0.781	83%	0.826	S	S	*	*			trans	39.5	94.9	159.9	-109.1	-47.5	0	0	0	122.8	K289	D287-K289 PolarHBondContact O-N 3.38Å; D287-K289 VanDerWaalsContact O-N 3.16Å
288	K	36.3	Very low	36.4	Very low	201 Å²	201	168.5 Å²	168.5	87%	0.874	81%	0.811	S	S	*	*			trans	-84.5	82	169.5	-138.8	178.3	-166.7	175.4	0	110.3	K290	K288-K290 PolarHBondContact O-N 3.19Å
289	K	41.6	Very low	37.7	Very low	196 Å²	196	162.5 Å²	162.5	85%	0.852	79%	0.79	S	S	*	*			trans	-62.2	102.4	162.1	-144.5	172.2	-168.4	170.9	0	107.6	D287 V291	D287-K289 PolarHBondContact O-N 3.38Å; D287-K289 VanDerWaalsContact O-N 3.16Å; K289-V291 PolarHBondContact O-N 2.95Å
290	K	37.1	Very low	38.7	Very low	199 Å²	199	151.2 Å²	151.2	87%	0.865	75%	0.751	S	S	*	*			trans	-53.3	96.1	173.8	-98.1	178.1	172.9	173.8	0	109.1	K288 K292	K288-K290 PolarHBondContact O-N 3.19Å; K290-K292 VanDerWaalsContact C-N 3.28Å; K290-K292 PolarHBondContact O-N 3.43Å
291	V	37.3	Very low	39.7	Very low	136 Å²	136	151.9 Å²	151.9	82%	0.824	75%	0.747	S	S	*	*			trans	-64.2	100.7	154.5	179.5	0	0	0	0	104.6	K289 N293	K289-V291 PolarHBondContact O-N 2.95Å; V291-N293 PolarHBondContact O-N 2.92Å
292	K	40.5	Very low	41.4	Very low	184 Å²	184	149.8 Å²	149.8	80%	0.8	74%	0.741	S	S	*	*			trans	-53.4	116.4	167.3	-79.3	179.7	176.4	177	0	105.7	K290 L294	K290-K292 VanDerWaalsContact C-N 3.28Å; K290-K292 PolarHBondContact O-N 3.43Å; K292-L294 VanDerWaalsContact C-N 3.3Å; K292-L294 PolarHBondContact O-N 2.98Å
293	N	36.5	Very low	44.1	Very low	161 Å²	161	143 Å²	143	86%	0.861	71%	0.709	S	S	*	*			trans	-48.5	103.9	161	-100.6	-12.4	0	0	0	106.4	V291 G295	V291-N293 PolarHBondContact O-N 2.92Å; N293-G295 PolarHBondContact O-N 3.24Å
294	L	41.6	Very low	47	Very low	127 Å²	127	140.4 Å²	140.4	67%	0.665	69%	0.686	S	S	*	*			trans	-64.8	88.1	164.4	-89.7	145.7	0	0	0	104.7	K292 Y296 R297	K292-L294 VanDerWaalsContact C-N 3.3Å; K292-L294 PolarHBondContact O-N 2.98Å; L294-Y296 PolarHBondContact O-N 3.21Å; L294-R297 VanDerWaalsContact CD2-CZ 3.46Å; L294-R297 VanDerWaalsContact CD2-NE 3.34Å
295	G	39	Very low	50	Low	54 Å²	54	132.7 Å²	132.7	56%	0.557	65%	0.646	S	S	*	*			trans	-47.3	140.6	170.1	0	0	0	0	0	108.6	N293 R297	N293-G295 PolarHBondContact O-N 3.24Å; G295-R297 PolarHBondContact O-N 2.95Å
296	Y	47	Very low	52.6	Low	226 Å²	226	131 Å²	131	89%	0.886	63%	0.628	S	S	*	*			trans	-28.7	97.7	170.6	-172.4	-97.9	0	0	0	111	L294 D298	L294-Y296 PolarHBondContact O-N 3.21Å; Y296-D298 PolarHBondContact O-N 3.34Å
297	R	43.1	Very low	55.2	Low	206 Å²	206	126.7 Å²	126.7	78%	0.777	61%	0.608	S	S	*	*			trans	-72.5	111.1	-174.8	-85	-179.4	161.5	175.3	-4.5	107.8	L294 G295 S299	L294-R297 VanDerWaalsContact CD2-CZ 3.46Å; L294-R297 VanDerWaalsContact CD2-NE 3.34Å; G295-R297 PolarHBondContact O-N 2.95Å; R297-S299 PolarHBondContact O-N 3.33Å
298	D	44.8	Very low	57.8	Low	116 Å²	116	125 Å²	125	62%	0.62	61%	0.608	S	S	*	*			trans	-61.8	119.2	174.4	-173.6	8.7	0	0	0	110.1	Y296 G300 Y301	Y296-D298 PolarHBondContact O-N 3.34Å; D298-G300 PolarHBondContact O-N 3.11Å; D298-G300 PolarHBondContact OD1-N 3.49Å; D298-Y301 PolarHBondContact O-N 3.37Å
299	S	54.4	Low	60.6	Low	66 Å²	66	120.2 Å²	120.2	46%	0.462	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-62.8	-6.2	-177.4	67.5	0	0	0	0	114.5	R297 R359	R297-S299 PolarHBondContact O-N 3.33Å; S299-R359 PolarHBondContact OG-NH1 3.07Å
300	G	52.1	Low	63.1	Low	13 Å²	13	111.5 Å²	111.5	13%	0.134	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-69.8	-26.3	175.9	0	0	0	0	0	114.6	D298 Y302	D298-G300 PolarHBondContact O-N 3.11Å; D298-G300 PolarHBondContact OD1-N 3.49Å; G300-Y302 VanDerWaalsContact C-N 3.28Å; G300-Y302 PolarHBondContact O-N 3.41Å
301	Y	52.7	Low	65.9	Low	200 Å²	200	107.5 Å²	107.5	78%	0.784	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-71.3	-16.5	-174.3	-118.7	-88.7	0	0	0	114.6	D298	D298-Y301 PolarHBondContact O-N 3.37Å
302	Y	65.9	Low	68.6	Low	195 Å²	195	104.9 Å²	104.9	77%	0.765	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-83.6	-13	-173.2	-157.9	-95.1	0	0	0	114.1	G300	G300-Y302 VanDerWaalsContact C-N 3.28Å; G300-Y302 PolarHBondContact O-N 3.41Å
303	W	84.6	Confident	71.2	Confident	64 Å²	64	99.3 Å²	99.3	24%	0.242	50%	0.496	C	S	.	.	S	Bend	trans	-116.1	-6.2	-171.9	-56.8	97.5	0	0	0	113.6	G371 F372	W303-G371 WeakPolarHBondContact O-CA 3.35Å; W303-F372 HydrophobicContact CB-CD1 4.25Å; W303-F372 HydrophobicContact CB-CE1 3.96Å; W303-F372 VanDerWaalsContact O-CD1 3.29Å; W303-F372 WeakPolarHBondContact O-CD1 3.25Å; W303-F372 PolarHBondContact O-N 3.19Å
304	E	91.7	Very high	74	Confident	48 Å²	48	99.2 Å²	99.2	22%	0.224	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-85.2	110.3	170.6	-172.5	168.7	-179.2	0	0	108.4	K352 F372 T374	E304-K352 IonicContact OE1-NZ 3.87Å; E304-K352 WeakPolarHBondContact OE2-CE 3.3Å; E304-K352 IonicContact OE2-NZ 2.75Å; E304-K352 PolarHBondContact OE2-NZ 3.17Å; E304-F372 CarbonylContact C-O 3.52Å; E304-F372 WeakPolarHBondContact CA-O 3.48Å; E304-F372 HydrophobicContact CB-CD2 4.46Å; E304-F372 HydrophobicContact CB-CE1 4.4Å; E304-F372 HydrophobicContact CB-CE2 3.79Å; E304-F372 HydrophobicContact CB-CZ 3.77Å; E304-F372 HydrophobicContact CG-CD2 4.36Å; E304-F372 HydrophobicContact CG-CE2 3.84Å; E304-F372 HydrophobicContact CG-CZ 4.34Å; E304-T374 WeakPolarHBondContact OE1-CB 3.31Å; E304-T374 VanDerWaalsContact OE1-CG2 3.26Å; E304-T374 WeakPolarHBondContact OE1-CG2 3.34Å; E304-T374 PolarHBondContact OE1-OG1 2.94Å
305	V	92.6	Very high	76.5	Confident	8 Å²	8	100.9 Å²	100.9	5%	0.048	49%	0.485	C	S	.	.			trans	-90.7	128.3	-174.1	-176.1	0	0	0	0	109.8	E309 V310 W329 F372 M373 I381	V305-E309 HydrophobicContact CG1-CB 4.25Å; V305-V310 HydrophobicContact CB-CG2 4.5Å; V305-V310 HydrophobicContact CG1-CG2 3.55Å; V305-W329 HydrophobicContact CB-CZ2 4.39Å; V305-W329 HydrophobicContact CG1-CD2 4.34Å; V305-W329 HydrophobicContact CG1-CZ2 3.9Å; V305-W329 HydrophobicContact CG2-CH2 3.8Å; V305-W329 HydrophobicContact CG2-CZ2 3.53Å; V305-F372 PolarHBondContact N-O 3.3Å; V305-M373 HydrophobicContact CB-CG 4.39Å; V305-M373 WeakPolarHBondContact O-CG 3.41Å; V305-I381 HydrophobicContact CB-CD1 3.83Å; V305-I381 HydrophobicContact CG1-CD1 4.14Å; V305-I381 HydrophobicContact CG2-CD1 3.83Å
306	P	92.1	Very high	79	Confident	54 Å²	54	102.6 Å²	102.6	35%	0.351	48%	0.48	S	S	.	.			trans	-61.4	135	173	-24	35	0	0	0	111.6	S308 E309	P306-S308 PolarHBondContact O-N 3.15Å; P306-S308 VanDerWaalsContact O-N 3.08Å; P306-E309 HydrophobicContact CB-CG 4.25Å; P306-E309 WeakPolarHBondContact CD-OE1 3.39Å; P306-E309 HydrophobicContact CG-CG 4.44Å; P306-E309 WeakPolarHBondContact CG-OE1 3.39Å; P306-E309 PolarHBondContact O-N 3.45Å
307	P	90.8	Very high	80.8	Confident	60 Å²	60	93.3 Å²	93.3	39%	0.39	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.6	-179	-27.1	37.6	0	0	0	114.2	E309 V310 M373 R375	P307-E309 PolarHBondContact O-N 3.27Å; P307-V310 PolarHBondContact O-N 2.87Å; P307-M373 HydrophobicContact CB-SD 4.45Å; P307-M373 HydrophobicContact CG-SD 4.46Å; P307-R375 HydrophobicContact CG-CB 4.43Å; P307-R375 WeakPolarHBondContact CG-O 3.4Å
308	S	93	Very high	82.8	Confident	112 Å²	112	87.1 Å²	87.1	78%	0.783	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.7	176.1	51.5	0	0	0	0	113.8	P306	P306-S308 PolarHBondContact O-N 3.15Å; P306-S308 VanDerWaalsContact O-N 3.08Å
309	E	93.7	Very high	84.2	Confident	99 Å²	99	83.5 Å²	83.5	46%	0.463	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-86.3	-19.1	179.3	-65.3	179.9	-161	0	0	112.7	V305 P306 P307 W329	V305-E309 HydrophobicContact CG1-CB 4.25Å; P306-E309 HydrophobicContact CB-CG 4.25Å; P306-E309 WeakPolarHBondContact CD-OE1 3.39Å; P306-E309 HydrophobicContact CG-CG 4.44Å; P306-E309 WeakPolarHBondContact CG-OE1 3.39Å; P306-E309 PolarHBondContact O-N 3.45Å; P307-E309 PolarHBondContact O-N 3.27Å; E309-W329 PolarHBondContact OE2-NE1 3.11Å
310	V	95	Very high	85	Confident	14 Å²	14	83.6 Å²	83.6	9%	0.085	43%	0.429	C	S	.	.			trans	-105.8	114.9	-173.4	-176	0	0	0	0	109.8	V305 P307 L312 W329 V335 M373 I381	V305-V310 HydrophobicContact CB-CG2 4.5Å; V305-V310 HydrophobicContact CG1-CG2 3.55Å; P307-V310 PolarHBondContact O-N 2.87Å; V310-L312 HydrophobicContact CG1-CD2 4.45Å; V310-W329 HydrophobicContact CG2-CB 4.19Å; V310-W329 HydrophobicContact CG2-CG 4.04Å; V310-V335 HydrophobicContact CG1-CG2 3.85Å; V310-M373 HydrophobicContact CB-SD 4.29Å; V310-M373 HydrophobicContact CG2-SD 4.05Å; V310-I381 HydrophobicContact CG2-CD1 3.79Å
311	Q	95.8	Very high	85.9	Confident	114 Å²	114	84.2 Å²	84.2	53%	0.533	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.4	171.4	-171.5	179.9	26.5	0	0	109.7	L313 G327 R328	Q311-L313 HydrophobicContact CG-CD2 3.95Å; Q311-G327 CarbonylContact O-C 3.56Å; Q311-G327 WeakPolarHBondContact O-CA 3.36Å; Q311-R328 HydrophobicContact CB-CB 4.31Å; Q311-R328 PolarHBondContact N-O 2.95Å; Q311-R328 PolarHBondContact O-N 2.9Å
312	L	94.4	Very high	87.4	Confident	82 Å²	82	74.7 Å²	74.7	43%	0.429	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130	169.7	-63.8	179.9	0	0	0	110	V310 F325 V335	V310-L312 HydrophobicContact CG1-CD2 4.45Å; L312-F325 HydrophobicContact CD2-CB 4.09Å; L312-F325 HydrophobicContact CD2-CG 4.49Å; L312-V335 HydrophobicContact CD2-CB 3.69Å; L312-V335 HydrophobicContact CD2-CG1 3.73Å; L312-V335 HydrophobicContact CD2-CG2 3.91Å
313	L	94.7	Very high	88.5	Confident	67 Å²	67	66.7 Å²	66.7	35%	0.351	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-129.8	179.5	-54.4	174	0	0	0	109.5	Q311 R326 R328	Q311-L313 HydrophobicContact CG-CD2 3.95Å; L313-R326 CarbonylContact C-O 3.42Å; L313-R326 WeakPolarHBondContact CA-O 3.08Å; L313-R326 VanDerWaalsContact CB-O 3.27Å; L313-R326 WeakPolarHBondContact CB-O 3.42Å; L313-R326 HydrophobicContact CD1-CG 4.39Å; L313-R326 PolarHBondContact N-O 3.35Å; L313-R328 HydrophobicContact CD1-CB 4.45Å
314	K	94.3	Very high	88.9	Confident	158 Å²	158	65.6 Å²	65.6	69%	0.687	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.7	-176.8	-175.7	178.5	177.5	-178.1	0	111.8	I316 F325 R326	K314-I316 PolarHBondContact O-N 3.33Å; K314-F325 WeakPolarHBondContact O-CA 3.42Å; K314-R326 PolarHBondContact O-N 3.25Å
315	R	95.1	Very high	89	Confident	163 Å²	163	65.5 Å²	65.5	62%	0.615	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	122.9	165.5	-172.7	178.8	72.7	-175.8	3.4	109.7	T323 F325	R315-T323 HydrophobicContact CG-CG2 3.73Å; R315-F325 HydrophobicContact CB-CD1 3.86Å; R315-F325 HydrophobicContact CB-CE1 3.77Å; R315-F325 HydrophobicContact CG-CD1 4.24Å; R315-F325 HydrophobicContact CG-CE1 3.94Å; R315-F325 HydrophobicContact CG-CZ 4.36Å
316	I	90.6	Very high	89.1	Confident	89 Å²	89	68.8 Å²	68.8	46%	0.456	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-46.2	-179.2	-56.5	-54.6	0	0	0	110.7	K314 V324 R326 W384	K314-I316 PolarHBondContact O-N 3.33Å; I316-V324 HydrophobicContact CB-CG1 4.46Å; I316-V324 PolarHBondContact N-O 3.46Å; I316-R326 HydrophobicContact CD1-CB 4.07Å; I316-R326 HydrophobicContact CG1-CB 4.27Å; I316-W384 HydrophobicContact CD1-CH2 3.8Å; I316-W384 HydrophobicContact CD1-CZ3 4.3Å; I316-W384 HydrophobicContact CG1-CH2 3.97Å; I316-W384 HydrophobicContact CG1-CZ3 4.01Å
317	G	85.6	Confident	89.3	Confident	31 Å²	31	66.2 Å²	66.2	32%	0.32	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	165.6	-179.7	0	0	0	0	0	113.2	V324	G317-V324 PolarHBondContact N-O 3.07Å; G317-V324 PolarHBondContact O-N 3.47Å
318	T	84.2	Confident	89.6	Confident	77 Å²	77	69.6 Å²	69.6	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	177.5	-58.5	0	0	0	0	108.8
319	G	74.9	Confident	89.7	Confident	39 Å²	39	66.5 Å²	66.5	40%	0.402	33%	0.333	S	S	.	.			trans	-108	-171.2	176.6	0	0	0	0	0	113.3	F321 G322 K339	G319-F321 VanDerWaalsContact C-N 3.34Å; G319-G322 PolarHBondContact N-O 3.15Å; G319-K339 PolarHBondContact O-NZ 2.81Å
320	S	70.7	Confident	89.7	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	35%	0.349	S	S	.	.	S	Bend	trans	-64.9	-36.1	175.3	52.2	0	0	0	0	112.7
321	F	71.5	Confident	89.7	Confident	26 Å²	26	71.2 Å²	71.2	11%	0.114	36%	0.364	C	S	.	.	S	Bend	trans	-91.3	-15	-175	-61.4	-76.1	0	0	0	114.4	G319 L338 K339 L450 K454	G319-F321 VanDerWaalsContact C-N 3.34Å; F321-L338 WeakPolarHBondContact O-CA 3.42Å; F321-L338 WeakPolarHBondContact O-CD2 3.37Å; F321-K339 PolarHBondContact O-N 2.96Å; F321-L450 WeakPolarHBondContact CD1-O 3.24Å; F321-L450 VanDerWaalsContact CE1-O 3.29Å; F321-L450 WeakPolarHBondContact CE1-O 3.37Å; F321-K454 HydrophobicContact CD1-CB 4.09Å; F321-K454 HydrophobicContact CD1-CD 4.05Å; F321-K454 HydrophobicContact CD1-CG 4.5Å; F321-K454 HydrophobicContact CE1-CB 3.85Å; F321-K454 HydrophobicContact CE1-CD 3.7Å; F321-K454 HydrophobicContact CE1-CG 4.35Å
322	G	83.7	Confident	89.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-177.9	-169.8	0	0	0	0	0	113.8	G319 V337	G319-G322 PolarHBondContact N-O 3.15Å; G322-V337 CarbonylContact C-O 3.45Å; G322-V337 WeakPolarHBondContact CA-O 3.33Å
323	T	89.7	Confident	89.7	Confident	26 Å²	26	64.4 Å²	64.4	16%	0.16	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.3	173.3	-54.2	0	0	0	0	108.8	R315 F325 K336 V337	R315-T323 HydrophobicContact CG-CG2 3.73Å; T323-F325 HydrophobicContact CG2-CD2 4.2Å; T323-F325 HydrophobicContact CG2-CE1 4.43Å; T323-F325 HydrophobicContact CG2-CE2 3.47Å; T323-F325 VanDerWaalsContact CG2-CE2 3.47Å; T323-F325 HydrophobicContact CG2-CZ 3.6Å; T323-K336 CarbonylContact O-C 3.47Å; T323-V337 PolarHBondContact N-O 3.26Å; T323-V337 PolarHBondContact O-N 3.33Å
324	V	91.9	Very high	89.8	Confident	41 Å²	41	61.9 Å²	61.9	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.8	179.2	-176.8	0	0	0	0	109.7	I316 G317 A334 V335 K336	I316-V324 HydrophobicContact CB-CG1 4.46Å; I316-V324 PolarHBondContact N-O 3.46Å; G317-V324 PolarHBondContact N-O 3.07Å; G317-V324 PolarHBondContact O-N 3.47Å; V324-A334 HydrophobicContact CG1-CB 4.49Å; V324-V335 WeakPolarHBondContact CA-O 3.47Å; V324-K336 HydrophobicContact CG2-CB 4.16Å; V324-K336 HydrophobicContact CG2-CD 4.26Å; V324-K336 HydrophobicContact CG2-CG 3.91Å
325	F	94.3	Very high	89.8	Confident	46 Å²	46	54.3 Å²	54.3	20%	0.202	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.3	174.2	-60.6	-97.2	0	0	0	108.9	L312 K314 R315 T323 V335 V337	L312-F325 HydrophobicContact CD2-CB 4.09Å; L312-F325 HydrophobicContact CD2-CG 4.49Å; K314-F325 WeakPolarHBondContact O-CA 3.42Å; R315-F325 HydrophobicContact CB-CD1 3.86Å; R315-F325 HydrophobicContact CB-CE1 3.77Å; R315-F325 HydrophobicContact CG-CD1 4.24Å; R315-F325 HydrophobicContact CG-CE1 3.94Å; R315-F325 HydrophobicContact CG-CZ 4.36Å; T323-F325 HydrophobicContact CG2-CD2 4.2Å; T323-F325 HydrophobicContact CG2-CE1 4.43Å; T323-F325 HydrophobicContact CG2-CE2 3.47Å; T323-F325 VanDerWaalsContact CG2-CE2 3.47Å; T323-F325 HydrophobicContact CG2-CZ 3.6Å; F325-V335 PolarHBondContact N-O 3.04Å; F325-V335 PolarHBondContact O-N 3.43Å; F325-V337 HydrophobicContact CD2-CG2 3.92Å; F325-V337 HydrophobicContact CE2-CB 4.25Å; F325-V337 HydrophobicContact CE2-CG2 3.85Å
326	R	95.6	Very high	89.7	Confident	77 Å²	77	47.4 Å²	47.4	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.5	157.5	-175.3	175.5	179.5	173.4	4.7	106.8	L313 K314 I316 D332 W384	L313-R326 CarbonylContact C-O 3.42Å; L313-R326 WeakPolarHBondContact CA-O 3.08Å; L313-R326 VanDerWaalsContact CB-O 3.27Å; L313-R326 WeakPolarHBondContact CB-O 3.42Å; L313-R326 HydrophobicContact CD1-CG 4.39Å; L313-R326 PolarHBondContact N-O 3.35Å; K314-R326 PolarHBondContact O-N 3.25Å; I316-R326 HydrophobicContact CD1-CB 4.07Å; I316-R326 HydrophobicContact CG1-CB 4.27Å; R326-D332 IonicContact CZ-OD2 2.72Å; R326-D332 IonicContact NE-OD2 3.85Å; R326-D332 IonicContact NH2-OD2 2.71Å; R326-D332 PolarHBondContact NH2-OD2 3.26Å; R326-W384 HydrophobicContact CB-CE3 4.28Å; R326-W384 HydrophobicContact CB-CH2 4.09Å; R326-W384 HydrophobicContact CB-CZ3 3.79Å; R326-W384 HydrophobicContact CG-CD2 4.33Å; R326-W384 HydrophobicContact CG-CE3 4.02Å; R326-W384 HydrophobicContact CG-CH2 4.21Å; R326-W384 HydrophobicContact CG-CZ2 4.47Å; R326-W384 HydrophobicContact CG-CZ3 3.96Å
327	G	95.8	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	174.5	176.5	0	0	0	0	0	111.7	Q311 V333	Q311-G327 CarbonylContact O-C 3.56Å; Q311-G327 WeakPolarHBondContact O-CA 3.36Å; G327-V333 PolarHBondContact N-O 3.38Å; G327-V333 PolarHBondContact O-N 2.83Å
328	R	96.4	Very high	89.8	Confident	131 Å²	131	44.3 Å²	44.3	49%	0.494	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.8	174.2	-175.3	165.6	-72.5	164.2	-3.4	110.2	Q311 L313 G331 D332	Q311-R328 HydrophobicContact CB-CB 4.31Å; Q311-R328 PolarHBondContact N-O 2.95Å; Q311-R328 PolarHBondContact O-N 2.9Å; L313-R328 HydrophobicContact CD1-CB 4.45Å; R328-G331 CarbonylContact C-O 3.53Å; R328-G331 VanDerWaalsContact CA-O 3.31Å; R328-G331 WeakPolarHBondContact CA-O 3.2Å; R328-D332 IonicContact NE-OD1 3.48Å; R328-D332 IonicContact NH2-OD1 2.83Å
329	W	95.1	Very high	89.6	Confident	48 Å²	48	46.6 Å²	46.6	18%	0.182	24%	0.243	C	C	.	.	S	Bend	trans	-157.8	106.1	175.5	-177.2	68	0	0	0	108.4	V305 E309 V310 G331 V333 M370 I381	V305-W329 HydrophobicContact CB-CZ2 4.39Å; V305-W329 HydrophobicContact CG1-CD2 4.34Å; V305-W329 HydrophobicContact CG1-CZ2 3.9Å; V305-W329 HydrophobicContact CG2-CH2 3.8Å; V305-W329 HydrophobicContact CG2-CZ2 3.53Å; E309-W329 PolarHBondContact OE2-NE1 3.11Å; V310-W329 HydrophobicContact CG2-CB 4.19Å; V310-W329 HydrophobicContact CG2-CG 4.04Å; W329-G331 CarbonylContact C-O 3.49Å; W329-G331 PolarHBondContact N-O 2.87Å; W329-G331 PolarHBondContact O-N 3.33Å; W329-G331 VanDerWaalsContact O-N 3.1Å; W329-V333 HydrophobicContact CB-CG1 4.35Å; W329-V333 HydrophobicContact CB-CG2 4.09Å; W329-M370 HydrophobicContact CZ3-CB 4Å; W329-I381 HydrophobicContact CE3-CG2 4.25Å
330	H	94.1	Very high	89.6	Confident	174 Å²	174	46.5 Å²	46.5	81%	0.806	24%	0.235	S	C	*	.	S	Bend	trans	51.3	27.8	-170	-57	-61.6	0	0	0	115.1
331	G	94.6	Very high	89.4	Confident	38 Å²	38	48.8 Å²	48.8	39%	0.392	25%	0.251	S	S	.	.	S	Bend	trans	133.2	-173.8	-170.3	0	0	0	0	0	110.8	R328 W329	R328-G331 CarbonylContact C-O 3.53Å; R328-G331 VanDerWaalsContact CA-O 3.31Å; R328-G331 WeakPolarHBondContact CA-O 3.2Å; W329-G331 CarbonylContact C-O 3.49Å; W329-G331 PolarHBondContact N-O 2.87Å; W329-G331 PolarHBondContact O-N 3.33Å; W329-G331 VanDerWaalsContact O-N 3.1Å
332	D	95.9	Very high	89.4	Confident	50 Å²	50	56.4 Å²	56.4	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.5	175.3	-73.7	-21.4	0	0	0	111	R326 R328 W384	R326-D332 IonicContact CZ-OD2 2.72Å; R326-D332 IonicContact NE-OD2 3.85Å; R326-D332 IonicContact NH2-OD2 2.71Å; R326-D332 PolarHBondContact NH2-OD2 3.26Å; R328-D332 IonicContact NE-OD1 3.48Å; R328-D332 IonicContact NH2-OD1 2.83Å; D332-W384 HydrophobicContact CB-CB 3.96Å; D332-W384 HydrophobicContact CB-CG 4.13Å; D332-W384 VanDerWaalsContact O-CB 3.32Å; D332-W384 WeakPolarHBondContact O-CB 3.28Å
333	V	96.1	Very high	89.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.6	-177.8	-63.2	0	0	0	0	111.5	G327 W329 V335 M370 I381	G327-V333 PolarHBondContact N-O 3.38Å; G327-V333 PolarHBondContact O-N 2.83Å; W329-V333 HydrophobicContact CB-CG1 4.35Å; W329-V333 HydrophobicContact CB-CG2 4.09Å; V333-V335 HydrophobicContact CG2-CG2 3.89Å; V333-M370 HydrophobicContact CG1-SD 3.62Å; V333-I381 HydrophobicContact CB-CG2 3.89Å; V333-I381 HydrophobicContact CG1-CG2 4.12Å; V333-I381 HydrophobicContact CG2-CG2 4.04Å
334	A	94.9	Very high	88.7	Confident	14 Å²	14	60.4 Å²	60.4	12%	0.116	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.8	166.5	0	0	0	0	0	109.4	V324 T382 W384	V324-A334 HydrophobicContact CG1-CB 4.49Å; A334-T382 PolarHBondContact N-O 3.17Å; A334-T382 PolarHBondContact O-N 3.01Å; A334-T382 PolarHBondContact O-OG1 2.97Å; A334-W384 HydrophobicContact CB-CE3 4.14Å
335	V	94.6	Very high	88.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.1	179.1	-170.9	0	0	0	0	109.4	V310 L312 V324 F325 V333 V337 A379 I380 I381	V310-V335 HydrophobicContact CG1-CG2 3.85Å; L312-V335 HydrophobicContact CD2-CB 3.69Å; L312-V335 HydrophobicContact CD2-CG1 3.73Å; L312-V335 HydrophobicContact CD2-CG2 3.91Å; V324-V335 WeakPolarHBondContact CA-O 3.47Å; F325-V335 PolarHBondContact N-O 3.04Å; F325-V335 PolarHBondContact O-N 3.43Å; V333-V335 HydrophobicContact CG2-CG2 3.89Å; V335-V337 HydrophobicContact CG1-CG2 4.46Å; V335-A379 HydrophobicContact CG1-CB 4.1Å; V335-I380 WeakPolarHBondContact CA-O 3.48Å; V335-I381 HydrophobicContact CG1-CG1 4.45Å; V335-I381 HydrophobicContact CG2-CG1 4.49Å
336	K	92.6	Very high	87.7	Confident	17 Å²	17	68.2 Å²	68.2	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.3	177.7	-173.2	174.4	-169.8	175.3	0	109.8	T323 V324 L338 A379 I380 D447 L450	T323-K336 CarbonylContact O-C 3.47Å; V324-K336 HydrophobicContact CG2-CB 4.16Å; V324-K336 HydrophobicContact CG2-CD 4.26Å; V324-K336 HydrophobicContact CG2-CG 3.91Å; K336-L338 HydrophobicContact CD-CD2 4.49Å; K336-L338 HydrophobicContact CG-CD2 4.28Å; K336-A379 CarbonylContact O-C 3.59Å; K336-A379 WeakPolarHBondContact O-CA 3.49Å; K336-I380 PolarHBondContact N-O 3.41Å; K336-I380 PolarHBondContact O-N 2.97Å; K336-D447 IonicContact NZ-OD1 2.75Å; K336-D447 PolarHBondContact NZ-OD1 3.03Å; K336-D447 IonicContact NZ-OD2 2.97Å; K336-D447 PolarHBondContact NZ-OD2 3.4Å; K336-L450 HydrophobicContact CD-CD1 4.15Å
337	V	91.3	Very high	86.9	Confident	43 Å²	43	66.1 Å²	66.1	26%	0.261	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.3	175.2	-175.8	0	0	0	0	108.6	G322 T323 F325 V335 A379	G322-V337 CarbonylContact C-O 3.45Å; G322-V337 WeakPolarHBondContact CA-O 3.33Å; T323-V337 PolarHBondContact N-O 3.26Å; T323-V337 PolarHBondContact O-N 3.33Å; F325-V337 HydrophobicContact CD2-CG2 3.92Å; F325-V337 HydrophobicContact CE2-CB 4.25Å; F325-V337 HydrophobicContact CE2-CG2 3.85Å; V335-V337 HydrophobicContact CG1-CG2 4.46Å; V337-A379 HydrophobicContact CG2-CB 4.32Å
338	L	87.3	Confident	86.3	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.9	-177.6	-55.5	-178.4	0	0	0	110.8	F321 K336 V340 F351 F378 I380 V453 W457	F321-L338 WeakPolarHBondContact O-CA 3.42Å; F321-L338 WeakPolarHBondContact O-CD2 3.37Å; K336-L338 HydrophobicContact CD-CD2 4.49Å; K336-L338 HydrophobicContact CG-CD2 4.28Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 HydrophobicContact CB-CG2 4.22Å; L338-V340 PolarHBondContact O-N 3.37Å; L338-F351 HydrophobicContact CD1-CD2 4.44Å; L338-F351 HydrophobicContact CD1-CE2 3.96Å; L338-F378 HydrophobicContact CB-CB 4.2Å; L338-F378 HydrophobicContact CD1-CB 3.98Å; L338-F378 HydrophobicContact CG-CB 4.34Å; L338-F378 PolarHBondContact N-O 3.4Å; L338-I380 HydrophobicContact CD1-CD1 4.39Å; L338-V453 HydrophobicContact CD1-CG1 4.2Å; L338-W457 HydrophobicContact CD1-CZ3 4.32Å
339	K	80.5	Confident	85.6	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	36%	0.364	S	S	.	.			trans	-81.6	77.4	176.4	-71.1	168.4	178.7	174.6	0	109.9	G319 F321	G319-K339 PolarHBondContact O-NZ 2.81Å; F321-K339 PolarHBondContact O-N 2.96Å
340	V	74.6	Confident	84.9	Confident	38 Å²	38	65 Å²	65	23%	0.23	37%	0.366	C	S	.	.			trans	-122.5	115.1	174.7	-173.8	0	0	0	0	108.9	L338 Q342 P343 F378	L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 HydrophobicContact CB-CG2 4.22Å; L338-V340 PolarHBondContact O-N 3.37Å; V340-Q342 PolarHBondContact O-N 2.86Å; V340-P343 HydrophobicContact CG1-CB 3.86Å; V340-P343 HydrophobicContact CG1-CG 4.46Å; V340-F378 HydrophobicContact CG2-CD2 4.25Å
341	S	67.7	Low	84.4	Confident	117 Å²	117	56.7 Å²	56.7	82%	0.818	33%	0.328	S	S	*	.	S	Bend	trans	-79.6	114.7	174.9	-60.3	0	0	0	0	109
342	Q	71.4	Confident	84	Confident	185 Å²	185	57.8 Å²	57.8	86%	0.864	32%	0.321	S	S	*	.	S	Bend	trans	44.7	73.7	175	-63.5	-175.1	1.7	0	0	114	V340 T344	V340-Q342 PolarHBondContact O-N 2.86Å; Q342-T344 PolarHBondContact O-N 3.43Å
343	P	75.9	Confident	83.3	Confident	42 Å²	42	59.6 Å²	59.6	27%	0.273	33%	0.331	S	S	.	.			trans	-61.3	136.7	-176.5	23.6	-32.2	0	0	0	112.4	V340 Q347 F378	V340-P343 HydrophobicContact CG1-CB 3.86Å; V340-P343 HydrophobicContact CG1-CG 4.46Å; P343-Q347 HydrophobicContact CB-CB 4.4Å; P343-F378 HydrophobicContact CB-CD2 4.43Å; P343-F378 HydrophobicContact CB-CE1 3.89Å; P343-F378 HydrophobicContact CB-CE2 3.54Å; P343-F378 HydrophobicContact CB-CZ 3.2Å; P343-F378 HydrophobicContact CG-CD1 4.2Å; P343-F378 HydrophobicContact CG-CE1 3.56Å; P343-F378 HydrophobicContact CG-CE2 4.05Å; P343-F378 HydrophobicContact CG-CZ 3.45Å; P343-F378 VanDerWaalsContact CG-CZ 3.45Å
344	T	81.9	Confident	82.6	Confident	68 Å²	68	60.5 Å²	60.5	42%	0.417	34%	0.335	S	S	.	.			trans	-68.3	160.5	171.7	72.4	0	0	0	0	111	Q342 E346 Q347 A348	Q342-T344 PolarHBondContact O-N 3.43Å; T344-E346 PolarHBondContact O-N 3.45Å; T344-Q347 PolarHBondContact O-N 3.15Å; T344-Q347 VanDerWaalsContact O-N 3.15Å; T344-Q347 VanDerWaalsContact OG1-CG 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.47Å; T344-Q347 PolarHBondContact OG1-N 3.47Å; T344-A348 PolarHBondContact O-N 3.1Å
345	A	83.2	Confident	82.2	Confident	88 Å²	88	59.9 Å²	59.9	73%	0.727	33%	0.33	S	S	*	.	H	α-helix	trans	-58.1	-35.3	175.9	0	0	0	0	0	112.3	A348 Q349	A345-A348 PolarHBondContact O-N 2.99Å; A345-Q349 PolarHBondContact O-N 3.06Å
346	E	81.7	Confident	81.6	Confident	164 Å²	164	61.4 Å²	61.4	77%	0.766	34%	0.337	S	S	*	.	H	α-helix	trans	-66.7	-43.6	175.9	-65	174	-179.1	0	0	111.9	T344 A348 Q349 A350	T344-E346 PolarHBondContact O-N 3.45Å; E346-A348 VanDerWaalsContact C-N 3.33Å; E346-A348 PolarHBondContact O-N 3.01Å; E346-Q349 PolarHBondContact O-N 2.75Å; E346-A350 WeakPolarHBondContact O-CB 3.48Å; E346-A350 PolarHBondContact O-N 3.46Å
347	Q	79.3	Confident	81.1	Confident	33 Å²	33	64 Å²	64	15%	0.154	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-38.9	175	-70.3	168.9	-15	0	0	111.5	P343 T344 A350 F351 W457	P343-Q347 HydrophobicContact CB-CB 4.4Å; T344-Q347 PolarHBondContact O-N 3.15Å; T344-Q347 VanDerWaalsContact O-N 3.15Å; T344-Q347 VanDerWaalsContact OG1-CG 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.47Å; T344-Q347 PolarHBondContact OG1-N 3.47Å; Q347-A350 PolarHBondContact O-N 2.84Å; Q347-F351 WeakPolarHBondContact O-CB 3.42Å; Q347-F351 PolarHBondContact O-N 3.46Å; Q347-W457 HydrophobicContact CB-CB 4.28Å; Q347-W457 HydrophobicContact CB-CG 4.32Å; Q347-W457 HydrophobicContact CG-CB 4.01Å; Q347-W457 HydrophobicContact CG-CG 4.36Å; Q347-W457 PolarHBondContact NE2-O 3.36Å
348	A	82.6	Confident	80.6	Confident	22 Å²	22	62.5 Å²	62.5	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-42.7	173.6	0	0	0	0	0	112.2	T344 A345 E346 F351 K352 F378	T344-A348 PolarHBondContact O-N 3.1Å; A345-A348 PolarHBondContact O-N 2.99Å; E346-A348 VanDerWaalsContact C-N 3.33Å; E346-A348 PolarHBondContact O-N 3.01Å; A348-F351 PolarHBondContact O-N 3.32Å; A348-K352 WeakPolarHBondContact O-CG 3.34Å; A348-K352 PolarHBondContact O-N 3.22Å; A348-F378 VanDerWaalsContact CA-CZ 3.4Å; A348-F378 HydrophobicContact CB-CE1 4.12Å; A348-F378 HydrophobicContact CB-CZ 3.7Å
349	Q	83.2	Confident	80.4	Confident	104 Å²	104	64.8 Å²	64.8	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-41.4	176.6	-171.1	59	44.5	0	0	111.6	A345 E346 K352 N353	A345-Q349 PolarHBondContact O-N 3.06Å; E346-Q349 PolarHBondContact O-N 2.75Å; Q349-K352 PolarHBondContact O-N 2.88Å; Q349-N353 PolarHBondContact NE2-OD1 3.05Å; Q349-N353 PolarHBondContact O-N 3.41Å; Q349-N353 PolarHBondContact O-ND2 2.97Å; Q349-N353 PolarHBondContact O-OD1 2.68Å
350	A	79.9	Confident	80.5	Confident	28 Å²	28	65.1 Å²	65.1	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-40.7	175.7	0	0	0	0	0	111.7	E346 Q347 N353 E354 W457	E346-A350 WeakPolarHBondContact O-CB 3.48Å; E346-A350 PolarHBondContact O-N 3.46Å; Q347-A350 PolarHBondContact O-N 2.84Å; A350-N353 PolarHBondContact O-N 2.87Å; A350-E354 PolarHBondContact O-N 2.96Å; A350-W457 HydrophobicContact CB-CZ2 4.5Å
351	F	84.1	Confident	81.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.4	-50.1	171.4	173.7	-118.7	0	0	0	112	L338 Q347 A348 N353 E354 M355 F372 T374 F378 I380 W457	L338-F351 HydrophobicContact CD1-CD2 4.44Å; L338-F351 HydrophobicContact CD1-CE2 3.96Å; Q347-F351 WeakPolarHBondContact O-CB 3.42Å; Q347-F351 PolarHBondContact O-N 3.46Å; A348-F351 PolarHBondContact O-N 3.32Å; F351-N353 VanDerWaalsContact C-N 3.28Å; F351-N353 PolarHBondContact O-N 3.16Å; F351-E354 PolarHBondContact O-N 3.4Å; F351-E354 VanDerWaalsContact O-N 3.13Å; F351-M355 HydrophobicContact CD2-CE 3.92Å; F351-M355 HydrophobicContact CD2-CG 4.03Å; F351-M355 HydrophobicContact CD2-SD 4.28Å; F351-M355 HydrophobicContact CE1-CG 4.28Å; F351-M355 HydrophobicContact CE2-CE 3.69Å; F351-M355 HydrophobicContact CE2-CG 3.77Å; F351-M355 HydrophobicContact CE2-SD 3.63Å; F351-M355 HydrophobicContact CG-CG 4.45Å; F351-M355 HydrophobicContact CZ-CG 3.92Å; F351-M355 HydrophobicContact CZ-SD 4Å; F351-M355 WeakPolarHBondContact O-CG 3.36Å; F351-M355 PolarHBondContact O-N 2.91Å; F351-F372 HydrophobicContact CD1-CD2 4.3Å; F351-F372 HydrophobicContact CE1-CB 4.15Å; F351-F372 AromaticContact CE1-CD2 3.54Å; F351-F372 HydrophobicContact CE1-CD2 3.54Å; F351-F372 HydrophobicContact CE1-CE2 4.31Å; F351-F372 HydrophobicContact CE1-CG 4.16Å; F351-F372 HydrophobicContact CZ-CB 3.85Å; F351-F372 HydrophobicContact CZ-CD2 4.13Å; F351-F372 HydrophobicContact CZ-CG 4.3Å; F351-T374 HydrophobicContact CD1-CG2 4.27Å; F351-T374 HydrophobicContact CE1-CG2 4.25Å; F351-F378 HydrophobicContact CB-CD2 4.14Å; F351-F378 HydrophobicContact CB-CE2 3.92Å; F351-F378 HydrophobicContact CB-CZ 4.37Å; F351-F378 HydrophobicContact CD1-CB 4.4Å; F351-F378 HydrophobicContact CD1-CD1 4Å; F351-F378 HydrophobicContact CD1-CD2 4.09Å; F351-F378 HydrophobicContact CD1-CE1 4.27Å; F351-F378 HydrophobicContact CD1-CE2 4.37Å; F351-F378 AromaticContact CD1-CG 3.9Å; F351-F378 HydrophobicContact CD1-CG 3.9Å; F351-F378 HydrophobicContact CD1-CZ 4.46Å; F351-F378 HydrophobicContact CD2-CD2 4.43Å; F351-F378 HydrophobicContact CE1-CB 4.06Å; F351-F378 HydrophobicContact CE1-CD1 4.17Å; F351-F378 HydrophobicContact CE1-CG 4.03Å; F351-F378 HydrophobicContact CE2-CB 4.45Å; F351-F378 AromaticContact CG-CD2 3.98Å; F351-F378 HydrophobicContact CG-CD2 3.98Å; F351-F378 HydrophobicContact CG-CE2 4.23Å; F351-F378 HydrophobicContact CG-CG 4.23Å; F351-F378 HydrophobicContact CZ-CB 4.08Å; F351-F378 HydrophobicContact CZ-CG 4.47Å; F351-I380 HydrophobicContact CE2-CD1 4.25Å; F351-I380 HydrophobicContact CE2-CG1 4.01Å; F351-I380 HydrophobicContact CZ-CG1 4.19Å; F351-W457 HydrophobicContact CB-CE3 4.2Å; F351-W457 HydrophobicContact CB-CH2 3.57Å; F351-W457 HydrophobicContact CB-CZ2 3.9Å; F351-W457 HydrophobicContact CB-CZ3 3.66Å; F351-W457 HydrophobicContact CD2-CE3 4.45Å; F351-W457 AromaticContact CD2-CH2 3.39Å; F351-W457 HydrophobicContact CD2-CH2 3.39Å; F351-W457 HydrophobicContact CD2-CZ2 4.47Å; F351-W457 AromaticContact CD2-CZ3 3.32Å; F351-W457 HydrophobicContact CD2-CZ3 3.32Å; F351-W457 HydrophobicContact CE2-CH2 4.48Å; F351-W457 HydrophobicContact CE2-CZ3 4.27Å; F351-W457 AromaticContact CG-CH2 3.94Å; F351-W457 HydrophobicContact CG-CH2 3.94Å; F351-W457 AromaticContact CG-CZ3 3.88Å; F351-W457 HydrophobicContact CG-CZ3 3.88Å
352	K	84.6	Confident	82.4	Confident	61 Å²	61	66.6 Å²	66.6	27%	0.265	34%	0.338	S	S	.	.	H	α-helix	trans	-56.2	-44.1	176.6	-73.2	-178.8	179.6	-152	0	111.7	E304 A348 Q349 E354 M355 Q356 F372	E304-K352 IonicContact OE1-NZ 3.87Å; E304-K352 WeakPolarHBondContact OE2-CE 3.3Å; E304-K352 IonicContact OE2-NZ 2.75Å; E304-K352 PolarHBondContact OE2-NZ 3.17Å; A348-K352 WeakPolarHBondContact O-CG 3.34Å; A348-K352 PolarHBondContact O-N 3.22Å; Q349-K352 PolarHBondContact O-N 2.88Å; K352-E354 PolarHBondContact O-N 3.47Å; K352-M355 PolarHBondContact O-N 2.71Å; K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.33Å; K352-Q356 PolarHBondContact O-N 2.83Å; K352-F372 HydrophobicContact CG-CE2 4.02Å; K352-F372 HydrophobicContact CG-CZ 4.15Å
353	N	82.3	Confident	83.5	Confident	89 Å²	89	60.5 Å²	60.5	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177.9	-68.8	-14.1	0	0	0	112.2	Q349 A350 F351 Q356	Q349-N353 PolarHBondContact NE2-OD1 3.05Å; Q349-N353 PolarHBondContact O-N 3.41Å; Q349-N353 PolarHBondContact O-ND2 2.97Å; Q349-N353 PolarHBondContact O-OD1 2.68Å; A350-N353 PolarHBondContact O-N 2.87Å; F351-N353 VanDerWaalsContact C-N 3.28Å; F351-N353 PolarHBondContact O-N 3.16Å; N353-Q356 WeakPolarHBondContact O-CB 3.49Å; N353-Q356 PolarHBondContact O-N 2.77Å
354	E	81.1	Confident	84.5	Confident	20 Å²	20	62.3 Å²	62.3	9%	0.093	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-37.5	176.9	-67.8	-166.8	-169.3	0	0	111.6	A350 F351 K352 Q356 V357 L358 T452 V453 R456 W457	A350-E354 PolarHBondContact O-N 2.96Å; F351-E354 PolarHBondContact O-N 3.4Å; F351-E354 VanDerWaalsContact O-N 3.13Å; K352-E354 PolarHBondContact O-N 3.47Å; E354-Q356 PolarHBondContact O-N 3.11Å; E354-V357 WeakPolarHBondContact O-CB 3.44Å; E354-V357 PolarHBondContact O-N 3.24Å; E354-L358 PolarHBondContact O-N 3.26Å; E354-T452 WeakPolarHBondContact OE1-CB 3.32Å; E354-T452 PolarHBondContact OE1-OG1 3.34Å; E354-T452 PolarHBondContact OE2-OG1 2.76Å; E354-V453 WeakPolarHBondContact OE2-CG2 3.44Å; E354-V453 PolarHBondContact OE2-N 2.96Å; E354-R456 IonicContact OE1-NH1 3.06Å; E354-R456 PolarHBondContact OE1-NH1 2.98Å; E354-W457 HydrophobicContact CB-CH2 4.39Å; E354-W457 HydrophobicContact CB-CZ2 4.23Å; E354-W457 HydrophobicContact CG-CZ2 4.04Å
355	M	86.4	Confident	85.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-30.6	172.9	-62.4	-54.4	95.9	0	0	112.3	F351 K352 V357 L358 R359 F369 F372 I380	F351-M355 HydrophobicContact CD2-CE 3.92Å; F351-M355 HydrophobicContact CD2-CG 4.03Å; F351-M355 HydrophobicContact CD2-SD 4.28Å; F351-M355 HydrophobicContact CE1-CG 4.28Å; F351-M355 HydrophobicContact CE2-CE 3.69Å; F351-M355 HydrophobicContact CE2-CG 3.77Å; F351-M355 HydrophobicContact CE2-SD 3.63Å; F351-M355 HydrophobicContact CG-CG 4.45Å; F351-M355 HydrophobicContact CZ-CG 3.92Å; F351-M355 HydrophobicContact CZ-SD 4Å; F351-M355 WeakPolarHBondContact O-CG 3.36Å; F351-M355 PolarHBondContact O-N 2.91Å; K352-M355 PolarHBondContact O-N 2.71Å; M355-V357 PolarHBondContact O-N 3Å; M355-L358 HydrophobicContact CE-CD1 3.43Å; M355-L358 VanDerWaalsContact CE-CD1 3.43Å; M355-L358 HydrophobicContact CE-CG 4.3Å; M355-L358 PolarHBondContact O-N 3.01Å; M355-L358 HydrophobicContact SD-CD1 3.98Å; M355-R359 PolarHBondContact O-N 2.75Å; M355-F369 HydrophobicContact CB-CZ 4.21Å; M355-F369 HydrophobicContact CG-CZ 4.45Å; M355-F369 HydrophobicContact SD-CE2 3.6Å; M355-F369 HydrophobicContact SD-CZ 3.93Å; M355-F372 HydrophobicContact CB-CD1 3.63Å; M355-F372 HydrophobicContact CB-CE1 3.84Å; M355-F372 HydrophobicContact CB-CG 4.15Å; M355-F372 HydrophobicContact CG-CB 3.91Å; M355-F372 HydrophobicContact CG-CD1 3.72Å; M355-F372 HydrophobicContact CG-CD2 4.26Å; M355-F372 HydrophobicContact CG-CE1 4.27Å; M355-F372 HydrophobicContact CG-CG 3.7Å; M355-F372 HydrophobicContact SD-CB 4.05Å; M355-F372 HydrophobicContact SD-CG 4.48Å; M355-I380 HydrophobicContact CE-CD1 3.95Å; M355-I380 HydrophobicContact SD-CD1 4.03Å; M355-I380 HydrophobicContact SD-CG1 3.98Å
356	Q	82.1	Confident	85.8	Confident	33 Å²	33	55.1 Å²	55.1	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-21.6	173.4	-62.2	-46.1	-61.6	0	0	113.3	K352 N353 E354 R359	K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.33Å; K352-Q356 PolarHBondContact O-N 2.83Å; N353-Q356 WeakPolarHBondContact O-CB 3.49Å; N353-Q356 PolarHBondContact O-N 2.77Å; E354-Q356 PolarHBondContact O-N 3.11Å; Q356-R359 VanDerWaalsContact O-CG 3.28Å; Q356-R359 WeakPolarHBondContact O-CG 3.4Å; Q356-R359 PolarHBondContact O-NE 3.15Å
357	V	81.2	Confident	86.3	Confident	71 Å²	71	48.1 Å²	48.1	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-82.2	-48.7	173.3	-179	0	0	0	0	109.6	E354 M355 R359 K360 I425	E354-V357 WeakPolarHBondContact O-CB 3.44Å; E354-V357 PolarHBondContact O-N 3.24Å; M355-V357 PolarHBondContact O-N 3Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 3.31Å; V357-K360 PolarHBondContact O-N 2.85Å; V357-K360 VanDerWaalsContact O-N 3.13Å; V357-I425 HydrophobicContact CG1-CD1 3.79Å; V357-I425 HydrophobicContact CG1-CG1 3.87Å
358	L	82.1	Confident	86.9	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-38.5	-178.9	-61.8	-176.5	0	0	0	112.8	E354 M355 K360 T361 F369 F448 L450	E354-L358 PolarHBondContact O-N 3.26Å; M355-L358 HydrophobicContact CE-CD1 3.43Å; M355-L358 VanDerWaalsContact CE-CD1 3.43Å; M355-L358 HydrophobicContact CE-CG 4.3Å; M355-L358 PolarHBondContact O-N 3.01Å; M355-L358 HydrophobicContact SD-CD1 3.98Å; L358-K360 PolarHBondContact O-N 3.4Å; L358-T361 WeakPolarHBondContact O-CB 3.05Å; L358-T361 PolarHBondContact O-N 3.45Å; L358-T361 PolarHBondContact O-OG1 3.26Å; L358-F369 HydrophobicContact CB-CD2 3.93Å; L358-F369 HydrophobicContact CB-CE2 4.24Å; L358-F369 HydrophobicContact CB-CG 4.13Å; L358-F369 HydrophobicContact CD1-CD2 4.27Å; L358-F369 HydrophobicContact CD1-CE2 4.34Å; L358-F448 HydrophobicContact CD2-CD2 3.61Å; L358-F448 HydrophobicContact CD2-CE2 3.28Å; L358-F448 HydrophobicContact CD2-CZ 4.13Å; L358-L450 HydrophobicContact CD1-CD2 4.39Å
359	R	82.8	Confident	87.4	Confident	59 Å²	59	49.2 Å²	49.2	22%	0.223	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.3	177.5	72.3	178.1	169	150.4	-15.3	114.3	S299 M355 Q356 V357 T361 F369	S299-R359 PolarHBondContact OG-NH1 3.07Å; M355-R359 PolarHBondContact O-N 2.75Å; Q356-R359 VanDerWaalsContact O-CG 3.28Å; Q356-R359 WeakPolarHBondContact O-CG 3.4Å; Q356-R359 PolarHBondContact O-NE 3.15Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 3.31Å; R359-T361 PolarHBondContact O-N 3.42Å; R359-F369 HydrophobicContact CB-CD1 4.12Å; R359-F369 HydrophobicContact CB-CE1 4.07Å
360	K	83	Confident	87.8	Confident	133 Å²	133	46.6 Å²	46.6	58%	0.578	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.5	-178.5	-61.9	-178.4	-177.2	178.7	0	111.9	V357 L358 Y419	V357-K360 PolarHBondContact O-N 2.85Å; V357-K360 VanDerWaalsContact O-N 3.13Å; L358-K360 PolarHBondContact O-N 3.4Å; K360-Y419 PolarHBondContact O-OH 3.26Å; K360-Y419 VanDerWaalsContact O-OH 3.09Å
361	T	89.8	Confident	88.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	21%	0.214	C	C	.	.			trans	-87.8	117.8	178.2	65.3	0	0	0	0	110.6	L358 R359 Y419 L420 I425 F448	L358-T361 WeakPolarHBondContact O-CB 3.05Å; L358-T361 PolarHBondContact O-N 3.45Å; L358-T361 PolarHBondContact O-OG1 3.26Å; R359-T361 PolarHBondContact O-N 3.42Å; T361-Y419 WeakPolarHBondContact CA-OH 3.43Å; T361-Y419 HydrophobicContact CG2-CE1 4.27Å; T361-L420 HydrophobicContact CG2-CD2 4.18Å; T361-I425 HydrophobicContact CG2-CD1 3.62Å; T361-F448 HydrophobicContact CG2-CE2 3.81Å; T361-F448 HydrophobicContact CG2-CZ 4.22Å
362	R	92.1	Very high	88.8	Confident	183 Å²	183	45.4 Å²	45.4	69%	0.691	22%	0.215	S	C	*	.			trans	-144.1	102	174.7	-73.5	-169.3	174.3	-165.6	-3.4	108.3	Y419	R362-Y419 PolarHBondContact N-OH 3.44Å
363	H	95.3	Very high	89.2	Confident	57 Å²	57	43 Å²	43	26%	0.264	21%	0.205	S	C	.	.			trans	-154.1	146.6	180	-175.5	-97.5	0	0	0	109.3	N365 I366 Y419	H363-N365 PolarHBondContact CE1-OD1 3.15Å; H363-N365 PolarHBondContact ND1-N 3.02Å; H363-N365 PolarHBondContact O-N 3.35Å; H363-I366 HydrophobicContact CB-CB 4.14Å; H363-I366 HydrophobicContact CB-CG1 3.85Å; H363-I366 PolarHBondContact O-N 2.87Å; H363-I366 VanDerWaalsContact O-N 3.09Å; H363-Y419 HydrophobicContact CB-CD1 3.72Å; H363-Y419 HydrophobicContact CB-CD2 3.87Å; H363-Y419 HydrophobicContact CB-CE1 3.99Å; H363-Y419 HydrophobicContact CB-CE2 4.1Å; H363-Y419 HydrophobicContact CB-CG 3.69Å; H363-Y419 AromaticContact CD2-CD2 3.8Å; H363-Y419 AromaticContact CD2-CG 3.94Å; H363-Y419 AromaticContact CG-CG 3.79Å
364	V	95.6	Very high	89.5	Confident	80 Å²	80	39.9 Å²	39.9	49%	0.485	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.9	-176.9	64.5	0	0	0	0	112	T442 K444	V364-T442 HydrophobicContact CG2-CG2 4.2Å; V364-K444 VanDerWaalsContact O-CD 3.31Å; V364-K444 WeakPolarHBondContact O-CD 3.43Å; V364-K444 VanDerWaalsContact O-CE 3.28Å; V364-K444 WeakPolarHBondContact O-CE 3.42Å; V364-K444 PolarHBondContact O-NZ 3.43Å
365	N	97.2	Very high	89.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.011	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.5	179.6	-55.3	117	0	0	0	115.9	H363 Q412 V443 I445	H363-N365 PolarHBondContact CE1-OD1 3.15Å; H363-N365 PolarHBondContact ND1-N 3.02Å; H363-N365 PolarHBondContact O-N 3.35Å; N365-Q412 WeakPolarHBondContact CB-O 3.28Å; N365-Q412 PolarHBondContact ND2-OE1 3.42Å; N365-Q412 PolarHBondContact OD1-O 2.89Å; N365-V443 WeakPolarHBondContact CA-O 3.31Å; N365-V443 PolarHBondContact ND2-O 2.92Å; N365-I445 WeakPolarHBondContact O-CG1 3.37Å; N365-I445 PolarHBondContact O-N 3.28Å
366	I	95.1	Very high	89.4	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-111.4	136	175.1	-62.1	-56.1	0	0	0	108.7	H363 L368 G416 Y419 L420 I445 F448	H363-I366 HydrophobicContact CB-CB 4.14Å; H363-I366 HydrophobicContact CB-CG1 3.85Å; H363-I366 PolarHBondContact O-N 2.87Å; H363-I366 VanDerWaalsContact O-N 3.09Å; I366-L368 PolarHBondContact O-N 3.06Å; I366-G416 WeakPolarHBondContact CD1-O 3.44Å; I366-Y419 HydrophobicContact CG1-CD1 3.95Å; I366-L420 HydrophobicContact CD1-CD1 3.82Å; I366-L420 HydrophobicContact CD1-CD2 4.01Å; I366-L420 HydrophobicContact CD1-CG 3.72Å; I366-L420 HydrophobicContact CG1-CD2 4.32Å; I366-L420 HydrophobicContact CG1-CG 4.42Å; I366-I445 HydrophobicContact CD1-CB 3.97Å; I366-I445 HydrophobicContact CD1-CD1 4.24Å; I366-F448 HydrophobicContact CG2-CD1 4.28Å; I366-F448 HydrophobicContact CG2-CE1 3.37Å; I366-F448 HydrophobicContact CG2-CE2 4.46Å; I366-F448 HydrophobicContact CG2-CZ 3.47Å; I366-F448 VanDerWaalsContact CG2-CZ 3.47Å
367	L	93.1	Very high	89.5	Confident	16 Å²	16	53.4 Å²	53.4	8%	0.084	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.3	121.6	175.5	-167.7	72.4	0	0	0	109	F369 T382 Q383 C385 K444 I445	L367-F369 PolarHBondContact O-N 3.42Å; L367-F369 VanDerWaalsContact O-N 3.13Å; L367-T382 HydrophobicContact CD2-CG2 4.16Å; L367-Q383 HydrophobicContact CD1-CG 3.48Å; L367-Q383 VanDerWaalsContact CD1-CG 3.48Å; L367-Q383 HydrophobicContact CG-CG 4Å; L367-C385 WeakPolarHBondContact CD1-SG 3.39Å; L367-K444 HydrophobicContact CD1-CB 4.12Å; L367-I445 VanDerWaalsContact CB-O 3.29Å; L367-I445 WeakPolarHBondContact CB-O 3.28Å; L367-I445 PolarHBondContact N-O 3.41Å
368	L	92.2	Very high	89.9	Confident	67 Å²	67	50.1 Å²	50.1	35%	0.351	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-64.3	117.2	-174.9	-179.8	62.8	0	0	0	110.8	I366 M370 T382 Q383	I366-L368 PolarHBondContact O-N 3.06Å; L368-M370 HydrophobicContact CD2-CE 4.08Å; L368-M370 HydrophobicContact CD2-CG 4.42Å; L368-M370 HydrophobicContact CG-CG 4.27Å; L368-T382 CarbonylContact O-C 3.53Å; L368-T382 VanDerWaalsContact O-CA 3.26Å; L368-T382 WeakPolarHBondContact O-CA 3.23Å; L368-T382 WeakPolarHBondContact O-CB 3.36Å; L368-Q383 HydrophobicContact CB-CB 4.11Å; L368-Q383 HydrophobicContact CB-CG 3.94Å; L368-Q383 PolarHBondContact O-N 3.37Å
369	F	92.3	Very high	90.4	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.3	166	178.7	-90.8	0	0	0	109.6	M355 L358 R359 L367 G371 F372 I380	M355-F369 HydrophobicContact CB-CZ 4.21Å; M355-F369 HydrophobicContact CG-CZ 4.45Å; M355-F369 HydrophobicContact SD-CE2 3.6Å; M355-F369 HydrophobicContact SD-CZ 3.93Å; L358-F369 HydrophobicContact CB-CD2 3.93Å; L358-F369 HydrophobicContact CB-CE2 4.24Å; L358-F369 HydrophobicContact CB-CG 4.13Å; L358-F369 HydrophobicContact CD1-CD2 4.27Å; L358-F369 HydrophobicContact CD1-CE2 4.34Å; R359-F369 HydrophobicContact CB-CD1 4.12Å; R359-F369 HydrophobicContact CB-CE1 4.07Å; L367-F369 PolarHBondContact O-N 3.42Å; L367-F369 VanDerWaalsContact O-N 3.13Å; F369-G371 WeakPolarHBondContact CE2-O 3.06Å; F369-G371 WeakPolarHBondContact CZ-O 3.43Å; F369-F372 HydrophobicContact CZ-CB 4.28Å; F369-F372 HydrophobicContact CZ-CD1 4.05Å; F369-I380 HydrophobicContact CD2-CG2 4.05Å; F369-I380 HydrophobicContact CE2-CG2 3.9Å
370	M	92.4	Very high	90.8	Very high	49 Å²	49	47.2 Å²	47.2	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-33.3	-175.4	-72.4	-176.6	164.9	0	0	112.5	W329 V333 L368 I381 Q383	W329-M370 HydrophobicContact CZ3-CB 4Å; V333-M370 HydrophobicContact CG1-SD 3.62Å; L368-M370 HydrophobicContact CD2-CE 4.08Å; L368-M370 HydrophobicContact CD2-CG 4.42Å; L368-M370 HydrophobicContact CG-CG 4.27Å; M370-I381 HydrophobicContact CB-CG2 4.14Å; M370-I381 WeakPolarHBondContact CB-O 3.34Å; M370-I381 PolarHBondContact N-O 3.36Å; M370-Q383 HydrophobicContact CE-CB 3.68Å; M370-Q383 HydrophobicContact SD-CB 4.49Å
371	G	92.3	Very high	91.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-175.8	179.7	0	0	0	0	0	112.2	W303 F369 I381	W303-G371 WeakPolarHBondContact O-CA 3.35Å; F369-G371 WeakPolarHBondContact CE2-O 3.06Å; F369-G371 WeakPolarHBondContact CZ-O 3.43Å; G371-I381 PolarHBondContact N-O 3.21Å; G371-I381 PolarHBondContact O-N 3.11Å
372	F	92.8	Very high	91.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	162.8	176.5	67.7	-88.6	0	0	0	110.9	W303 E304 V305 F351 K352 M355 F369 T374 A379	W303-F372 HydrophobicContact CB-CD1 4.25Å; W303-F372 HydrophobicContact CB-CE1 3.96Å; W303-F372 VanDerWaalsContact O-CD1 3.29Å; W303-F372 WeakPolarHBondContact O-CD1 3.25Å; W303-F372 PolarHBondContact O-N 3.19Å; E304-F372 CarbonylContact C-O 3.52Å; E304-F372 WeakPolarHBondContact CA-O 3.48Å; E304-F372 HydrophobicContact CB-CD2 4.46Å; E304-F372 HydrophobicContact CB-CE1 4.4Å; E304-F372 HydrophobicContact CB-CE2 3.79Å; E304-F372 HydrophobicContact CB-CZ 3.77Å; E304-F372 HydrophobicContact CG-CD2 4.36Å; E304-F372 HydrophobicContact CG-CE2 3.84Å; E304-F372 HydrophobicContact CG-CZ 4.34Å; V305-F372 PolarHBondContact N-O 3.3Å; F351-F372 HydrophobicContact CD1-CD2 4.3Å; F351-F372 HydrophobicContact CE1-CB 4.15Å; F351-F372 AromaticContact CE1-CD2 3.54Å; F351-F372 HydrophobicContact CE1-CD2 3.54Å; F351-F372 HydrophobicContact CE1-CE2 4.31Å; F351-F372 HydrophobicContact CE1-CG 4.16Å; F351-F372 HydrophobicContact CZ-CB 3.85Å; F351-F372 HydrophobicContact CZ-CD2 4.13Å; F351-F372 HydrophobicContact CZ-CG 4.3Å; K352-F372 HydrophobicContact CG-CE2 4.02Å; K352-F372 HydrophobicContact CG-CZ 4.15Å; M355-F372 HydrophobicContact CB-CD1 3.63Å; M355-F372 HydrophobicContact CB-CE1 3.84Å; M355-F372 HydrophobicContact CB-CG 4.15Å; M355-F372 HydrophobicContact CG-CB 3.91Å; M355-F372 HydrophobicContact CG-CD1 3.72Å; M355-F372 HydrophobicContact CG-CD2 4.26Å; M355-F372 HydrophobicContact CG-CE1 4.27Å; M355-F372 HydrophobicContact CG-CG 3.7Å; M355-F372 HydrophobicContact SD-CB 4.05Å; M355-F372 HydrophobicContact SD-CG 4.48Å; F369-F372 HydrophobicContact CZ-CB 4.28Å; F369-F372 HydrophobicContact CZ-CD1 4.05Å; F372-T374 HydrophobicContact CD2-CG2 4.17Å; F372-T374 HydrophobicContact CE2-CG2 3.94Å; F372-A379 CarbonylContact C-O 3.42Å; F372-A379 WeakPolarHBondContact CA-O 3.43Å; F372-A379 WeakPolarHBondContact CB-O 3.43Å
373	M	91.6	Very high	91.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.059	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.2	172.4	-48.1	-170.4	-49.2	0	0	109.5	V305 P307 V310 F378 A379 I381	V305-M373 HydrophobicContact CB-CG 4.39Å; V305-M373 WeakPolarHBondContact O-CG 3.41Å; P307-M373 HydrophobicContact CB-SD 4.45Å; P307-M373 HydrophobicContact CG-SD 4.46Å; V310-M373 HydrophobicContact CB-SD 4.29Å; V310-M373 HydrophobicContact CG2-SD 4.05Å; M373-F378 WeakPolarHBondContact O-CA 3.29Å; M373-A379 HydrophobicContact CB-CB 4.12Å; M373-A379 HydrophobicContact CE-CB 3.61Å; M373-A379 HydrophobicContact CG-CB 4.33Å; M373-A379 PolarHBondContact N-O 2.61Å; M373-A379 PolarHBondContact O-N 2.75Å; M373-I381 HydrophobicContact CG-CD1 4.04Å; M373-I381 HydrophobicContact SD-CD1 4.45Å
374	T	88.3	Confident	91.5	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.141	18%	0.178	C	C	.	.			trans	-108.9	-13.5	173.6	65.3	0	0	0	0	114.1	E304 F351 F372 G377 F378	E304-T374 WeakPolarHBondContact OE1-CB 3.31Å; E304-T374 VanDerWaalsContact OE1-CG2 3.26Å; E304-T374 WeakPolarHBondContact OE1-CG2 3.34Å; E304-T374 PolarHBondContact OE1-OG1 2.94Å; F351-T374 HydrophobicContact CD1-CG2 4.27Å; F351-T374 HydrophobicContact CE1-CG2 4.25Å; F372-T374 HydrophobicContact CD2-CG2 4.17Å; F372-T374 HydrophobicContact CE2-CG2 3.94Å; T374-G377 CarbonylContact C-O 3.36Å; T374-F378 HydrophobicContact CG2-CE1 4.42Å
375	R	84.6	Confident	91.2	Very high	185 Å²	185	31.3 Å²	31.3	70%	0.698	16%	0.161	S	C	*	.	S	Bend	trans	-129.6	149.9	-179.7	-55.1	-171.8	-140	-176.3	6.2	109.6	P307	P307-R375 HydrophobicContact CG-CB 4.43Å; P307-R375 WeakPolarHBondContact CG-O 3.4Å
376	P	80.8	Confident	90.7	Very high	134 Å²	134	36.5 Å²	36.5	87%	0.87	19%	0.185	S	C	*	.	S	Bend	cis	-67.6	-9.1	-12.4	31.1	-35.9	0	0	0	113.3
377	G	84.7	Confident	90.1	Very high	18 Å²	18	37.7 Å²	37.7	19%	0.186	20%	0.198	C	C	.	.	S	Bend	trans	-150.5	176.3	169.6	0	0	0	0	0	110.1	T374 A379	T374-G377 CarbonylContact C-O 3.36Å; G377-A379 PolarHBondContact O-N 2.81Å
378	F	90.1	Very high	90	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	21%	0.21	C	C	.	.			trans	-69.4	129.2	179.2	-64	-12.2	0	0	0	110.7	L338 V340 P343 A348 F351 M373 T374 W457	L338-F378 HydrophobicContact CB-CB 4.2Å; L338-F378 HydrophobicContact CD1-CB 3.98Å; L338-F378 HydrophobicContact CG-CB 4.34Å; L338-F378 PolarHBondContact N-O 3.4Å; V340-F378 HydrophobicContact CG2-CD2 4.25Å; P343-F378 HydrophobicContact CB-CD2 4.43Å; P343-F378 HydrophobicContact CB-CE1 3.89Å; P343-F378 HydrophobicContact CB-CE2 3.54Å; P343-F378 HydrophobicContact CB-CZ 3.2Å; P343-F378 HydrophobicContact CG-CD1 4.2Å; P343-F378 HydrophobicContact CG-CE1 3.56Å; P343-F378 HydrophobicContact CG-CE2 4.05Å; P343-F378 HydrophobicContact CG-CZ 3.45Å; P343-F378 VanDerWaalsContact CG-CZ 3.45Å; A348-F378 VanDerWaalsContact CA-CZ 3.4Å; A348-F378 HydrophobicContact CB-CE1 4.12Å; A348-F378 HydrophobicContact CB-CZ 3.7Å; F351-F378 HydrophobicContact CB-CD2 4.14Å; F351-F378 HydrophobicContact CB-CE2 3.92Å; F351-F378 HydrophobicContact CB-CZ 4.37Å; F351-F378 HydrophobicContact CD1-CB 4.4Å; F351-F378 HydrophobicContact CD1-CD1 4Å; F351-F378 HydrophobicContact CD1-CD2 4.09Å; F351-F378 HydrophobicContact CD1-CE1 4.27Å; F351-F378 HydrophobicContact CD1-CE2 4.37Å; F351-F378 AromaticContact CD1-CG 3.9Å; F351-F378 HydrophobicContact CD1-CG 3.9Å; F351-F378 HydrophobicContact CD1-CZ 4.46Å; F351-F378 HydrophobicContact CD2-CD2 4.43Å; F351-F378 HydrophobicContact CE1-CB 4.06Å; F351-F378 HydrophobicContact CE1-CD1 4.17Å; F351-F378 HydrophobicContact CE1-CG 4.03Å; F351-F378 HydrophobicContact CE2-CB 4.45Å; F351-F378 AromaticContact CG-CD2 3.98Å; F351-F378 HydrophobicContact CG-CD2 3.98Å; F351-F378 HydrophobicContact CG-CE2 4.23Å; F351-F378 HydrophobicContact CG-CG 4.23Å; F351-F378 HydrophobicContact CZ-CB 4.08Å; F351-F378 HydrophobicContact CZ-CG 4.47Å; M373-F378 WeakPolarHBondContact O-CA 3.29Å; T374-F378 HydrophobicContact CG2-CE1 4.42Å; F378-W457 HydrophobicContact CD2-CE3 4.39Å
379	A	91.9	Very high	90.1	Very high	1 Å²	1	37 Å²	37	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.4	174.7	0	0	0	0	0	111.3	V335 K336 V337 F372 M373 G377	V335-A379 HydrophobicContact CG1-CB 4.1Å; K336-A379 CarbonylContact O-C 3.59Å; K336-A379 WeakPolarHBondContact O-CA 3.49Å; V337-A379 HydrophobicContact CG2-CB 4.32Å; F372-A379 CarbonylContact C-O 3.42Å; F372-A379 WeakPolarHBondContact CA-O 3.43Å; F372-A379 WeakPolarHBondContact CB-O 3.43Å; M373-A379 HydrophobicContact CB-CB 4.12Å; M373-A379 HydrophobicContact CE-CB 3.61Å; M373-A379 HydrophobicContact CG-CB 4.33Å; M373-A379 PolarHBondContact N-O 2.61Å; M373-A379 PolarHBondContact O-N 2.75Å; G377-A379 PolarHBondContact O-N 2.81Å
380	I	92.4	Very high	90.3	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132	176	-60.4	178.3	0	0	0	108.1	V335 K336 L338 F351 M355 F369 T382 L450	V335-I380 WeakPolarHBondContact CA-O 3.48Å; K336-I380 PolarHBondContact N-O 3.41Å; K336-I380 PolarHBondContact O-N 2.97Å; L338-I380 HydrophobicContact CD1-CD1 4.39Å; F351-I380 HydrophobicContact CE2-CD1 4.25Å; F351-I380 HydrophobicContact CE2-CG1 4.01Å; F351-I380 HydrophobicContact CZ-CG1 4.19Å; M355-I380 HydrophobicContact CE-CD1 3.95Å; M355-I380 HydrophobicContact SD-CD1 4.03Å; M355-I380 HydrophobicContact SD-CG1 3.98Å; F369-I380 HydrophobicContact CD2-CG2 4.05Å; F369-I380 HydrophobicContact CE2-CG2 3.9Å; I380-T382 HydrophobicContact CG2-CG2 4.1Å; I380-L450 HydrophobicContact CD1-CD1 4.3Å; I380-L450 HydrophobicContact CD1-CD2 3.27Å; I380-L450 HydrophobicContact CD1-CG 4.43Å
381	I	93.8	Very high	90.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.3	179.9	-52.2	172	0	0	0	107.7	V305 V310 W329 V333 V335 M370 G371 M373	V305-I381 HydrophobicContact CB-CD1 3.83Å; V305-I381 HydrophobicContact CG1-CD1 4.14Å; V305-I381 HydrophobicContact CG2-CD1 3.83Å; V310-I381 HydrophobicContact CG2-CD1 3.79Å; W329-I381 HydrophobicContact CE3-CG2 4.25Å; V333-I381 HydrophobicContact CB-CG2 3.89Å; V333-I381 HydrophobicContact CG1-CG2 4.12Å; V333-I381 HydrophobicContact CG2-CG2 4.04Å; V335-I381 HydrophobicContact CG1-CG1 4.45Å; V335-I381 HydrophobicContact CG2-CG1 4.49Å; M370-I381 HydrophobicContact CB-CG2 4.14Å; M370-I381 WeakPolarHBondContact CB-O 3.34Å; M370-I381 PolarHBondContact N-O 3.36Å; G371-I381 PolarHBondContact N-O 3.21Å; G371-I381 PolarHBondContact O-N 3.11Å; M373-I381 HydrophobicContact CG-CD1 4.04Å; M373-I381 HydrophobicContact SD-CD1 4.45Å
382	T	93.8	Very high	90.5	Very high	24 Å²	24	40.8 Å²	40.8	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.5	178.6	51.5	0	0	0	0	110.2	A334 L367 L368 I380 W384	A334-T382 PolarHBondContact N-O 3.17Å; A334-T382 PolarHBondContact O-N 3.01Å; A334-T382 PolarHBondContact O-OG1 2.97Å; L367-T382 HydrophobicContact CD2-CG2 4.16Å; L368-T382 CarbonylContact O-C 3.53Å; L368-T382 VanDerWaalsContact O-CA 3.26Å; L368-T382 WeakPolarHBondContact O-CA 3.23Å; L368-T382 WeakPolarHBondContact O-CB 3.36Å; I380-T382 HydrophobicContact CG2-CG2 4.1Å; T382-W384 PolarHBondContact O-N 3.36Å
383	Q	93.1	Very high	90.6	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.131	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	142.1	171.8	64.5	171.6	60.9	0	0	111.1	L367 L368 M370	L367-Q383 HydrophobicContact CD1-CG 3.48Å; L367-Q383 VanDerWaalsContact CD1-CG 3.48Å; L367-Q383 HydrophobicContact CG-CG 4Å; L368-Q383 HydrophobicContact CB-CB 4.11Å; L368-Q383 HydrophobicContact CB-CG 3.94Å; L368-Q383 PolarHBondContact O-N 3.37Å; M370-Q383 HydrophobicContact CE-CB 3.68Å; M370-Q383 HydrophobicContact SD-CB 4.49Å
384	W	92.8	Very high	90.7	Very high	53 Å²	53	42.5 Å²	42.5	20%	0.201	22%	0.223	C	C	.	.			trans	-70.4	143.1	165.7	-178.2	-109.2	0	0	0	110.2	I316 R326 D332 A334 T382 E386	I316-W384 HydrophobicContact CD1-CH2 3.8Å; I316-W384 HydrophobicContact CD1-CZ3 4.3Å; I316-W384 HydrophobicContact CG1-CH2 3.97Å; I316-W384 HydrophobicContact CG1-CZ3 4.01Å; R326-W384 HydrophobicContact CB-CE3 4.28Å; R326-W384 HydrophobicContact CB-CH2 4.09Å; R326-W384 HydrophobicContact CB-CZ3 3.79Å; R326-W384 HydrophobicContact CG-CD2 4.33Å; R326-W384 HydrophobicContact CG-CE3 4.02Å; R326-W384 HydrophobicContact CG-CH2 4.21Å; R326-W384 HydrophobicContact CG-CZ2 4.47Å; R326-W384 HydrophobicContact CG-CZ3 3.96Å; D332-W384 HydrophobicContact CB-CB 3.96Å; D332-W384 HydrophobicContact CB-CG 4.13Å; D332-W384 VanDerWaalsContact O-CB 3.32Å; D332-W384 WeakPolarHBondContact O-CB 3.28Å; A334-W384 HydrophobicContact CB-CE3 4.14Å; T382-W384 PolarHBondContact O-N 3.36Å; W384-E386 PolarHBondContact NE1-OE1 2.71Å
385	C	90.4	Very high	91	Very high	17 Å²	17	43.8 Å²	43.8	12%	0.115	23%	0.227	C	C	.	.			trans	-116.5	117.5	172	-74.7	0	0	0	0	108.2	L367 G387	L367-C385 WeakPolarHBondContact CD1-SG 3.39Å; C385-G387 VanDerWaalsContact C-N 3.25Å; C385-G387 PolarHBondContact O-N 2.81Å
386	E	85.8	Confident	91.4	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	22%	0.22	S	C	.	.	S	Bend	trans	-66.6	-25.7	176.8	-69.5	-66.1	159.1	0	0	113.3	W384	W384-E386 PolarHBondContact NE1-OE1 2.71Å
387	G	83.4	Confident	92	Very high	28 Å²	28	35.4 Å²	35.4	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	-85.7	179.3	178.1	0	0	0	0	0	114.2	C385 L437	C385-G387 VanDerWaalsContact C-N 3.25Å; C385-G387 PolarHBondContact O-N 2.81Å; G387-L437 WeakPolarHBondContact CA-O 3.49Å
388	S	90.2	Very high	92.2	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	22%	0.221	S	C	.	.			trans	-100.4	168.7	-176.7	-69.3	0	0	0	0	112.5	L437	S388-L437 PolarHBondContact O-N 2.74Å
389	S	94	Very high	92.2	Very high	21 Å²	21	42.5 Å²	42.5	15%	0.147	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-66.9	151.4	171.3	64.3	0	0	0	0	111.1	Y391 H392 H393 N433 I435	S389-Y391 PolarHBondContact O-N 2.88Å; S389-H392 WeakPolarHBondContact O-CB 3.49Å; S389-H392 PolarHBondContact O-N 2.89Å; S389-H392 PolarHBondContact OG-N 3.23Å; S389-H393 PolarHBondContact O-CD2 3.48Å; S389-H393 PolarHBondContact O-N 3.39Å; S389-H393 VanDerWaalsContact O-N 3.15Å; S389-N433 WeakPolarHBondContact CB-O 3.42Å; S389-I435 CarbonylContact C-O 3.6Å; S389-I435 VanDerWaalsContact CA-O 3.31Å; S389-I435 WeakPolarHBondContact CA-O 3.4Å
390	L	96.6	Very high	92.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-37.8	173.9	178.8	63	0	0	0	110.6	H392 H393 L394 V409 S432 I435 L437 V498 L502	L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.16Å; L390-H393 PolarHBondContact O-N 3.42Å; L390-L394 HydrophobicContact CD1-CD1 3.9Å; L390-L394 HydrophobicContact CD1-CD2 4.5Å; L390-L394 HydrophobicContact CD1-CG 3.97Å; L390-L394 HydrophobicContact CD2-CD1 4.39Å; L390-L394 HydrophobicContact CG-CD1 3.82Å; L390-L394 HydrophobicContact CG-CG 4.27Å; L390-L394 WeakPolarHBondContact O-CG 3.41Å; L390-L394 PolarHBondContact O-N 2.69Å; L390-V409 HydrophobicContact CD1-CG1 4.21Å; L390-V409 HydrophobicContact CD2-CG1 4.26Å; L390-S432 PolarHBondContact N-O 2.65Å; L390-I435 HydrophobicContact CB-CB 4.12Å; L390-I435 HydrophobicContact CB-CG2 4.09Å; L390-I435 HydrophobicContact CD2-CB 4.45Å; L390-I435 HydrophobicContact CD2-CD1 4.33Å; L390-I435 HydrophobicContact CD2-CG2 4.17Å; L390-I435 PolarHBondContact N-O 3.13Å; L390-L437 HydrophobicContact CD1-CD1 4.05Å; L390-L437 HydrophobicContact CD1-CG 4.47Å; L390-V498 HydrophobicContact CD2-CG1 3.94Å; L390-L502 HydrophobicContact CD1-CD2 3.92Å; L390-L502 HydrophobicContact CD2-CD2 4.08Å; L390-L502 HydrophobicContact CD2-CG 4.41Å
391	Y	95.3	Very high	92	Very high	66 Å²	66	54.7 Å²	54.7	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-56.2	-45.5	173.9	-176.3	-84.7	0	0	0	112.1	S389 L394 H395 V396 S432 N433 W472 L507	S389-Y391 PolarHBondContact O-N 2.88Å; Y391-L394 PolarHBondContact O-N 3.31Å; Y391-H395 AromaticContact CD2-CD2 3.52Å; Y391-H395 HydrophobicContact CE1-CB 4.31Å; Y391-H395 AromaticContact CE2-CD2 3.67Å; Y391-H395 AromaticContact CG-CD2 3.95Å; Y391-H395 WeakPolarHBondContact O-CB 3.48Å; Y391-H395 PolarHBondContact O-N 2.83Å; Y391-V396 HydrophobicContact CD1-CG2 4.38Å; Y391-V396 HydrophobicContact CE1-CG2 4.16Å; Y391-S432 WeakPolarHBondContact CB-OG 3.46Å; Y391-S432 WeakPolarHBondContact CD2-OG 3.24Å; Y391-S432 PolarHBondContact N-O 3Å; Y391-N433 VanDerWaalsContact CG-ND2 3.29Å; Y391-W472 HydrophobicContact CD2-CH2 4.44Å; Y391-W472 HydrophobicContact CE2-CH2 4.38Å; Y391-L507 HydrophobicContact CE2-CD1 4.07Å; Y391-L507 HydrophobicContact CE2-CD2 4.06Å
392	H	94.1	Very high	91.9	Very high	74 Å²	74	58.3 Å²	58.3	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-43.3	179.6	-174.9	80.7	0	0	0	111.1	S389 L390 V396 A397	S389-H392 WeakPolarHBondContact O-CB 3.49Å; S389-H392 PolarHBondContact O-N 2.89Å; S389-H392 PolarHBondContact OG-N 3.23Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 PolarHBondContact O-N 3.16Å; H392-V396 WeakPolarHBondContact O-CA 3.31Å; H392-V396 WeakPolarHBondContact O-CB 3.42Å; H392-V396 PolarHBondContact O-N 2.99Å; H392-V396 VanDerWaalsContact O-N 3.09Å; H392-A397 PolarHBondContact O-N 3.43Å
393	H	94.6	Very high	91.7	Very high	36 Å²	36	59 Å²	59	17%	0.167	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-44	177.4	-78.8	-73.5	0	0	0	112.9	S389 L390 D398 T399 F401	S389-H393 PolarHBondContact O-CD2 3.48Å; S389-H393 PolarHBondContact O-N 3.39Å; S389-H393 VanDerWaalsContact O-N 3.15Å; L390-H393 PolarHBondContact O-N 3.42Å; H393-D398 PolarHBondContact O-N 3.17Å; H393-T399 PolarHBondContact ND1-OG1 2.81Å; H393-T399 PolarHBondContact O-N 3.31Å; H393-T399 PolarHBondContact O-OG1 2.89Å; H393-F401 HydrophobicContact CB-CE2 3.88Å; H393-F401 HydrophobicContact CB-CZ 3.91Å
394	L	94.5	Very high	91.6	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.068	31%	0.313	C	S	.	.	H	α-helix	trans	-77.8	-42.5	-176.3	-64.6	177.5	0	0	0	113.1	L390 Y391 F401 E501 L502	L390-L394 HydrophobicContact CD1-CD1 3.9Å; L390-L394 HydrophobicContact CD1-CD2 4.5Å; L390-L394 HydrophobicContact CD1-CG 3.97Å; L390-L394 HydrophobicContact CD2-CD1 4.39Å; L390-L394 HydrophobicContact CG-CD1 3.82Å; L390-L394 HydrophobicContact CG-CG 4.27Å; L390-L394 WeakPolarHBondContact O-CG 3.41Å; L390-L394 PolarHBondContact O-N 2.69Å; Y391-L394 PolarHBondContact O-N 3.31Å; L394-F401 HydrophobicContact CD2-CD2 4.2Å; L394-F401 HydrophobicContact CD2-CE2 4.21Å; L394-E501 HydrophobicContact CD1-CB 3.91Å; L394-L502 HydrophobicContact CD1-CD2 4.24Å
395	H	94.3	Very high	91.7	Very high	51 Å²	51	61.2 Å²	61.2	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-114.9	-7.4	-164.9	-52.7	-63.3	0	0	0	114.7	Y391 E501	Y391-H395 AromaticContact CD2-CD2 3.52Å; Y391-H395 HydrophobicContact CE1-CB 4.31Å; Y391-H395 AromaticContact CE2-CD2 3.67Å; Y391-H395 AromaticContact CG-CD2 3.95Å; Y391-H395 WeakPolarHBondContact O-CB 3.48Å; Y391-H395 PolarHBondContact O-N 2.83Å; H395-E501 IonicContact CD2-OE1 2.68Å; H395-E501 IonicContact CE1-OE1 3.17Å; H395-E501 IonicContact NE2-OE1 3.83Å; H395-E501 PolarHBondContact NE2-OE1 3.03Å
396	V	93.9	Very high	91.9	Very high	90 Å²	90	61.3 Å²	61.3	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-53.2	-178.3	-175.8	0	0	0	0	111.5	Y391 H392	Y391-V396 HydrophobicContact CD1-CG2 4.38Å; Y391-V396 HydrophobicContact CE1-CG2 4.16Å; H392-V396 WeakPolarHBondContact O-CA 3.31Å; H392-V396 WeakPolarHBondContact O-CB 3.42Å; H392-V396 PolarHBondContact O-N 2.99Å; H392-V396 VanDerWaalsContact O-N 3.09Å
397	A	92	Very high	92.3	Very high	52 Å²	52	56 Å²	56	43%	0.43	29%	0.293	S	S	.	.	S	Bend	trans	-85.5	-13.2	-179.6	0	0	0	0	0	113.1	H392 T399	H392-A397 PolarHBondContact O-N 3.43Å; A397-T399 PolarHBondContact O-N 3.41Å
398	D	89.3	Confident	92.8	Very high	121 Å²	121	56.4 Å²	56.4	65%	0.647	29%	0.289	S	S	*	.			trans	47.3	47.5	-174.6	-166.7	27.5	0	0	0	112	H393 R400	H393-D398 PolarHBondContact O-N 3.17Å; D398-R400 PolarHBondContact O-N 3.04Å
399	T	90.9	Very high	93.1	Very high	49 Å²	49	54.2 Å²	54.2	30%	0.301	27%	0.274	S	S	.	.			trans	-66.5	124.7	-178.5	-55.9	0	0	0	0	109.4	H393 A397 F401	H393-T399 PolarHBondContact ND1-OG1 2.81Å; H393-T399 PolarHBondContact O-N 3.31Å; H393-T399 PolarHBondContact O-OG1 2.89Å; A397-T399 PolarHBondContact O-N 3.41Å; T399-F401 HydrophobicContact CG2-CD2 4.48Å; T399-F401 HydrophobicContact CG2-CE1 4Å; T399-F401 HydrophobicContact CG2-CE2 3.89Å; T399-F401 HydrophobicContact CG2-CZ 3.62Å; T399-F401 WeakPolarHBondContact O-CD2 3.46Å; T399-F401 PolarHBondContact O-N 3.42Å
400	R	88.8	Confident	93.3	Very high	230 Å²	230	53.2 Å²	53.2	87%	0.868	27%	0.267	S	S	*	.			trans	-79.6	110.9	178.4	-64.8	-174.5	177.5	-177.3	-0.6	110.7	D398	D398-R400 PolarHBondContact O-N 3.04Å
401	F	91.6	Very high	93.4	Very high	36 Å²	36	55.1 Å²	55.1	16%	0.158	27%	0.274	C	S	.	.			trans	-102	140.9	169.5	-60.9	-74.8	0	0	0	110.4	H393 L394 T399 Q405 L406 L437 L441	H393-F401 HydrophobicContact CB-CE2 3.88Å; H393-F401 HydrophobicContact CB-CZ 3.91Å; L394-F401 HydrophobicContact CD2-CD2 4.2Å; L394-F401 HydrophobicContact CD2-CE2 4.21Å; T399-F401 HydrophobicContact CG2-CD2 4.48Å; T399-F401 HydrophobicContact CG2-CE1 4Å; T399-F401 HydrophobicContact CG2-CE2 3.89Å; T399-F401 HydrophobicContact CG2-CZ 3.62Å; T399-F401 WeakPolarHBondContact O-CD2 3.46Å; T399-F401 PolarHBondContact O-N 3.42Å; F401-Q405 HydrophobicContact CB-CB 4.26Å; F401-Q405 HydrophobicContact CD1-CB 4.31Å; F401-L406 HydrophobicContact CB-CD1 4.48Å; F401-L406 HydrophobicContact CB-CD2 3.68Å; F401-L406 HydrophobicContact CB-CG 3.72Å; F401-L406 HydrophobicContact CD2-CD2 4.1Å; F401-L406 HydrophobicContact CG-CD2 4.14Å; F401-L437 HydrophobicContact CE1-CD1 4.19Å; F401-L437 HydrophobicContact CZ-CD1 3.74Å; F401-L441 HydrophobicContact CE1-CD2 3.86Å
402	D	91.1	Very high	93.5	Very high	76 Å²	76	52.8 Å²	52.8	41%	0.406	27%	0.265	S	S	.	.			trans	-75	165.6	165.7	73.4	35.4	0	0	0	111.2	V404 Q405 L406	D402-V404 PolarHBondContact O-N 3.09Å; D402-V404 WeakPolarHBondContact OD1-CA 3.48Å; D402-V404 WeakPolarHBondContact OD1-CB 3.45Å; D402-V404 PolarHBondContact OD1-N 3.39Å; D402-Q405 PolarHBondContact O-N 3.22Å; D402-Q405 WeakPolarHBondContact OD1-CB 3.33Å; D402-Q405 VanDerWaalsContact OD1-CG 3.31Å; D402-Q405 WeakPolarHBondContact OD1-CG 3.44Å; D402-Q405 PolarHBondContact OD1-N 3.24Å; D402-L406 WeakPolarHBondContact O-CG 3.24Å; D402-L406 PolarHBondContact O-N 3.12Å
403	M	90.1	Very high	93.7	Very high	37 Å²	37	49.2 Å²	49.2	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-32.1	-177.6	-169.6	59.9	60.7	0	0	112.5	I407 M503 N537	M403-I407 HydrophobicContact CG-CD1 3.72Å; M403-I407 WeakPolarHBondContact O-CB 3.4Å; M403-I407 VanDerWaalsContact O-CD1 3.24Å; M403-I407 WeakPolarHBondContact O-CD1 3.44Å; M403-I407 WeakPolarHBondContact O-CG1 2.95Å; M403-I407 PolarHBondContact O-N 2.83Å; M403-I407 HydrophobicContact SD-CD1 4.18Å; M403-M503 HydrophobicContact SD-CE 4.43Å; M403-M503 HydrophobicContact SD-SD 4.21Å; M403-N537 HydrophobicContact CE-CB 4.44Å; M403-N537 VanDerWaalsContact CE-CG 3.47Å; M403-N537 WeakPolarHBondContact CE-OD1 3.35Å
404	V	90.6	Very high	93.9	Very high	60 Å²	60	47.5 Å²	47.5	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-70	-43	-179.4	178.2	0	0	0	0	110.1	D402 I407 D408 L574	D402-V404 PolarHBondContact O-N 3.09Å; D402-V404 WeakPolarHBondContact OD1-CA 3.48Å; D402-V404 WeakPolarHBondContact OD1-CB 3.45Å; D402-V404 PolarHBondContact OD1-N 3.39Å; V404-I407 PolarHBondContact O-N 3.07Å; V404-D408 WeakPolarHBondContact O-CB 3.45Å; V404-D408 PolarHBondContact O-N 3.41Å; V404-L574 HydrophobicContact CG2-CD1 4.46Å
405	Q	93.5	Very high	94.1	Very high	69 Å²	69	49 Å²	49	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-45.9	174.6	-69.8	172.1	-33.1	0	0	111.3	F401 D402 I407 D408 V409 L441	F401-Q405 HydrophobicContact CB-CB 4.26Å; F401-Q405 HydrophobicContact CD1-CB 4.31Å; D402-Q405 PolarHBondContact O-N 3.22Å; D402-Q405 WeakPolarHBondContact OD1-CB 3.33Å; D402-Q405 VanDerWaalsContact OD1-CG 3.31Å; D402-Q405 WeakPolarHBondContact OD1-CG 3.44Å; D402-Q405 PolarHBondContact OD1-N 3.24Å; Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.44Å; Q405-D408 PolarHBondContact O-N 2.88Å; Q405-V409 WeakPolarHBondContact O-CG2 3.48Å; Q405-V409 PolarHBondContact O-N 2.86Å; Q405-L441 HydrophobicContact CB-CD1 4.37Å; Q405-L441 HydrophobicContact CG-CD1 4.04Å
406	L	94.4	Very high	94.2	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176.9	-69	171	0	0	0	111.9	F401 D402 D408 V409 A410 L502 M503	F401-L406 HydrophobicContact CB-CD1 4.48Å; F401-L406 HydrophobicContact CB-CD2 3.68Å; F401-L406 HydrophobicContact CB-CG 3.72Å; F401-L406 HydrophobicContact CD2-CD2 4.1Å; F401-L406 HydrophobicContact CG-CD2 4.14Å; D402-L406 WeakPolarHBondContact O-CG 3.24Å; D402-L406 PolarHBondContact O-N 3.12Å; L406-D408 VanDerWaalsContact C-N 3.34Å; L406-V409 PolarHBondContact O-N 2.99Å; L406-A410 WeakPolarHBondContact O-CB 3.2Å; L406-A410 PolarHBondContact O-N 3.26Å; L406-L502 WeakPolarHBondContact CD1-O 3.4Å; L406-L502 HydrophobicContact CD2-CB 4.33Å; L406-L502 HydrophobicContact CD2-CD2 3.71Å; L406-M503 HydrophobicContact CB-CE 3.81Å; L406-M503 HydrophobicContact CD1-CE 4.35Å
407	I	94.3	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-36.9	177.7	-70.1	162.7	0	0	0	110.9	M403 V404 Q405 A410 R411 P539 M542 I567 L570 L574	M403-I407 HydrophobicContact CG-CD1 3.72Å; M403-I407 WeakPolarHBondContact O-CB 3.4Å; M403-I407 VanDerWaalsContact O-CD1 3.24Å; M403-I407 WeakPolarHBondContact O-CD1 3.44Å; M403-I407 WeakPolarHBondContact O-CG1 2.95Å; M403-I407 PolarHBondContact O-N 2.83Å; M403-I407 HydrophobicContact SD-CD1 4.18Å; V404-I407 PolarHBondContact O-N 3.07Å; Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.44Å; I407-A410 WeakPolarHBondContact O-CB 3.43Å; I407-A410 PolarHBondContact O-N 3.15Å; I407-R411 WeakPolarHBondContact O-CB 3.28Å; I407-R411 PolarHBondContact O-N 3.49Å; I407-P539 HydrophobicContact CD1-CG 4.16Å; I407-M542 HydrophobicContact CG1-CE 3.97Å; I407-M542 HydrophobicContact CG2-CE 4.35Å; I407-I567 HydrophobicContact CG2-CG2 4.16Å; I407-L570 HydrophobicContact CD1-CD2 3.59Å; I407-L570 HydrophobicContact CG1-CD2 4.07Å; I407-L570 HydrophobicContact CG2-CD2 3.74Å; I407-L574 HydrophobicContact CD1-CD1 3.49Å; I407-L574 VanDerWaalsContact CD1-CD1 3.49Å; I407-L574 HydrophobicContact CD1-CD2 4.07Å; I407-L574 HydrophobicContact CD1-CG 4.33Å; I407-L574 HydrophobicContact CG2-CD1 4.33Å
408	D	95.1	Very high	94.7	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-69.5	-40.1	176.5	-167.4	61.7	0	0	0	112.2	V404 Q405 L406 A410 R411 Q412 Q571	V404-D408 WeakPolarHBondContact O-CB 3.45Å; V404-D408 PolarHBondContact O-N 3.41Å; Q405-D408 PolarHBondContact O-N 2.88Å; L406-D408 VanDerWaalsContact C-N 3.34Å; D408-A410 VanDerWaalsContact C-N 3.34Å; D408-A410 PolarHBondContact O-N 2.83Å; D408-R411 WeakPolarHBondContact O-CB 3.31Å; D408-R411 PolarHBondContact O-N 2.84Å; D408-R411 IonicContact OD1-CZ 3.52Å; D408-R411 VanDerWaalsContact OD1-CZ 3.26Å; D408-R411 IonicContact OD1-NE 3.65Å; D408-R411 PolarHBondContact OD1-NE 2.73Å; D408-R411 IonicContact OD1-NH2 2.99Å; D408-R411 PolarHBondContact OD1-NH2 3.16Å; D408-R411 IonicContact OD2-NH2 2.93Å; D408-Q412 WeakPolarHBondContact O-CB 3.4Å; D408-Q412 WeakPolarHBondContact O-CG 3.47Å; D408-Q412 PolarHBondContact O-N 3.5Å; D408-Q412 PolarHBondContact OD2-NE2 3.3Å; D408-Q571 PolarHBondContact OD1-NE2 3.46Å
409	V	96.9	Very high	95.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-44.4	171.3	171	0	0	0	0	110.9	L390 Q405 L406 R411 T413 L437 V443 L502	L390-V409 HydrophobicContact CD1-CG1 4.21Å; L390-V409 HydrophobicContact CD2-CG1 4.26Å; Q405-V409 WeakPolarHBondContact O-CG2 3.48Å; Q405-V409 PolarHBondContact O-N 2.86Å; L406-V409 PolarHBondContact O-N 2.99Å; V409-R411 VanDerWaalsContact C-N 3.35Å; V409-R411 PolarHBondContact O-N 3.17Å; V409-T413 WeakPolarHBondContact O-CB 3.32Å; V409-T413 PolarHBondContact O-N 3.09Å; V409-T413 PolarHBondContact O-OG1 3.45Å; V409-L437 HydrophobicContact CG1-CD2 4.11Å; V409-L437 HydrophobicContact CG2-CD2 3.95Å; V409-V443 HydrophobicContact CB-CG2 4.33Å; V409-V443 HydrophobicContact CG1-CG2 3.95Å; V409-V443 HydrophobicContact CG2-CG2 4.41Å; V409-L502 HydrophobicContact CB-CD2 4.48Å; V409-L502 HydrophobicContact CG1-CD1 4.34Å; V409-L502 HydrophobicContact CG1-CD2 4.02Å
410	A	97.8	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-45.1	174.9	0	0	0	0	0	111.8	L406 I407 D408 T413 A414 Y495 L499 L502 M542 I567	L406-A410 WeakPolarHBondContact O-CB 3.2Å; L406-A410 PolarHBondContact O-N 3.26Å; I407-A410 WeakPolarHBondContact O-CB 3.43Å; I407-A410 PolarHBondContact O-N 3.15Å; D408-A410 VanDerWaalsContact C-N 3.34Å; D408-A410 PolarHBondContact O-N 2.83Å; A410-T413 PolarHBondContact O-N 3.5Å; A410-A414 PolarHBondContact O-N 2.91Å; A410-Y495 PolarHBondContact O-OH 2.79Å; A410-L499 HydrophobicContact CB-CD2 3.59Å; A410-L502 HydrophobicContact CB-CD1 3.98Å; A410-M542 HydrophobicContact CB-CE 4.42Å; A410-I567 HydrophobicContact CB-CD1 4.5Å
411	R	97.6	Very high	95.6	Very high	39 Å²	39	25.4 Å²	25.4	15%	0.147	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-52.7	178	-174.1	-168.5	65	74.2	6.4	111.7	I407 D408 V409 T413 A414 Q415 L564 I567	I407-R411 WeakPolarHBondContact O-CB 3.28Å; I407-R411 PolarHBondContact O-N 3.49Å; D408-R411 WeakPolarHBondContact O-CB 3.31Å; D408-R411 PolarHBondContact O-N 2.84Å; D408-R411 IonicContact OD1-CZ 3.52Å; D408-R411 VanDerWaalsContact OD1-CZ 3.26Å; D408-R411 IonicContact OD1-NE 3.65Å; D408-R411 PolarHBondContact OD1-NE 2.73Å; D408-R411 IonicContact OD1-NH2 2.99Å; D408-R411 PolarHBondContact OD1-NH2 3.16Å; D408-R411 IonicContact OD2-NH2 2.93Å; V409-R411 VanDerWaalsContact C-N 3.35Å; V409-R411 PolarHBondContact O-N 3.17Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 2.85Å; R411-A414 WeakPolarHBondContact O-CB 3.26Å; R411-A414 PolarHBondContact O-N 2.98Å; R411-A414 VanDerWaalsContact O-N 3.12Å; R411-Q415 WeakPolarHBondContact O-CG 3.1Å; R411-Q415 PolarHBondContact O-N 2.86Å; R411-L564 HydrophobicContact CG-CD1 3.95Å; R411-I567 HydrophobicContact CB-CG2 3.62Å; R411-I567 HydrophobicContact CG-CG2 4.05Å
412	Q	98.2	Very high	95.7	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-37.9	-179.6	-72	-171.4	59.4	0	0	111.8	N365 D408 Q415 G416 L441 V443	N365-Q412 WeakPolarHBondContact CB-O 3.28Å; N365-Q412 PolarHBondContact ND2-OE1 3.42Å; N365-Q412 PolarHBondContact OD1-O 2.89Å; D408-Q412 WeakPolarHBondContact O-CB 3.4Å; D408-Q412 WeakPolarHBondContact O-CG 3.47Å; D408-Q412 PolarHBondContact O-N 3.5Å; D408-Q412 PolarHBondContact OD2-NE2 3.3Å; Q412-Q415 PolarHBondContact O-N 3.29Å; Q412-G416 PolarHBondContact O-N 3.4Å; Q412-L441 PolarHBondContact NE2-O 3.27Å; Q412-V443 HydrophobicContact CB-CB 3.72Å; Q412-V443 HydrophobicContact CB-CG2 3.68Å
413	T	98.5	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-45.3	173.1	-55.9	0	0	0	0	111	V409 A410 R411 Q415 G416 M417 I435 I445 Y495	V409-T413 WeakPolarHBondContact O-CB 3.32Å; V409-T413 PolarHBondContact O-N 3.09Å; V409-T413 PolarHBondContact O-OG1 3.45Å; A410-T413 PolarHBondContact O-N 3.5Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 2.85Å; T413-Q415 VanDerWaalsContact C-N 3.32Å; T413-Q415 PolarHBondContact O-N 3.08Å; T413-G416 PolarHBondContact O-N 3.35Å; T413-M417 WeakPolarHBondContact O-CG 3.5Å; T413-M417 PolarHBondContact O-N 3.05Å; T413-I435 HydrophobicContact CG2-CD1 3.73Å; T413-I435 HydrophobicContact CG2-CG1 4.47Å; T413-I445 HydrophobicContact CG2-CD1 4.16Å; T413-I445 WeakPolarHBondContact O-CD1 3.34Å; T413-Y495 HydrophobicContact CG2-CD2 3.85Å; T413-Y495 HydrophobicContact CG2-CE2 3.76Å
414	A	98.5	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-38.1	175.2	0	0	0	0	0	112.4	A410 R411 M417 D418 Y495 F560 I563 L564 I567	A410-A414 PolarHBondContact O-N 2.91Å; R411-A414 WeakPolarHBondContact O-CB 3.26Å; R411-A414 PolarHBondContact O-N 2.98Å; R411-A414 VanDerWaalsContact O-N 3.12Å; A414-M417 PolarHBondContact O-N 3.1Å; A414-D418 WeakPolarHBondContact O-CB 3.45Å; A414-D418 PolarHBondContact O-N 2.98Å; A414-Y495 HydrophobicContact CB-CE2 4.31Å; A414-F560 HydrophobicContact CB-CD1 4.06Å; A414-F560 HydrophobicContact CB-CE1 4.4Å; A414-I563 HydrophobicContact CB-CG2 4.15Å; A414-L564 HydrophobicContact CB-CD1 4.39Å; A414-I567 HydrophobicContact CB-CD1 4.18Å
415	Q	98.2	Very high	95.5	Very high	43 Å²	43	31.7 Å²	31.7	20%	0.201	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-45	175.7	-72.7	-174.8	-40.4	0	0	112.6	R411 Q412 T413 M417 D418 Y419 L564	R411-Q415 WeakPolarHBondContact O-CG 3.1Å; R411-Q415 PolarHBondContact O-N 2.86Å; Q412-Q415 PolarHBondContact O-N 3.29Å; T413-Q415 VanDerWaalsContact C-N 3.32Å; T413-Q415 PolarHBondContact O-N 3.08Å; Q415-M417 VanDerWaalsContact C-N 3.35Å; Q415-D418 PolarHBondContact O-N 3.37Å; Q415-Y419 PolarHBondContact O-N 2.88Å; Q415-Y419 VanDerWaalsContact O-N 3.09Å; Q415-L564 HydrophobicContact CG-CD1 3.47Å; Q415-L564 VanDerWaalsContact CG-CD1 3.47Å; Q415-L564 HydrophobicContact CG-CD2 3.83Å; Q415-L564 HydrophobicContact CG-CG 4.31Å
416	G	97.8	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-44.6	175.3	0	0	0	0	0	112	I366 Q412 T413 Y419 L420	I366-G416 WeakPolarHBondContact CD1-O 3.44Å; Q412-G416 PolarHBondContact O-N 3.4Å; T413-G416 PolarHBondContact O-N 3.35Å; G416-Y419 WeakPolarHBondContact O-CB 3.5Å; G416-Y419 PolarHBondContact O-N 3.29Å; G416-L420 PolarHBondContact O-N 3.22Å; G416-L420 VanDerWaalsContact O-N 3.09Å
417	M	98.3	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-38.4	179.3	-70.1	-57.1	-57.7	0	0	113.5	T413 A414 Q415 Y419 L420 H421 H427 L430 I445 D491 F560	T413-M417 WeakPolarHBondContact O-CG 3.5Å; T413-M417 PolarHBondContact O-N 3.05Å; A414-M417 PolarHBondContact O-N 3.1Å; Q415-M417 VanDerWaalsContact C-N 3.35Å; M417-Y419 VanDerWaalsContact C-N 3.3Å; M417-Y419 PolarHBondContact O-N 3.46Å; M417-L420 PolarHBondContact O-N 3.5Å; M417-L420 HydrophobicContact SD-CD1 4.02Å; M417-H421 PolarHBondContact O-N 3.27Å; M417-H427 HydrophobicContact CE-CB 3.81Å; M417-H427 HydrophobicContact SD-CB 4.26Å; M417-L430 HydrophobicContact CE-CD2 4.09Å; M417-L430 HydrophobicContact CG-CD1 4.48Å; M417-L430 HydrophobicContact CG-CD2 4.01Å; M417-L430 HydrophobicContact SD-CD1 3.89Å; M417-L430 HydrophobicContact SD-CD2 3.92Å; M417-L430 HydrophobicContact SD-CG 4.42Å; M417-I445 HydrophobicContact CG-CD1 3.84Å; M417-I445 HydrophobicContact SD-CD1 4.01Å; M417-I445 HydrophobicContact SD-CG2 4.45Å; M417-D491 HydrophobicContact CE-CB 3.77Å; M417-F560 HydrophobicContact CB-CD1 3.63Å; M417-F560 HydrophobicContact CB-CD2 3.78Å; M417-F560 HydrophobicContact CB-CE1 3.36Å; M417-F560 HydrophobicContact CB-CE2 3.52Å; M417-F560 HydrophobicContact CB-CG 3.84Å; M417-F560 HydrophobicContact CB-CZ 3.29Å; M417-F560 HydrophobicContact CE-CE2 3.94Å; M417-F560 HydrophobicContact CE-CZ 4.13Å; M417-F560 HydrophobicContact CG-CE1 3.89Å; M417-F560 HydrophobicContact CG-CE2 4.17Å; M417-F560 HydrophobicContact CG-CZ 3.63Å
418	D	97.9	Very high	95	Very high	42 Å²	42	32.2 Å²	32.2	23%	0.225	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-45.5	172.5	-169.3	45.4	0	0	0	111	A414 Q415 L420 H421 A422 F560 P561	A414-D418 WeakPolarHBondContact O-CB 3.45Å; A414-D418 PolarHBondContact O-N 2.98Å; Q415-D418 PolarHBondContact O-N 3.37Å; D418-L420 PolarHBondContact O-N 3.12Å; D418-H421 PolarHBondContact O-N 3.23Å; D418-A422 VanDerWaalsContact O-CB 3.32Å; D418-A422 WeakPolarHBondContact O-CB 3.31Å; D418-A422 PolarHBondContact O-N 3.02Å; D418-F560 HydrophobicContact CB-CB 3.8Å; D418-P561 WeakPolarHBondContact OD1-CD 3.49Å; D418-P561 VanDerWaalsContact OD1-CG 3.24Å; D418-P561 WeakPolarHBondContact OD1-CG 3.44Å
419	Y	96.8	Very high	94.7	Very high	40 Å²	40	31.5 Å²	31.5	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-44.9	174.9	173.6	-89.2	0	0	0	112.5	K360 T361 R362 H363 I366 Q415 G416 M417 K423	K360-Y419 PolarHBondContact O-OH 3.26Å; K360-Y419 VanDerWaalsContact O-OH 3.09Å; T361-Y419 WeakPolarHBondContact CA-OH 3.43Å; T361-Y419 HydrophobicContact CG2-CE1 4.27Å; R362-Y419 PolarHBondContact N-OH 3.44Å; H363-Y419 HydrophobicContact CB-CD1 3.72Å; H363-Y419 HydrophobicContact CB-CD2 3.87Å; H363-Y419 HydrophobicContact CB-CE1 3.99Å; H363-Y419 HydrophobicContact CB-CE2 4.1Å; H363-Y419 HydrophobicContact CB-CG 3.69Å; H363-Y419 AromaticContact CD2-CD2 3.8Å; H363-Y419 AromaticContact CD2-CG 3.94Å; H363-Y419 AromaticContact CG-CG 3.79Å; I366-Y419 HydrophobicContact CG1-CD1 3.95Å; Q415-Y419 PolarHBondContact O-N 2.88Å; Q415-Y419 VanDerWaalsContact O-N 3.09Å; G416-Y419 WeakPolarHBondContact O-CB 3.5Å; G416-Y419 PolarHBondContact O-N 3.29Å; M417-Y419 VanDerWaalsContact C-N 3.3Å; M417-Y419 PolarHBondContact O-N 3.46Å; Y419-K423 HydrophobicContact CE1-CG 4.21Å; Y419-K423 WeakPolarHBondContact O-CG 3.47Å; Y419-K423 PolarHBondContact O-N 3.16Å; Y419-K423 WeakPolarHBondContact OH-CE 3.32Å
420	L	94.6	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-46	178.1	-69.4	178.5	0	0	0	111.5	T361 I366 G416 M417 D418 A422 K423 N424 I425 F448	T361-L420 HydrophobicContact CG2-CD2 4.18Å; I366-L420 HydrophobicContact CD1-CD1 3.82Å; I366-L420 HydrophobicContact CD1-CD2 4.01Å; I366-L420 HydrophobicContact CD1-CG 3.72Å; I366-L420 HydrophobicContact CG1-CD2 4.32Å; I366-L420 HydrophobicContact CG1-CG 4.42Å; G416-L420 PolarHBondContact O-N 3.22Å; G416-L420 VanDerWaalsContact O-N 3.09Å; M417-L420 PolarHBondContact O-N 3.5Å; M417-L420 HydrophobicContact SD-CD1 4.02Å; D418-L420 PolarHBondContact O-N 3.12Å; L420-A422 PolarHBondContact O-N 3.46Å; L420-K423 CarbonylContact O-C 3.53Å; L420-K423 WeakPolarHBondContact O-CA 3.43Å; L420-K423 WeakPolarHBondContact O-CB 3.35Å; L420-K423 PolarHBondContact O-N 3.4Å; L420-N424 PolarHBondContact O-N 3.17Å; L420-I425 CarbonylContact C-O 3.42Å; L420-I425 HydrophobicContact CB-CB 4.29Å; L420-I425 HydrophobicContact CD2-CB 4.44Å; L420-I425 HydrophobicContact CD2-CD1 4.27Å; L420-I425 HydrophobicContact CD2-CG2 4.31Å; L420-I425 WeakPolarHBondContact O-CB 3.37Å; L420-I425 PolarHBondContact O-N 3.25Å; L420-F448 HydrophobicContact CD1-CB 3.99Å; L420-F448 HydrophobicContact CD1-CD2 4.34Å; L420-F448 HydrophobicContact CD1-CG 4.05Å; L420-F448 HydrophobicContact CD2-CD2 3.82Å; L420-F448 HydrophobicContact CD2-CE2 3.9Å; L420-F448 HydrophobicContact CD2-CG 4.28Å; L420-F448 HydrophobicContact CD2-CZ 4.47Å
421	H	94.9	Very high	94.4	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-37	-179.6	-74.2	-163	0	0	0	111.9	M417 D418 K423 N424 I425 F488 D491 F560	M417-H421 PolarHBondContact O-N 3.27Å; D418-H421 PolarHBondContact O-N 3.23Å; H421-K423 PolarHBondContact O-N 3.04Å; H421-N424 WeakPolarHBondContact O-CA 3.42Å; H421-N424 PolarHBondContact O-N 3.36Å; H421-I425 PolarHBondContact CD2-O 3.02Å; H421-I425 VanDerWaalsContact CD2-O 3.29Å; H421-F488 HydrophobicContact CB-CD1 4.16Å; H421-F488 HydrophobicContact CB-CE1 4.16Å; H421-F488 HydrophobicContact CB-CG 4.45Å; H421-F488 HydrophobicContact CB-CZ 4.42Å; H421-F488 AromaticContact CD2-CD1 3.62Å; H421-F488 VanDerWaalsContact CE1-CA 3.43Å; H421-F488 WeakPolarHBondContact CE1-CA 3.39Å; H421-F488 VanDerWaalsContact CE1-CB 3.47Å; H421-F488 WeakPolarHBondContact CE1-CB 3.4Å; H421-F488 AromaticContact CE1-CD1 3.67Å; H421-F488 AromaticContact CE1-CG 3.82Å; H421-F488 PolarHBondContact CE1-O 3.48Å; H421-F488 AromaticContact CG-CD1 3.53Å; H421-F488 AromaticContact CG-CE1 3.95Å; H421-F488 AromaticContact CG-CG 3.91Å; H421-F488 WeakPolarHBondContact ND1-CB 3.38Å; H421-F488 AromaticContact ND1-CD1 3.56Å; H421-F488 AromaticContact ND1-CG 3.52Å; H421-F488 AromaticContact NE2-CD1 3.69Å; H421-D491 IonicContact CD2-OD2 2.69Å; H421-D491 IonicContact CE1-OD2 3.23Å; H421-D491 IonicContact NE2-OD2 2.83Å; H421-D491 PolarHBondContact NE2-OD2 2.87Å; H421-F560 AromaticContact CE1-CD2 3.45Å; H421-F560 VanDerWaalsContact CE1-CD2 3.45Å; H421-F560 WeakPolarHBondContact CE1-CD2 3.39Å; H421-F560 AromaticContact CE1-CE2 3.44Å; H421-F560 VanDerWaalsContact CE1-CE2 3.44Å; H421-F560 WeakPolarHBondContact CE1-CE2 3.01Å; H421-F560 AromaticContact ND1-CD2 3.39Å; H421-F560 WeakPolarHBondContact ND1-CD2 3.33Å; H421-F560 AromaticContact ND1-CE2 3.9Å
422	A	94	Very high	94.4	Very high	83 Å²	83	30.4 Å²	30.4	69%	0.686	16%	0.157	S	C	*	.	H	α-helix	trans	-62.5	-26.4	172.2	0	0	0	0	0	113	D418 L420 N424	D418-A422 VanDerWaalsContact O-CB 3.32Å; D418-A422 WeakPolarHBondContact O-CB 3.31Å; D418-A422 PolarHBondContact O-N 3.02Å; L420-A422 PolarHBondContact O-N 3.46Å; A422-N424 VanDerWaalsContact C-N 3.3Å
423	K	90.4	Very high	94.1	Very high	116 Å²	116	32.1 Å²	32.1	50%	0.504	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.9	171.1	-66.5	-69.1	-176.7	-178.2	0	113.4	Y419 L420 H421 I425	Y419-K423 HydrophobicContact CE1-CG 4.21Å; Y419-K423 WeakPolarHBondContact O-CG 3.47Å; Y419-K423 PolarHBondContact O-N 3.16Å; Y419-K423 WeakPolarHBondContact OH-CE 3.32Å; L420-K423 CarbonylContact O-C 3.53Å; L420-K423 WeakPolarHBondContact O-CA 3.43Å; L420-K423 WeakPolarHBondContact O-CB 3.35Å; L420-K423 PolarHBondContact O-N 3.4Å; H421-K423 PolarHBondContact O-N 3.04Å; K423-I425 VanDerWaalsContact C-N 3.3Å; K423-I425 HydrophobicContact CB-CD1 3.96Å; K423-I425 HydrophobicContact CB-CG1 4.14Å; K423-I425 PolarHBondContact O-N 3.41Å
424	N	89.8	Confident	93.9	Very high	128 Å²	128	32.6 Å²	32.6	68%	0.684	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	36.6	-176.4	-157.5	62.4	0	0	0	113.5	L420 H421 A422 F488	L420-N424 PolarHBondContact O-N 3.17Å; H421-N424 WeakPolarHBondContact O-CA 3.42Å; H421-N424 PolarHBondContact O-N 3.36Å; A422-N424 VanDerWaalsContact C-N 3.3Å; N424-F488 WeakPolarHBondContact OD1-CZ 3.45Å
425	I	88.8	Confident	93.8	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.072	17%	0.169	C	C	.	.			trans	-107.1	122.5	177.6	-59.4	171.8	0	0	0	108.6	V357 T361 L420 H421 K423 F448	V357-I425 HydrophobicContact CG1-CD1 3.79Å; V357-I425 HydrophobicContact CG1-CG1 3.87Å; T361-I425 HydrophobicContact CG2-CD1 3.62Å; L420-I425 CarbonylContact C-O 3.42Å; L420-I425 HydrophobicContact CB-CB 4.29Å; L420-I425 HydrophobicContact CD2-CB 4.44Å; L420-I425 HydrophobicContact CD2-CD1 4.27Å; L420-I425 HydrophobicContact CD2-CG2 4.31Å; L420-I425 WeakPolarHBondContact O-CB 3.37Å; L420-I425 PolarHBondContact O-N 3.25Å; H421-I425 PolarHBondContact CD2-O 3.02Å; H421-I425 VanDerWaalsContact CD2-O 3.29Å; K423-I425 VanDerWaalsContact C-N 3.3Å; K423-I425 HydrophobicContact CB-CD1 3.96Å; K423-I425 HydrophobicContact CB-CG1 4.14Å; K423-I425 PolarHBondContact O-N 3.41Å; I425-F448 HydrophobicContact CG2-CD2 4.25Å
426	I	90.4	Very high	93.7	Very high	33 Å²	33	33 Å²	33	17%	0.169	17%	0.171	C	C	.	.			trans	-94.4	128.2	171.3	-53.1	169.5	0	0	0	107.6	R428 S487 F488 D491	I426-R428 HydrophobicContact CB-CG 4.13Å; I426-R428 HydrophobicContact CG2-CG 3.64Å; I426-S487 WeakPolarHBondContact CG2-O 3.29Å; I426-F488 HydrophobicContact CG1-CD1 3.79Å; I426-F488 HydrophobicContact CG1-CE1 3.76Å; I426-D491 WeakPolarHBondContact CG2-OD2 3.36Å
427	H	91.9	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.			trans	-70.8	-45.9	-177.8	-173.2	-40.3	0	0	0	112.1	M417 D429 L430 I445 G446 F448 D491	M417-H427 HydrophobicContact CE-CB 3.81Å; M417-H427 HydrophobicContact SD-CB 4.26Å; H427-D429 VanDerWaalsContact CE1-C 3.42Å; H427-D429 PolarHBondContact CE1-O 3.36Å; H427-D429 VanDerWaalsContact CE1-O 3.25Å; H427-D429 PolarHBondContact ND1-N 2.9Å; H427-D429 PolarHBondContact O-N 3.39Å; H427-D429 VanDerWaalsContact O-N 3.1Å; H427-L430 HydrophobicContact CB-CB 4.47Å; H427-L430 PolarHBondContact ND1-N 3.36Å; H427-I445 WeakPolarHBondContact NE2-CG2 3.49Å; H427-G446 PolarHBondContact CE1-O 2.86Å; H427-G446 PolarHBondContact NE2-O 3.05Å; H427-G446 VanDerWaalsContact NE2-O 3.1Å; H427-F448 HydrophobicContact CB-CB 4.26Å; H427-D491 PolarHBondContact N-OD1 3.44Å; H427-D491 PolarHBondContact N-OD2 3.48Å
428	R	88.6	Confident	92.9	Very high	65 Å²	65	35.3 Å²	35.3	25%	0.245	18%	0.182	C	C	.	.	S	Bend	trans	69.6	-11.4	176.4	-51.7	176	176.4	-142.3	-3	117.4	I426 A451 Y486 D491	I426-R428 HydrophobicContact CB-CG 4.13Å; I426-R428 HydrophobicContact CG2-CG 3.64Å; R428-A451 HydrophobicContact CB-CB 3.64Å; R428-A451 HydrophobicContact CG-CB 4.4Å; R428-Y486 HydrophobicContact CB-CD1 3.66Å; R428-Y486 HydrophobicContact CB-CE1 3.89Å; R428-Y486 HydrophobicContact CB-CG 4.41Å; R428-Y486 HydrophobicContact CG-CD1 3.74Å; R428-Y486 HydrophobicContact CG-CE1 4.43Å; R428-Y486 HydrophobicContact CG-CG 4.06Å; R428-D491 PolarHBondContact N-OD1 3.31Å
429	D	88.1	Confident	92.1	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.118	20%	0.2	C	C	.	.			trans	-144.3	39.2	178.9	-168.9	41	0	0	0	109.9	H427 K431 N434	H427-D429 VanDerWaalsContact CE1-C 3.42Å; H427-D429 PolarHBondContact CE1-O 3.36Å; H427-D429 VanDerWaalsContact CE1-O 3.25Å; H427-D429 PolarHBondContact ND1-N 2.9Å; H427-D429 PolarHBondContact O-N 3.39Å; H427-D429 VanDerWaalsContact O-N 3.1Å; D429-K431 PolarHBondContact O-N 3.08Å; D429-K431 IonicContact OD1-NZ 2.87Å; D429-K431 PolarHBondContact OD1-NZ 2.91Å; D429-K431 WeakPolarHBondContact OD2-CE 3.4Å; D429-K431 IonicContact OD2-NZ 2.73Å; D429-K431 PolarHBondContact OD2-NZ 2.85Å; D429-N434 PolarHBondContact O-ND2 3.24Å; D429-N434 PolarHBondContact OD2-ND2 3.09Å
430	L	94.8	Very high	91.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.233	C	C	.	.			trans	-68.4	125.1	175.5	-178.8	66.9	0	0	0	108.7	M417 H427 I435 I445 A494 Y495	M417-L430 HydrophobicContact CE-CD2 4.09Å; M417-L430 HydrophobicContact CG-CD1 4.48Å; M417-L430 HydrophobicContact CG-CD2 4.01Å; M417-L430 HydrophobicContact SD-CD1 3.89Å; M417-L430 HydrophobicContact SD-CD2 3.92Å; M417-L430 HydrophobicContact SD-CG 4.42Å; H427-L430 HydrophobicContact CB-CB 4.47Å; H427-L430 PolarHBondContact ND1-N 3.36Å; L430-I435 HydrophobicContact CD1-CD1 4.11Å; L430-I435 HydrophobicContact CD1-CG1 4.2Å; L430-I445 HydrophobicContact CD1-CG2 4.17Å; L430-A494 HydrophobicContact CB-CB 4.01Å; L430-A494 WeakPolarHBondContact O-CB 3.43Å; L430-Y495 HydrophobicContact CD2-CD2 4.48Å
431	K	94.6	Very high	90.9	Very high	17 Å²	17	44 Å²	44	7%	0.074	25%	0.246	C	C	.	.	S	Bend	trans	-163.8	162.5	178.3	58.6	-170.8	175.2	-147.1	0	109.8	D429 N433 N434 I435 S469 W472	D429-K431 PolarHBondContact O-N 3.08Å; D429-K431 IonicContact OD1-NZ 2.87Å; D429-K431 PolarHBondContact OD1-NZ 2.91Å; D429-K431 WeakPolarHBondContact OD2-CE 3.4Å; D429-K431 IonicContact OD2-NZ 2.73Å; D429-K431 PolarHBondContact OD2-NZ 2.85Å; K431-N433 HydrophobicContact CD-CB 4.3Å; K431-N433 HydrophobicContact CG-CB 4.12Å; K431-N433 PolarHBondContact O-N 3.29Å; K431-N433 VanDerWaalsContact O-N 3.1Å; K431-N434 WeakPolarHBondContact CE-ND2 3.4Å; K431-N434 HydrophobicContact CG-CB 4.25Å; K431-N434 PolarHBondContact O-N 2.75Å; K431-I435 PolarHBondContact O-N 3.22Å; K431-S469 WeakPolarHBondContact CD-OG 3.37Å; K431-S469 PolarHBondContact NZ-OG 3.43Å; K431-W472 HydrophobicContact CB-CD2 3.57Å; K431-W472 HydrophobicContact CB-CE3 4.09Å; K431-W472 HydrophobicContact CB-CG 3.76Å; K431-W472 HydrophobicContact CB-CZ2 4.19Å
432	S	96.3	Very high	90.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.1	-179.7	56.8	0	0	0	0	113.8	L390 Y391 N434 E501	L390-S432 PolarHBondContact N-O 2.65Å; Y391-S432 WeakPolarHBondContact CB-OG 3.46Å; Y391-S432 WeakPolarHBondContact CD2-OG 3.24Å; Y391-S432 PolarHBondContact N-O 3Å; S432-N434 VanDerWaalsContact C-N 3.32Å; S432-N434 PolarHBondContact O-N 2.86Å; S432-E501 VanDerWaalsContact CB-OE1 3.31Å; S432-E501 WeakPolarHBondContact CB-OE1 3.48Å; S432-E501 PolarHBondContact OG-OE1 3.33Å; S432-E501 PolarHBondContact OG-OE2 3.48Å
433	N	93.2	Very high	91	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.283	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-69.4	-27.3	172.1	-58	91.2	0	0	0	113.7	S389 Y391 K431	S389-N433 WeakPolarHBondContact CB-O 3.42Å; Y391-N433 VanDerWaalsContact CG-ND2 3.29Å; K431-N433 HydrophobicContact CD-CB 4.3Å; K431-N433 HydrophobicContact CG-CB 4.12Å; K431-N433 PolarHBondContact O-N 3.29Å; K431-N433 VanDerWaalsContact O-N 3.1Å
434	N	93.8	Very high	91.3	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.053	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-99.2	3.6	-176.9	-67.9	-8.9	0	0	0	112.1	D429 K431 S432 G446 D447	D429-N434 PolarHBondContact O-ND2 3.24Å; D429-N434 PolarHBondContact OD2-ND2 3.09Å; K431-N434 WeakPolarHBondContact CE-ND2 3.4Å; K431-N434 HydrophobicContact CG-CB 4.25Å; K431-N434 PolarHBondContact O-N 2.75Å; S432-N434 VanDerWaalsContact C-N 3.32Å; S432-N434 PolarHBondContact O-N 2.86Å; N434-G446 PolarHBondContact O-N 3.45Å; N434-D447 HydrophobicContact CB-CB 4.43Å
435	I	96.9	Very high	91.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.1	174.4	-61.9	169.7	0	0	0	106.7	S389 L390 T413 L430 K431 V443 V498	S389-I435 CarbonylContact C-O 3.6Å; S389-I435 VanDerWaalsContact CA-O 3.31Å; S389-I435 WeakPolarHBondContact CA-O 3.4Å; L390-I435 HydrophobicContact CB-CB 4.12Å; L390-I435 HydrophobicContact CB-CG2 4.09Å; L390-I435 HydrophobicContact CD2-CB 4.45Å; L390-I435 HydrophobicContact CD2-CD1 4.33Å; L390-I435 HydrophobicContact CD2-CG2 4.17Å; L390-I435 PolarHBondContact N-O 3.13Å; T413-I435 HydrophobicContact CG2-CD1 3.73Å; T413-I435 HydrophobicContact CG2-CG1 4.47Å; L430-I435 HydrophobicContact CD1-CD1 4.11Å; L430-I435 HydrophobicContact CD1-CG1 4.2Å; K431-I435 PolarHBondContact O-N 3.22Å; I435-V443 HydrophobicContact CG2-CG1 3.79Å; I435-V498 HydrophobicContact CD1-CG1 3.8Å; I435-V498 HydrophobicContact CD1-CG2 4Å
436	F	95.4	Very high	91.7	Very high	53 Å²	53	30.1 Å²	30.1	23%	0.232	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.2	179.8	-59.2	-92	0	0	0	110.2	V443 K444	F436-V443 CarbonylContact O-C 3.57Å; F436-V443 WeakPolarHBondContact O-CA 3.28Å; F436-K444 HydrophobicContact CB-CB 4.32Å; F436-K444 PolarHBondContact N-O 2.9Å; F436-K444 PolarHBondContact O-N 2.79Å
437	L	94.4	Very high	91.4	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	99.6	170.5	-59.9	-175.6	0	0	0	107.8	G387 S388 L390 F401 V409 L441 V443	G387-L437 WeakPolarHBondContact CA-O 3.49Å; S388-L437 PolarHBondContact O-N 2.74Å; L390-L437 HydrophobicContact CD1-CD1 4.05Å; L390-L437 HydrophobicContact CD1-CG 4.47Å; F401-L437 HydrophobicContact CE1-CD1 4.19Å; F401-L437 HydrophobicContact CZ-CD1 3.74Å; V409-L437 HydrophobicContact CG1-CD2 4.11Å; V409-L437 HydrophobicContact CG2-CD2 3.95Å; L437-L441 HydrophobicContact CD1-CD2 4.25Å; L437-V443 HydrophobicContact CD2-CG2 3.88Å
438	H	85.2	Confident	90.6	Very high	42 Å²	42	31.3 Å²	31.3	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	171.2	174.5	-171	58.1	0	0	0	110.4	G440 L441 T442 K444	H438-G440 PolarHBondContact O-N 2.84Å; H438-L441 WeakPolarHBondContact O-CA 3.32Å; H438-L441 PolarHBondContact O-N 3.09Å; H438-T442 WeakPolarHBondContact CB-O 3.49Å; H438-T442 PolarHBondContact N-O 3.05Å; H438-T442 PolarHBondContact O-N 3.35Å; H438-K444 HydrophobicContact CB-CG 4.06Å
439	E	81.9	Confident	89.5	Confident	132 Å²	132	28.8 Å²	28.8	62%	0.617	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-33.9	132.8	-178.9	-64.8	177.9	-173.2	0	0	113.5	L441 T442	E439-L441 VanDerWaalsContact C-N 3.3Å; E439-L441 PolarHBondContact O-N 3.33Å; E439-T442 PolarHBondContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.49Å; E439-T442 VanDerWaalsContact O-OG1 3.04Å
440	G	79.1	Confident	88.4	Confident	81 Å²	81	28.1 Å²	28.1	84%	0.835	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	67.1	24.7	-177.1	0	0	0	0	0	114.9	H438 T442	H438-G440 PolarHBondContact O-N 2.84Å; G440-T442 PolarHBondContact O-N 3.37Å
441	L	86.3	Confident	86.7	Confident	52 Å²	52	28.7 Å²	28.7	27%	0.272	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	61.4	29.8	-176.1	-55.9	176.3	0	0	0	113.6	F401 Q405 Q412 L437 H438 E439 V443	F401-L441 HydrophobicContact CE1-CD2 3.86Å; Q405-L441 HydrophobicContact CB-CD1 4.37Å; Q405-L441 HydrophobicContact CG-CD1 4.04Å; Q412-L441 PolarHBondContact NE2-O 3.27Å; L437-L441 HydrophobicContact CD1-CD2 4.25Å; H438-L441 WeakPolarHBondContact O-CA 3.32Å; H438-L441 PolarHBondContact O-N 3.09Å; E439-L441 VanDerWaalsContact C-N 3.3Å; E439-L441 PolarHBondContact O-N 3.33Å; L441-V443 PolarHBondContact O-N 3.29Å
442	T	94.3	Very high	84.9	Confident	39 Å²	39	28.9 Å²	28.9	24%	0.239	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.4	173.8	-56.8	0	0	0	0	109.6	V364 H438 E439 G440	V364-T442 HydrophobicContact CG2-CG2 4.2Å; H438-T442 WeakPolarHBondContact CB-O 3.49Å; H438-T442 PolarHBondContact N-O 3.05Å; H438-T442 PolarHBondContact O-N 3.35Å; E439-T442 PolarHBondContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.49Å; E439-T442 VanDerWaalsContact O-OG1 3.04Å; G440-T442 PolarHBondContact O-N 3.37Å
443	V	97.5	Very high	83	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.5	178	169.5	0	0	0	0	110.5	N365 V409 Q412 I435 F436 L437 L441 I445	N365-V443 WeakPolarHBondContact CA-O 3.31Å; N365-V443 PolarHBondContact ND2-O 2.92Å; V409-V443 HydrophobicContact CB-CG2 4.33Å; V409-V443 HydrophobicContact CG1-CG2 3.95Å; V409-V443 HydrophobicContact CG2-CG2 4.41Å; Q412-V443 HydrophobicContact CB-CB 3.72Å; Q412-V443 HydrophobicContact CB-CG2 3.68Å; I435-V443 HydrophobicContact CG2-CG1 3.79Å; F436-V443 CarbonylContact O-C 3.57Å; F436-V443 WeakPolarHBondContact O-CA 3.28Å; L437-V443 HydrophobicContact CD2-CG2 3.88Å; L441-V443 PolarHBondContact O-N 3.29Å; V443-I445 HydrophobicContact CG1-CG1 4.18Å
444	K	96.1	Very high	81.2	Confident	24 Å²	24	29 Å²	29	10%	0.104	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117	169.4	-60.7	-69.8	-179.2	174.3	0	110	V364 L367 F436 H438	V364-K444 VanDerWaalsContact O-CD 3.31Å; V364-K444 WeakPolarHBondContact O-CD 3.43Å; V364-K444 VanDerWaalsContact O-CE 3.28Å; V364-K444 WeakPolarHBondContact O-CE 3.42Å; V364-K444 PolarHBondContact O-NZ 3.43Å; L367-K444 HydrophobicContact CD1-CB 4.12Å; F436-K444 HydrophobicContact CB-CB 4.32Å; F436-K444 PolarHBondContact N-O 2.9Å; F436-K444 PolarHBondContact O-N 2.79Å; H438-K444 HydrophobicContact CB-CG 4.06Å
445	I	95.9	Very high	79.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.8	176.4	-54.1	173.2	0	0	0	109.2	N365 I366 L367 T413 M417 H427 L430 V443	N365-I445 WeakPolarHBondContact O-CG1 3.37Å; N365-I445 PolarHBondContact O-N 3.28Å; I366-I445 HydrophobicContact CD1-CB 3.97Å; I366-I445 HydrophobicContact CD1-CD1 4.24Å; L367-I445 VanDerWaalsContact CB-O 3.29Å; L367-I445 WeakPolarHBondContact CB-O 3.28Å; L367-I445 PolarHBondContact N-O 3.41Å; T413-I445 HydrophobicContact CG2-CD1 4.16Å; T413-I445 WeakPolarHBondContact O-CD1 3.34Å; M417-I445 HydrophobicContact CG-CD1 3.84Å; M417-I445 HydrophobicContact SD-CD1 4.01Å; M417-I445 HydrophobicContact SD-CG2 4.45Å; H427-I445 WeakPolarHBondContact NE2-CG2 3.49Å; L430-I445 HydrophobicContact CD1-CG2 4.17Å; V443-I445 HydrophobicContact CG1-CG1 4.18Å
446	G	91.1	Very high	77.5	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	22%	0.224	C	C	.	.			trans	-113.2	179.2	179.4	0	0	0	0	0	113.1	H427 N434 F448	H427-G446 PolarHBondContact CE1-O 2.86Å; H427-G446 PolarHBondContact NE2-O 3.05Å; H427-G446 VanDerWaalsContact NE2-O 3.1Å; N434-G446 PolarHBondContact O-N 3.45Å; G446-F448 PolarHBondContact O-N 2.78Å
447	D	83.4	Confident	75.7	Confident	47 Å²	47	38.8 Å²	38.8	25%	0.251	21%	0.214	S	C	.	.	S	Bend	trans	57	15.2	173.8	-76.9	-9.8	0	0	0	116.6	K336 N434 L450	K336-D447 IonicContact NZ-OD1 2.75Å; K336-D447 PolarHBondContact NZ-OD1 3.03Å; K336-D447 IonicContact NZ-OD2 2.97Å; K336-D447 PolarHBondContact NZ-OD2 3.4Å; N434-D447 HydrophobicContact CB-CB 4.43Å; D447-L450 HydrophobicContact CB-CD1 4.28Å; D447-L450 WeakPolarHBondContact OD1-CD1 3.15Å
448	F	76.8	Confident	73.6	Confident	12 Å²	12	41.9 Å²	41.9	5%	0.053	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	144.7	173.8	62.2	-86.1	0	0	0	111.6	L358 T361 I366 L420 I425 H427 G446 L450	L358-F448 HydrophobicContact CD2-CD2 3.61Å; L358-F448 HydrophobicContact CD2-CE2 3.28Å; L358-F448 HydrophobicContact CD2-CZ 4.13Å; T361-F448 HydrophobicContact CG2-CE2 3.81Å; T361-F448 HydrophobicContact CG2-CZ 4.22Å; I366-F448 HydrophobicContact CG2-CD1 4.28Å; I366-F448 HydrophobicContact CG2-CE1 3.37Å; I366-F448 HydrophobicContact CG2-CE2 4.46Å; I366-F448 HydrophobicContact CG2-CZ 3.47Å; I366-F448 VanDerWaalsContact CG2-CZ 3.47Å; L420-F448 HydrophobicContact CD1-CB 3.99Å; L420-F448 HydrophobicContact CD1-CD2 4.34Å; L420-F448 HydrophobicContact CD1-CG 4.05Å; L420-F448 HydrophobicContact CD2-CD2 3.82Å; L420-F448 HydrophobicContact CD2-CE2 3.9Å; L420-F448 HydrophobicContact CD2-CG 4.28Å; L420-F448 HydrophobicContact CD2-CZ 4.47Å; I425-F448 HydrophobicContact CG2-CD2 4.25Å; H427-F448 HydrophobicContact CB-CB 4.26Å; G446-F448 PolarHBondContact O-N 2.78Å; F448-L450 PolarHBondContact O-N 2.96Å; F448-L450 VanDerWaalsContact O-N 3.16Å
449	G	64.6	Low	71.5	Confident	12 Å²	12	43 Å²	43	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	-0.7	177.6	0	0	0	0	0	115	A451 T452	G449-A451 VanDerWaalsContact C-N 3.33Å; G449-T452 PolarHBondContact O-OG1 2.88Å
450	L	65.6	Low	69.6	Low	7 Å²	7	38.7 Å²	38.7	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-84.2	-3	178.5	-57.4	-175.7	0	0	0	114.4	F321 K336 L358 I380 D447 F448 V453	F321-L450 WeakPolarHBondContact CD1-O 3.24Å; F321-L450 VanDerWaalsContact CE1-O 3.29Å; F321-L450 WeakPolarHBondContact CE1-O 3.37Å; K336-L450 HydrophobicContact CD-CD1 4.15Å; L358-L450 HydrophobicContact CD1-CD2 4.39Å; I380-L450 HydrophobicContact CD1-CD1 4.3Å; I380-L450 HydrophobicContact CD1-CD2 3.27Å; I380-L450 HydrophobicContact CD1-CG 4.43Å; D447-L450 HydrophobicContact CB-CD1 4.28Å; D447-L450 WeakPolarHBondContact OD1-CD1 3.15Å; F448-L450 PolarHBondContact O-N 2.96Å; F448-L450 VanDerWaalsContact O-N 3.16Å; L450-V453 HydrophobicContact CD2-CG2 4.11Å; L450-V453 WeakPolarHBondContact O-CB 3.27Å
451	A	58	Low	67.8	Low	15 Å²	15	42.4 Å²	42.4	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-81.7	-31.9	176.3	0	0	0	0	0	112.6	R428 G449 K454 T455	R428-A451 HydrophobicContact CB-CB 3.64Å; R428-A451 HydrophobicContact CG-CB 4.4Å; G449-A451 VanDerWaalsContact C-N 3.33Å; A451-K454 PolarHBondContact O-N 3.42Å; A451-T455 PolarHBondContact O-N 3.1Å
452	T	56.9	Low	65.7	Low	20 Å²	20	45.1 Å²	45.1	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-45.4	172.9	37.1	0	0	0	0	111.6	E354 G449 K454 T455 R456	E354-T452 WeakPolarHBondContact OE1-CB 3.32Å; E354-T452 PolarHBondContact OE1-OG1 3.34Å; E354-T452 PolarHBondContact OE2-OG1 2.76Å; G449-T452 PolarHBondContact O-OG1 2.88Å; T452-K454 VanDerWaalsContact C-N 3.29Å; T452-K454 PolarHBondContact O-N 3.31Å; T452-T455 PolarHBondContact O-N 3.02Å; T452-R456 WeakPolarHBondContact O-CB 3.29Å; T452-R456 WeakPolarHBondContact O-CG 3.43Å; T452-R456 PolarHBondContact O-N 3.43Å
453	V	56.3	Low	63.3	Low	9 Å²	9	51 Å²	51	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-42.6	-52.4	171.4	162.4	0	0	0	0	111.8	L338 E354 L450 W457	L338-V453 HydrophobicContact CD1-CG1 4.2Å; E354-V453 WeakPolarHBondContact OE2-CG2 3.44Å; E354-V453 PolarHBondContact OE2-N 2.96Å; L450-V453 HydrophobicContact CD2-CG2 4.11Å; L450-V453 WeakPolarHBondContact O-CB 3.27Å; V453-W457 HydrophobicContact CB-CD2 4.43Å; V453-W457 HydrophobicContact CB-CE3 3.99Å; V453-W457 HydrophobicContact CB-CH2 3.49Å; V453-W457 VanDerWaalsContact CB-CH2 3.49Å; V453-W457 HydrophobicContact CB-CZ2 4.02Å; V453-W457 HydrophobicContact CB-CZ3 3.54Å; V453-W457 HydrophobicContact CG1-CD2 4.16Å; V453-W457 HydrophobicContact CG1-CE3 3.31Å; V453-W457 HydrophobicContact CG1-CH2 3.49Å; V453-W457 VanDerWaalsContact CG1-CH2 3.49Å; V453-W457 HydrophobicContact CG1-CZ2 4.33Å; V453-W457 HydrophobicContact CG1-CZ3 2.94Å; V453-W457 HydrophobicContact CG2-CH2 3.25Å; V453-W457 HydrophobicContact CG2-CZ2 3.9Å; V453-W457 HydrophobicContact CG2-CZ3 3.74Å; V453-W457 WeakPolarHBondContact O-CB 3.43Å; V453-W457 PolarHBondContact O-N 2.85Å; V453-W457 VanDerWaalsContact O-N 3.09Å
454	K	56	Low	60.7	Low	47 Å²	47	56.4 Å²	56.4	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-52.8	-175	-171.4	-178	173.5	-169.1	0	111.6	F321 A451 T452 R456 W457 S458 S467	F321-K454 HydrophobicContact CD1-CB 4.09Å; F321-K454 HydrophobicContact CD1-CD 4.05Å; F321-K454 HydrophobicContact CD1-CG 4.5Å; F321-K454 HydrophobicContact CE1-CB 3.85Å; F321-K454 HydrophobicContact CE1-CD 3.7Å; F321-K454 HydrophobicContact CE1-CG 4.35Å; A451-K454 PolarHBondContact O-N 3.42Å; T452-K454 VanDerWaalsContact C-N 3.29Å; T452-K454 PolarHBondContact O-N 3.31Å; K454-R456 VanDerWaalsContact C-N 3.33Å; K454-R456 PolarHBondContact O-N 3.05Å; K454-W457 PolarHBondContact O-N 2.77Å; K454-S458 VanDerWaalsContact O-CB 3.29Å; K454-S458 WeakPolarHBondContact O-CB 3.43Å; K454-S458 PolarHBondContact O-N 3.17Å; K454-S458 PolarHBondContact O-OG 2.81Å; K454-S458 VanDerWaalsContact O-OG 3.06Å; K454-S467 PolarHBondContact NZ-OG 3.11Å
455	T	57.3	Low	58.4	Low	92 Å²	92	61.9 Å²	61.9	56%	0.564	34%	0.343	S	S	*	.	H	α-helix	trans	-65.8	-35.9	-177.3	-49.2	0	0	0	0	112.2	A451 T452	A451-T455 PolarHBondContact O-N 3.1Å; T452-T455 PolarHBondContact O-N 3.02Å
456	R	56.2	Low	56.3	Low	167 Å²	167	62.8 Å²	62.8	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-78.4	-27.7	-178	-73.7	178.2	172.1	171.1	-6	113.8	E354 T452 K454	E354-R456 IonicContact OE1-NH1 3.06Å; E354-R456 PolarHBondContact OE1-NH1 2.98Å; T452-R456 WeakPolarHBondContact O-CB 3.29Å; T452-R456 WeakPolarHBondContact O-CG 3.43Å; T452-R456 PolarHBondContact O-N 3.43Å; K454-R456 VanDerWaalsContact C-N 3.33Å; K454-R456 PolarHBondContact O-N 3.05Å
457	W	55.9	Low	54.3	Low	9 Å²	9	66.2 Å²	66.2	3%	0.034	37%	0.373	C	S	.	.	H	α-helix	trans	-113	-6.6	-171.6	-45.6	-27	0	0	0	114.5	L338 Q347 A350 F351 E354 F378 V453 K454 G459	L338-W457 HydrophobicContact CD1-CZ3 4.32Å; Q347-W457 HydrophobicContact CB-CB 4.28Å; Q347-W457 HydrophobicContact CB-CG 4.32Å; Q347-W457 HydrophobicContact CG-CB 4.01Å; Q347-W457 HydrophobicContact CG-CG 4.36Å; Q347-W457 PolarHBondContact NE2-O 3.36Å; A350-W457 HydrophobicContact CB-CZ2 4.5Å; F351-W457 HydrophobicContact CB-CE3 4.2Å; F351-W457 HydrophobicContact CB-CH2 3.57Å; F351-W457 HydrophobicContact CB-CZ2 3.9Å; F351-W457 HydrophobicContact CB-CZ3 3.66Å; F351-W457 HydrophobicContact CD2-CE3 4.45Å; F351-W457 AromaticContact CD2-CH2 3.39Å; F351-W457 HydrophobicContact CD2-CH2 3.39Å; F351-W457 HydrophobicContact CD2-CZ2 4.47Å; F351-W457 AromaticContact CD2-CZ3 3.32Å; F351-W457 HydrophobicContact CD2-CZ3 3.32Å; F351-W457 HydrophobicContact CE2-CH2 4.48Å; F351-W457 HydrophobicContact CE2-CZ3 4.27Å; F351-W457 AromaticContact CG-CH2 3.94Å; F351-W457 HydrophobicContact CG-CH2 3.94Å; F351-W457 AromaticContact CG-CZ3 3.88Å; F351-W457 HydrophobicContact CG-CZ3 3.88Å; E354-W457 HydrophobicContact CB-CH2 4.39Å; E354-W457 HydrophobicContact CB-CZ2 4.23Å; E354-W457 HydrophobicContact CG-CZ2 4.04Å; F378-W457 HydrophobicContact CD2-CE3 4.39Å; V453-W457 HydrophobicContact CB-CD2 4.43Å; V453-W457 HydrophobicContact CB-CE3 3.99Å; V453-W457 HydrophobicContact CB-CH2 3.49Å; V453-W457 VanDerWaalsContact CB-CH2 3.49Å; V453-W457 HydrophobicContact CB-CZ2 4.02Å; V453-W457 HydrophobicContact CB-CZ3 3.54Å; V453-W457 HydrophobicContact CG1-CD2 4.16Å; V453-W457 HydrophobicContact CG1-CE3 3.31Å; V453-W457 HydrophobicContact CG1-CH2 3.49Å; V453-W457 VanDerWaalsContact CG1-CH2 3.49Å; V453-W457 HydrophobicContact CG1-CZ2 4.33Å; V453-W457 HydrophobicContact CG1-CZ3 2.94Å; V453-W457 HydrophobicContact CG2-CH2 3.25Å; V453-W457 HydrophobicContact CG2-CZ2 3.9Å; V453-W457 HydrophobicContact CG2-CZ3 3.74Å; V453-W457 WeakPolarHBondContact O-CB 3.43Å; V453-W457 PolarHBondContact O-N 2.85Å; V453-W457 VanDerWaalsContact O-N 3.09Å; K454-W457 PolarHBondContact O-N 2.77Å; W457-G459 PolarHBondContact O-N 2.81Å
458	S	50.8	Low	53.1	Low	72 Å²	72	65.6 Å²	65.6	50%	0.503	38%	0.377	S	S	.	.	S	Bend	trans	-77.1	-8.9	170.8	-68.5	0	0	0	0	113.3	K454 A460	K454-S458 VanDerWaalsContact O-CB 3.29Å; K454-S458 WeakPolarHBondContact O-CB 3.43Å; K454-S458 PolarHBondContact O-N 3.17Å; K454-S458 PolarHBondContact O-OG 2.81Å; K454-S458 VanDerWaalsContact O-OG 3.06Å; S458-A460 PolarHBondContact O-N 3.36Å
459	G	41.5	Very low	53.1	Low	66 Å²	66	66.7 Å²	66.7	68%	0.68	39%	0.387	S	S	*	.			trans	65	-3.3	178.4	0	0	0	0	0	114.9	W457	W457-G459 PolarHBondContact O-N 2.81Å
460	A	42.5	Very low	54.2	Low	41 Å²	41	66.9 Å²	66.9	34%	0.339	39%	0.385	S	S	.	.			trans	-69	134.8	173.6	0	0	0	0	0	109.4	S458	S458-A460 PolarHBondContact O-N 3.36Å
461	Q	40.7	Very low	55.6	Low	159 Å²	159	68.1 Å²	68.1	74%	0.743	39%	0.392	S	S	*	.			trans	-45.2	150.3	159.7	-73.4	-95.5	-2.1	0	0	109.1	L463	Q461-L463 HydrophobicContact CB-CB 4.45Å; Q461-L463 PolarHBondContact O-N 2.87Å
462	P	43	Very low	57.4	Low	108 Å²	108	68.1 Å²	68.1	70%	0.701	39%	0.389	S	S	*	.	S	Bend	trans	-66.2	26.7	177.1	27.9	-33.7	0	0	0	114	E464	P462-E464 PolarHBondContact O-N 2.69Å
463	L	42.6	Very low	59.1	Low	163 Å²	163	68.3 Å²	68.3	85%	0.853	39%	0.388	S	S	*	.			trans	-94.6	61.2	175.9	-157.5	84	0	0	0	109.7	Q461	Q461-L463 HydrophobicContact CB-CB 4.45Å; Q461-L463 PolarHBondContact O-N 2.87Å
464	E	44	Very low	60.9	Low	113 Å²	113	67.9 Å²	67.9	53%	0.528	39%	0.386	S	S	.	.			trans	-129.3	123.5	173.8	-70.4	-167.3	155.6	0	0	109	P462	P462-E464 PolarHBondContact O-N 2.69Å
465	Q	47.4	Very low	62.8	Low	139 Å²	139	65.8 Å²	65.8	65%	0.65	38%	0.377	S	S	*	.			trans	-39.4	148.1	167.2	-76.1	-178.9	-1.5	0	0	110.6	S467	Q465-S467 VanDerWaalsContact C-N 3.31Å; Q465-S467 PolarHBondContact O-N 2.8Å
466	P	50.8	Low	64.5	Low	20 Å²	20	61.7 Å²	61.7	13%	0.13	35%	0.352	C	S	.	.			trans	-42.2	91.1	172.6	-31.2	36.5	0	0	0	112.7	G468 V470 M473 R515	P466-G468 PolarHBondContact O-N 3.33Å; P466-G468 VanDerWaalsContact O-N 3.14Å; P466-V470 HydrophobicContact CB-CG1 4.47Å; P466-M473 HydrophobicContact CB-CE 3.69Å; P466-M473 HydrophobicContact CB-SD 3.83Å; P466-M473 HydrophobicContact CG-CE 4.48Å; P466-R515 PolarHBondContact O-NH2 3.08Å
467	S	49	Very low	66.2	Low	73 Å²	73	54 Å²	54	51%	0.51	32%	0.323	S	S	.	.			trans	-89.5	84.8	-176.6	-171.9	0	0	0	0	106.4	K454 Q465	K454-S467 PolarHBondContact NZ-OG 3.11Å; Q465-S467 VanDerWaalsContact C-N 3.31Å; Q465-S467 PolarHBondContact O-N 2.8Å
468	G	59	Low	67.8	Low	33 Å²	33	54.2 Å²	54.2	34%	0.34	33%	0.325	S	S	.	.	S	Bend	trans	-175.3	178.5	-172.9	0	0	0	0	0	113.2	P466 V470	P466-G468 PolarHBondContact O-N 3.33Å; P466-G468 VanDerWaalsContact O-N 3.14Å; G468-V470 VanDerWaalsContact C-N 3.34Å; G468-V470 PolarHBondContact O-N 2.97Å
469	S	77.5	Confident	69.6	Low	36 Å²	36	54.5 Å²	54.5	25%	0.252	32%	0.315	S	S	.	.			trans	-75.7	87.3	174.8	-60	0	0	0	0	109	K431 L471 W472	K431-S469 WeakPolarHBondContact CD-OG 3.37Å; K431-S469 PolarHBondContact NZ-OG 3.43Å; S469-L471 PolarHBondContact O-N 3.42Å; S469-W472 VanDerWaalsContact CB-CE3 3.44Å; S469-W472 PolarHBondContact O-N 3.03Å; S469-W472 VanDerWaalsContact O-N 3.16Å
470	V	87.4	Confident	71.7	Confident	15 Å²	15	55.5 Å²	55.5	9%	0.091	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.7	-25.2	-170.7	-96.9	0	0	0	0	115.5	P466 G468 W472 M473 R515 I519	P466-V470 HydrophobicContact CB-CG1 4.47Å; G468-V470 VanDerWaalsContact C-N 3.34Å; G468-V470 PolarHBondContact O-N 2.97Å; V470-W472 PolarHBondContact O-N 3.21Å; V470-M473 HydrophobicContact CG1-SD 3.95Å; V470-M473 PolarHBondContact O-N 2.83Å; V470-R515 HydrophobicContact CG2-CG 3.8Å; V470-I519 HydrophobicContact CB-CG1 4.32Å; V470-I519 HydrophobicContact CG1-CD1 3.82Å; V470-I519 HydrophobicContact CG1-CG1 3.56Å
471	L	93.9	Very high	73.7	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.173	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26.5	-179.8	-54	178.9	0	0	0	113.4	S469 L507 P508 Y509 I518	S469-L471 PolarHBondContact O-N 3.42Å; L471-L507 HydrophobicContact CD1-CB 4.3Å; L471-L507 HydrophobicContact CD1-CD1 4.24Å; L471-L507 HydrophobicContact CD1-CD2 4.2Å; L471-L507 HydrophobicContact CD1-CG 4.49Å; L471-P508 HydrophobicContact CB-CG 4.06Å; L471-Y509 HydrophobicContact CD2-CD2 3.81Å; L471-Y509 HydrophobicContact CD2-CE2 4.46Å; L471-I518 HydrophobicContact CD2-CD1 4.14Å
472	W	95.8	Very high	75.7	Confident	16 Å²	16	55.4 Å²	55.4	6%	0.061	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-99.8	-2.5	-179.8	-63.9	-96.1	0	0	0	113.1	Y391 K431 S469 V470 A494 V497 E501 L507	Y391-W472 HydrophobicContact CD2-CH2 4.44Å; Y391-W472 HydrophobicContact CE2-CH2 4.38Å; K431-W472 HydrophobicContact CB-CD2 3.57Å; K431-W472 HydrophobicContact CB-CE3 4.09Å; K431-W472 HydrophobicContact CB-CG 3.76Å; K431-W472 HydrophobicContact CB-CZ2 4.19Å; S469-W472 VanDerWaalsContact CB-CE3 3.44Å; S469-W472 PolarHBondContact O-N 3.03Å; S469-W472 VanDerWaalsContact O-N 3.16Å; V470-W472 PolarHBondContact O-N 3.21Å; W472-A494 HydrophobicContact CB-CB 4.21Å; W472-A494 WeakPolarHBondContact O-CA 3.26Å; W472-A494 WeakPolarHBondContact O-CB 3.37Å; W472-V497 VanDerWaalsContact CD1-CG1 3.47Å; W472-V497 HydrophobicContact CD2-CG1 4.42Å; W472-V497 HydrophobicContact CG-CB 4.29Å; W472-V497 HydrophobicContact CG-CG1 3.98Å; W472-E501 WeakPolarHBondContact CZ2-OE2 3.48Å; W472-E501 PolarHBondContact NE1-OE2 3.44Å; W472-L507 HydrophobicContact CH2-CD2 3.88Å; W472-L507 HydrophobicContact CZ2-CD2 3.9Å
473	M	93.4	Very high	77.3	Confident	23 Å²	23	57.2 Å²	57.2	11%	0.113	31%	0.309	C	S	.	.			trans	-81.6	128	-174.2	-64.3	-174.3	68.4	0	0	111.2	P466 V470 V477 I478 Y493	P466-M473 HydrophobicContact CB-CE 3.69Å; P466-M473 HydrophobicContact CB-SD 3.83Å; P466-M473 HydrophobicContact CG-CE 4.48Å; V470-M473 HydrophobicContact CG1-SD 3.95Å; V470-M473 PolarHBondContact O-N 2.83Å; M473-V477 HydrophobicContact CE-CB 4.19Å; M473-V477 HydrophobicContact CE-CG1 3.42Å; M473-V477 VanDerWaalsContact CE-CG1 3.42Å; M473-I478 HydrophobicContact CB-CD1 4.11Å; M473-I478 HydrophobicContact CB-CG1 3.74Å; M473-Y493 WeakPolarHBondContact O-CE1 3.41Å
474	A	95.1	Very high	79.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	29%	0.29	C	S	.	.			trans	-66.4	153.2	173.5	0	0	0	0	0	111.4	E476 V477 I478 Y493	A474-E476 VanDerWaalsContact C-N 3.29Å; A474-E476 VanDerWaalsContact CB-CD 3.45Å; A474-E476 VanDerWaalsContact CB-OE1 3.29Å; A474-E476 WeakPolarHBondContact CB-OE1 3.39Å; A474-E476 VanDerWaalsContact CB-OE2 3.31Å; A474-E476 WeakPolarHBondContact CB-OE2 3.44Å; A474-E476 PolarHBondContact O-N 2.96Å; A474-V477 HydrophobicContact CB-CG2 4.17Å; A474-V477 WeakPolarHBondContact O-CA 3.45Å; A474-V477 WeakPolarHBondContact O-CB 3.42Å; A474-V477 PolarHBondContact O-N 3.25Å; A474-I478 PolarHBondContact O-N 2.92Å; A474-Y493 VanDerWaalsContact CA-CD1 3.45Å; A474-Y493 HydrophobicContact CB-CD1 3.79Å; A474-Y493 HydrophobicContact CB-CD2 4.26Å; A474-Y493 HydrophobicContact CB-CG 3.65Å
475	A	94.1	Very high	81.1	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-38.5	-175.9	0	0	0	0	0	112.9	V477 I478 R479 V522 F552	A475-V477 VanDerWaalsContact C-N 3.3Å; A475-V477 PolarHBondContact O-N 3.48Å; A475-I478 PolarHBondContact O-N 3.39Å; A475-R479 WeakPolarHBondContact O-CG 3.46Å; A475-R479 PolarHBondContact O-N 3.01Å; A475-V522 HydrophobicContact CB-CG1 4.48Å; A475-V522 WeakPolarHBondContact CB-O 3.49Å; A475-F552 HydrophobicContact CB-CD2 3.78Å; A475-F552 HydrophobicContact CB-CE2 3.41Å; A475-F552 VanDerWaalsContact CB-CE2 3.41Å; A475-F552 HydrophobicContact CB-CZ 4.24Å
476	E	93.9	Very high	83.1	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-32	175.3	69.5	-80.9	-169.1	0	0	113.2	A474 M480 P485 R557	A474-E476 VanDerWaalsContact C-N 3.29Å; A474-E476 VanDerWaalsContact CB-CD 3.45Å; A474-E476 VanDerWaalsContact CB-OE1 3.29Å; A474-E476 WeakPolarHBondContact CB-OE1 3.39Å; A474-E476 VanDerWaalsContact CB-OE2 3.31Å; A474-E476 WeakPolarHBondContact CB-OE2 3.44Å; A474-E476 PolarHBondContact O-N 2.96Å; E476-M480 PolarHBondContact O-N 2.92Å; E476-P485 WeakPolarHBondContact O-CB 3.38Å; E476-R557 IonicContact OE1-CZ 3.91Å; E476-R557 IonicContact OE1-NH1 2.81Å; E476-R557 PolarHBondContact OE1-NH1 2.69Å; E476-R557 IonicContact OE1-NH2 2.81Å; E476-R557 PolarHBondContact OE1-NH2 3.44Å; E476-R557 IonicContact OE2-CZ 2.71Å; E476-R557 IonicContact OE2-NH1 3.64Å; E476-R557 IonicContact OE2-NH2 3.8Å; E476-R557 PolarHBondContact OE2-NH2 3.17Å
477	V	91.4	Very high	85.1	Confident	4 Å²	4	44 Å²	44	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-76.3	-35.6	175.4	-171	0	0	0	0	110.9	M473 A474 A475 M480 P485 Y486	M473-V477 HydrophobicContact CE-CB 4.19Å; M473-V477 HydrophobicContact CE-CG1 3.42Å; M473-V477 VanDerWaalsContact CE-CG1 3.42Å; A474-V477 HydrophobicContact CB-CG2 4.17Å; A474-V477 WeakPolarHBondContact O-CA 3.45Å; A474-V477 WeakPolarHBondContact O-CB 3.42Å; A474-V477 PolarHBondContact O-N 3.25Å; A475-V477 VanDerWaalsContact C-N 3.3Å; A475-V477 PolarHBondContact O-N 3.48Å; V477-M480 VanDerWaalsContact O-CG 3.24Å; V477-M480 WeakPolarHBondContact O-CG 3.35Å; V477-P485 HydrophobicContact CG2-CB 4.45Å; V477-Y486 HydrophobicContact CG1-CD1 4.04Å; V477-Y486 HydrophobicContact CG1-CE1 3.43Å; V477-Y486 VanDerWaalsContact CG1-CE1 3.43Å; V477-Y486 HydrophobicContact CG1-CE2 3.96Å; V477-Y486 HydrophobicContact CG2-CD1 4.35Å; V477-Y486 HydrophobicContact CG2-CE1 4.49Å
478	I	90.8	Very high	87.4	Confident	14 Å²	14	42.9 Å²	42.9	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-43.1	173.5	-71.9	170.8	0	0	0	111.1	M473 A474 A475 I519 V522	M473-I478 HydrophobicContact CB-CD1 4.11Å; M473-I478 HydrophobicContact CB-CG1 3.74Å; A474-I478 PolarHBondContact O-N 2.92Å; A475-I478 PolarHBondContact O-N 3.39Å; I478-I519 HydrophobicContact CG2-CG2 3.65Å; I478-I519 WeakPolarHBondContact CG2-O 3.3Å; I478-V522 HydrophobicContact CD1-CB 3.88Å; I478-V522 HydrophobicContact CD1-CG1 3.62Å
479	R	88.8	Confident	89.2	Confident	79 Å²	79	43.8 Å²	43.8	30%	0.298	23%	0.226	S	C	.	.	H	α-helix	trans	-70.9	-29.5	-177.4	-72.7	-165.5	-55.6	-82.8	-2.4	113.6	A475 Q481 G523 F552	A475-R479 WeakPolarHBondContact O-CG 3.46Å; A475-R479 PolarHBondContact O-N 3.01Å; R479-Q481 HydrophobicContact CB-CG 4.06Å; R479-Q481 PolarHBondContact O-N 2.95Å; R479-G523 VanDerWaalsContact CD-O 3.31Å; R479-G523 WeakPolarHBondContact CD-O 3.47Å; R479-G523 PolarHBondContact NH1-O 2.95Å; R479-F552 VanDerWaalsContact NH1-CZ 3.26Å
480	M	84.7	Confident	90.1	Very high	87 Å²	87	42.4 Å²	42.4	43%	0.429	22%	0.216	S	C	.	.			trans	51	28.6	-177.8	-63.5	-67.9	-68.8	0	0	114	E476 V477 P485	E476-M480 PolarHBondContact O-N 2.92Å; V477-M480 VanDerWaalsContact O-CG 3.24Å; V477-M480 WeakPolarHBondContact O-CG 3.35Å; M480-P485 HydrophobicContact CE-CG 4.25Å; M480-P485 HydrophobicContact SD-CG 3.61Å
481	Q	84.9	Confident	90.6	Very high	141 Å²	141	41.8 Å²	41.8	66%	0.659	21%	0.212	S	C	*	.			trans	-82	-30	-178.2	-74.6	169.5	-10.6	0	0	112.5	R479	R479-Q481 HydrophobicContact CB-CG 4.06Å; R479-Q481 PolarHBondContact O-N 2.95Å
482	D	81.8	Confident	90.8	Very high	57 Å²	57	40.2 Å²	40.2	31%	0.305	20%	0.204	S	C	.	.	S	Bend	trans	-80.4	148.2	178.2	-70.7	2.4	0	0	0	110.4	N484 P485 R554	D482-N484 PolarHBondContact O-N 2.99Å; D482-P485 HydrophobicContact CB-CB 4.44Å; D482-P485 WeakPolarHBondContact O-CD 3.49Å; D482-R554 IonicContact OD2-CZ 3.63Å; D482-R554 VanDerWaalsContact OD2-CZ 3.23Å; D482-R554 IonicContact OD2-NH1 3.71Å; D482-R554 PolarHBondContact OD2-NH1 3.06Å; D482-R554 IonicContact OD2-NH2 3.75Å; D482-R554 PolarHBondContact OD2-NH2 3.46Å
483	P	76.1	Confident	90.9	Very high	145 Å²	145	39.9 Å²	39.9	94%	0.942	20%	0.203	S	C	*	.	S	Bend	trans	-59.1	-30.8	174.7	-22.9	32.1	0	0	0	113.4
484	N	81.5	Confident	91.1	Very high	86 Å²	86	39.1 Å²	39.1	46%	0.46	20%	0.2	S	C	.	.			trans	-137.6	85.6	175.2	-177.4	55.2	0	0	0	109.9	D482 Y486	D482-N484 PolarHBondContact O-N 2.99Å; N484-Y486 VanDerWaalsContact C-N 3.3Å; N484-Y486 PolarHBondContact ND2-O 3.39Å; N484-Y486 PolarHBondContact O-N 3.42Å; N484-Y486 PolarHBondContact OD1-O 3.33Å
485	P	86.6	Confident	91.3	Very high	6 Å²	6	39 Å²	39	4%	0.039	20%	0.199	C	C	.	.			trans	-75.3	-23.9	-176.8	29.7	-32.2	0	0	0	112.2	E476 V477 M480 D482 S487	E476-P485 WeakPolarHBondContact O-CB 3.38Å; V477-P485 HydrophobicContact CG2-CB 4.45Å; M480-P485 HydrophobicContact CE-CG 4.25Å; M480-P485 HydrophobicContact SD-CG 3.61Å; D482-P485 HydrophobicContact CB-CB 4.44Å; D482-P485 WeakPolarHBondContact O-CD 3.49Å; P485-S487 PolarHBondContact O-N 3.1Å
486	Y	89.2	Confident	91.5	Very high	52 Å²	52	39 Å²	39	20%	0.204	20%	0.198	C	C	.	.			trans	-76	122.2	174.4	-66	-83.4	0	0	0	110.9	R428 V477 N484	R428-Y486 HydrophobicContact CB-CD1 3.66Å; R428-Y486 HydrophobicContact CB-CE1 3.89Å; R428-Y486 HydrophobicContact CB-CG 4.41Å; R428-Y486 HydrophobicContact CG-CD1 3.74Å; R428-Y486 HydrophobicContact CG-CE1 4.43Å; R428-Y486 HydrophobicContact CG-CG 4.06Å; V477-Y486 HydrophobicContact CG1-CD1 4.04Å; V477-Y486 HydrophobicContact CG1-CE1 3.43Å; V477-Y486 VanDerWaalsContact CG1-CE1 3.43Å; V477-Y486 HydrophobicContact CG1-CE2 3.96Å; V477-Y486 HydrophobicContact CG2-CD1 4.35Å; V477-Y486 HydrophobicContact CG2-CE1 4.49Å; N484-Y486 VanDerWaalsContact C-N 3.3Å; N484-Y486 PolarHBondContact ND2-O 3.39Å; N484-Y486 PolarHBondContact O-N 3.42Å; N484-Y486 PolarHBondContact OD1-O 3.33Å
487	S	92.8	Very high	91.7	Very high	14 Å²	14	38.6 Å²	38.6	10%	0.098	20%	0.197	C	C	.	.			trans	-144	174.5	-175.8	59.8	0	0	0	0	110.6	I426 P485 Q489 S490 D491	I426-S487 WeakPolarHBondContact CG2-O 3.29Å; P485-S487 PolarHBondContact O-N 3.1Å; S487-Q489 PolarHBondContact O-N 2.8Å; S487-Q489 PolarHBondContact OG-N 2.85Å; S487-S490 PolarHBondContact N-OG 3.13Å; S487-S490 PolarHBondContact O-N 2.94Å; S487-S490 PolarHBondContact O-OG 3.42Å; S487-S490 PolarHBondContact OG-N 2.87Å; S487-S490 VanDerWaalsContact OG-N 3.13Å; S487-D491 PolarHBondContact O-N 3.19Å
488	F	96	Very high	92	Very high	50 Å²	50	38.4 Å²	38.4	22%	0.219	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-37	168.9	-64.1	-25.8	0	0	0	111.3	H421 N424 I426 S490 D491 V492 L559	H421-F488 HydrophobicContact CB-CD1 4.16Å; H421-F488 HydrophobicContact CB-CE1 4.16Å; H421-F488 HydrophobicContact CB-CG 4.45Å; H421-F488 HydrophobicContact CB-CZ 4.42Å; H421-F488 AromaticContact CD2-CD1 3.62Å; H421-F488 VanDerWaalsContact CE1-CA 3.43Å; H421-F488 WeakPolarHBondContact CE1-CA 3.39Å; H421-F488 VanDerWaalsContact CE1-CB 3.47Å; H421-F488 WeakPolarHBondContact CE1-CB 3.4Å; H421-F488 AromaticContact CE1-CD1 3.67Å; H421-F488 AromaticContact CE1-CG 3.82Å; H421-F488 PolarHBondContact CE1-O 3.48Å; H421-F488 AromaticContact CG-CD1 3.53Å; H421-F488 AromaticContact CG-CE1 3.95Å; H421-F488 AromaticContact CG-CG 3.91Å; H421-F488 WeakPolarHBondContact ND1-CB 3.38Å; H421-F488 AromaticContact ND1-CD1 3.56Å; H421-F488 AromaticContact ND1-CG 3.52Å; H421-F488 AromaticContact NE2-CD1 3.69Å; N424-F488 WeakPolarHBondContact OD1-CZ 3.45Å; I426-F488 HydrophobicContact CG1-CD1 3.79Å; I426-F488 HydrophobicContact CG1-CE1 3.76Å; F488-S490 VanDerWaalsContact C-N 3.33Å; F488-S490 PolarHBondContact O-N 3.31Å; F488-D491 WeakPolarHBondContact O-CB 3.42Å; F488-D491 PolarHBondContact O-N 3.07Å; F488-V492 WeakPolarHBondContact O-CG2 3.46Å; F488-V492 PolarHBondContact O-N 3.33Å; F488-L559 HydrophobicContact CB-CD2 3.96Å
489	Q	97.6	Very high	92.4	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-70.9	-26.5	179.4	-64	83.6	-7.4	0	0	113	S487 V492 Y493 R554 R557 L559	S487-Q489 PolarHBondContact O-N 2.8Å; S487-Q489 PolarHBondContact OG-N 2.85Å; Q489-V492 PolarHBondContact O-N 2.85Å; Q489-Y493 PolarHBondContact O-N 2.82Å; Q489-Y493 VanDerWaalsContact O-N 3.08Å; Q489-R554 HydrophobicContact CB-CB 3.86Å; Q489-R554 VanDerWaalsContact CG-O 3.31Å; Q489-R554 WeakPolarHBondContact CG-O 3.47Å; Q489-R557 WeakPolarHBondContact O-CD 3.45Å; Q489-R557 PolarHBondContact O-NH1 3.37Å; Q489-L559 HydrophobicContact CG-CD2 4.34Å
490	S	95.8	Very high	92.8	Very high	7 Å²	7	34 Å²	34	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-37.2	171.9	66.5	0	0	0	0	111.8	S487 F488 V492 Y493 A494	S487-S490 PolarHBondContact N-OG 3.13Å; S487-S490 PolarHBondContact O-N 2.94Å; S487-S490 PolarHBondContact O-OG 3.42Å; S487-S490 PolarHBondContact OG-N 2.87Å; S487-S490 VanDerWaalsContact OG-N 3.13Å; F488-S490 VanDerWaalsContact C-N 3.33Å; F488-S490 PolarHBondContact O-N 3.31Å; S490-V492 VanDerWaalsContact C-N 3.32Å; S490-Y493 PolarHBondContact O-N 2.98Å; S490-A494 PolarHBondContact O-N 2.88Å
491	D	97.4	Very high	93.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-36.5	171.8	-75.8	-13.9	0	0	0	111.4	M417 H421 I426 H427 R428 S487 F488 Y493 A494 Y495 F560	M417-D491 HydrophobicContact CE-CB 3.77Å; H421-D491 IonicContact CD2-OD2 2.69Å; H421-D491 IonicContact CE1-OD2 3.23Å; H421-D491 IonicContact NE2-OD2 2.83Å; H421-D491 PolarHBondContact NE2-OD2 2.87Å; I426-D491 WeakPolarHBondContact CG2-OD2 3.36Å; H427-D491 PolarHBondContact N-OD1 3.44Å; H427-D491 PolarHBondContact N-OD2 3.48Å; R428-D491 PolarHBondContact N-OD1 3.31Å; S487-D491 PolarHBondContact O-N 3.19Å; F488-D491 WeakPolarHBondContact O-CB 3.42Å; F488-D491 PolarHBondContact O-N 3.07Å; D491-Y493 VanDerWaalsContact C-N 3.34Å; D491-A494 PolarHBondContact O-N 3.2Å; D491-Y495 WeakPolarHBondContact O-CB 3.31Å; D491-Y495 PolarHBondContact O-N 2.95Å; D491-F560 HydrophobicContact CB-CE2 4.41Å
492	V	98.6	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-40.3	175.3	169.1	0	0	0	0	111.5	F488 Q489 S490 Y495 G496 C549 R557 P558 F560 I563	F488-V492 WeakPolarHBondContact O-CG2 3.46Å; F488-V492 PolarHBondContact O-N 3.33Å; Q489-V492 PolarHBondContact O-N 2.85Å; S490-V492 VanDerWaalsContact C-N 3.32Å; V492-Y495 WeakPolarHBondContact O-CB 3.31Å; V492-Y495 PolarHBondContact O-N 2.84Å; V492-G496 PolarHBondContact O-N 2.84Å; V492-C549 HydrophobicContact CG1-CB 3.96Å; V492-R557 HydrophobicContact CG1-CB 3.97Å; V492-P558 WeakPolarHBondContact CG1-O 3.31Å; V492-P558 VanDerWaalsContact CG2-O 3.3Å; V492-P558 WeakPolarHBondContact CG2-O 3.46Å; V492-F560 HydrophobicContact CG2-CD2 4.07Å; V492-F560 HydrophobicContact CG2-CE2 3.78Å; V492-F560 HydrophobicContact CG2-CZ 4.32Å; V492-I563 HydrophobicContact CG1-CD1 3.86Å; V492-I563 HydrophobicContact CG2-CD1 4.02Å
493	Y	98.4	Very high	94.5	Very high	9 Å²	9	21.1 Å²	21.1	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-47.1	174.7	-176.4	-85.1	0	0	0	111.5	M473 A474 Q489 S490 D491 Y495 G496 V497 C549 L550	M473-Y493 WeakPolarHBondContact O-CE1 3.41Å; A474-Y493 VanDerWaalsContact CA-CD1 3.45Å; A474-Y493 HydrophobicContact CB-CD1 3.79Å; A474-Y493 HydrophobicContact CB-CD2 4.26Å; A474-Y493 HydrophobicContact CB-CG 3.65Å; Q489-Y493 PolarHBondContact O-N 2.82Å; Q489-Y493 VanDerWaalsContact O-N 3.08Å; S490-Y493 PolarHBondContact O-N 2.98Å; D491-Y493 VanDerWaalsContact C-N 3.34Å; Y493-Y495 VanDerWaalsContact C-N 3.27Å; Y493-Y495 PolarHBondContact O-N 3.39Å; Y493-G496 WeakPolarHBondContact O-CA 3.29Å; Y493-G496 PolarHBondContact O-N 2.84Å; Y493-V497 HydrophobicContact CD1-CG2 4.25Å; Y493-V497 HydrophobicContact CE1-CG2 3.9Å; Y493-V497 PolarHBondContact O-N 2.72Å; Y493-C549 WeakPolarHBondContact CA-O 3.29Å; Y493-L550 HydrophobicContact CD2-CD2 4.19Å; Y493-L550 HydrophobicContact CE1-CD2 4.48Å; Y493-L550 HydrophobicContact CE2-CD2 3.99Å
494	A	97.9	Very high	95.4	Very high	6 Å²	6	15.8 Å²	15.8	5%	0.05	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-39.7	176.1	0	0	0	0	0	111.9	L430 W472 S490 D491 V497 V498	L430-A494 HydrophobicContact CB-CB 4.01Å; L430-A494 WeakPolarHBondContact O-CB 3.43Å; W472-A494 HydrophobicContact CB-CB 4.21Å; W472-A494 WeakPolarHBondContact O-CA 3.26Å; W472-A494 WeakPolarHBondContact O-CB 3.37Å; S490-A494 PolarHBondContact O-N 2.88Å; D491-A494 PolarHBondContact O-N 3.2Å; A494-V497 PolarHBondContact O-N 3.25Å; A494-V498 PolarHBondContact O-N 3.35Å
495	Y	98.6	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-39.6	171.3	177.6	-102.7	0	0	0	112.6	A410 T413 A414 L430 D491 V492 Y493 V497 V498 L499 F560 I563 I567	A410-Y495 PolarHBondContact O-OH 2.79Å; T413-Y495 HydrophobicContact CG2-CD2 3.85Å; T413-Y495 HydrophobicContact CG2-CE2 3.76Å; A414-Y495 HydrophobicContact CB-CE2 4.31Å; L430-Y495 HydrophobicContact CD2-CD2 4.48Å; D491-Y495 WeakPolarHBondContact O-CB 3.31Å; D491-Y495 PolarHBondContact O-N 2.95Å; V492-Y495 WeakPolarHBondContact O-CB 3.31Å; V492-Y495 PolarHBondContact O-N 2.84Å; Y493-Y495 VanDerWaalsContact C-N 3.27Å; Y493-Y495 PolarHBondContact O-N 3.39Å; Y495-V497 VanDerWaalsContact C-N 3.26Å; Y495-V497 PolarHBondContact O-N 3.29Å; Y495-V498 CarbonylContact O-C 3.56Å; Y495-V498 WeakPolarHBondContact O-CA 3.47Å; Y495-V498 WeakPolarHBondContact O-CB 3.26Å; Y495-V498 PolarHBondContact O-N 2.95Å; Y495-V498 VanDerWaalsContact O-N 3.08Å; Y495-L499 HydrophobicContact CD1-CD1 4.08Å; Y495-L499 HydrophobicContact CD1-CG 4.17Å; Y495-L499 HydrophobicContact CE1-CD1 3.55Å; Y495-L499 HydrophobicContact CE1-CD2 4.03Å; Y495-L499 HydrophobicContact CE1-CG 3.72Å; Y495-L499 HydrophobicContact CE2-CD2 4.41Å; Y495-L499 PolarHBondContact O-N 2.77Å; Y495-F560 AromaticContact CD1-CE1 3.99Å; Y495-F560 HydrophobicContact CD1-CE1 3.99Å; Y495-F560 HydrophobicContact CD1-CZ 4.47Å; Y495-F560 AromaticContact CD2-CE1 4Å; Y495-F560 HydrophobicContact CD2-CE1 4Å; Y495-F560 HydrophobicContact CD2-CZ 4.42Å; Y495-F560 HydrophobicContact CE1-CE1 4.42Å; Y495-F560 HydrophobicContact CE2-CE1 4.43Å; Y495-F560 AromaticContact CG-CE1 3.75Å; Y495-F560 HydrophobicContact CG-CE1 3.75Å; Y495-F560 AromaticContact CG-CZ 3.99Å; Y495-F560 HydrophobicContact CG-CZ 3.99Å; Y495-I563 HydrophobicContact CD1-CD1 4.35Å; Y495-I563 HydrophobicContact CD1-CG2 4.31Å; Y495-I563 HydrophobicContact CE1-CG2 3.55Å; Y495-I567 WeakPolarHBondContact OH-CD1 3.38Å
496	G	98.3	Very high	96.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-36.5	172.7	0	0	0	0	0	113	V492 Y493 L499 Y500	V492-G496 PolarHBondContact O-N 2.84Å; Y493-G496 WeakPolarHBondContact O-CA 3.29Å; Y493-G496 PolarHBondContact O-N 2.84Å; G496-L499 WeakPolarHBondContact O-CB 3.45Å; G496-L499 PolarHBondContact O-N 2.87Å; G496-Y500 PolarHBondContact O-N 2.83Å
497	V	98.3	Very high	96.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.7	-38.8	172.7	179.4	0	0	0	0	111.2	W472 Y493 A494 Y495 L499 Y500 E501 P508 L550	W472-V497 VanDerWaalsContact CD1-CG1 3.47Å; W472-V497 HydrophobicContact CD2-CG1 4.42Å; W472-V497 HydrophobicContact CG-CB 4.29Å; W472-V497 HydrophobicContact CG-CG1 3.98Å; Y493-V497 HydrophobicContact CD1-CG2 4.25Å; Y493-V497 HydrophobicContact CE1-CG2 3.9Å; Y493-V497 PolarHBondContact O-N 2.72Å; A494-V497 PolarHBondContact O-N 3.25Å; Y495-V497 VanDerWaalsContact C-N 3.26Å; Y495-V497 PolarHBondContact O-N 3.29Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.46Å; V497-Y500 WeakPolarHBondContact O-CA 3.32Å; V497-Y500 VanDerWaalsContact O-CB 3.24Å; V497-Y500 WeakPolarHBondContact O-CB 3.06Å; V497-Y500 PolarHBondContact O-N 3.42Å; V497-Y500 VanDerWaalsContact O-N 3.11Å; V497-E501 WeakPolarHBondContact O-CG 3.33Å; V497-E501 PolarHBondContact O-N 3.4Å; V497-P508 HydrophobicContact CG1-CG 3.92Å; V497-L550 HydrophobicContact CG2-CD2 3.77Å
498	V	98.4	Very high	96.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-39.8	172.4	173.2	0	0	0	0	111.6	L390 I435 A494 Y495 Y500 E501 L502	L390-V498 HydrophobicContact CD2-CG1 3.94Å; I435-V498 HydrophobicContact CD1-CG1 3.8Å; I435-V498 HydrophobicContact CD1-CG2 4Å; A494-V498 PolarHBondContact O-N 3.35Å; Y495-V498 CarbonylContact O-C 3.56Å; Y495-V498 WeakPolarHBondContact O-CA 3.47Å; Y495-V498 WeakPolarHBondContact O-CB 3.26Å; Y495-V498 PolarHBondContact O-N 2.95Å; Y495-V498 VanDerWaalsContact O-N 3.08Å; V498-Y500 VanDerWaalsContact C-N 3.29Å; V498-Y500 PolarHBondContact O-N 3.37Å; V498-E501 PolarHBondContact O-N 3.1Å; V498-L502 HydrophobicContact CG1-CD1 4.22Å; V498-L502 WeakPolarHBondContact O-CG 3.46Å; V498-L502 PolarHBondContact O-N 3.25Å
499	L	98	Very high	96.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-39.7	172.2	-70.4	-176.9	0	0	0	111.6	A410 Y495 G496 V497 L502 M503 M542 L545 L546	A410-L499 HydrophobicContact CB-CD2 3.59Å; Y495-L499 HydrophobicContact CD1-CD1 4.08Å; Y495-L499 HydrophobicContact CD1-CG 4.17Å; Y495-L499 HydrophobicContact CE1-CD1 3.55Å; Y495-L499 HydrophobicContact CE1-CD2 4.03Å; Y495-L499 HydrophobicContact CE1-CG 3.72Å; Y495-L499 HydrophobicContact CE2-CD2 4.41Å; Y495-L499 PolarHBondContact O-N 2.77Å; G496-L499 WeakPolarHBondContact O-CB 3.45Å; G496-L499 PolarHBondContact O-N 2.87Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.46Å; L499-L502 HydrophobicContact CD2-CD1 4.41Å; L499-L502 PolarHBondContact O-N 2.82Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CG 3.41Å; L499-M503 PolarHBondContact O-N 2.8Å; L499-M542 HydrophobicContact CD1-SD 4.46Å; L499-M542 HydrophobicContact CD2-SD 4.19Å; L499-L545 HydrophobicContact CD1-CG 4.43Å; L499-L546 HydrophobicContact CB-CB 4.23Å; L499-L546 HydrophobicContact CB-CD1 4Å; L499-L546 HydrophobicContact CB-CG 3.88Å; L499-L546 HydrophobicContact CD1-CB 4.19Å
500	Y	97.6	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-45.7	174.2	-176.1	-88.6	0	0	0	112.2	G496 V497 V498 L502 M503 T504 P508 P529 D530 L531	G496-Y500 PolarHBondContact O-N 2.83Å; V497-Y500 WeakPolarHBondContact O-CA 3.32Å; V497-Y500 VanDerWaalsContact O-CB 3.24Å; V497-Y500 WeakPolarHBondContact O-CB 3.06Å; V497-Y500 PolarHBondContact O-N 3.42Å; V497-Y500 VanDerWaalsContact O-N 3.11Å; V498-Y500 VanDerWaalsContact C-N 3.29Å; V498-Y500 PolarHBondContact O-N 3.37Å; Y500-L502 PolarHBondContact O-N 2.82Å; Y500-M503 PolarHBondContact O-N 2.75Å; Y500-T504 HydrophobicContact CD1-CG2 4.36Å; Y500-T504 HydrophobicContact CD2-CG2 4.12Å; Y500-T504 HydrophobicContact CE1-CG2 4.1Å; Y500-T504 HydrophobicContact CE2-CG2 3.84Å; Y500-T504 HydrophobicContact CG-CG2 4.37Å; Y500-T504 WeakPolarHBondContact O-CB 3.48Å; Y500-T504 WeakPolarHBondContact O-CG2 3.49Å; Y500-T504 PolarHBondContact O-N 3.33Å; Y500-T504 PolarHBondContact O-OG1 2.88Å; Y500-P508 HydrophobicContact CD1-CB 4.23Å; Y500-P508 HydrophobicContact CE1-CB 4.12Å; Y500-P529 HydrophobicContact CD2-CB 3.73Å; Y500-P529 HydrophobicContact CE2-CB 3.82Å; Y500-P529 HydrophobicContact CG-CB 4.17Å; Y500-D530 WeakPolarHBondContact CE2-O 3.46Å; Y500-D530 PolarHBondContact OH-O 3.33Å; Y500-L531 HydrophobicContact CD2-CD2 4.16Å; Y500-L531 HydrophobicContact CE2-CD2 4.37Å
501	E	97.1	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-45.8	175.9	-65.6	175.3	84.3	0	0	111.2	L394 H395 S432 W472 V497 V498 M503 G505 L507	L394-E501 HydrophobicContact CD1-CB 3.91Å; H395-E501 IonicContact CD2-OE1 2.68Å; H395-E501 IonicContact CE1-OE1 3.17Å; H395-E501 IonicContact NE2-OE1 3.83Å; H395-E501 PolarHBondContact NE2-OE1 3.03Å; S432-E501 VanDerWaalsContact CB-OE1 3.31Å; S432-E501 WeakPolarHBondContact CB-OE1 3.48Å; S432-E501 PolarHBondContact OG-OE1 3.33Å; S432-E501 PolarHBondContact OG-OE2 3.48Å; W472-E501 WeakPolarHBondContact CZ2-OE2 3.48Å; W472-E501 PolarHBondContact NE1-OE2 3.44Å; V497-E501 WeakPolarHBondContact O-CG 3.33Å; V497-E501 PolarHBondContact O-N 3.4Å; V498-E501 PolarHBondContact O-N 3.1Å; E501-M503 VanDerWaalsContact C-N 3.35Å; E501-M503 PolarHBondContact O-N 2.83Å; E501-G505 VanDerWaalsContact O-CA 3.27Å; E501-G505 WeakPolarHBondContact O-CA 3.47Å; E501-G505 PolarHBondContact O-N 3.5Å; E501-L507 HydrophobicContact CG-CD2 4.29Å
502	L	96.3	Very high	95.4	Very high	5 Å²	5	20 Å²	20	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-40	178.4	-72.5	168.4	0	0	0	112.6	L390 L394 L406 V409 A410 V498 L499 Y500	L390-L502 HydrophobicContact CD1-CD2 3.92Å; L390-L502 HydrophobicContact CD2-CD2 4.08Å; L390-L502 HydrophobicContact CD2-CG 4.41Å; L394-L502 HydrophobicContact CD1-CD2 4.24Å; L406-L502 WeakPolarHBondContact CD1-O 3.4Å; L406-L502 HydrophobicContact CD2-CB 4.33Å; L406-L502 HydrophobicContact CD2-CD2 3.71Å; V409-L502 HydrophobicContact CB-CD2 4.48Å; V409-L502 HydrophobicContact CG1-CD1 4.34Å; V409-L502 HydrophobicContact CG1-CD2 4.02Å; A410-L502 HydrophobicContact CB-CD1 3.98Å; V498-L502 HydrophobicContact CG1-CD1 4.22Å; V498-L502 WeakPolarHBondContact O-CG 3.46Å; V498-L502 PolarHBondContact O-N 3.25Å; L499-L502 HydrophobicContact CD2-CD1 4.41Å; L499-L502 PolarHBondContact O-N 2.82Å; Y500-L502 PolarHBondContact O-N 2.82Å
503	M	95.1	Very high	94.8	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-87.5	-17.9	-173	-64	-60.8	102	0	0	114.2	M403 L406 L499 Y500 E501 I534 M542 L546	M403-M503 HydrophobicContact SD-CE 4.43Å; M403-M503 HydrophobicContact SD-SD 4.21Å; L406-M503 HydrophobicContact CB-CE 3.81Å; L406-M503 HydrophobicContact CD1-CE 4.35Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CG 3.41Å; L499-M503 PolarHBondContact O-N 2.8Å; Y500-M503 PolarHBondContact O-N 2.75Å; E501-M503 VanDerWaalsContact C-N 3.35Å; E501-M503 PolarHBondContact O-N 2.83Å; M503-I534 HydrophobicContact CB-CG1 4.37Å; M503-I534 HydrophobicContact CB-CG2 4.18Å; M503-M542 HydrophobicContact CG-CG 4.22Å; M503-M542 HydrophobicContact SD-CG 3.7Å; M503-L546 HydrophobicContact CB-CD1 4.32Å; M503-L546 HydrophobicContact CG-CD1 4.14Å
504	T	94	Very high	94.4	Very high	33 Å²	33	26.8 Å²	26.8	20%	0.202	18%	0.184	C	C	.	.	H	α-helix	trans	-114.4	-18.9	-179.5	67.5	0	0	0	0	113.5	Y500 S506 K533 I534	Y500-T504 HydrophobicContact CD1-CG2 4.36Å; Y500-T504 HydrophobicContact CD2-CG2 4.12Å; Y500-T504 HydrophobicContact CE1-CG2 4.1Å; Y500-T504 HydrophobicContact CE2-CG2 3.84Å; Y500-T504 HydrophobicContact CG-CG2 4.37Å; Y500-T504 WeakPolarHBondContact O-CB 3.48Å; Y500-T504 WeakPolarHBondContact O-CG2 3.49Å; Y500-T504 PolarHBondContact O-N 3.33Å; Y500-T504 PolarHBondContact O-OG1 2.88Å; T504-S506 PolarHBondContact O-N 2.79Å; T504-S506 PolarHBondContact OG1-N 2.86Å; T504-S506 VanDerWaalsContact OG1-N 3.12Å; T504-S506 PolarHBondContact OG1-O 3.13Å; T504-S506 PolarHBondContact OG1-OG 3.21Å; T504-K533 HydrophobicContact CG2-CB 4.15Å; T504-I534 HydrophobicContact CG2-CG1 3.74Å
505	G	93.7	Very high	94	Very high	40 Å²	40	31.5 Å²	31.5	41%	0.412	20%	0.2	S	C	.	.	S	Bend	trans	66.3	15.4	-169.8	0	0	0	0	0	113.6	E501	E501-G505 VanDerWaalsContact O-CA 3.27Å; E501-G505 WeakPolarHBondContact O-CA 3.47Å; E501-G505 PolarHBondContact O-N 3.5Å
506	S	93.3	Very high	93.6	Very high	33 Å²	33	36 Å²	36	23%	0.231	23%	0.225	C	C	.	.	S	Bend	trans	-136.6	154.4	-173.2	72.8	0	0	0	0	112.5	T504	T504-S506 PolarHBondContact O-N 2.79Å; T504-S506 PolarHBondContact OG1-N 2.86Å; T504-S506 VanDerWaalsContact OG1-N 3.12Å; T504-S506 PolarHBondContact OG1-O 3.13Å; T504-S506 PolarHBondContact OG1-OG 3.21Å
507	L	94.4	Very high	93.4	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.209	25%	0.246	C	C	.	.			trans	-75.4	145.6	171.4	-69	171.5	0	0	0	111	Y391 L471 W472 E501	Y391-L507 HydrophobicContact CE2-CD1 4.07Å; Y391-L507 HydrophobicContact CE2-CD2 4.06Å; L471-L507 HydrophobicContact CD1-CB 4.3Å; L471-L507 HydrophobicContact CD1-CD1 4.24Å; L471-L507 HydrophobicContact CD1-CD2 4.2Å; L471-L507 HydrophobicContact CD1-CG 4.49Å; W472-L507 HydrophobicContact CH2-CD2 3.88Å; W472-L507 HydrophobicContact CZ2-CD2 3.9Å; E501-L507 HydrophobicContact CG-CD2 4.29Å
508	P	94.2	Very high	93.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.013	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	155.2	175.1	32.3	-38.3	0	0	0	110.7	L471 V497 Y500 S510 P529	L471-P508 HydrophobicContact CB-CG 4.06Å; V497-P508 HydrophobicContact CG1-CG 3.92Å; Y500-P508 HydrophobicContact CD1-CB 4.23Å; Y500-P508 HydrophobicContact CE1-CB 4.12Å; P508-S510 PolarHBondContact O-N 2.85Å; P508-P529 HydrophobicContact CB-CB 4.16Å; P508-P529 HydrophobicContact CB-CG 4.17Å
509	Y	93.9	Very high	92.8	Very high	8 Å²	8	42.5 Å²	42.5	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	25.1	174.2	-32.3	-55.7	0	0	0	114.8	L471 H511 I512 I518 V522 L527 P529	L471-Y509 HydrophobicContact CD2-CD2 3.81Å; L471-Y509 HydrophobicContact CD2-CE2 4.46Å; Y509-H511 PolarHBondContact O-N 3.44Å; Y509-I512 PolarHBondContact O-N 3.14Å; Y509-I518 HydrophobicContact CD2-CD1 4.43Å; Y509-I518 HydrophobicContact CD2-CG2 3.7Å; Y509-I518 HydrophobicContact CE2-CG2 4.05Å; Y509-I518 HydrophobicContact CG-CG2 4.38Å; Y509-V522 HydrophobicContact CE1-CG2 4.47Å; Y509-V522 HydrophobicContact CE2-CG2 4.11Å; Y509-L527 HydrophobicContact CD1-CD1 3.9Å; Y509-L527 HydrophobicContact CD1-CD2 3.53Å; Y509-L527 HydrophobicContact CD1-CG 3.59Å; Y509-L527 HydrophobicContact CE1-CD1 4.19Å; Y509-L527 HydrophobicContact CE1-CD2 3.84Å; Y509-L527 HydrophobicContact CE1-CG 3.56Å; Y509-L527 HydrophobicContact CG-CD2 3.89Å; Y509-L527 HydrophobicContact CG-CG 4.45Å; Y509-P529 HydrophobicContact CE1-CG 4.19Å; Y509-P529 WeakPolarHBondContact OH-CD 3.45Å
510	S	88.9	Confident	92.5	Very high	83 Å²	83	48.2 Å²	48.2	58%	0.58	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.1	-178.5	67.8	0	0	0	0	115.5	P508 K533	P508-S510 PolarHBondContact O-N 2.85Å; S510-K533 PolarHBondContact OG-NZ 3.5Å
511	H	88	Confident	92.3	Very high	129 Å²	129	50.4 Å²	50.4	60%	0.597	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.6	177.3	60.3	-79.9	0	0	0	113.5	Y509	Y509-H511 PolarHBondContact O-N 3.44Å
512	I	90.7	Very high	92.2	Very high	22 Å²	22	50.7 Å²	50.7	11%	0.113	29%	0.293	C	S	.	.			trans	-108.3	112.4	-178.2	-53.9	-178.7	0	0	0	109.1	Y509 Q517 I518 M521 L527	Y509-I512 PolarHBondContact O-N 3.14Å; I512-Q517 HydrophobicContact CG2-CB 4.15Å; I512-Q517 HydrophobicContact CG2-CG 4.1Å; I512-I518 HydrophobicContact CB-CD1 4.27Å; I512-I518 HydrophobicContact CB-CG1 4Å; I512-I518 HydrophobicContact CD1-CG1 4.4Å; I512-I518 HydrophobicContact CG2-CD1 4.29Å; I512-I518 HydrophobicContact CG2-CG1 3.72Å; I512-M521 HydrophobicContact CD1-SD 4.24Å; I512-L527 HydrophobicContact CD1-CD1 4.17Å; I512-L527 HydrophobicContact CD1-CD2 3.57Å
513	G	85.9	Confident	92	Very high	90 Å²	90	50.7 Å²	50.7	93%	0.928	29%	0.294	S	S	*	.			trans	-80.7	-18.3	178.6	0	0	0	0	0	114.6
514	C	90.9	Very high	91.9	Very high	62 Å²	62	57.6 Å²	57.6	42%	0.419	32%	0.32	S	S	.	.			trans	-94.8	117.4	-175.9	-176.7	0	0	0	0	112.1	D516 Q517 I518	C514-D516 PolarHBondContact O-N 3.09Å; C514-Q517 HydrophobicContact CB-CB 3.8Å; C514-Q517 WeakPolarHBondContact O-CB 3.43Å; C514-Q517 PolarHBondContact O-N 2.64Å; C514-I518 PolarHBondContact O-N 2.92Å
515	R	88.9	Confident	91.8	Very high	104 Å²	104	57.3 Å²	57.3	39%	0.392	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-46.7	177.9	-176.5	-179.6	167.1	-122.2	-0.6	112.6	P466 V470 Q517 I518 I519	P466-R515 PolarHBondContact O-NH2 3.08Å; V470-R515 HydrophobicContact CG2-CG 3.8Å; R515-Q517 VanDerWaalsContact C-N 3.27Å; R515-Q517 PolarHBondContact O-N 3.3Å; R515-I518 WeakPolarHBondContact O-CB 3.31Å; R515-I518 PolarHBondContact O-N 3.21Å; R515-I519 HydrophobicContact CG-CD1 4.19Å; R515-I519 WeakPolarHBondContact O-CG1 3.05Å; R515-I519 PolarHBondContact O-N 2.95Å
516	D	90.1	Very high	91.7	Very high	96 Å²	96	62 Å²	62	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-30	-175.7	-63.7	-24.9	0	0	0	111.9	C514 I519 F520	C514-D516 PolarHBondContact O-N 3.09Å; D516-I519 PolarHBondContact O-N 2.65Å; D516-F520 WeakPolarHBondContact O-CB 3.24Å; D516-F520 PolarHBondContact O-N 2.98Å
517	Q	93.2	Very high	91.7	Very high	95 Å²	95	61.3 Å²	61.3	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-45	171.5	-175	177.7	8.5	0	0	111.2	I512 C514 R515 F520 M521	I512-Q517 HydrophobicContact CG2-CB 4.15Å; I512-Q517 HydrophobicContact CG2-CG 4.1Å; C514-Q517 HydrophobicContact CB-CB 3.8Å; C514-Q517 WeakPolarHBondContact O-CB 3.43Å; C514-Q517 PolarHBondContact O-N 2.64Å; R515-Q517 VanDerWaalsContact C-N 3.27Å; R515-Q517 PolarHBondContact O-N 3.3Å; Q517-F520 PolarHBondContact O-N 3.04Å; Q517-M521 HydrophobicContact CG-CG 4.29Å; Q517-M521 HydrophobicContact CG-SD 3.68Å; Q517-M521 WeakPolarHBondContact O-CB 3.36Å; Q517-M521 VanDerWaalsContact O-CG 3.24Å; Q517-M521 WeakPolarHBondContact O-CG 3.47Å; Q517-M521 PolarHBondContact O-N 3.07Å
518	I	92.3	Very high	91.5	Very high	11 Å²	11	62 Å²	62	6%	0.056	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-48.4	175.4	-63.4	171.1	0	0	0	110.2	L471 Y509 I512 C514 R515 F520 M521 V522 L527	L471-I518 HydrophobicContact CD2-CD1 4.14Å; Y509-I518 HydrophobicContact CD2-CD1 4.43Å; Y509-I518 HydrophobicContact CD2-CG2 3.7Å; Y509-I518 HydrophobicContact CE2-CG2 4.05Å; Y509-I518 HydrophobicContact CG-CG2 4.38Å; I512-I518 HydrophobicContact CB-CD1 4.27Å; I512-I518 HydrophobicContact CB-CG1 4Å; I512-I518 HydrophobicContact CD1-CG1 4.4Å; I512-I518 HydrophobicContact CG2-CD1 4.29Å; I512-I518 HydrophobicContact CG2-CG1 3.72Å; C514-I518 PolarHBondContact O-N 2.92Å; R515-I518 WeakPolarHBondContact O-CB 3.31Å; R515-I518 PolarHBondContact O-N 3.21Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 3.17Å; I518-M521 PolarHBondContact O-N 3.22Å; I518-V522 HydrophobicContact CG2-CG2 4Å; I518-V522 WeakPolarHBondContact O-CB 3.46Å; I518-V522 VanDerWaalsContact O-CG2 3.29Å; I518-V522 WeakPolarHBondContact O-CG2 3.45Å; I518-V522 PolarHBondContact O-N 2.93Å; I518-L527 HydrophobicContact CG2-CD2 4.46Å
519	I	91.8	Very high	91.5	Very high	29 Å²	29	62.1 Å²	62.1	15%	0.149	33%	0.332	C	S	.	.	H	α-helix	trans	-53.8	-51.8	177.7	-68.6	173.1	0	0	0	110.4	V470 I478 R515 D516 G523	V470-I519 HydrophobicContact CB-CG1 4.32Å; V470-I519 HydrophobicContact CG1-CD1 3.82Å; V470-I519 HydrophobicContact CG1-CG1 3.56Å; I478-I519 HydrophobicContact CG2-CG2 3.65Å; I478-I519 WeakPolarHBondContact CG2-O 3.3Å; R515-I519 HydrophobicContact CG-CD1 4.19Å; R515-I519 WeakPolarHBondContact O-CG1 3.05Å; R515-I519 PolarHBondContact O-N 2.95Å; D516-I519 PolarHBondContact O-N 2.65Å; I519-G523 PolarHBondContact O-N 3.46Å
520	F	91.9	Very high	91.3	Very high	120 Å²	120	63.2 Å²	63.2	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-51	-178.9	177.3	-97.4	0	0	0	112	D516 Q517 I518 G523 R524 Y526	D516-F520 WeakPolarHBondContact O-CB 3.24Å; D516-F520 PolarHBondContact O-N 2.98Å; Q517-F520 PolarHBondContact O-N 3.04Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 3.17Å; F520-G523 PolarHBondContact O-N 3.4Å; F520-R524 HydrophobicContact CD2-CG 4.35Å; F520-R524 HydrophobicContact CE1-CG 4.34Å; F520-R524 HydrophobicContact CE2-CG 4.07Å; F520-R524 HydrophobicContact CZ-CG 4.06Å; F520-R524 WeakPolarHBondContact O-CB 3.49Å; F520-R524 VanDerWaalsContact O-CG 3.26Å; F520-R524 WeakPolarHBondContact O-CG 3.41Å; F520-R524 PolarHBondContact O-N 2.83Å; F520-Y526 HydrophobicContact CE1-CD2 4.45Å; F520-Y526 HydrophobicContact CE1-CE2 4.36Å
521	M	94.5	Very high	91.3	Very high	47 Å²	47	60.2 Å²	60.2	23%	0.232	32%	0.316	C	S	.	.	H	α-helix	trans	-69.1	-40.8	-174.1	-64.4	177.6	72.4	0	0	112.4	I512 Q517 I518 G525 Y526 L527	I512-M521 HydrophobicContact CD1-SD 4.24Å; Q517-M521 HydrophobicContact CG-CG 4.29Å; Q517-M521 HydrophobicContact CG-SD 3.68Å; Q517-M521 WeakPolarHBondContact O-CB 3.36Å; Q517-M521 VanDerWaalsContact O-CG 3.24Å; Q517-M521 WeakPolarHBondContact O-CG 3.47Å; Q517-M521 PolarHBondContact O-N 3.07Å; I518-M521 PolarHBondContact O-N 3.22Å; M521-G525 PolarHBondContact O-N 3.05Å; M521-G525 VanDerWaalsContact O-N 3.08Å; M521-Y526 PolarHBondContact O-N 3.09Å; M521-L527 HydrophobicContact CB-CB 3.56Å; M521-L527 HydrophobicContact CB-CD2 4.14Å; M521-L527 HydrophobicContact CB-CG 4.48Å; M521-L527 HydrophobicContact CE-CB 4.34Å; M521-L527 PolarHBondContact O-N 3.47Å
522	V	94.3	Very high	91.3	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-45.4	175.1	177.8	0	0	0	0	110.2	A475 I478 Y509 I518 R524 G525 L527	A475-V522 HydrophobicContact CB-CG1 4.48Å; A475-V522 WeakPolarHBondContact CB-O 3.49Å; I478-V522 HydrophobicContact CD1-CB 3.88Å; I478-V522 HydrophobicContact CD1-CG1 3.62Å; Y509-V522 HydrophobicContact CE1-CG2 4.47Å; Y509-V522 HydrophobicContact CE2-CG2 4.11Å; I518-V522 HydrophobicContact CG2-CG2 4Å; I518-V522 WeakPolarHBondContact O-CB 3.46Å; I518-V522 VanDerWaalsContact O-CG2 3.29Å; I518-V522 WeakPolarHBondContact O-CG2 3.45Å; I518-V522 PolarHBondContact O-N 2.93Å; V522-R524 VanDerWaalsContact C-N 3.26Å; V522-R524 PolarHBondContact O-N 3.06Å; V522-G525 PolarHBondContact O-N 3.27Å; V522-L527 HydrophobicContact CG2-CB 4.11Å; V522-L527 HydrophobicContact CG2-CD2 4Å; V522-L527 HydrophobicContact CG2-CG 4.23Å
523	G	92.6	Very high	91.2	Very high	5 Å²	5	61.1 Å²	61.1	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-35.8	179.2	0	0	0	0	0	113.3	R479 I519 F520	R479-G523 VanDerWaalsContact CD-O 3.31Å; R479-G523 WeakPolarHBondContact CD-O 3.47Å; R479-G523 PolarHBondContact NH1-O 2.95Å; I519-G523 PolarHBondContact O-N 3.46Å; F520-G523 PolarHBondContact O-N 3.4Å
524	R	92.7	Very high	91.3	Very high	156 Å²	156	57.2 Å²	57.2	59%	0.589	29%	0.286	S	S	*	.	H	α-helix	trans	-83.3	-11.5	175.8	-67.8	-67.2	-176.3	177.6	0.5	114.5	F520 V522 Y526	F520-R524 HydrophobicContact CD2-CG 4.35Å; F520-R524 HydrophobicContact CE1-CG 4.34Å; F520-R524 HydrophobicContact CE2-CG 4.07Å; F520-R524 HydrophobicContact CZ-CG 4.06Å; F520-R524 WeakPolarHBondContact O-CB 3.49Å; F520-R524 VanDerWaalsContact O-CG 3.26Å; F520-R524 WeakPolarHBondContact O-CG 3.41Å; F520-R524 PolarHBondContact O-N 2.83Å; V522-R524 VanDerWaalsContact C-N 3.26Å; V522-R524 PolarHBondContact O-N 3.06Å; R524-Y526 HydrophobicContact CB-CD1 4.39Å; R524-Y526 HydrophobicContact CB-CD2 3.72Å; R524-Y526 HydrophobicContact CB-CE1 4.35Å; R524-Y526 HydrophobicContact CB-CE2 3.7Å; R524-Y526 HydrophobicContact CB-CG 4.08Å; R524-Y526 HydrophobicContact CG-CD2 4.48Å; R524-Y526 HydrophobicContact CG-CE2 4.17Å
525	G	91.4	Very high	90.9	Very high	26 Å²	26	56.8 Å²	56.8	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	14.9	-178.1	0	0	0	0	0	114.6	M521 V522	M521-G525 PolarHBondContact O-N 3.05Å; M521-G525 VanDerWaalsContact O-N 3.08Å; V522-G525 PolarHBondContact O-N 3.27Å
526	Y	92.2	Very high	90.5	Very high	139 Å²	139	57.3 Å²	57.3	55%	0.545	30%	0.303	S	S	.	.	S	Bend	trans	-82.5	-16.5	175.5	-57.3	-27.1	0	0	0	112.9	F520 M521 R524	F520-Y526 HydrophobicContact CE1-CD2 4.45Å; F520-Y526 HydrophobicContact CE1-CE2 4.36Å; M521-Y526 PolarHBondContact O-N 3.09Å; R524-Y526 HydrophobicContact CB-CD1 4.39Å; R524-Y526 HydrophobicContact CB-CD2 3.72Å; R524-Y526 HydrophobicContact CB-CE1 4.35Å; R524-Y526 HydrophobicContact CB-CE2 3.7Å; R524-Y526 HydrophobicContact CB-CG 4.08Å; R524-Y526 HydrophobicContact CG-CD2 4.48Å; R524-Y526 HydrophobicContact CG-CE2 4.17Å
527	L	92.1	Very high	90	Very high	19 Å²	19	57.5 Å²	57.5	10%	0.099	30%	0.304	C	S	.	.			trans	-128.7	133.2	-178.1	-173.4	66	0	0	0	111.1	Y509 I512 I518 M521 V522	Y509-L527 HydrophobicContact CD1-CD1 3.9Å; Y509-L527 HydrophobicContact CD1-CD2 3.53Å; Y509-L527 HydrophobicContact CD1-CG 3.59Å; Y509-L527 HydrophobicContact CE1-CD1 4.19Å; Y509-L527 HydrophobicContact CE1-CD2 3.84Å; Y509-L527 HydrophobicContact CE1-CG 3.56Å; Y509-L527 HydrophobicContact CG-CD2 3.89Å; Y509-L527 HydrophobicContact CG-CG 4.45Å; I512-L527 HydrophobicContact CD1-CD1 4.17Å; I512-L527 HydrophobicContact CD1-CD2 3.57Å; I518-L527 HydrophobicContact CG2-CD2 4.46Å; M521-L527 HydrophobicContact CB-CB 3.56Å; M521-L527 HydrophobicContact CB-CD2 4.14Å; M521-L527 HydrophobicContact CB-CG 4.48Å; M521-L527 HydrophobicContact CE-CB 4.34Å; M521-L527 PolarHBondContact O-N 3.47Å; V522-L527 HydrophobicContact CG2-CB 4.11Å; V522-L527 HydrophobicContact CG2-CD2 4Å; V522-L527 HydrophobicContact CG2-CG 4.23Å
528	S	91.9	Very high	89.7	Confident	55 Å²	55	53.3 Å²	53.3	39%	0.385	29%	0.285	S	S	.	.			trans	-138.1	154.3	172.6	62.2	0	0	0	0	109.5	D530	S528-D530 PolarHBondContact O-N 2.91Å
529	P	93.1	Very high	89.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.019	29%	0.292	C	S	.	.			trans	-54.3	136	176.1	-28.1	38.9	0	0	0	111.2	Y500 P508 Y509 L531 L550	Y500-P529 HydrophobicContact CD2-CB 3.73Å; Y500-P529 HydrophobicContact CE2-CB 3.82Å; Y500-P529 HydrophobicContact CG-CB 4.17Å; P508-P529 HydrophobicContact CB-CB 4.16Å; P508-P529 HydrophobicContact CB-CG 4.17Å; Y509-P529 HydrophobicContact CE1-CG 4.19Å; Y509-P529 WeakPolarHBondContact OH-CD 3.45Å; P529-L531 PolarHBondContact O-N 3.25Å; P529-L550 HydrophobicContact CB-CD1 3.89Å; P529-L550 HydrophobicContact CG-CD1 3.71Å; P529-L550 HydrophobicContact CG-CD2 4.26Å
530	D	89.9	Confident	88.9	Confident	31 Å²	31	58.9 Å²	58.9	17%	0.166	31%	0.311	C	S	.	.			trans	-80.8	99.9	-174.9	172.6	13.9	0	0	0	110.5	Y500 S528 S532 K533	Y500-D530 WeakPolarHBondContact CE2-O 3.46Å; Y500-D530 PolarHBondContact OH-O 3.33Å; S528-D530 PolarHBondContact O-N 2.91Å; D530-S532 VanDerWaalsContact CG-OG 3.23Å; D530-S532 PolarHBondContact O-N 2.91Å; D530-S532 VanDerWaalsContact OD1-CB 3.27Å; D530-S532 WeakPolarHBondContact OD1-CB 3.37Å; D530-S532 PolarHBondContact OD1-N 3.16Å; D530-S532 PolarHBondContact OD1-OG 2.91Å; D530-S532 PolarHBondContact OD2-OG 3.04Å; D530-K533 PolarHBondContact O-N 2.8Å; D530-K533 WeakPolarHBondContact OD2-CE 3.44Å
531	L	89.1	Confident	88.5	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.11	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-71.5	-12.6	-176.1	-54.9	-169.8	0	0	0	113.4	Y500 P529 K533 I534 L546 L550	Y500-L531 HydrophobicContact CD2-CD2 4.16Å; Y500-L531 HydrophobicContact CE2-CD2 4.37Å; P529-L531 PolarHBondContact O-N 3.25Å; L531-K533 PolarHBondContact O-N 2.87Å; L531-I534 HydrophobicContact CB-CD1 4.12Å; L531-I534 HydrophobicContact CD2-CD1 4.01Å; L531-I534 WeakPolarHBondContact O-CB 3.2Å; L531-I534 WeakPolarHBondContact O-CG1 3.45Å; L531-I534 PolarHBondContact O-N 2.85Å; L531-L546 HydrophobicContact CD2-CD2 3.35Å; L531-L550 HydrophobicContact CD2-CD1 4.22Å
532	S	87.4	Confident	88.2	Confident	85 Å²	85	52.3 Å²	52.3	59%	0.594	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.3	176.2	74.1	0	0	0	0	112.4	D530 I534	D530-S532 VanDerWaalsContact CG-OG 3.23Å; D530-S532 PolarHBondContact O-N 2.91Å; D530-S532 VanDerWaalsContact OD1-CB 3.27Å; D530-S532 WeakPolarHBondContact OD1-CB 3.37Å; D530-S532 PolarHBondContact OD1-N 3.16Å; D530-S532 PolarHBondContact OD1-OG 2.91Å; D530-S532 PolarHBondContact OD2-OG 3.04Å; S532-I534 PolarHBondContact O-N 3.46Å
533	K	88.6	Confident	88	Confident	84 Å²	84	53.7 Å²	53.7	37%	0.365	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-74.5	-8.3	176.7	-62.3	-172.8	-179.9	-176.4	0	114.3	T504 S510 D530 L531 S535	T504-K533 HydrophobicContact CG2-CB 4.15Å; S510-K533 PolarHBondContact OG-NZ 3.5Å; D530-K533 PolarHBondContact O-N 2.8Å; D530-K533 WeakPolarHBondContact OD2-CE 3.44Å; L531-K533 PolarHBondContact O-N 2.87Å; K533-S535 PolarHBondContact O-N 3.5Å
534	I	89	Confident	87.7	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.046	30%	0.296	C	S	.	.	S	Bend	trans	-71.5	126.7	178	-65	169.4	0	0	0	109	M503 T504 L531 S532 C538 R543 L546	M503-I534 HydrophobicContact CB-CG1 4.37Å; M503-I534 HydrophobicContact CB-CG2 4.18Å; T504-I534 HydrophobicContact CG2-CG1 3.74Å; L531-I534 HydrophobicContact CB-CD1 4.12Å; L531-I534 HydrophobicContact CD2-CD1 4.01Å; L531-I534 WeakPolarHBondContact O-CB 3.2Å; L531-I534 WeakPolarHBondContact O-CG1 3.45Å; L531-I534 PolarHBondContact O-N 2.85Å; S532-I534 PolarHBondContact O-N 3.46Å; I534-C538 HydrophobicContact CG2-CB 3.43Å; I534-C538 VanDerWaalsContact CG2-CB 3.43Å; I534-R543 HydrophobicContact CD1-CG 4.12Å; I534-L546 HydrophobicContact CD1-CD1 3.71Å; I534-L546 HydrophobicContact CD1-CD2 4.41Å
535	S	81.4	Confident	87.6	Confident	52 Å²	52	48.4 Å²	48.4	36%	0.364	27%	0.27	S	S	.	.			trans	-54	146.9	179.6	179.7	0	0	0	0	112.7	K533 N537 C538 R543	K533-S535 PolarHBondContact O-N 3.5Å; S535-N537 WeakPolarHBondContact CB-OD1 3.46Å; S535-N537 PolarHBondContact O-N 2.97Å; S535-N537 VanDerWaalsContact OG-CG 3.27Å; S535-N537 PolarHBondContact OG-N 3.45Å; S535-N537 PolarHBondContact OG-OD1 2.73Å; S535-C538 WeakPolarHBondContact O-CB 3.32Å; S535-C538 PolarHBondContact O-N 3.04Å; S535-C538 VanDerWaalsContact O-N 3.08Å; S535-R543 PolarHBondContact O-NH2 3.31Å
536	S	80.6	Confident	87.8	Confident	116 Å²	116	47.1 Å²	47.1	81%	0.811	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.7	178.5	58	0	0	0	0	113.2	C538	S536-C538 VanDerWaalsContact C-N 3.27Å; S536-C538 PolarHBondContact O-N 3.49Å
537	N	80.9	Confident	87.8	Confident	100 Å²	100	41.6 Å²	41.6	54%	0.535	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.3	174.9	71.3	-9.4	0	0	0	113.6	M403 S535	M403-N537 HydrophobicContact CE-CB 4.44Å; M403-N537 VanDerWaalsContact CE-CG 3.47Å; M403-N537 WeakPolarHBondContact CE-OD1 3.35Å; S535-N537 WeakPolarHBondContact CB-OD1 3.46Å; S535-N537 PolarHBondContact O-N 2.97Å; S535-N537 VanDerWaalsContact OG-CG 3.27Å; S535-N537 PolarHBondContact OG-N 3.45Å; S535-N537 PolarHBondContact OG-OD1 2.73Å
538	C	85.6	Confident	87.9	Confident	6 Å²	6	43 Å²	43	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-68.1	126.3	176.6	-178.7	0	0	0	0	110	I534 S535 S536 K540	I534-C538 HydrophobicContact CG2-CB 3.43Å; I534-C538 VanDerWaalsContact CG2-CB 3.43Å; S535-C538 WeakPolarHBondContact O-CB 3.32Å; S535-C538 PolarHBondContact O-N 3.04Å; S535-C538 VanDerWaalsContact O-N 3.08Å; S536-C538 VanDerWaalsContact C-N 3.27Å; S536-C538 PolarHBondContact O-N 3.49Å; C538-K540 PolarHBondContact O-N 2.98Å
539	P	86	Confident	88.1	Confident	31 Å²	31	40.3 Å²	40.3	20%	0.201	23%	0.228	C	C	.	.			trans	-59.5	135	177.9	-22.3	31.5	0	0	0	111.6	I407 A541 M542 R543 L570 L574	I407-P539 HydrophobicContact CD1-CG 4.16Å; P539-A541 PolarHBondContact O-N 3.38Å; P539-M542 WeakPolarHBondContact O-CA 3.45Å; P539-M542 WeakPolarHBondContact O-CB 3.36Å; P539-M542 PolarHBondContact O-N 3.43Å; P539-R543 PolarHBondContact O-N 3.39Å; P539-R543 VanDerWaalsContact O-N 3.14Å; P539-L570 HydrophobicContact CB-CD1 4Å; P539-L570 HydrophobicContact CB-CG 4.42Å; P539-L570 HydrophobicContact CG-CD2 4.39Å; P539-L574 HydrophobicContact CG-CD2 3.86Å
540	K	82.1	Confident	88.3	Confident	126 Å²	126	41 Å²	41	55%	0.548	23%	0.231	S	C	.	.	H	α-helix	trans	-52.2	-37.2	-177.9	-64.9	-174.7	179	-176.8	0	113.6	C538 M542 R543 R544	C538-K540 PolarHBondContact O-N 2.98Å; K540-M542 VanDerWaalsContact C-N 3.34Å; K540-M542 PolarHBondContact O-N 3.13Å; K540-R543 PolarHBondContact O-N 3.08Å; K540-R544 WeakPolarHBondContact O-CB 3.46Å; K540-R544 PolarHBondContact O-N 3.19Å
541	A	83.6	Confident	88.6	Confident	29 Å²	29	42.6 Å²	42.6	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-31.1	177.7	0	0	0	0	0	113.1	P539 L545 L570	P539-A541 PolarHBondContact O-N 3.38Å; A541-L545 WeakPolarHBondContact O-CB 3.29Å; A541-L545 PolarHBondContact O-N 2.92Å; A541-L570 HydrophobicContact CB-CD1 3.78Å
542	M	88	Confident	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.2	-46.9	172.8	-177.8	58.2	78.1	0	0	110.8	I407 A410 L499 M503 P539 K540 R544 L545 L546 I567 L570	I407-M542 HydrophobicContact CG1-CE 3.97Å; I407-M542 HydrophobicContact CG2-CE 4.35Å; A410-M542 HydrophobicContact CB-CE 4.42Å; L499-M542 HydrophobicContact CD1-SD 4.46Å; L499-M542 HydrophobicContact CD2-SD 4.19Å; M503-M542 HydrophobicContact CG-CG 4.22Å; M503-M542 HydrophobicContact SD-CG 3.7Å; P539-M542 WeakPolarHBondContact O-CA 3.45Å; P539-M542 WeakPolarHBondContact O-CB 3.36Å; P539-M542 PolarHBondContact O-N 3.43Å; K540-M542 VanDerWaalsContact C-N 3.34Å; K540-M542 PolarHBondContact O-N 3.13Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 2.99Å; M542-L545 PolarHBondContact O-N 3.35Å; M542-L545 VanDerWaalsContact O-N 3.16Å; M542-L545 HydrophobicContact SD-CD2 4.32Å; M542-L546 WeakPolarHBondContact O-CB 3.42Å; M542-L546 PolarHBondContact O-N 2.98Å; M542-I567 HydrophobicContact CE-CG1 4.32Å; M542-I567 HydrophobicContact CE-CG2 4.49Å; M542-L570 HydrophobicContact CB-CD1 3.75Å; M542-L570 HydrophobicContact CE-CD2 4.34Å; M542-L570 VanDerWaalsContact N-CD1 3.33Å
543	R	88.8	Confident	89.1	Confident	34 Å²	34	46.2 Å²	46.2	13%	0.128	24%	0.242	C	C	.	.	H	α-helix	trans	-54.5	-43.6	175.4	-175.8	-179.2	-63.8	165.4	-2.2	111.9	D146 I534 S535 P539 K540 S547	D146-R543 WeakPolarHBondContact OD1-CD 3.39Å; D146-R543 IonicContact OD1-NH1 2.84Å; D146-R543 IonicContact OD2-NH1 3.25Å; D146-R543 PolarHBondContact OD2-NH1 2.8Å; I534-R543 HydrophobicContact CD1-CG 4.12Å; S535-R543 PolarHBondContact O-NH2 3.31Å; P539-R543 PolarHBondContact O-N 3.39Å; P539-R543 VanDerWaalsContact O-N 3.14Å; K540-R543 PolarHBondContact O-N 3.08Å; R543-S547 PolarHBondContact O-N 2.83Å
544	R	86.8	Confident	89.4	Confident	44 Å²	44	45.1 Å²	45.1	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-47.6	176.2	-175.8	179.3	64.8	152.1	9.3	112.6	D113 K540 M542 L546 S547 D548	D113-R544 IonicContact OD1-NH2 3.26Å; D113-R544 IonicContact OD2-CZ 2.81Å; D113-R544 IonicContact OD2-NH1 2.86Å; D113-R544 PolarHBondContact OD2-NH1 3.32Å; D113-R544 IonicContact OD2-NH2 3.86Å; D113-R544 PolarHBondContact OD2-NH2 3.24Å; K540-R544 WeakPolarHBondContact O-CB 3.46Å; K540-R544 PolarHBondContact O-N 3.19Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 2.99Å; R544-L546 VanDerWaalsContact C-N 3.27Å; R544-L546 PolarHBondContact O-N 3.41Å; R544-S547 CarbonylContact O-C 3.53Å; R544-S547 WeakPolarHBondContact O-CA 3.38Å; R544-S547 WeakPolarHBondContact O-CB 3.35Å; R544-S547 PolarHBondContact O-N 3.27Å; R544-D548 VanDerWaalsContact O-CG 3.3Å; R544-D548 PolarHBondContact O-N 3Å
545	L	91.8	Very high	89.7	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-43.7	177.7	177.1	64.2	0	0	0	111.6	L499 A541 M542 D548 C549 I563 T566 I567	L499-L545 HydrophobicContact CD1-CG 4.43Å; A541-L545 WeakPolarHBondContact O-CB 3.29Å; A541-L545 PolarHBondContact O-N 2.92Å; M542-L545 PolarHBondContact O-N 3.35Å; M542-L545 VanDerWaalsContact O-N 3.16Å; M542-L545 HydrophobicContact SD-CD2 4.32Å; L545-D548 PolarHBondContact O-N 3Å; L545-C549 PolarHBondContact O-N 3.28Å; L545-C549 PolarHBondContact O-SG 2.92Å; L545-I563 HydrophobicContact CD1-CB 4.35Å; L545-I563 HydrophobicContact CD1-CG1 4.15Å; L545-I563 HydrophobicContact CD1-CG2 4.24Å; L545-I563 HydrophobicContact CD2-CG2 4.14Å; L545-T566 HydrophobicContact CB-CG2 4.4Å; L545-T566 HydrophobicContact CD1-CG2 4.33Å; L545-T566 HydrophobicContact CD2-CG2 4.24Å; L545-I567 HydrophobicContact CD2-CD1 3.83Å; L545-I567 HydrophobicContact CD2-CG1 3.35Å
546	L	94.6	Very high	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-49.1	174.1	-176.2	171.2	0	0	0	110.4	L499 M503 L531 I534 M542 R544 D548 C549 L550	L499-L546 HydrophobicContact CB-CB 4.23Å; L499-L546 HydrophobicContact CB-CD1 4Å; L499-L546 HydrophobicContact CB-CG 3.88Å; L499-L546 HydrophobicContact CD1-CB 4.19Å; M503-L546 HydrophobicContact CB-CD1 4.32Å; M503-L546 HydrophobicContact CG-CD1 4.14Å; L531-L546 HydrophobicContact CD2-CD2 3.35Å; I534-L546 HydrophobicContact CD1-CD1 3.71Å; I534-L546 HydrophobicContact CD1-CD2 4.41Å; M542-L546 WeakPolarHBondContact O-CB 3.42Å; M542-L546 PolarHBondContact O-N 2.98Å; R544-L546 VanDerWaalsContact C-N 3.27Å; R544-L546 PolarHBondContact O-N 3.41Å; L546-D548 VanDerWaalsContact C-N 3.31Å; L546-D548 PolarHBondContact O-N 2.95Å; L546-C549 PolarHBondContact O-N 3.09Å; L546-L550 HydrophobicContact CD2-CD1 3.45Å; L546-L550 VanDerWaalsContact CD2-CD1 3.45Å; L546-L550 HydrophobicContact CD2-CG 4.24Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.19Å
547	S	92.8	Very high	91	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-38.1	176.7	-176.1	0	0	0	0	113.3	R543 R544 L550	R543-S547 PolarHBondContact O-N 2.83Å; R544-S547 CarbonylContact O-C 3.53Å; R544-S547 WeakPolarHBondContact O-CA 3.38Å; R544-S547 WeakPolarHBondContact O-CB 3.35Å; R544-S547 PolarHBondContact O-N 3.27Å; S547-L550 PolarHBondContact O-N 2.75Å
548	D	93.1	Very high	91.7	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	20%	0.202	S	C	.	.	H	α-helix	trans	-69.2	-35.6	178.8	-66.2	-25.6	0	0	0	111.2	R544 L545 L546 L550 K551 P558	R544-D548 VanDerWaalsContact O-CG 3.3Å; R544-D548 PolarHBondContact O-N 3Å; L545-D548 PolarHBondContact O-N 3Å; L546-D548 VanDerWaalsContact C-N 3.31Å; L546-D548 PolarHBondContact O-N 2.95Å; D548-L550 VanDerWaalsContact C-N 3.3Å; D548-L550 PolarHBondContact O-N 3.49Å; D548-K551 WeakPolarHBondContact O-CG 3.33Å; D548-P558 HydrophobicContact CB-CG 4.35Å
549	C	97.8	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-29.2	174.8	-63.6	0	0	0	0	112.7	V492 Y493 L545 L546 R557	V492-C549 HydrophobicContact CG1-CB 3.96Å; Y493-C549 WeakPolarHBondContact CA-O 3.29Å; L545-C549 PolarHBondContact O-N 3.28Å; L545-C549 PolarHBondContact O-SG 2.92Å; L546-C549 PolarHBondContact O-N 3.09Å; C549-R557 WeakPolarHBondContact O-CD 3.28Å
550	L	97	Very high	92.9	Very high	18 Å²	18	43.5 Å²	43.5	9%	0.094	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.2	-176.9	-67	-179.9	0	0	0	114.6	Y493 V497 P529 L531 L546 S547 D548 F552	Y493-L550 HydrophobicContact CD2-CD2 4.19Å; Y493-L550 HydrophobicContact CE1-CD2 4.48Å; Y493-L550 HydrophobicContact CE2-CD2 3.99Å; V497-L550 HydrophobicContact CG2-CD2 3.77Å; P529-L550 HydrophobicContact CB-CD1 3.89Å; P529-L550 HydrophobicContact CG-CD1 3.71Å; P529-L550 HydrophobicContact CG-CD2 4.26Å; L531-L550 HydrophobicContact CD2-CD1 4.22Å; L546-L550 HydrophobicContact CD2-CD1 3.45Å; L546-L550 VanDerWaalsContact CD2-CD1 3.45Å; L546-L550 HydrophobicContact CD2-CG 4.24Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.19Å; S547-L550 PolarHBondContact O-N 2.75Å; D548-L550 VanDerWaalsContact C-N 3.3Å; D548-L550 PolarHBondContact O-N 3.49Å; L550-F552 PolarHBondContact O-N 3.37Å
551	K	95.2	Very high	93.5	Very high	64 Å²	64	40.4 Å²	40.4	28%	0.278	20%	0.198	S	C	.	.			trans	-57.6	139.8	178.1	-69.4	-67.9	-168.5	164.2	0	111.8	D548 E556 R557	D548-K551 WeakPolarHBondContact O-CG 3.33Å; K551-E556 HydrophobicContact CB-CB 3.94Å; K551-E556 WeakPolarHBondContact CD-OE2 3.36Å; K551-E556 HydrophobicContact CG-CB 4.02Å; K551-E556 IonicContact NZ-OE2 3.22Å; K551-R557 HydrophobicContact CB-CG 4.03Å; K551-R557 PolarHBondContact O-NE 3.2Å; K551-R557 PolarHBondContact O-NH2 2.98Å; K551-R557 VanDerWaalsContact O-NH2 3.12Å
552	F	94.4	Very high	94	Very high	70 Å²	70	40.4 Å²	40.4	31%	0.307	19%	0.193	S	C	.	.	S	Bend	trans	-65.6	-47.7	-179.1	-179.2	-99.7	0	0	0	111.5	A475 R479 L550 R557	A475-F552 HydrophobicContact CB-CD2 3.78Å; A475-F552 HydrophobicContact CB-CE2 3.41Å; A475-F552 VanDerWaalsContact CB-CE2 3.41Å; A475-F552 HydrophobicContact CB-CZ 4.24Å; R479-F552 VanDerWaalsContact NH1-CZ 3.26Å; L550-F552 PolarHBondContact O-N 3.37Å; F552-R557 PolarHBondContact O-NH2 3.29Å; F552-R557 VanDerWaalsContact O-NH2 3.17Å
553	Q	93.6	Very high	94.4	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	19%	0.193	S	C	.	.	S	Bend	trans	-73.5	127.4	171.6	-60.1	-172.8	21.6	0	0	109	E555 E556	Q553-E555 VanDerWaalsContact C-N 3.3Å; Q553-E555 PolarHBondContact O-N 3.32Å; Q553-E556 HydrophobicContact CB-CG 4.08Å; Q553-E556 PolarHBondContact O-N 3.06Å; Q553-E556 PolarHBondContact OE1-OE1 3.4Å
554	R	94.8	Very high	94.7	Very high	60 Å²	60	39.8 Å²	39.8	23%	0.226	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-69.8	-30.5	-174.3	68.5	175.5	174.5	-148.6	-12.7	112	D482 Q489 E556 R557	D482-R554 IonicContact OD2-CZ 3.63Å; D482-R554 VanDerWaalsContact OD2-CZ 3.23Å; D482-R554 IonicContact OD2-NH1 3.71Å; D482-R554 PolarHBondContact OD2-NH1 3.06Å; D482-R554 IonicContact OD2-NH2 3.75Å; D482-R554 PolarHBondContact OD2-NH2 3.46Å; Q489-R554 HydrophobicContact CB-CB 3.86Å; Q489-R554 VanDerWaalsContact CG-O 3.31Å; Q489-R554 WeakPolarHBondContact CG-O 3.47Å; R554-E556 PolarHBondContact O-N 3.46Å; R554-R557 WeakPolarHBondContact O-CB 3.2Å; R554-R557 PolarHBondContact O-N 3.06Å; R554-R557 VanDerWaalsContact O-N 3.11Å
555	E	93.9	Very high	94.8	Very high	122 Å²	122	38 Å²	38	57%	0.57	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-69	-21.1	-178	-63.1	71.2	-156.2	0	0	112.7	Q553 R557	Q553-E555 VanDerWaalsContact C-N 3.3Å; Q553-E555 PolarHBondContact O-N 3.32Å; E555-R557 VanDerWaalsContact C-N 3.31Å
556	E	92.3	Very high	94.7	Very high	87 Å²	87	38.7 Å²	38.7	41%	0.407	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-80.3	-12.9	174.7	-65.7	-178.9	-158.3	0	0	112.8	K551 Q553 R554	K551-E556 HydrophobicContact CB-CB 3.94Å; K551-E556 WeakPolarHBondContact CD-OE2 3.36Å; K551-E556 HydrophobicContact CG-CB 4.02Å; K551-E556 IonicContact NZ-OE2 3.22Å; Q553-E556 HydrophobicContact CB-CG 4.08Å; Q553-E556 PolarHBondContact O-N 3.06Å; Q553-E556 PolarHBondContact OE1-OE1 3.4Å; R554-E556 PolarHBondContact O-N 3.46Å
557	R	96.9	Very high	94.6	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.019	19%	0.191	C	C	.	.	S	Bend	trans	-79.4	137.2	-177.7	-57.3	177.2	-161.9	144	10.4	110.3	E476 Q489 V492 C549 K551 F552 R554 E555	E476-R557 IonicContact OE1-CZ 3.91Å; E476-R557 IonicContact OE1-NH1 2.81Å; E476-R557 PolarHBondContact OE1-NH1 2.69Å; E476-R557 IonicContact OE1-NH2 2.81Å; E476-R557 PolarHBondContact OE1-NH2 3.44Å; E476-R557 IonicContact OE2-CZ 2.71Å; E476-R557 IonicContact OE2-NH1 3.64Å; E476-R557 IonicContact OE2-NH2 3.8Å; E476-R557 PolarHBondContact OE2-NH2 3.17Å; Q489-R557 WeakPolarHBondContact O-CD 3.45Å; Q489-R557 PolarHBondContact O-NH1 3.37Å; V492-R557 HydrophobicContact CG1-CB 3.97Å; C549-R557 WeakPolarHBondContact O-CD 3.28Å; K551-R557 HydrophobicContact CB-CG 4.03Å; K551-R557 PolarHBondContact O-NE 3.2Å; K551-R557 PolarHBondContact O-NH2 2.98Å; K551-R557 VanDerWaalsContact O-NH2 3.12Å; F552-R557 PolarHBondContact O-NH2 3.29Å; F552-R557 VanDerWaalsContact O-NH2 3.17Å; R554-R557 WeakPolarHBondContact O-CB 3.2Å; R554-R557 PolarHBondContact O-N 3.06Å; R554-R557 VanDerWaalsContact O-N 3.11Å; E555-R557 VanDerWaalsContact C-N 3.31Å
558	P	96.5	Very high	94.5	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.052	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-69.2	159.3	175.1	30.5	-35.3	0	0	0	111.3	V492 D548 Q562 I563	V492-P558 WeakPolarHBondContact CG1-O 3.31Å; V492-P558 VanDerWaalsContact CG2-O 3.3Å; V492-P558 WeakPolarHBondContact CG2-O 3.46Å; D548-P558 HydrophobicContact CB-CG 4.35Å; P558-Q562 HydrophobicContact CB-CB 4.15Å; P558-I563 HydrophobicContact CB-CG1 4.1Å; P558-I563 HydrophobicContact CG-CD1 4.23Å; P558-I563 HydrophobicContact CG-CG1 3.8Å
559	L	97.9	Very high	94.2	Very high	59 Å²	59	40.6 Å²	40.6	31%	0.309	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-91.8	161	169.9	-64.1	178.2	0	0	0	111.1	F488 Q489 P561 Q562 I563	F488-L559 HydrophobicContact CB-CD2 3.96Å; Q489-L559 HydrophobicContact CG-CD2 4.34Å; L559-P561 VanDerWaalsContact C-N 3.32Å; L559-P561 VanDerWaalsContact O-N 3.15Å; L559-Q562 WeakPolarHBondContact O-CB 3.35Å; L559-Q562 PolarHBondContact O-N 3.49Å; L559-I563 WeakPolarHBondContact O-CG1 3.36Å; L559-I563 PolarHBondContact O-N 3.41Å; L559-I563 VanDerWaalsContact O-N 3.09Å
560	F	98.1	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53	-34.1	-177.2	-79.1	-76.1	0	0	0	116.2	A414 M417 D418 H421 D491 V492 Y495 Q562 I563 L564	A414-F560 HydrophobicContact CB-CD1 4.06Å; A414-F560 HydrophobicContact CB-CE1 4.4Å; M417-F560 HydrophobicContact CB-CD1 3.63Å; M417-F560 HydrophobicContact CB-CD2 3.78Å; M417-F560 HydrophobicContact CB-CE1 3.36Å; M417-F560 HydrophobicContact CB-CE2 3.52Å; M417-F560 HydrophobicContact CB-CG 3.84Å; M417-F560 HydrophobicContact CB-CZ 3.29Å; M417-F560 HydrophobicContact CE-CE2 3.94Å; M417-F560 HydrophobicContact CE-CZ 4.13Å; M417-F560 HydrophobicContact CG-CE1 3.89Å; M417-F560 HydrophobicContact CG-CE2 4.17Å; M417-F560 HydrophobicContact CG-CZ 3.63Å; D418-F560 HydrophobicContact CB-CB 3.8Å; H421-F560 AromaticContact CE1-CD2 3.45Å; H421-F560 VanDerWaalsContact CE1-CD2 3.45Å; H421-F560 WeakPolarHBondContact CE1-CD2 3.39Å; H421-F560 AromaticContact CE1-CE2 3.44Å; H421-F560 VanDerWaalsContact CE1-CE2 3.44Å; H421-F560 WeakPolarHBondContact CE1-CE2 3.01Å; H421-F560 AromaticContact ND1-CD2 3.39Å; H421-F560 WeakPolarHBondContact ND1-CD2 3.33Å; H421-F560 AromaticContact ND1-CE2 3.9Å; D491-F560 HydrophobicContact CB-CE2 4.41Å; V492-F560 HydrophobicContact CG2-CD2 4.07Å; V492-F560 HydrophobicContact CG2-CE2 3.78Å; V492-F560 HydrophobicContact CG2-CZ 4.32Å; Y495-F560 AromaticContact CD1-CE1 3.99Å; Y495-F560 HydrophobicContact CD1-CE1 3.99Å; Y495-F560 HydrophobicContact CD1-CZ 4.47Å; Y495-F560 AromaticContact CD2-CE1 4Å; Y495-F560 HydrophobicContact CD2-CE1 4Å; Y495-F560 HydrophobicContact CD2-CZ 4.42Å; Y495-F560 HydrophobicContact CE1-CE1 4.42Å; Y495-F560 HydrophobicContact CE2-CE1 4.43Å; Y495-F560 AromaticContact CG-CE1 3.75Å; Y495-F560 HydrophobicContact CG-CE1 3.75Å; Y495-F560 AromaticContact CG-CZ 3.99Å; Y495-F560 HydrophobicContact CG-CZ 3.99Å; F560-Q562 VanDerWaalsContact C-N 3.27Å; F560-Q562 PolarHBondContact O-N 2.75Å; F560-I563 HydrophobicContact CD1-CD1 4.05Å; F560-I563 HydrophobicContact CE1-CD1 4.24Å; F560-I563 HydrophobicContact CG-CD1 4.38Å; F560-I563 PolarHBondContact O-N 2.54Å; F560-L564 VanDerWaalsContact O-CB 3.31Å; F560-L564 WeakPolarHBondContact O-CB 3.45Å; F560-L564 PolarHBondContact O-N 3.13Å
561	P	95.6	Very high	93	Very high	60 Å²	60	43.2 Å²	43.2	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-37	173.1	-26.1	33.6	0	0	0	113.6	D418 L559 A565	D418-P561 WeakPolarHBondContact OD1-CD 3.49Å; D418-P561 VanDerWaalsContact OD1-CG 3.24Å; D418-P561 WeakPolarHBondContact OD1-CG 3.44Å; L559-P561 VanDerWaalsContact C-N 3.32Å; L559-P561 VanDerWaalsContact O-N 3.15Å; P561-A565 WeakPolarHBondContact O-CB 3.36Å; P561-A565 PolarHBondContact O-N 3.31Å
562	Q	93.4	Very high	92.3	Very high	30 Å²	30	47.1 Å²	47.1	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-77.9	-38.2	178.9	-66.2	149.7	-4.9	0	0	111.5	F111 L116 P558 L559 F560 T566	F111-Q562 HydrophobicContact CB-CG 4.23Å; F111-Q562 HydrophobicContact CD1-CG 3.98Å; F111-Q562 HydrophobicContact CD2-CB 4.32Å; F111-Q562 HydrophobicContact CD2-CG 3.97Å; F111-Q562 HydrophobicContact CE1-CG 4.35Å; F111-Q562 HydrophobicContact CE2-CG 4.33Å; F111-Q562 HydrophobicContact CG-CG 3.79Å; L116-Q562 VanDerWaalsContact CB-NE2 3.34Å; L116-Q562 PolarHBondContact O-NE2 3.3Å; P558-Q562 HydrophobicContact CB-CB 4.15Å; L559-Q562 WeakPolarHBondContact O-CB 3.35Å; L559-Q562 PolarHBondContact O-N 3.49Å; F560-Q562 VanDerWaalsContact C-N 3.27Å; F560-Q562 PolarHBondContact O-N 2.75Å; Q562-T566 WeakPolarHBondContact O-CB 2.96Å; Q562-T566 PolarHBondContact O-N 2.93Å; Q562-T566 VanDerWaalsContact O-N 3.09Å; Q562-T566 PolarHBondContact O-OG1 2.96Å
563	I	96.9	Very high	91.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-52.9	175.1	-63.7	173	0	0	0	109.1	A414 V492 Y495 L545 P558 L559 F560 A565 T566 I567	A414-I563 HydrophobicContact CB-CG2 4.15Å; V492-I563 HydrophobicContact CG1-CD1 3.86Å; V492-I563 HydrophobicContact CG2-CD1 4.02Å; Y495-I563 HydrophobicContact CD1-CD1 4.35Å; Y495-I563 HydrophobicContact CD1-CG2 4.31Å; Y495-I563 HydrophobicContact CE1-CG2 3.55Å; L545-I563 HydrophobicContact CD1-CB 4.35Å; L545-I563 HydrophobicContact CD1-CG1 4.15Å; L545-I563 HydrophobicContact CD1-CG2 4.24Å; L545-I563 HydrophobicContact CD2-CG2 4.14Å; P558-I563 HydrophobicContact CB-CG1 4.1Å; P558-I563 HydrophobicContact CG-CD1 4.23Å; P558-I563 HydrophobicContact CG-CG1 3.8Å; L559-I563 WeakPolarHBondContact O-CG1 3.36Å; L559-I563 PolarHBondContact O-N 3.41Å; L559-I563 VanDerWaalsContact O-N 3.09Å; F560-I563 HydrophobicContact CD1-CD1 4.05Å; F560-I563 HydrophobicContact CE1-CD1 4.24Å; F560-I563 HydrophobicContact CG-CD1 4.38Å; F560-I563 PolarHBondContact O-N 2.54Å; I563-A565 PolarHBondContact O-N 3.29Å; I563-T566 WeakPolarHBondContact O-CB 3.47Å; I563-T566 PolarHBondContact O-N 2.86Å; I563-I567 HydrophobicContact CG2-CD1 3.87Å; I563-I567 WeakPolarHBondContact O-CG1 3.29Å; I563-I567 PolarHBondContact O-N 2.87Å
564	L	94.6	Very high	90.5	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-47.2	-178.4	-176.8	60.5	0	0	0	111.6	R411 A414 Q415 F560 T566 I567 E568	R411-L564 HydrophobicContact CG-CD1 3.95Å; A414-L564 HydrophobicContact CB-CD1 4.39Å; Q415-L564 HydrophobicContact CG-CD1 3.47Å; Q415-L564 VanDerWaalsContact CG-CD1 3.47Å; Q415-L564 HydrophobicContact CG-CD2 3.83Å; Q415-L564 HydrophobicContact CG-CG 4.31Å; F560-L564 VanDerWaalsContact O-CB 3.31Å; F560-L564 WeakPolarHBondContact O-CB 3.45Å; F560-L564 PolarHBondContact O-N 3.13Å; L564-T566 PolarHBondContact O-N 3Å; L564-I567 PolarHBondContact O-N 3.41Å; L564-I567 VanDerWaalsContact O-N 3.16Å; L564-E568 HydrophobicContact CD1-CG 4.11Å; L564-E568 HydrophobicContact CG-CG 4.33Å; L564-E568 WeakPolarHBondContact O-CB 3.26Å; L564-E568 WeakPolarHBondContact O-CG 3.42Å; L564-E568 PolarHBondContact O-N 3.42Å
565	A	89.8	Confident	89.2	Confident	8 Å²	8	46.3 Å²	46.3	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-35	176.1	0	0	0	0	0	112.7	L109 F111 P561 I563 L569	L109-A565 HydrophobicContact CD2-CB 4.22Å; L109-A565 HydrophobicContact CG-CB 4.45Å; F111-A565 HydrophobicContact CD2-CB 3.94Å; F111-A565 HydrophobicContact CE2-CB 3.72Å; P561-A565 WeakPolarHBondContact O-CB 3.36Å; P561-A565 PolarHBondContact O-N 3.31Å; I563-A565 PolarHBondContact O-N 3.29Å; A565-L569 WeakPolarHBondContact O-CB 3.3Å; A565-L569 PolarHBondContact O-N 3.45Å; A565-L569 VanDerWaalsContact O-N 3.15Å
566	T	90.3	Very high	87.3	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-42.8	177.1	-60	0	0	0	0	111.6	L545 Q562 I563 L564 L570	L545-T566 HydrophobicContact CB-CG2 4.4Å; L545-T566 HydrophobicContact CD1-CG2 4.33Å; L545-T566 HydrophobicContact CD2-CG2 4.24Å; Q562-T566 WeakPolarHBondContact O-CB 2.96Å; Q562-T566 PolarHBondContact O-N 2.93Å; Q562-T566 VanDerWaalsContact O-N 3.09Å; Q562-T566 PolarHBondContact O-OG1 2.96Å; I563-T566 WeakPolarHBondContact O-CB 3.47Å; I563-T566 PolarHBondContact O-N 2.86Å; L564-T566 PolarHBondContact O-N 3Å; T566-L570 WeakPolarHBondContact O-CB 3.34Å; T566-L570 PolarHBondContact O-N 2.9Å
567	I	92.4	Very high	85.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-42.3	178.5	-62	173.1	0	0	0	111.2	I407 A410 R411 A414 Y495 M542 L545 I563 L564 L569 L570 Q571	I407-I567 HydrophobicContact CG2-CG2 4.16Å; A410-I567 HydrophobicContact CB-CD1 4.5Å; R411-I567 HydrophobicContact CB-CG2 3.62Å; R411-I567 HydrophobicContact CG-CG2 4.05Å; A414-I567 HydrophobicContact CB-CD1 4.18Å; Y495-I567 WeakPolarHBondContact OH-CD1 3.38Å; M542-I567 HydrophobicContact CE-CG1 4.32Å; M542-I567 HydrophobicContact CE-CG2 4.49Å; L545-I567 HydrophobicContact CD2-CD1 3.83Å; L545-I567 HydrophobicContact CD2-CG1 3.35Å; I563-I567 HydrophobicContact CG2-CD1 3.87Å; I563-I567 WeakPolarHBondContact O-CG1 3.29Å; I563-I567 PolarHBondContact O-N 2.87Å; L564-I567 PolarHBondContact O-N 3.41Å; L564-I567 VanDerWaalsContact O-N 3.16Å; I567-L569 VanDerWaalsContact C-N 3.35Å; I567-L569 PolarHBondContact O-N 2.83Å; I567-L570 WeakPolarHBondContact O-CB 3.39Å; I567-L570 PolarHBondContact O-N 3.22Å; I567-L570 VanDerWaalsContact O-N 3.14Å; I567-Q571 PolarHBondContact O-N 3.35Å
568	E	89.8	Confident	82.8	Confident	58 Å²	58	58.8 Å²	58.8	27%	0.271	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-40	177.7	-72.6	-178.8	170.9	0	0	112.1	L564 L570 Q571 R572	L564-E568 HydrophobicContact CD1-CG 4.11Å; L564-E568 HydrophobicContact CG-CG 4.33Å; L564-E568 WeakPolarHBondContact O-CB 3.26Å; L564-E568 WeakPolarHBondContact O-CG 3.42Å; L564-E568 PolarHBondContact O-N 3.42Å; E568-L570 VanDerWaalsContact C-N 3.27Å; E568-L570 PolarHBondContact O-N 2.9Å; E568-Q571 PolarHBondContact O-N 3.5Å; E568-R572 WeakPolarHBondContact O-CG 3.37Å; E568-R572 PolarHBondContact O-N 3.19Å; E568-R572 VanDerWaalsContact O-N 3.16Å
569	L	86.3	Confident	80.3	Confident	53 Å²	53	68.8 Å²	68.8	28%	0.277	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-40.3	173.5	-180	63.9	0	0	0	111.2	A565 I567 R572 S573	A565-L569 WeakPolarHBondContact O-CB 3.3Å; A565-L569 PolarHBondContact O-N 3.45Å; A565-L569 VanDerWaalsContact O-N 3.15Å; I567-L569 VanDerWaalsContact C-N 3.35Å; I567-L569 PolarHBondContact O-N 2.83Å; L569-R572 PolarHBondContact O-N 3.43Å; L569-S573 PolarHBondContact O-N 3.28Å; L569-S573 PolarHBondContact O-OG 3.48Å
570	L	85.1	Confident	77.6	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-45.9	178.4	-177.7	146.9	0	0	0	111.4	I407 P539 A541 M542 T566 I567 E568 R572 S573 L574	I407-L570 HydrophobicContact CD1-CD2 3.59Å; I407-L570 HydrophobicContact CG1-CD2 4.07Å; I407-L570 HydrophobicContact CG2-CD2 3.74Å; P539-L570 HydrophobicContact CB-CD1 4Å; P539-L570 HydrophobicContact CB-CG 4.42Å; P539-L570 HydrophobicContact CG-CD2 4.39Å; A541-L570 HydrophobicContact CB-CD1 3.78Å; M542-L570 HydrophobicContact CB-CD1 3.75Å; M542-L570 HydrophobicContact CE-CD2 4.34Å; M542-L570 VanDerWaalsContact N-CD1 3.33Å; T566-L570 WeakPolarHBondContact O-CB 3.34Å; T566-L570 PolarHBondContact O-N 2.9Å; I567-L570 WeakPolarHBondContact O-CB 3.39Å; I567-L570 PolarHBondContact O-N 3.22Å; I567-L570 VanDerWaalsContact O-N 3.14Å; E568-L570 VanDerWaalsContact C-N 3.27Å; E568-L570 PolarHBondContact O-N 2.9Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 2.93Å; L570-S573 WeakPolarHBondContact CA-OG 3.37Å; L570-S573 WeakPolarHBondContact O-CA 3.28Å; L570-S573 PolarHBondContact O-N 3.47Å; L570-S573 PolarHBondContact O-OG 3.31Å; L570-L574 HydrophobicContact CD2-CD1 4.27Å; L570-L574 HydrophobicContact CD2-CG 4.4Å; L570-L574 PolarHBondContact O-N 3.15Å; L570-L574 VanDerWaalsContact O-N 3.08Å
571	Q	84.7	Confident	74.9	Confident	66 Å²	66	75.9 Å²	75.9	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-38.4	177.5	-167.3	178.9	24	0	0	112.3	D408 I567 E568 S573	D408-Q571 PolarHBondContact OD1-NE2 3.46Å; I567-Q571 PolarHBondContact O-N 3.35Å; E568-Q571 PolarHBondContact O-N 3.5Å; Q571-S573 PolarHBondContact O-N 3Å
572	R	80.8	Confident	72.8	Confident	146 Å²	146	78 Å²	78	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-68.4	-22.9	175	-67.8	174.6	-168.9	-174.7	4.4	113.6	E568 L569 L570	E568-R572 WeakPolarHBondContact O-CG 3.37Å; E568-R572 PolarHBondContact O-N 3.19Å; E568-R572 VanDerWaalsContact O-N 3.16Å; L569-R572 PolarHBondContact O-N 3.43Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 2.93Å
573	S	76.3	Confident	70.2	Confident	85 Å²	85	84.9 Å²	84.9	59%	0.594	45%	0.446	S	S	*	.	H	α-helix	trans	-95.1	-13.1	-177.9	70	0	0	0	0	114.1	L569 L570 Q571	L569-S573 PolarHBondContact O-N 3.28Å; L569-S573 PolarHBondContact O-OG 3.48Å; L570-S573 WeakPolarHBondContact CA-OG 3.37Å; L570-S573 WeakPolarHBondContact O-CA 3.28Å; L570-S573 PolarHBondContact O-N 3.47Å; L570-S573 PolarHBondContact O-OG 3.31Å; Q571-S573 PolarHBondContact O-N 3Å
574	L	74.8	Confident	67.5	Low	28 Å²	28	89.9 Å²	89.9	15%	0.147	48%	0.479	C	S	.	.	S	Bend	trans	-64.5	143.9	170.4	-67.1	167.5	0	0	0	108.7	V404 I407 P539 L570 K576	V404-L574 HydrophobicContact CG2-CD1 4.46Å; I407-L574 HydrophobicContact CD1-CD1 3.49Å; I407-L574 VanDerWaalsContact CD1-CD1 3.49Å; I407-L574 HydrophobicContact CD1-CD2 4.07Å; I407-L574 HydrophobicContact CD1-CG 4.33Å; I407-L574 HydrophobicContact CG2-CD1 4.33Å; P539-L574 HydrophobicContact CG-CD2 3.86Å; L570-L574 HydrophobicContact CD2-CD1 4.27Å; L570-L574 HydrophobicContact CD2-CG 4.4Å; L570-L574 PolarHBondContact O-N 3.15Å; L570-L574 VanDerWaalsContact O-N 3.08Å; L574-K576 PolarHBondContact O-N 3.18Å
575	P	66.5	Low	65.2	Low	112 Å²	112	94.7 Å²	94.7	73%	0.727	52%	0.515	S	S	*	.			trans	-53.9	114.8	169.1	-16.1	27.8	0	0	0	107	I577	P575-I577 PolarHBondContact O-N 3.26Å; P575-I577 VanDerWaalsContact O-N 3.1Å
576	K	55.2	Low	62.9	Low	172 Å²	172	101.4 Å²	101.4	75%	0.748	55%	0.549	S	S	*	.			trans	-59.6	121.3	163.8	-65.6	-179.1	-177.1	179.2	0	103.8	L574 E578	L574-K576 PolarHBondContact O-N 3.18Å; K576-E578 PolarHBondContact O-N 3.2Å
577	I	52.1	Low	60.5	Low	134 Å²	134	108 Å²	108	69%	0.687	58%	0.578	S	S	*	*			trans	-65.7	84.7	165.8	-58.4	169.4	0	0	0	104.1	P575 R579	P575-I577 PolarHBondContact O-N 3.26Å; P575-I577 VanDerWaalsContact O-N 3.1Å; I577-R579 PolarHBondContact O-N 2.8Å
578	E	42.8	Very low	57.8	Low	169 Å²	169	119.9 Å²	119.9	79%	0.79	62%	0.623	S	S	*	*			trans	-60.4	101.8	150.3	-68.7	-171.1	179	0	0	102.2	K576 S580	K576-E578 PolarHBondContact O-N 3.2Å; E578-S580 PolarHBondContact O-N 2.82Å
579	R	42.8	Very low	55.3	Low	218 Å²	218	122.4 Å²	122.4	82%	0.823	64%	0.642	S	S	*	*			trans	-44.6	122.9	159.4	-62.4	178.9	98	116	-0.6	103.1	I577 A581	I577-R579 PolarHBondContact O-N 2.8Å; R579-A581 PolarHBondContact O-N 2.97Å
580	S	40.4	Very low	52.9	Low	110 Å²	110	128.8 Å²	128.8	77%	0.769	67%	0.67	S	S	*	*			trans	-38.9	123.8	166.9	-11	0	0	0	0	105	E578 S582	E578-S580 PolarHBondContact O-N 2.82Å; S580-S582 PolarHBondContact O-N 2.81Å
581	A	42.4	Very low	50.5	Low	99 Å²	99	132.9 Å²	132.9	82%	0.818	71%	0.705	S	S	*	*			trans	-60.4	86.1	177.2	0	0	0	0	0	106.5	R579 E583	R579-A581 PolarHBondContact O-N 2.97Å; A581-E583 VanDerWaalsContact C-N 3.28Å; A581-E583 PolarHBondContact O-N 3.46Å
582	S	52.1	Low	48.2	Very low	104 Å²	104	137 Å²	137	73%	0.727	73%	0.729	S	S	*	*			trans	-60.4	107.6	157.6	48.3	0	0	0	0	102	S580	S580-S582 PolarHBondContact O-N 2.81Å
583	E	38.6	Very low	45.9	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	74%	0.741	S	S	*	*			trans	-40.3	128.4	174.6	-74	-177.1	141.4	0	0	107.8	A581 S585	A581-E583 VanDerWaalsContact C-N 3.28Å; A581-E583 PolarHBondContact O-N 3.46Å; E583-S585 PolarHBondContact O-N 2.81Å
584	P	39.5	Very low	43.8	Very low	106 Å²	106	141.1 Å²	141.1	69%	0.688	75%	0.749	S	S	*	*			trans	-58.2	117.9	172.9	24.8	-29.9	0	0	0	105.9	L586	P584-L586 PolarHBondContact O-N 3.16Å
585	S	46.9	Very low	42.2	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	78%	0.778	S	S	*	*			trans	-64.4	86.5	176.3	51.2	0	0	0	0	108.3	E583 H587	E583-S585 PolarHBondContact O-N 2.81Å; S585-H587 PolarHBondContact O-N 3.02Å
586	L	41.6	Very low	40.8	Very low	149 Å²	149	144.6 Å²	144.6	78%	0.78	78%	0.782	S	S	*	*			trans	-76.7	108.1	172	-71.8	174.6	0	0	0	107.6	P584	P584-L586 PolarHBondContact O-N 3.16Å
587	H	38.8	Very low	39.7	Very low	158 Å²	158	142 Å²	142	73%	0.731	78%	0.784	S	S	*	*			trans	47.2	108.5	156	-88.8	63.7	0	0	0	117.9	S585 T589	S585-H587 PolarHBondContact O-N 3.02Å; H587-T589 PolarHBondContact CD2-OG1 2.95Å
588	R	35.8	Very low	38.7	Very low	249 Å²	249	142.9 Å²	142.9	94%	0.94	79%	0.789	S	S	*	*			trans	-126.3	75	138.3	-156.9	176.2	-164.9	168.5	3.9	109.9
589	T	38.8	Very low	38.2	Very low	110 Å²	110	142.8 Å²	142.8	68%	0.675	79%	0.793	S	S	*	*			trans	-97.6	97.3	153.9	34.7	0	0	0	0	107.6	H587	H587-T589 PolarHBondContact CD2-OG1 2.95Å
590	Q	34.7	Very low	37.7	Very low	188 Å²	188	137.2 Å²	137.2	88%	0.879	79%	0.788	S	S	*	*			trans	-133.4	105.8	146.8	-86.9	-175.1	-9.5	0	0	105.9
591	A	35.9	Very low	37.3	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	79%	0.788	S	S	*	*			trans	-76	139.1	165.2	0	0	0	0	0	108.9
592	D	35.3	Very low	36.9	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	79%	0.785	S	S	*	*			trans	50.1	123.1	150.4	-66.8	-31.3	0	0	0	121.1
593	E	31.6	Very low	35.9	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	80%	0.795	S	S	*	*				-169.7	129	105	-100.7	-169.9	170.4	0	0	113.9
594	L	33.4	Very low	36	Very low	145 Å²	145	142 Å²	142	76%	0.759	80%	0.795	S	S	*	*			trans	83.4	152.8	143.9	-66.5	163.3	0	0	0	121
595	P	40.9	Very low	35.6	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	80%	0.797	S	S	*	*				-131.4	161.3	-77.1	31.2	-10.2	0	0	0	113.9
596	A	37.2	Very low	36.2	Very low	99 Å²	99	146 Å²	146	82%	0.818	82%	0.816	S	S	*	*			trans	-76.3	123.8	170	0	0	0	0	0	111.6
597	C	32	Very low	35.9	Very low	116 Å²	116	145.9 Å²	145.9	78%	0.784	82%	0.817	S	S	*	*			trans	-159	120.8	151.1	-104.8	0	0	0	0	113.4
598	L	31.6	Very low	35.7	Very low	153 Å²	153	145.2 Å²	145.2	80%	0.801	82%	0.822	S	S	*	*			trans	88.1	138.8	136.6	-65.6	169.7	0	0	0	122.5
599	L	31.5	Very low	35.7	Very low	168 Å²	168	139.4 Å²	139.4	88%	0.88	82%	0.815	S	S	*	*			trans	89.5	133.7	161.5	-58.2	158.6	0	0	0	116
600	S	31.9	Very low	35.6	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	82%	0.824	S	S	*	*			cis	-178.6	132.2	-6.2	166.8	0	0	0	0	107.6
601	A	32.7	Very low	35.6	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	82%	0.82	S	S	*	*			trans	51.7	149	139.4	0	0	0	0	0	124.7
602	A	33.1	Very low	35.6	Very low	92 Å²	92	141.3 Å²	141.3	76%	0.76	82%	0.824	S	S	*	*			trans	88.8	131	158.1	0	0	0	0	0	116.5
603	R	32.2	Very low	35.6	Very low	245 Å²	245	140.5 Å²	140.5	93%	0.925	83%	0.825	S	S	*	*			cis	-164.9	151.4	8.3	-120.2	172.6	-175.1	-173.7	1.1	108.7
604	L	40.6	Very low	35.9	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	83%	0.826	S	S	*	*			trans	-74.1	143	172.5	-83.5	152.9	0	0	0	112.7
605	V	31.8	Very low	36.1	Very low	119 Å²	119	137.5 Å²	137.5	72%	0.721	83%	0.832	S	S	*	*			trans	77.6	149.4	132.3	168.5	0	0	0	0	117.3
606	P	58	Low	35.7	Very low	191 Å²	191	139.5 Å²	139.5	100%	1.24	84%	0.839	S	S	*	*			cis	-107.3	0	19.9	10.6	13.4	0	0	0	118.9

Retrieved 606 of 606 residues in 182.1 ms (Link to these results)

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