A0A077Z638_TRITR Loading...

Dual specificity tyrosine-phosphorylation-regulated kinase mbk-1

Possible role in the function of olfactory neurons.

AlphaFold DB , UniProt , Accession A0A077Z638, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30.5	Very low	240 Å²	240	148.5 Å²	148.5	100%	1.182	87%	0.871	S	S	*	*				0	75.7	0	-67.6	178	166.7	0	0	106.6
2	V	34.7	Very low	30.7	Very low	152 Å²	152	148.3 Å²	148.3	92%	0.921	86%	0.861	S	S	*	*				-142.8	123.6	55.7	174.6	0	0	0	0	107.4
3	S	25.4	Very low	30.6	Very low	96 Å²	96	146.5 Å²	146.5	67%	0.671	86%	0.859	S	S	*	*			trans	-122.2	153.9	175.2	48.7	0	0	0	0	107.9
4	E	29	Very low	31	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	84%	0.842	S	S	*	*			trans	80.5	106	173.6	-58.3	178.9	147.9	0	0	116.7
5	Q	30.1	Very low	31.2	Very low	190 Å²	190	137.7 Å²	137.7	89%	0.888	81%	0.813	S	S	*	*			trans	175.2	67	139.1	-98.7	176.3	-4.7	0	0	110.9
6	L	28.9	Very low	32.1	Very low	182 Å²	182	135.9 Å²	135.9	95%	0.953	81%	0.81	S	S	*	*			trans	-152.9	84.2	160.5	-80	-179.6	0	0	0	109.2
7	S	27.6	Very low	32.9	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	79%	0.789	S	S	*	*			trans	-152.4	152.8	162.5	-175.8	0	0	0	0	108.9
8	S	29.5	Very low	33.4	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	77%	0.766	S	S	*	*			trans	73.2	94.1	-178.1	79.3	0	0	0	0	116.9
9	D	32.9	Very low	33.7	Very low	169 Å²	169	123.8 Å²	123.8	90%	0.904	76%	0.755	S	S	*	*			trans	179.1	92.3	134.6	-89	-17.9	0	0	0	111.4
10	A	32.1	Very low	34.4	Very low	101 Å²	101	120.9 Å²	120.9	84%	0.835	75%	0.745	S	S	*	*			trans	175.9	56.4	143.6	0	0	0	0	0	108.8
11	A	33.3	Very low	35.1	Very low	100 Å²	100	120 Å²	120	83%	0.826	73%	0.734	S	S	*	*			trans	-66.5	137.2	169.9	0	0	0	0	0	109.9	C13	A11-C13 PolarHBondContact O-N 3.46Å; A11-C13 VanDerWaalsContact O-N 3.08Å
12	I	33.1	Very low	35.6	Very low	146 Å²	146	116.7 Å²	116.7	75%	0.749	71%	0.709	S	S	*	*			trans	-65.5	104.4	175.6	-66.1	167.6	0	0	0	108.1	V14	I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 HydrophobicContact CG2-CG2 3.87Å; I12-V14 PolarHBondContact O-N 3.38Å; I12-V14 VanDerWaalsContact O-N 3.1Å
13	C	29.8	Very low	36.3	Very low	125 Å²	125	113.7 Å²	113.7	85%	0.845	69%	0.693	S	S	*	*			trans	-80.5	83.6	168.9	-160	0	0	0	0	108.8	A11	A11-C13 PolarHBondContact O-N 3.46Å; A11-C13 VanDerWaalsContact O-N 3.08Å
14	V	35.2	Very low	37.2	Very low	102 Å²	102	111.1 Å²	111.1	62%	0.618	68%	0.682	S	S	*	*			trans	-87.6	111.3	150.6	-178.8	0	0	0	0	104.7	I12 S16 A18	I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 HydrophobicContact CG2-CG2 3.87Å; I12-V14 PolarHBondContact O-N 3.38Å; I12-V14 VanDerWaalsContact O-N 3.1Å; V14-S16 PolarHBondContact O-N 3.25Å; V14-A18 HydrophobicContact CG1-CB 4.33Å
15	S	34.7	Very low	38.3	Very low	58 Å²	58	107.4 Å²	107.4	41%	0.406	67%	0.665	S	S	.	*			trans	-48.5	135.3	-177.3	66	0	0	0	0	111	S17 A18	S15-S17 PolarHBondContact O-N 3.46Å; S15-S17 PolarHBondContact OG-OG 2.94Å; S15-A18 PolarHBondContact O-N 3.22Å
16	S	45	Very low	39.1	Very low	109 Å²	109	104.1 Å²	104.1	76%	0.762	65%	0.648	S	S	*	*	H	α-helix	trans	-54.3	-18.5	172.7	68.1	0	0	0	0	113	V14 A18 A20	V14-S16 PolarHBondContact O-N 3.25Å; S16-A18 PolarHBondContact O-N 3.49Å; S16-A20 PolarHBondContact O-N 3.02Å
17	S	46.1	Very low	40.1	Very low	65 Å²	65	100.8 Å²	100.8	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-62.5	-36.6	174.5	87.6	0	0	0	0	113.6	S15 A20 I21	S15-S17 PolarHBondContact O-N 3.46Å; S15-S17 PolarHBondContact OG-OG 2.94Å; S17-A20 PolarHBondContact O-N 3.45Å; S17-I21 WeakPolarHBondContact O-CD1 3.16Å; S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 3.32Å
18	A	41.2	Very low	41.2	Very low	46 Å²	46	102.3 Å²	102.3	38%	0.38	62%	0.624	S	S	.	*	H	α-helix	trans	-73.6	-36.3	-175.3	0	0	0	0	0	112.3	V14 S15 S16 W22	V14-A18 HydrophobicContact CG1-CB 4.33Å; S15-A18 PolarHBondContact O-N 3.22Å; S16-A18 PolarHBondContact O-N 3.49Å; A18-W22 PolarHBondContact O-N 3.21Å
19	A	40.8	Very low	42.1	Very low	67 Å²	67	101.9 Å²	101.9	55%	0.554	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-38.1	175.9	0	0	0	0	0	111.9	W22 C23	A19-W22 PolarHBondContact O-N 3.38Å; A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 VanDerWaalsContact O-N 3.15Å
20	A	47.5	Very low	42.8	Very low	66 Å²	66	103.5 Å²	103.5	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-39	176	0	0	0	0	0	112.5	S16 S17 W22 C23 G24	S16-A20 PolarHBondContact O-N 3.02Å; S17-A20 PolarHBondContact O-N 3.45Å; A20-W22 VanDerWaalsContact C-N 3.26Å; A20-W22 PolarHBondContact O-N 3.22Å; A20-C23 PolarHBondContact O-N 3.05Å; A20-G24 PolarHBondContact O-N 3.02Å
21	I	49	Very low	43.7	Very low	101 Å²	101	103.3 Å²	103.3	52%	0.518	60%	0.6	S	S	.	*	H	α-helix	trans	-62.1	-35.9	174.7	-69	163.7	0	0	0	111	S17 Q25	S17-I21 WeakPolarHBondContact O-CD1 3.16Å; S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 3.32Å; I21-Q25 PolarHBondContact O-N 3.3Å
22	W	41.5	Very low	44.6	Very low	172 Å²	172	101.2 Å²	101.2	65%	0.652	58%	0.583	S	S	*	*	H	α-helix	trans	-74.9	-36.6	-178.9	-130.2	61.7	0	0	0	113.7	A18 A19 A20 Q25 F26	A18-W22 PolarHBondContact O-N 3.21Å; A19-W22 PolarHBondContact O-N 3.38Å; A20-W22 VanDerWaalsContact C-N 3.26Å; A20-W22 PolarHBondContact O-N 3.22Å; W22-Q25 PolarHBondContact O-N 3.36Å; W22-F26 HydrophobicContact CE3-CD2 4.27Å; W22-F26 HydrophobicContact CE3-CE2 4.28Å; W22-F26 HydrophobicContact CH2-CE2 4.03Å; W22-F26 HydrophobicContact CZ3-CD2 4.27Å; W22-F26 AromaticContact CZ3-CE2 3.82Å; W22-F26 HydrophobicContact CZ3-CE2 3.82Å; W22-F26 PolarHBondContact O-N 3.43Å
23	C	49.1	Very low	45.4	Very low	89 Å²	89	101.7 Å²	101.7	60%	0.601	58%	0.576	S	S	*	*	H	α-helix	trans	-65	-41.7	172.7	-80.9	0	0	0	0	112	A19 A20 Q25 F26 D27	A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 VanDerWaalsContact O-N 3.15Å; A20-C23 PolarHBondContact O-N 3.05Å; C23-Q25 VanDerWaalsContact C-N 3.34Å; C23-Q25 PolarHBondContact O-N 3.15Å; C23-F26 PolarHBondContact O-N 3.27Å; C23-D27 PolarHBondContact O-N 3.1Å
24	G	45.4	Very low	46.4	Very low	42 Å²	42	107.1 Å²	107.1	43%	0.433	58%	0.579	S	S	.	*	H	α-helix	trans	-63.7	-35.9	177.9	0	0	0	0	0	113.8	A20 Q28	A20-G24 PolarHBondContact O-N 3.02Å; G24-Q28 PolarHBondContact O-N 3.08Å
25	Q	52.5	Low	47.3	Very low	106 Å²	106	106.4 Å²	106.4	50%	0.495	57%	0.572	S	S	.	*	H	α-helix	trans	-71.7	-29.8	175.6	-81.2	-178.2	-27.1	0	0	113.1	I21 W22 C23 L29	I21-Q25 PolarHBondContact O-N 3.3Å; W22-Q25 PolarHBondContact O-N 3.36Å; C23-Q25 VanDerWaalsContact C-N 3.34Å; C23-Q25 PolarHBondContact O-N 3.15Å; Q25-L29 PolarHBondContact O-N 3.4Å; Q25-L29 VanDerWaalsContact O-N 3.14Å
26	F	47	Very low	48.3	Very low	121 Å²	121	114.4 Å²	114.4	53%	0.531	59%	0.593	S	S	.	*	H	α-helix	trans	-71.2	-36.9	178.3	-117.5	-86.6	0	0	0	112.9	W22 C23 L29 R30	W22-F26 HydrophobicContact CE3-CD2 4.27Å; W22-F26 HydrophobicContact CE3-CE2 4.28Å; W22-F26 HydrophobicContact CH2-CE2 4.03Å; W22-F26 HydrophobicContact CZ3-CD2 4.27Å; W22-F26 AromaticContact CZ3-CE2 3.82Å; W22-F26 HydrophobicContact CZ3-CE2 3.82Å; W22-F26 PolarHBondContact O-N 3.43Å; C23-F26 PolarHBondContact O-N 3.27Å; F26-L29 WeakPolarHBondContact O-CB 3.48Å; F26-L29 PolarHBondContact O-N 3.23Å; F26-R30 PolarHBondContact O-N 3.38Å
27	D	49.9	Very low	49	Very low	112 Å²	112	112.3 Å²	112.3	60%	0.599	58%	0.578	S	S	*	*	H	α-helix	trans	-70.2	-33.8	175.9	-81.8	-29.1	0	0	0	112.4	C23 L29 R30	C23-D27 PolarHBondContact O-N 3.1Å; D27-L29 VanDerWaalsContact C-N 3.35Å; D27-R30 WeakPolarHBondContact O-CB 3.49Å; D27-R30 PolarHBondContact O-N 3.3Å
28	Q	50.4	Low	49.7	Very low	150 Å²	150	112.5 Å²	112.5	70%	0.701	58%	0.576	S	S	*	*	H	α-helix	trans	-65.2	-37.5	171.4	-75.5	-175	-8.3	0	0	112.4	G24 R30 S31 A32	G24-Q28 PolarHBondContact O-N 3.08Å; Q28-R30 VanDerWaalsContact C-N 3.27Å; Q28-R30 PolarHBondContact O-N 3.14Å; Q28-S31 PolarHBondContact O-N 3.22Å; Q28-A32 PolarHBondContact O-N 3.39Å
29	L	47.3	Very low	50.4	Low	92 Å²	92	111.5 Å²	111.5	48%	0.482	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-33.6	174.4	-82.3	160.6	0	0	0	112	Q25 F26 D27 S31 A32 Y33	Q25-L29 PolarHBondContact O-N 3.4Å; Q25-L29 VanDerWaalsContact O-N 3.14Å; F26-L29 WeakPolarHBondContact O-CB 3.48Å; F26-L29 PolarHBondContact O-N 3.23Å; D27-L29 VanDerWaalsContact C-N 3.35Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.49Å; L29-A32 PolarHBondContact O-N 3.19Å; L29-Y33 WeakPolarHBondContact O-CD2 3.46Å
30	R	46.9	Very low	51	Low	203 Å²	203	111 Å²	111	77%	0.766	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-34.4	-179.6	-137.2	176	-174.9	171.1	0.9	112.9	F26 D27 Q28	F26-R30 PolarHBondContact O-N 3.38Å; D27-R30 WeakPolarHBondContact O-CB 3.49Å; D27-R30 PolarHBondContact O-N 3.3Å; Q28-R30 VanDerWaalsContact C-N 3.27Å; Q28-R30 PolarHBondContact O-N 3.14Å
31	S	52.5	Low	51.3	Low	98 Å²	98	114.6 Å²	114.6	69%	0.685	57%	0.569	S	S	*	*	H	α-helix	trans	-75.7	-29.1	176.9	-172.7	0	0	0	0	113.1	Q28 L29 Y33	Q28-S31 PolarHBondContact O-N 3.22Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.49Å; S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.3Å
32	A	51.8	Low	51.7	Low	56 Å²	56	116.2 Å²	116.2	46%	0.463	57%	0.568	S	S	.	*	H	α-helix	trans	-72.3	-18.4	-177.2	0	0	0	0	0	113.9	Q28 L29 R34	Q28-A32 PolarHBondContact O-N 3.39Å; L29-A32 PolarHBondContact O-N 3.19Å; A32-R34 VanDerWaalsContact C-N 3.27Å; A32-R34 PolarHBondContact O-N 2.67Å
33	Y	49.2	Very low	52.5	Low	156 Å²	156	112.7 Å²	112.7	61%	0.612	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	1.2	-175.4	-94.9	-108.8	0	0	0	115.4	L29 S31 P40	L29-Y33 WeakPolarHBondContact O-CD2 3.46Å; S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.3Å; Y33-P40 HydrophobicContact CD1-CG 3.88Å; Y33-P40 HydrophobicContact CE1-CG 3.25Å
34	R	51.6	Low	52.8	Low	239 Å²	239	111.7 Å²	111.7	90%	0.902	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-17.6	178.5	-80.2	-171.8	175.4	-175.1	0	115.1	A32 R36	A32-R34 VanDerWaalsContact C-N 3.27Å; A32-R34 PolarHBondContact O-N 2.67Å; R34-R36 PolarHBondContact O-N 3.4Å
35	D	54.9	Low	53.2	Low	87 Å²	87	112.6 Å²	112.6	47%	0.465	55%	0.545	S	S	.	.			trans	-79.1	118.7	178.8	-179.4	5.6	0	0	0	110.9	S37 V38 A39	D35-S37 PolarHBondContact O-N 3.26Å; D35-S37 VanDerWaalsContact O-N 3.13Å; D35-S37 WeakPolarHBondContact OD1-CB 3.09Å; D35-S37 PolarHBondContact OD1-N 3.2Å; D35-S37 PolarHBondContact OD1-OG 2.7Å; D35-S37 PolarHBondContact OD2-OG 3.35Å; D35-V38 HydrophobicContact CB-CG2 3.72Å; D35-V38 PolarHBondContact O-N 3.38Å; D35-V38 WeakPolarHBondContact OD2-CG2 3.27Å; D35-A39 PolarHBondContact O-N 3.01Å
36	R	54.7	Low	53.6	Low	226 Å²	226	112.6 Å²	112.6	85%	0.853	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-27.7	176.8	-119	-178.9	-157.4	179.2	6.3	112.5	R34 V38	R34-R36 PolarHBondContact O-N 3.4Å; R36-V38 PolarHBondContact O-N 3.31Å
37	S	60.7	Low	54.4	Low	65 Å²	65	110 Å²	110	46%	0.455	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.6	178.7	86.5	0	0	0	0	112.6	D35	D35-S37 PolarHBondContact O-N 3.26Å; D35-S37 VanDerWaalsContact O-N 3.13Å; D35-S37 WeakPolarHBondContact OD1-CB 3.09Å; D35-S37 PolarHBondContact OD1-N 3.2Å; D35-S37 PolarHBondContact OD1-OG 2.7Å; D35-S37 PolarHBondContact OD2-OG 3.35Å
38	V	60.4	Low	55.1	Low	68 Å²	68	109.5 Å²	109.5	41%	0.412	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	1.4	-174	-141.4	0	0	0	0	112.4	D35 R36	D35-V38 HydrophobicContact CB-CG2 3.72Å; D35-V38 PolarHBondContact O-N 3.38Å; D35-V38 WeakPolarHBondContact OD2-CG2 3.27Å; R36-V38 PolarHBondContact O-N 3.31Å
39	A	56.2	Low	55.9	Low	26 Å²	26	108.5 Å²	108.5	22%	0.215	54%	0.539	C	S	.	.			trans	-53.7	132.4	-177.7	0	0	0	0	0	111.1	D35 L41 R42 K43	D35-A39 PolarHBondContact O-N 3.01Å; A39-L41 PolarHBondContact O-N 3.38Å; A39-L41 VanDerWaalsContact O-N 3.12Å; A39-R42 HydrophobicContact CB-CB 4.44Å; A39-R42 WeakPolarHBondContact O-CA 3.38Å; A39-R42 WeakPolarHBondContact O-CB 3.49Å; A39-R42 PolarHBondContact O-N 2.97Å; A39-K43 PolarHBondContact O-N 3.13Å
40	P	53.7	Low	56.9	Low	56 Å²	56	112.1 Å²	112.1	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-52.9	-38.7	-178.9	-24.2	29.3	0	0	0	112.9	Y33 R42 K43 L44	Y33-P40 HydrophobicContact CD1-CG 3.88Å; Y33-P40 HydrophobicContact CE1-CG 3.25Å; P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 PolarHBondContact O-N 3.46Å; P40-K43 PolarHBondContact O-N 3.19Å; P40-L44 WeakPolarHBondContact O-CB 3.47Å; P40-L44 WeakPolarHBondContact O-CG 3.48Å; P40-L44 PolarHBondContact O-N 3.26Å
41	L	53.6	Low	57.8	Low	141 Å²	141	103.7 Å²	103.7	74%	0.738	52%	0.517	S	S	*	.	H	α-helix	trans	-59.7	-35.4	175.5	-86.6	157.1	0	0	0	112.8	A39 L44 S45	A39-L41 PolarHBondContact O-N 3.38Å; A39-L41 VanDerWaalsContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.44Å; L41-S45 WeakPolarHBondContact O-CB 3.32Å; L41-S45 PolarHBondContact O-N 3.21Å; L41-S45 VanDerWaalsContact O-N 3.15Å; L41-S45 PolarHBondContact O-OG 2.88Å
42	R	56.6	Low	58.5	Low	136 Å²	136	105.7 Å²	105.7	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-74.4	-40	178	-156.1	-177.5	-172.4	-148.3	4.9	111.4	A39 P40 L44 S45 V46	A39-R42 HydrophobicContact CB-CB 4.44Å; A39-R42 WeakPolarHBondContact O-CA 3.38Å; A39-R42 WeakPolarHBondContact O-CB 3.49Å; A39-R42 PolarHBondContact O-N 2.97Å; P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 PolarHBondContact O-N 3.46Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.24Å; R42-S45 WeakPolarHBondContact CA-OG 3.35Å; R42-S45 PolarHBondContact O-N 3.42Å; R42-S45 PolarHBondContact O-OG 3.2Å; R42-V46 HydrophobicContact CG-CG2 3.96Å; R42-V46 WeakPolarHBondContact O-CB 3.36Å; R42-V46 PolarHBondContact O-N 3.45Å
43	K	57.5	Low	59.3	Low	97 Å²	97	108.1 Å²	108.1	42%	0.422	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-38.8	171.1	-78.3	-168.8	175.2	179.9	0	111.9	A39 P40 S45 D47 T51	A39-K43 PolarHBondContact O-N 3.13Å; P40-K43 PolarHBondContact O-N 3.19Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 2.87Å; K43-D47 CarbonylContact O-C 3.59Å; K43-D47 PolarHBondContact O-N 3.27Å; K43-T51 PolarHBondContact O-OG1 3.35Å
44	L	55.8	Low	60.2	Low	68 Å²	68	106.2 Å²	106.2	36%	0.356	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.6	176.7	-75.6	164.3	0	0	0	115	P40 L41 R42 L48 T51 I540	P40-L44 WeakPolarHBondContact O-CB 3.47Å; P40-L44 WeakPolarHBondContact O-CG 3.48Å; P40-L44 PolarHBondContact O-N 3.26Å; L41-L44 PolarHBondContact O-N 3.44Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.24Å; L44-L48 WeakPolarHBondContact O-CD1 3.38Å; L44-T51 HydrophobicContact CD2-CG2 4.39Å; L44-I540 HydrophobicContact CD2-CD1 4.24Å
45	S	54.1	Low	61.1	Low	61 Å²	61	99.1 Å²	99.1	43%	0.427	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-34.6	-178.7	49.4	0	0	0	0	114	L41 R42 K43	L41-S45 WeakPolarHBondContact O-CB 3.32Å; L41-S45 PolarHBondContact O-N 3.21Å; L41-S45 VanDerWaalsContact O-N 3.15Å; L41-S45 PolarHBondContact O-OG 2.88Å; R42-S45 WeakPolarHBondContact CA-OG 3.35Å; R42-S45 PolarHBondContact O-N 3.42Å; R42-S45 PolarHBondContact O-OG 3.2Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 2.87Å
46	V	61.3	Low	61.7	Low	107 Å²	107	98.3 Å²	98.3	65%	0.648	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-38	-174.7	-173.1	0	0	0	0	111.9	R42	R42-V46 HydrophobicContact CG-CG2 3.96Å; R42-V46 WeakPolarHBondContact O-CB 3.36Å; R42-V46 PolarHBondContact O-N 3.45Å
47	D	63.5	Low	62.4	Low	66 Å²	66	93.2 Å²	93.2	35%	0.353	47%	0.47	S	S	.	.			trans	-108.2	38.6	-171.2	-126	-10.2	0	0	0	111	K43 I49 R50 T51	K43-D47 CarbonylContact O-C 3.59Å; K43-D47 PolarHBondContact O-N 3.27Å; D47-I49 VanDerWaalsContact C-N 3.3Å; D47-I49 PolarHBondContact O-N 3.36Å; D47-R50 HydrophobicContact CB-CB 4.4Å; D47-R50 PolarHBondContact O-N 2.81Å; D47-R50 VanDerWaalsContact O-N 3.15Å; D47-T51 WeakPolarHBondContact O-CB 3.37Å; D47-T51 PolarHBondContact O-N 2.74Å; D47-T51 PolarHBondContact O-OG1 3.3Å
48	L	64.8	Low	62.9	Low	101 Å²	101	94.3 Å²	94.3	53%	0.529	47%	0.473	S	S	.	.	H	α-helix	trans	-56.3	-42.3	-167.8	-146.5	89.3	0	0	0	112.3	L44 T51 Y52	L44-L48 WeakPolarHBondContact O-CD1 3.38Å; L48-T51 PolarHBondContact O-N 3.34Å; L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.45Å; L48-Y52 PolarHBondContact O-N 3.28Å
49	I	66.4	Low	63.2	Low	129 Å²	129	96.3 Å²	96.3	66%	0.662	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-48.3	179.6	-64.2	172.5	0	0	0	110.6	D47 T51 Y52 Q53	D47-I49 VanDerWaalsContact C-N 3.3Å; D47-I49 PolarHBondContact O-N 3.36Å; I49-T51 VanDerWaalsContact C-N 3.31Å; I49-T51 PolarHBondContact O-N 2.95Å; I49-Y52 PolarHBondContact O-N 3.1Å; I49-Q53 WeakPolarHBondContact O-CG 3.44Å; I49-Q53 PolarHBondContact O-N 2.84Å
50	R	69.9	Low	63.7	Low	169 Å²	169	99.2 Å²	99.2	64%	0.638	49%	0.486	S	S	*	.	H	α-helix	trans	-62.1	-40.2	177.2	-106.6	-178.8	174.3	-176.1	-0.5	111.9	D47 Q53 H54	D47-R50 HydrophobicContact CB-CB 4.4Å; D47-R50 PolarHBondContact O-N 2.81Å; D47-R50 VanDerWaalsContact O-N 3.15Å; R50-Q53 PolarHBondContact O-N 3.32Å; R50-H54 PolarHBondContact O-N 3.11Å
51	T	65.4	Low	64.5	Low	25 Å²	25	102.4 Å²	102.4	15%	0.153	49%	0.494	C	S	.	.	H	α-helix	trans	-65	-43.6	176.7	-56.9	0	0	0	0	110.6	K43 L44 D47 L48 I49 H54 I55	K43-T51 PolarHBondContact O-OG1 3.35Å; L44-T51 HydrophobicContact CD2-CG2 4.39Å; D47-T51 WeakPolarHBondContact O-CB 3.37Å; D47-T51 PolarHBondContact O-N 2.74Å; D47-T51 PolarHBondContact O-OG1 3.3Å; L48-T51 PolarHBondContact O-N 3.34Å; I49-T51 VanDerWaalsContact C-N 3.31Å; I49-T51 PolarHBondContact O-N 2.95Å; T51-H54 PolarHBondContact O-N 3.46Å; T51-I55 HydrophobicContact CG2-CD1 3.88Å; T51-I55 WeakPolarHBondContact O-CB 3.16Å; T51-I55 VanDerWaalsContact O-CG1 3.24Å; T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 3.03Å
52	Y	65.8	Low	65.4	Low	140 Å²	140	99 Å²	99	55%	0.549	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-39.3	176.6	-157.8	-89.8	0	0	0	112.3	L48 I49 I55 N56	L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.45Å; L48-Y52 PolarHBondContact O-N 3.28Å; I49-Y52 PolarHBondContact O-N 3.1Å; Y52-I55 PolarHBondContact O-N 2.92Å; Y52-N56 WeakPolarHBondContact O-CB 3.43Å; Y52-N56 PolarHBondContact O-N 3.25Å
53	Q	69.5	Low	66.1	Low	108 Å²	108	96 Å²	96	51%	0.505	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-49.6	174	-75.7	172.4	-21	0	0	111.4	I49 R50 I55 N56 E57	I49-Q53 WeakPolarHBondContact O-CG 3.44Å; I49-Q53 PolarHBondContact O-N 2.84Å; R50-Q53 PolarHBondContact O-N 3.32Å; Q53-I55 PolarHBondContact O-N 3.45Å; Q53-N56 PolarHBondContact O-N 3.43Å; Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.38Å
54	H	68.4	Low	66.7	Low	116 Å²	116	96.5 Å²	96.5	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-40.9	175.9	-97.9	167	0	0	0	112.8	R50 T51 N56 E57 V58	R50-H54 PolarHBondContact O-N 3.11Å; T51-H54 PolarHBondContact O-N 3.46Å; H54-N56 VanDerWaalsContact C-N 3.31Å; H54-N56 PolarHBondContact O-N 2.81Å; H54-E57 IonicContact CD2-OE2 3.46Å; H54-E57 PolarHBondContact CD2-OE2 2.81Å; H54-E57 PolarHBondContact O-N 2.95Å; H54-V58 WeakPolarHBondContact O-CB 3.47Å; H54-V58 VanDerWaalsContact O-CG2 3.26Å; H54-V58 WeakPolarHBondContact O-CG2 3.48Å; H54-V58 PolarHBondContact O-N 3.45Å
55	I	69.5	Low	67.5	Low	90 Å²	90	97.7 Å²	97.7	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-42.2	176.4	-70.9	167.3	0	0	0	110.2	T51 Y52 Q53 V58 W59	T51-I55 HydrophobicContact CG2-CD1 3.88Å; T51-I55 WeakPolarHBondContact O-CB 3.16Å; T51-I55 VanDerWaalsContact O-CG1 3.24Å; T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 3.03Å; Y52-I55 PolarHBondContact O-N 2.92Å; Q53-I55 PolarHBondContact O-N 3.45Å; I55-V58 PolarHBondContact O-N 3.49Å; I55-W59 WeakPolarHBondContact O-CB 3.49Å; I55-W59 PolarHBondContact O-N 3.38Å
56	N	68.2	Low	68.4	Low	69 Å²	69	98.8 Å²	98.8	37%	0.369	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-40.2	175.7	-95.4	1	0	0	0	112.3	Y52 Q53 H54 W59 N60	Y52-N56 WeakPolarHBondContact O-CB 3.43Å; Y52-N56 PolarHBondContact O-N 3.25Å; Q53-N56 PolarHBondContact O-N 3.43Å; H54-N56 VanDerWaalsContact C-N 3.31Å; H54-N56 PolarHBondContact O-N 2.81Å; N56-W59 PolarHBondContact O-N 3.47Å; N56-N60 WeakPolarHBondContact O-CB 3.47Å; N56-N60 PolarHBondContact O-N 2.79Å; N56-N60 PolarHBondContact O-ND2 3.26Å
57	E	70	Confident	68.8	Low	120 Å²	120	99.9 Å²	99.9	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-47	175.5	-74.5	173.9	-177	0	0	111.4	Q53 H54 W59 N60 F61	Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.38Å; H54-E57 IonicContact CD2-OE2 3.46Å; H54-E57 PolarHBondContact CD2-OE2 2.81Å; H54-E57 PolarHBondContact O-N 2.95Å; E57-W59 PolarHBondContact O-N 3.12Å; E57-N60 PolarHBondContact O-N 3.01Å; E57-F61 WeakPolarHBondContact O-CB 3.2Å; E57-F61 PolarHBondContact O-N 3.49Å
58	V	69.5	Low	69.2	Low	87 Å²	87	103.5 Å²	103.5	53%	0.527	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.4	174	0	0	0	0	110.8	H54 I55 F61 V62	H54-V58 WeakPolarHBondContact O-CB 3.47Å; H54-V58 VanDerWaalsContact O-CG2 3.26Å; H54-V58 WeakPolarHBondContact O-CG2 3.48Å; H54-V58 PolarHBondContact O-N 3.45Å; I55-V58 PolarHBondContact O-N 3.49Å; V58-F61 CarbonylContact O-C 3.56Å; V58-F61 WeakPolarHBondContact O-CB 3.16Å; V58-F61 PolarHBondContact O-N 2.88Å; V58-V62 HydrophobicContact CG1-CG2 4.29Å; V58-V62 WeakPolarHBondContact O-CB 3.32Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.45Å; V58-V62 PolarHBondContact O-N 3.15Å
59	W	67	Low	69.5	Low	111 Å²	111	101.1 Å²	101.1	42%	0.42	48%	0.484	S	S	.	.	H	α-helix	trans	-66.9	-41.8	178.8	-170.1	84.4	0	0	0	111.8	I55 N56 E57 F61 V62 I63 Y543	I55-W59 WeakPolarHBondContact O-CB 3.49Å; I55-W59 PolarHBondContact O-N 3.38Å; N56-W59 PolarHBondContact O-N 3.47Å; E57-W59 PolarHBondContact O-N 3.12Å; W59-F61 VanDerWaalsContact C-N 3.31Å; W59-F61 PolarHBondContact O-N 3.18Å; W59-V62 PolarHBondContact O-N 2.75Å; W59-I63 HydrophobicContact CD2-CD1 3.96Å; W59-I63 HydrophobicContact CD2-CG1 4.17Å; W59-I63 HydrophobicContact CE3-CD1 3.79Å; W59-I63 HydrophobicContact CE3-CG1 4.26Å; W59-I63 HydrophobicContact CH2-CD1 3.2Å; W59-I63 HydrophobicContact CH2-CG1 4.38Å; W59-I63 HydrophobicContact CZ2-CD1 3.36Å; W59-I63 HydrophobicContact CZ2-CG1 4.27Å; W59-I63 HydrophobicContact CZ3-CD1 3.41Å; W59-I63 VanDerWaalsContact CZ3-CD1 3.41Å; W59-I63 HydrophobicContact CZ3-CG1 4.36Å; W59-I63 WeakPolarHBondContact O-CB 3.42Å; W59-I63 WeakPolarHBondContact O-CG1 3.19Å; W59-I63 PolarHBondContact O-N 2.83Å; W59-Y543 AromaticContact NE1-CE1 3.89Å
60	N	66.7	Low	69.9	Low	87 Å²	87	97.7 Å²	97.7	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-41	172	-81.2	-54.2	0	0	0	111.5	N56 E57 I63 Q64	N56-N60 WeakPolarHBondContact O-CB 3.47Å; N56-N60 PolarHBondContact O-N 2.79Å; N56-N60 PolarHBondContact O-ND2 3.26Å; E57-N60 PolarHBondContact O-N 3.01Å; N60-I63 PolarHBondContact O-N 3.29Å; N60-Q64 WeakPolarHBondContact O-CB 3.44Å; N60-Q64 WeakPolarHBondContact O-CG 3.43Å; N60-Q64 PolarHBondContact O-N 3.42Å
61	F	72.1	Confident	70.1	Confident	122 Å²	122	94.7 Å²	94.7	54%	0.535	46%	0.461	S	S	.	.	H	α-helix	trans	-65.1	-42.7	175.5	-173.3	-103.9	0	0	0	112.1	E57 V58 W59 Q64 L65	E57-F61 WeakPolarHBondContact O-CB 3.2Å; E57-F61 PolarHBondContact O-N 3.49Å; V58-F61 CarbonylContact O-C 3.56Å; V58-F61 WeakPolarHBondContact O-CB 3.16Å; V58-F61 PolarHBondContact O-N 2.88Å; W59-F61 VanDerWaalsContact C-N 3.31Å; W59-F61 PolarHBondContact O-N 3.18Å; F61-Q64 WeakPolarHBondContact O-CB 3.26Å; F61-Q64 PolarHBondContact O-N 3.43Å; F61-L65 HydrophobicContact CD1-CD1 3.75Å; F61-L65 HydrophobicContact CD1-CG 4.22Å; F61-L65 HydrophobicContact CE1-CD1 3.37Å; F61-L65 HydrophobicContact CE1-CD2 4.5Å; F61-L65 HydrophobicContact CE1-CG 3.94Å; F61-L65 HydrophobicContact CZ-CD1 4.07Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CG 3.35Å; F61-L65 PolarHBondContact O-N 2.77Å
62	V	72.7	Confident	70.6	Confident	69 Å²	69	100.4 Å²	100.4	42%	0.418	48%	0.483	S	S	.	.	H	α-helix	trans	-65	-43.2	175.8	170.7	0	0	0	0	111	V58 W59 Q64 L65 V66	V58-V62 HydrophobicContact CG1-CG2 4.29Å; V58-V62 WeakPolarHBondContact O-CB 3.32Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.45Å; V58-V62 PolarHBondContact O-N 3.15Å; W59-V62 PolarHBondContact O-N 2.75Å; V62-Q64 VanDerWaalsContact C-N 3.31Å; V62-Q64 PolarHBondContact O-N 2.8Å; V62-L65 PolarHBondContact O-N 3.39Å; V62-V66 HydrophobicContact CG1-CG2 4.27Å; V62-V66 WeakPolarHBondContact O-CB 3.39Å; V62-V66 WeakPolarHBondContact O-CG2 3.1Å; V62-V66 PolarHBondContact O-N 2.79Å
63	I	70	Confident	71	Confident	75 Å²	75	102.5 Å²	102.5	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-42.5	174.1	-75.5	-158.7	0	0	0	110.9	W59 N60 V66 Y67	W59-I63 HydrophobicContact CD2-CD1 3.96Å; W59-I63 HydrophobicContact CD2-CG1 4.17Å; W59-I63 HydrophobicContact CE3-CD1 3.79Å; W59-I63 HydrophobicContact CE3-CG1 4.26Å; W59-I63 HydrophobicContact CH2-CD1 3.2Å; W59-I63 HydrophobicContact CH2-CG1 4.38Å; W59-I63 HydrophobicContact CZ2-CD1 3.36Å; W59-I63 HydrophobicContact CZ2-CG1 4.27Å; W59-I63 HydrophobicContact CZ3-CD1 3.41Å; W59-I63 VanDerWaalsContact CZ3-CD1 3.41Å; W59-I63 HydrophobicContact CZ3-CG1 4.36Å; W59-I63 WeakPolarHBondContact O-CB 3.42Å; W59-I63 WeakPolarHBondContact O-CG1 3.19Å; W59-I63 PolarHBondContact O-N 2.83Å; N60-I63 PolarHBondContact O-N 3.29Å; I63-V66 PolarHBondContact O-N 3.41Å; I63-Y67 WeakPolarHBondContact O-CB 3.1Å; I63-Y67 PolarHBondContact O-N 3.16Å
64	Q	70.4	Confident	71.2	Confident	107 Å²	107	105 Å²	105	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-47.2	173.7	-78.2	-176.1	2	0	0	110.8	N60 F61 V62 V66 Y67 Y68	N60-Q64 WeakPolarHBondContact O-CB 3.44Å; N60-Q64 WeakPolarHBondContact O-CG 3.43Å; N60-Q64 PolarHBondContact O-N 3.42Å; F61-Q64 WeakPolarHBondContact O-CB 3.26Å; F61-Q64 PolarHBondContact O-N 3.43Å; V62-Q64 VanDerWaalsContact C-N 3.31Å; V62-Q64 PolarHBondContact O-N 2.8Å; Q64-V66 PolarHBondContact O-N 3.18Å; Q64-Y67 PolarHBondContact O-N 2.89Å; Q64-Y68 HydrophobicContact CB-CD2 4.2Å; Q64-Y68 HydrophobicContact CB-CE2 4.25Å; Q64-Y68 WeakPolarHBondContact O-CB 3.21Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y68 PolarHBondContact O-N 3.17Å
65	L	71.4	Confident	71.4	Confident	92 Å²	92	102.6 Å²	102.6	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-45.4	177.2	-77	178.4	0	0	0	112.4	F61 V62 Y68 A69	F61-L65 HydrophobicContact CD1-CD1 3.75Å; F61-L65 HydrophobicContact CD1-CG 4.22Å; F61-L65 HydrophobicContact CE1-CD1 3.37Å; F61-L65 HydrophobicContact CE1-CD2 4.5Å; F61-L65 HydrophobicContact CE1-CG 3.94Å; F61-L65 HydrophobicContact CZ-CD1 4.07Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CG 3.35Å; F61-L65 PolarHBondContact O-N 2.77Å; V62-L65 PolarHBondContact O-N 3.39Å; L65-Y68 PolarHBondContact O-N 2.87Å; L65-A69 WeakPolarHBondContact O-CB 3.18Å; L65-A69 PolarHBondContact O-N 3.41Å
66	V	73.3	Confident	71.6	Confident	84 Å²	84	103 Å²	103	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-42.8	176.5	172.1	0	0	0	0	110.3	V62 I63 Q64 T70	V62-V66 HydrophobicContact CG1-CG2 4.27Å; V62-V66 WeakPolarHBondContact O-CB 3.39Å; V62-V66 WeakPolarHBondContact O-CG2 3.1Å; V62-V66 PolarHBondContact O-N 2.79Å; I63-V66 PolarHBondContact O-N 3.41Å; Q64-V66 PolarHBondContact O-N 3.18Å; V66-T70 WeakPolarHBondContact O-CB 3.32Å; V66-T70 PolarHBondContact O-N 3.28Å; V66-T70 PolarHBondContact O-OG1 2.82Å
67	Y	70.5	Confident	71.8	Confident	131 Å²	131	105.3 Å²	105.3	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-49.9	175.5	173.7	-95.1	0	0	0	111.4	I63 Q64 T70 K71	I63-Y67 WeakPolarHBondContact O-CB 3.1Å; I63-Y67 PolarHBondContact O-N 3.16Å; Q64-Y67 PolarHBondContact O-N 2.89Å; Y67-T70 PolarHBondContact O-N 2.83Å; Y67-K71 HydrophobicContact CE1-CD 3.96Å; Y67-K71 WeakPolarHBondContact O-CB 3.33Å; Y67-K71 PolarHBondContact O-N 3.42Å
68	Y	71.7	Confident	71.8	Confident	142 Å²	142	106.6 Å²	106.6	56%	0.557	50%	0.499	S	S	*	.	H	α-helix	trans	-67.6	-39	179.5	-79	-69.4	0	0	0	112	Q64 L65 K71 K72	Q64-Y68 HydrophobicContact CB-CD2 4.2Å; Q64-Y68 HydrophobicContact CB-CE2 4.25Å; Q64-Y68 WeakPolarHBondContact O-CB 3.21Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y68 PolarHBondContact O-N 3.17Å; L65-Y68 PolarHBondContact O-N 2.87Å; Y68-K71 PolarHBondContact O-N 2.79Å; Y68-K72 WeakPolarHBondContact O-CB 3.17Å; Y68-K72 PolarHBondContact O-N 3.12Å
69	A	72.3	Confident	71.9	Confident	50 Å²	50	109.4 Å²	109.4	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-42.7	174.9	0	0	0	0	0	111.4	L65 K72 R73	L65-A69 WeakPolarHBondContact O-CB 3.18Å; L65-A69 PolarHBondContact O-N 3.41Å; A69-K72 PolarHBondContact O-N 3.23Å; A69-R73 WeakPolarHBondContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CG 3.28Å; A69-R73 PolarHBondContact O-N 2.78Å
70	T	73.9	Confident	71.9	Confident	57 Å²	57	106.3 Å²	106.3	35%	0.35	50%	0.503	S	S	.	.	H	α-helix	trans	-67.5	-41.4	176.2	-54.5	0	0	0	0	110.9	V66 Y67 R73 R74	V66-T70 WeakPolarHBondContact O-CB 3.32Å; V66-T70 PolarHBondContact O-N 3.28Å; V66-T70 PolarHBondContact O-OG1 2.82Å; Y67-T70 PolarHBondContact O-N 2.83Å; T70-R73 PolarHBondContact O-N 2.79Å; T70-R74 WeakPolarHBondContact O-CB 3.49Å; T70-R74 VanDerWaalsContact O-CG 3.32Å; T70-R74 WeakPolarHBondContact O-CG 3.46Å; T70-R74 PolarHBondContact O-N 3.3Å
71	K	74.2	Confident	71.7	Confident	107 Å²	107	107.4 Å²	107.4	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-46	174.3	-171.6	174.3	-176.9	175	0	110.5	Y67 Y68 R74 T75	Y67-K71 HydrophobicContact CE1-CD 3.96Å; Y67-K71 WeakPolarHBondContact O-CB 3.33Å; Y67-K71 PolarHBondContact O-N 3.42Å; Y68-K71 PolarHBondContact O-N 2.79Å; K71-R74 PolarHBondContact O-N 3.28Å; K71-T75 WeakPolarHBondContact O-CB 3.26Å; K71-T75 PolarHBondContact O-N 2.8Å; K71-T75 PolarHBondContact O-OG1 2.68Å
72	K	75	Confident	71.3	Confident	144 Å²	144	103 Å²	103	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-63.8	-43.5	176.2	-170	177.2	-179.4	-178.7	0	111.6	Y68 A69 T75 I76	Y68-K72 WeakPolarHBondContact O-CB 3.17Å; Y68-K72 PolarHBondContact O-N 3.12Å; A69-K72 PolarHBondContact O-N 3.23Å; K72-T75 CarbonylContact O-C 3.59Å; K72-T75 PolarHBondContact O-N 3.21Å; K72-I76 HydrophobicContact CG-CD1 3.93Å; K72-I76 HydrophobicContact CG-CG1 4.49Å; K72-I76 WeakPolarHBondContact O-CB 3.49Å; K72-I76 VanDerWaalsContact O-CG1 3.26Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.83Å
73	R	74.8	Confident	70.6	Confident	184 Å²	184	102.3 Å²	102.3	69%	0.694	49%	0.491	S	S	*	.	H	α-helix	trans	-60.1	-44.8	173.3	-80.8	-175.3	-175.2	175.9	2.3	111.6	A69 T70 I76 Q77	A69-R73 WeakPolarHBondContact O-CB 3.32Å; A69-R73 WeakPolarHBondContact O-CG 3.28Å; A69-R73 PolarHBondContact O-N 2.78Å; T70-R73 PolarHBondContact O-N 2.79Å; R73-I76 PolarHBondContact O-N 2.76Å; R73-Q77 WeakPolarHBondContact O-CB 3.48Å; R73-Q77 PolarHBondContact O-N 3.46Å
74	R	74	Confident	70	Confident	160 Å²	160	105.1 Å²	105.1	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-38.9	174.4	-73.9	176.8	178.7	177.6	0.8	112.1	T70 K71 R78	T70-R74 WeakPolarHBondContact O-CB 3.49Å; T70-R74 VanDerWaalsContact O-CG 3.32Å; T70-R74 WeakPolarHBondContact O-CG 3.46Å; T70-R74 PolarHBondContact O-N 3.3Å; K71-R74 PolarHBondContact O-N 3.28Å; R74-R78 VanDerWaalsContact O-CB 3.3Å; R74-R78 WeakPolarHBondContact O-CB 3.4Å; R74-R78 VanDerWaalsContact O-CG 3.23Å; R74-R78 WeakPolarHBondContact O-CG 3.46Å; R74-R78 PolarHBondContact O-N 2.76Å
75	T	72.7	Confident	69.3	Low	67 Å²	67	102 Å²	102	41%	0.411	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-37.7	174.7	-55.3	0	0	0	0	111.7	K71 K72 K79	K71-T75 WeakPolarHBondContact O-CB 3.26Å; K71-T75 PolarHBondContact O-N 2.8Å; K71-T75 PolarHBondContact O-OG1 2.68Å; K72-T75 CarbonylContact O-C 3.59Å; K72-T75 PolarHBondContact O-N 3.21Å; T75-K79 VanDerWaalsContact O-CB 3.32Å; T75-K79 WeakPolarHBondContact O-CB 3.45Å; T75-K79 WeakPolarHBondContact O-CG 3.28Å; T75-K79 PolarHBondContact O-N 3.25Å
76	I	73.6	Confident	68.4	Low	97 Å²	97	106 Å²	106	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-70.6	-44.4	175.6	-68.7	166.6	0	0	0	110.6	K72 R73 K79 A80	K72-I76 HydrophobicContact CG-CD1 3.93Å; K72-I76 HydrophobicContact CG-CG1 4.49Å; K72-I76 WeakPolarHBondContact O-CB 3.49Å; K72-I76 VanDerWaalsContact O-CG1 3.26Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.83Å; R73-I76 PolarHBondContact O-N 2.76Å; I76-K79 CarbonylContact O-C 3.44Å; I76-K79 PolarHBondContact O-N 3.41Å; I76-K79 VanDerWaalsContact O-N 3.15Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.21Å
77	Q	71.9	Confident	67.3	Low	118 Å²	118	111.4 Å²	111.4	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-58.6	-47.4	173	-91.3	177.4	-31.7	0	0	110.7	R73 K79 A80 E81	R73-Q77 WeakPolarHBondContact O-CB 3.48Å; R73-Q77 PolarHBondContact O-N 3.46Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 3.24Å; Q77-A80 PolarHBondContact O-N 3.27Å; Q77-A80 VanDerWaalsContact O-N 3.16Å; Q77-E81 VanDerWaalsContact O-CB 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.17Å; Q77-E81 VanDerWaalsContact O-CG 3.31Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 2.94Å
78	R	69.2	Low	66.3	Low	148 Å²	148	108.5 Å²	108.5	56%	0.558	53%	0.534	S	S	*	.	H	α-helix	trans	-62.1	-38.1	173.5	-74.5	177.1	-179.1	-177.2	-2.6	112.8	R74 S82	R74-R78 VanDerWaalsContact O-CB 3.3Å; R74-R78 WeakPolarHBondContact O-CB 3.4Å; R74-R78 VanDerWaalsContact O-CG 3.23Å; R74-R78 WeakPolarHBondContact O-CG 3.46Å; R74-R78 PolarHBondContact O-N 2.76Å; R78-S82 WeakPolarHBondContact O-CB 3.05Å; R78-S82 PolarHBondContact O-N 3.25Å; R78-S82 PolarHBondContact O-OG 2.87Å
79	K	71.9	Confident	65.5	Low	145 Å²	145	110.9 Å²	110.9	63%	0.63	54%	0.542	S	S	*	.	H	α-helix	trans	-67.9	-35	174.5	-81.7	-174.3	177	-171	0	112.2	T75 I76 Q77 S82 A83	T75-K79 VanDerWaalsContact O-CB 3.32Å; T75-K79 WeakPolarHBondContact O-CB 3.45Å; T75-K79 WeakPolarHBondContact O-CG 3.28Å; T75-K79 PolarHBondContact O-N 3.25Å; I76-K79 CarbonylContact O-C 3.44Å; I76-K79 PolarHBondContact O-N 3.41Å; I76-K79 VanDerWaalsContact O-N 3.15Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 3.24Å; K79-S82 WeakPolarHBondContact CA-OG 3.32Å; K79-S82 PolarHBondContact O-OG 3.47Å; K79-A83 WeakPolarHBondContact O-CB 3.39Å; K79-A83 PolarHBondContact O-N 2.92Å
80	A	67.2	Low	65.2	Low	47 Å²	47	111.5 Å²	111.5	39%	0.388	55%	0.554	S	S	.	*	H	α-helix	trans	-74.6	-43.7	177	0	0	0	0	0	111.4	I76 Q77 A83 L84	I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.21Å; Q77-A80 PolarHBondContact O-N 3.27Å; Q77-A80 VanDerWaalsContact O-N 3.16Å; A80-A83 PolarHBondContact O-N 2.99Å; A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CD1 3.43Å; A80-L84 WeakPolarHBondContact O-CG 3.33Å; A80-L84 PolarHBondContact O-N 2.97Å
81	E	64	Low	65.4	Low	109 Å²	109	115.6 Å²	115.6	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-62.3	-48.3	172.7	-73.2	171	174.9	0	0	110.5	Q77 A83 L84 V85	Q77-E81 VanDerWaalsContact O-CB 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.17Å; Q77-E81 VanDerWaalsContact O-CG 3.31Å; Q77-E81 WeakPolarHBondContact O-CG 3.47Å; Q77-E81 PolarHBondContact O-N 2.94Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 3.35Å; E81-L84 PolarHBondContact O-N 2.9Å; E81-L84 VanDerWaalsContact O-N 3.17Å; E81-V85 WeakPolarHBondContact O-CB 3.49Å; E81-V85 VanDerWaalsContact O-CG2 3.26Å; E81-V85 WeakPolarHBondContact O-CG2 3.25Å; E81-V85 PolarHBondContact O-N 2.92Å
82	S	61.7	Low	66.1	Low	29 Å²	29	113.9 Å²	113.9	20%	0.203	57%	0.565	C	S	.	*	H	α-helix	trans	-65.9	-31	174.7	60.9	0	0	0	0	112.9	R78 K79 K86 E99	R78-S82 WeakPolarHBondContact O-CB 3.05Å; R78-S82 PolarHBondContact O-N 3.25Å; R78-S82 PolarHBondContact O-OG 2.87Å; K79-S82 WeakPolarHBondContact CA-OG 3.32Å; K79-S82 PolarHBondContact O-OG 3.47Å; S82-K86 WeakPolarHBondContact O-CB 3.37Å; S82-K86 WeakPolarHBondContact O-CG 3.45Å; S82-K86 PolarHBondContact O-N 3.47Å; S82-E99 WeakPolarHBondContact CA-OE2 3.47Å; S82-E99 VanDerWaalsContact CB-OE2 3.28Å; S82-E99 WeakPolarHBondContact CB-OE2 3.38Å
83	A	59.4	Low	66.9	Low	56 Å²	56	108.3 Å²	108.3	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-71.1	-34.4	172.1	0	0	0	0	0	112.7	K79 A80 E81	K79-A83 WeakPolarHBondContact O-CB 3.39Å; K79-A83 PolarHBondContact O-N 2.92Å; A80-A83 PolarHBondContact O-N 2.99Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 3.35Å
84	L	57.8	Low	67.7	Low	134 Å²	134	105.9 Å²	105.9	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-71	-38.1	172.9	-78.3	158.1	0	0	0	111.5	A80 E81 K87	A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CD1 3.43Å; A80-L84 WeakPolarHBondContact O-CG 3.33Å; A80-L84 PolarHBondContact O-N 2.97Å; E81-L84 PolarHBondContact O-N 2.9Å; E81-L84 VanDerWaalsContact O-N 3.17Å; L84-K87 PolarHBondContact O-N 3.45Å
85	V	54.6	Low	68.6	Low	40 Å²	40	99.4 Å²	99.4	24%	0.242	53%	0.526	C	S	.	.	H	α-helix	trans	-71.2	-36.7	175.3	173.5	0	0	0	0	111.4	E81 K87 G88 R89 F92	E81-V85 WeakPolarHBondContact O-CB 3.49Å; E81-V85 VanDerWaalsContact O-CG2 3.26Å; E81-V85 WeakPolarHBondContact O-CG2 3.25Å; E81-V85 PolarHBondContact O-N 2.92Å; V85-K87 PolarHBondContact O-N 2.83Å; V85-G88 PolarHBondContact O-N 2.88Å; V85-R89 HydrophobicContact CG1-CB 4.44Å; V85-R89 PolarHBondContact O-N 3.44Å; V85-F92 HydrophobicContact CG1-CE2 4Å; V85-F92 HydrophobicContact CG1-CZ 4Å
86	K	53.2	Low	69.7	Low	177 Å²	177	100.3 Å²	100.3	77%	0.77	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.2	175.4	-84.1	178.1	177.4	-175.3	0	114.1	S82 G88	S82-K86 WeakPolarHBondContact O-CB 3.37Å; S82-K86 WeakPolarHBondContact O-CG 3.45Å; S82-K86 PolarHBondContact O-N 3.47Å; K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 3.4Å
87	K	49.5	Very low	70.7	Confident	197 Å²	197	96.1 Å²	96.1	86%	0.857	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	8.4	179.3	-102.9	-175.6	175.4	-177.1	0	115.2	L84 V85	L84-K87 PolarHBondContact O-N 3.45Å; V85-K87 PolarHBondContact O-N 2.83Å
88	G	49.9	Very low	71.8	Confident	71 Å²	71	92.9 Å²	92.9	73%	0.732	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.8	18.1	174.1	0	0	0	0	0	119	V85 K86	V85-G88 PolarHBondContact O-N 2.88Å; K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 3.4Å
89	R	55.9	Low	72.9	Confident	191 Å²	191	88.7 Å²	88.7	72%	0.721	48%	0.475	S	S	*	.			trans	-126.1	133	177.6	-72.4	-177.3	175.8	173.9	-0.7	110.9	V85	V85-R89 HydrophobicContact CG1-CB 4.44Å; V85-R89 PolarHBondContact O-N 3.44Å
90	G	64.5	Low	73.9	Confident	64 Å²	64	84.9 Å²	84.9	66%	0.66	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-54.5	163.6	-179.6	0	0	0	0	0	113.2	F92	G90-F92 PolarHBondContact O-N 3.46Å
91	L	79.3	Confident	75.2	Confident	143 Å²	143	86.3 Å²	86.3	75%	0.749	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-52.1	130	176	-68.2	161.6	0	0	0	110.2	N93	L91-N93 PolarHBondContact O-N 3.47Å
92	F	87.7	Confident	76.7	Confident	70 Å²	70	81.9 Å²	81.9	31%	0.307	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-73.8	122.8	174.2	-66.2	-87.2	0	0	0	109	V85 G90 D94 G95 D97 E99	V85-F92 HydrophobicContact CG1-CE2 4Å; V85-F92 HydrophobicContact CG1-CZ 4Å; G90-F92 PolarHBondContact O-N 3.46Å; F92-D94 PolarHBondContact O-N 2.86Å; F92-G95 WeakPolarHBondContact O-CA 3.22Å; F92-G95 PolarHBondContact O-N 3.26Å; F92-D97 HydrophobicContact CB-CB 3.96Å; F92-D97 PolarHBondContact O-N 3.48Å; F92-E99 HydrophobicContact CE2-CB 4.34Å
93	N	92.6	Very high	78.3	Confident	28 Å²	28	81.1 Å²	81.1	15%	0.15	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	47.5	55.4	-178.2	-170.3	36.6	0	0	0	111.9	L91 G95 Y96 D97 K187 N188	L91-N93 PolarHBondContact O-N 3.47Å; N93-G95 PolarHBondContact O-N 3.4Å; N93-Y96 WeakPolarHBondContact O-CB 3.36Å; N93-Y96 VanDerWaalsContact O-CD2 3.22Å; N93-Y96 WeakPolarHBondContact O-CD2 3.25Å; N93-Y96 PolarHBondContact O-N 3Å; N93-D97 HydrophobicContact CB-CB 3.84Å; N93-D97 WeakPolarHBondContact CB-OD1 3.5Å; N93-D97 WeakPolarHBondContact CB-OD2 3.36Å; N93-D97 PolarHBondContact ND2-OD1 3.39Å; N93-D97 PolarHBondContact ND2-OD2 2.9Å; N93-K187 PolarHBondContact ND2-O 3Å; N93-N188 PolarHBondContact OD1-ND2 2.78Å
94	D	92.1	Very high	80	Confident	132 Å²	132	81.6 Å²	81.6	71%	0.706	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	55.9	21	-178.6	-52.5	-43.8	0	0	0	115.1	F92 Y96	F92-D94 PolarHBondContact O-N 2.86Å; D94-Y96 HydrophobicContact CB-CD2 4.17Å; D94-Y96 HydrophobicContact CB-CE2 4.21Å
95	G	92.7	Very high	81.7	Confident	24 Å²	24	76.9 Å²	76.9	25%	0.247	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	91.2	6	179	0	0	0	0	0	114.2	F92 N93	F92-G95 WeakPolarHBondContact O-CA 3.22Å; F92-G95 PolarHBondContact O-N 3.26Å; N93-G95 PolarHBondContact O-N 3.4Å
96	Y	94.3	Very high	83.5	Confident	87 Å²	87	82.3 Å²	82.3	34%	0.341	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.4	172.9	-65	-74.9	0	0	0	112.8	N93 D94 Y103 I104 K187	N93-Y96 WeakPolarHBondContact O-CB 3.36Å; N93-Y96 VanDerWaalsContact O-CD2 3.22Å; N93-Y96 WeakPolarHBondContact O-CD2 3.25Å; N93-Y96 PolarHBondContact O-N 3Å; D94-Y96 HydrophobicContact CB-CD2 4.17Å; D94-Y96 HydrophobicContact CB-CE2 4.21Å; Y96-Y103 HydrophobicContact CD1-CE2 4.08Å; Y96-Y103 HydrophobicContact CG-CE2 4.5Å; Y96-I104 WeakPolarHBondContact O-CG1 3.2Å; Y96-I104 PolarHBondContact O-N 2.75Å; Y96-K187 HydrophobicContact CD1-CD 4.32Å; Y96-K187 HydrophobicContact CD1-CG 4.19Å; Y96-K187 HydrophobicContact CD2-CB 4.49Å; Y96-K187 HydrophobicContact CD2-CD 4.1Å; Y96-K187 HydrophobicContact CD2-CG 4.48Å; Y96-K187 HydrophobicContact CE1-CD 4.04Å; Y96-K187 HydrophobicContact CE1-CG 4.3Å; Y96-K187 HydrophobicContact CE2-CD 3.86Å; Y96-K187 HydrophobicContact CG-CB 4.3Å; Y96-K187 HydrophobicContact CG-CD 4.36Å; Y96-K187 HydrophobicContact CG-CG 4.29Å; Y96-K187 PolarHBondContact OH-NZ 3.42Å
97	D	96	Very high	85.5	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.048	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-109	149.9	-175.2	-63.9	12.4	0	0	0	111.8	F92 N93 D102 N148 H189	F92-D97 HydrophobicContact CB-CB 3.96Å; F92-D97 PolarHBondContact O-N 3.48Å; N93-D97 HydrophobicContact CB-CB 3.84Å; N93-D97 WeakPolarHBondContact CB-OD1 3.5Å; N93-D97 WeakPolarHBondContact CB-OD2 3.36Å; N93-D97 PolarHBondContact ND2-OD1 3.39Å; N93-D97 PolarHBondContact ND2-OD2 2.9Å; D97-D102 WeakPolarHBondContact CA-O 3.22Å; D97-N148 VanDerWaalsContact OD2-CB 3.24Å; D97-N148 WeakPolarHBondContact OD2-CB 3.44Å; D97-N148 PolarHBondContact OD2-ND2 2.92Å; D97-H189 IonicContact OD1-CD2 3.62Å; D97-H189 IonicContact OD1-CE1 3.46Å; D97-H189 IonicContact OD1-NE2 2.82Å; D97-H189 PolarHBondContact OD1-NE2 3.24Å; D97-H189 IonicContact OD2-CE1 3.38Å; D97-H189 IonicContact OD2-NE2 2.75Å
98	D	93.4	Very high	87.6	Confident	50 Å²	50	74.3 Å²	74.3	27%	0.267	40%	0.398	S	S	.	.			trans	-83.9	176.5	163.1	79.7	3.2	0	0	0	112.2	N100 F101 D102 I104	D98-N100 PolarHBondContact O-N 3.42Å; D98-N100 VanDerWaalsContact OD1-CA 3.25Å; D98-N100 WeakPolarHBondContact OD1-CA 3.34Å; D98-N100 VanDerWaalsContact OD1-CB 3.32Å; D98-N100 WeakPolarHBondContact OD1-CB 3.33Å; D98-N100 PolarHBondContact OD1-N 2.89Å; D98-F101 PolarHBondContact O-N 2.91Å; D98-F101 VanDerWaalsContact O-N 3.09Å; D98-F101 PolarHBondContact OD1-N 3.37Å; D98-D102 PolarHBondContact N-O 3.46Å; D98-D102 WeakPolarHBondContact OD1-CB 3.25Å; D98-D102 PolarHBondContact OD1-N 2.81Å; D98-I104 HydrophobicContact CB-CG1 4.3Å
99	E	92.8	Very high	89.7	Confident	59 Å²	59	72.8 Å²	72.8	28%	0.276	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.2	178	66.8	-170.8	177.1	0	0	114.3	S82 F92	S82-E99 WeakPolarHBondContact CA-OE2 3.47Å; S82-E99 VanDerWaalsContact CB-OE2 3.28Å; S82-E99 WeakPolarHBondContact CB-OE2 3.38Å; F92-E99 HydrophobicContact CE2-CB 4.34Å
100	N	92.8	Very high	91.5	Very high	65 Å²	65	68.2 Å²	68.2	35%	0.348	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	12.6	179.5	-57.4	-70.5	0	0	0	112.8	D98 D102 K147	D98-N100 PolarHBondContact O-N 3.42Å; D98-N100 VanDerWaalsContact OD1-CA 3.25Å; D98-N100 WeakPolarHBondContact OD1-CA 3.34Å; D98-N100 VanDerWaalsContact OD1-CB 3.32Å; D98-N100 WeakPolarHBondContact OD1-CB 3.33Å; D98-N100 PolarHBondContact OD1-N 2.89Å; N100-D102 PolarHBondContact O-N 2.72Å; N100-K147 PolarHBondContact O-NZ 3.06Å
101	F	94.8	Very high	92.9	Very high	77 Å²	77	65.2 Å²	65.2	34%	0.338	33%	0.329	S	S	.	.	S	Bend	trans	63.3	20.2	-177.1	-42.7	-81.9	0	0	0	113.1	D98 K147 N148 K149 H189	D98-F101 PolarHBondContact O-N 2.91Å; D98-F101 VanDerWaalsContact O-N 3.09Å; D98-F101 PolarHBondContact OD1-N 3.37Å; F101-K147 HydrophobicContact CB-CB 4.36Å; F101-K147 CarbonylContact O-C 3.56Å; F101-K147 VanDerWaalsContact O-CA 3.24Å; F101-K147 WeakPolarHBondContact O-CA 3.25Å; F101-N148 PolarHBondContact O-N 3.32Å; F101-K149 HydrophobicContact CD2-CD 4.22Å; F101-K149 HydrophobicContact CE2-CD 4.2Å; F101-H189 PolarHBondContact O-CE1 3.38Å
102	D	96.1	Very high	93.6	Very high	16 Å²	16	62.6 Å²	62.6	9%	0.086	32%	0.315	C	S	.	.			trans	-89.3	137.6	175.2	-73.1	-56	0	0	0	109.9	D97 D98 N100 I104 G127 K147	D97-D102 WeakPolarHBondContact CA-O 3.22Å; D98-D102 PolarHBondContact N-O 3.46Å; D98-D102 WeakPolarHBondContact OD1-CB 3.25Å; D98-D102 PolarHBondContact OD1-N 2.81Å; N100-D102 PolarHBondContact O-N 2.72Å; D102-I104 PolarHBondContact O-N 2.83Å; D102-G127 VanDerWaalsContact OD1-CA 3.31Å; D102-G127 WeakPolarHBondContact OD1-CA 3.38Å; D102-K147 WeakPolarHBondContact OD1-CE 3.22Å; D102-K147 VanDerWaalsContact OD1-CG 3.24Å; D102-K147 WeakPolarHBondContact OD1-CG 3.44Å; D102-K147 IonicContact OD1-NZ 3.54Å; D102-K147 PolarHBondContact OD1-NZ 3.49Å; D102-K147 IonicContact OD2-NZ 2.71Å; D102-K147 PolarHBondContact OD2-NZ 3.42Å
103	Y	95.9	Very high	93.9	Very high	13 Å²	13	65.7 Å²	65.7	5%	0.051	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-61.1	132.2	171.9	-177.6	-105.8	0	0	0	110.3	Y96 I105 D109 Q128 V145 W186 K187 H189	Y96-Y103 HydrophobicContact CD1-CE2 4.08Å; Y96-Y103 HydrophobicContact CG-CE2 4.5Å; Y103-I105 VanDerWaalsContact C-N 3.31Å; Y103-I105 HydrophobicContact CD1-CG1 3.79Å; Y103-I105 HydrophobicContact CE1-CG1 4.46Å; Y103-I105 PolarHBondContact O-N 3.15Å; Y103-D109 PolarHBondContact OH-OD2 2.99Å; Y103-Q128 PolarHBondContact O-NE2 2.85Å; Y103-V145 HydrophobicContact CG-CG1 4.35Å; Y103-W186 AromaticContact CE2-NE1 3.96Å; Y103-W186 AromaticContact CZ-NE1 3.83Å; Y103-K187 HydrophobicContact CE2-CB 4.36Å; Y103-K187 HydrophobicContact CE2-CG 4.4Å; Y103-H189 AromaticContact CD2-CD2 3.8Å; Y103-H189 AromaticContact CD2-NE2 3.93Å; Y103-H189 PolarHBondContact N-CE1 2.98Å; Y103-H189 VanDerWaalsContact N-CE1 3.29Å
104	I	95.1	Very high	94.1	Very high	67 Å²	67	67.1 Å²	67.1	34%	0.344	34%	0.338	S	S	.	.			trans	-75.5	86.8	176.6	-59.2	171.3	0	0	0	108.6	Y96 D98 D102 R106	Y96-I104 WeakPolarHBondContact O-CG1 3.2Å; Y96-I104 PolarHBondContact O-N 2.75Å; D98-I104 HydrophobicContact CB-CG1 4.3Å; D102-I104 PolarHBondContact O-N 2.83Å; I104-R106 PolarHBondContact O-N 2.79Å
105	I	92.2	Very high	94.4	Very high	35 Å²	35	61 Å²	61	18%	0.179	31%	0.305	C	S	.	.			trans	-63.7	122.9	177.6	-67.9	171.8	0	0	0	110.1	Y103 I117 L120 Q128 A130	Y103-I105 VanDerWaalsContact C-N 3.31Å; Y103-I105 HydrophobicContact CD1-CG1 3.79Å; Y103-I105 HydrophobicContact CE1-CG1 4.46Å; Y103-I105 PolarHBondContact O-N 3.15Å; I105-I117 HydrophobicContact CG2-CD1 4.14Å; I105-I117 HydrophobicContact CG2-CG2 3.69Å; I105-L120 HydrophobicContact CD1-CD1 3.76Å; I105-Q128 HydrophobicContact CD1-CB 3.61Å; I105-Q128 HydrophobicContact CD1-CG 4.34Å; I105-A130 HydrophobicContact CD1-CB 4.29Å
106	R	93.2	Very high	94.6	Very high	154 Å²	154	62.1 Å²	62.1	58%	0.581	31%	0.307	S	S	*	.			trans	-115.6	140	170.5	-47.8	175.4	-179.1	-162.4	0.2	110	I104 G108 D109 I117	I104-R106 PolarHBondContact O-N 2.79Å; R106-G108 PolarHBondContact O-N 3.43Å; R106-D109 PolarHBondContact N-OD2 2.94Å; R106-D109 WeakPolarHBondContact O-CB 3.39Å; R106-D109 PolarHBondContact O-N 2.86Å; R106-I117 WeakPolarHBondContact O-CG2 3.43Å
107	Q	94.6	Very high	94.7	Very high	159 Å²	159	58 Å²	58	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	132.9	173.9	178.4	169.7	26.5	0	0	109.4	D118	Q107-D118 VanDerWaalsContact CG-O 3.27Å; Q107-D118 WeakPolarHBondContact CG-O 3.38Å; Q107-D118 PolarHBondContact NE2-O 2.96Å
108	G	94.5	Very high	94.8	Very high	47 Å²	47	59.5 Å²	59.5	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-6.4	-175.5	0	0	0	0	0	114.9	R106 Q110 I117	R106-G108 PolarHBondContact O-N 3.43Å; G108-Q110 PolarHBondContact O-N 2.81Å; G108-I117 PolarHBondContact N-O 3.48Å
109	D	92.7	Very high	94.9	Very high	39 Å²	39	59 Å²	59	21%	0.209	30%	0.3	C	S	.	.			trans	-57.5	133.7	173.8	-83.7	-8.2	0	0	0	110.4	Y103 R106 L111 V116 I117	Y103-D109 PolarHBondContact OH-OD2 2.99Å; R106-D109 PolarHBondContact N-OD2 2.94Å; R106-D109 WeakPolarHBondContact O-CB 3.39Å; R106-D109 PolarHBondContact O-N 2.86Å; D109-L111 HydrophobicContact CB-CD1 4.22Å; D109-V116 CarbonylContact O-C 3.6Å; D109-V116 WeakPolarHBondContact O-CA 3.49Å; D109-I117 HydrophobicContact CB-CB 4.3Å; D109-I117 HydrophobicContact CB-CD1 3.99Å; D109-I117 HydrophobicContact CB-CG1 4.23Å; D109-I117 PolarHBondContact O-N 2.88Å
110	Q	94.2	Very high	95	Very high	95 Å²	95	59.9 Å²	59.9	44%	0.444	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.1	177.2	-169	174	-0.2	0	0	110.1	G108 D113 Y115 V116	G108-Q110 PolarHBondContact O-N 2.81Å; Q110-D113 VanDerWaalsContact NE2-CA 3.35Å; Q110-D113 PolarHBondContact NE2-O 2.91Å; Q110-Y115 CarbonylContact C-O 3.55Å; Q110-Y115 WeakPolarHBondContact CA-O 3.48Å; Q110-V116 HydrophobicContact CG-CG2 4.14Å
111	L	94.6	Very high	95	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.4	178.2	-81.1	61.6	0	0	0	109.6	D109 D113 R114 Y115 I117 L143 F184 W186	D109-L111 HydrophobicContact CB-CD1 4.22Å; L111-D113 PolarHBondContact O-N 2.92Å; L111-R114 PolarHBondContact O-N 3.18Å; L111-Y115 PolarHBondContact N-O 2.98Å; L111-Y115 PolarHBondContact O-N 3.44Å; L111-I117 HydrophobicContact CD1-CD1 3.8Å; L111-I117 HydrophobicContact CD1-CG1 4.1Å; L111-L143 HydrophobicContact CD2-CD2 3.63Å; L111-F184 HydrophobicContact CB-CE2 4.47Å; L111-F184 HydrophobicContact CD2-CE2 4.19Å; L111-F184 HydrophobicContact CD2-CZ 4.28Å; L111-W186 HydrophobicContact CB-CD2 4.34Å; L111-W186 HydrophobicContact CD2-CB 4.49Å; L111-W186 HydrophobicContact CD2-CG 4.03Å; L111-W186 HydrophobicContact CG-CD2 3.9Å; L111-W186 HydrophobicContact CG-CG 3.92Å; L111-W186 HydrophobicContact CG-CZ2 4.27Å
112	L	94	Very high	94.7	Very high	87 Å²	87	58.4 Å²	58.4	46%	0.455	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	33.2	-179.6	-60.3	175.5	0	0	0	113.9	R114 F184 W186	L112-R114 PolarHBondContact O-N 3.16Å; L112-F184 HydrophobicContact CD1-CB 4.01Å; L112-F184 HydrophobicContact CD1-CD1 4.11Å; L112-F184 HydrophobicContact CD1-CD2 3.48Å; L112-F184 VanDerWaalsContact CD1-CD2 3.48Å; L112-F184 HydrophobicContact CD1-CE1 4.46Å; L112-F184 HydrophobicContact CD1-CE2 3.88Å; L112-F184 HydrophobicContact CD1-CG 3.6Å; L112-F184 HydrophobicContact CD1-CZ 4.36Å; L112-F184 HydrophobicContact CG-CD2 4.21Å; L112-F184 HydrophobicContact CG-CE2 4.31Å; L112-W186 HydrophobicContact CD2-CE3 3.87Å; L112-W186 HydrophobicContact CD2-CZ3 3.93Å; L112-W186 HydrophobicContact CG-CE3 4.06Å; L112-W186 HydrophobicContact CG-CZ3 4.27Å
113	D	93	Very high	94.4	Very high	136 Å²	136	64.3 Å²	64.3	73%	0.727	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	18.1	-173.6	-58.2	-41.4	0	0	0	114.6	Q110 L111	Q110-D113 VanDerWaalsContact NE2-CA 3.35Å; Q110-D113 PolarHBondContact NE2-O 2.91Å; L111-D113 PolarHBondContact O-N 2.92Å
114	R	97	Very high	94	Very high	58 Å²	58	65.2 Å²	65.2	22%	0.219	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-51.6	-171.3	179.1	175.6	174.7	-173.2	-5.5	112.9	L111 L112 D134 S135 K136	L111-R114 PolarHBondContact O-N 3.18Å; L112-R114 PolarHBondContact O-N 3.16Å; R114-D134 WeakPolarHBondContact CG-OD1 3.32Å; R114-D134 IonicContact CZ-OD1 3.53Å; R114-D134 IonicContact CZ-OD2 3.8Å; R114-D134 IonicContact NE-OD1 3.93Å; R114-D134 PolarHBondContact NE-OD1 3.37Å; R114-D134 IonicContact NE-OD2 3.7Å; R114-D134 PolarHBondContact NE-OD2 3.21Å; R114-D134 IonicContact NH2-OD1 2.69Å; R114-D134 IonicContact NH2-OD2 3.81Å; R114-D134 PolarHBondContact NH2-OD2 2.81Å; R114-S135 VanDerWaalsContact O-CB 3.25Å; R114-S135 WeakPolarHBondContact O-CB 3.41Å; R114-S135 PolarHBondContact O-N 3.05Å; R114-S135 PolarHBondContact O-OG 3.38Å; R114-K136 HydrophobicContact CG-CB 4.25Å
115	Y	97.8	Very high	93.6	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.008	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.1	-172.9	-55.9	-73.7	0	0	0	110.1	Q110 L111 Y133 D134 V141 S182 F184 V193	Q110-Y115 CarbonylContact C-O 3.55Å; Q110-Y115 WeakPolarHBondContact CA-O 3.48Å; L111-Y115 PolarHBondContact N-O 2.98Å; L111-Y115 PolarHBondContact O-N 3.44Å; Y115-Y133 WeakPolarHBondContact CA-O 3.47Å; Y115-D134 HydrophobicContact CD1-CB 3.95Å; Y115-D134 HydrophobicContact CE1-CB 3.86Å; Y115-V141 HydrophobicContact CD1-CG2 4.06Å; Y115-V141 HydrophobicContact CE1-CG2 4.35Å; Y115-S182 PolarHBondContact OH-OG 2.82Å; Y115-F184 AromaticContact CD2-CE1 3.7Å; Y115-F184 HydrophobicContact CD2-CE1 3.7Å; Y115-F184 AromaticContact CD2-CZ 3.69Å; Y115-F184 HydrophobicContact CD2-CZ 3.69Å; Y115-F184 HydrophobicContact CE2-CD1 4.09Å; Y115-F184 AromaticContact CE2-CE1 3.29Å; Y115-F184 HydrophobicContact CE2-CE1 3.29Å; Y115-F184 AromaticContact CE2-CZ 3.79Å; Y115-F184 HydrophobicContact CE2-CZ 3.79Å; Y115-V193 HydrophobicContact CE1-CG1 3.91Å; Y115-V193 HydrophobicContact CE1-CG2 4.09Å; Y115-V193 HydrophobicContact CE2-CG2 4.17Å
116	V	97.7	Very high	93.5	Very high	48 Å²	48	67 Å²	67	29%	0.291	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.8	177	-177.3	0	0	0	0	109	D109 Q110 D118 A132 Y133	D109-V116 CarbonylContact O-C 3.6Å; D109-V116 WeakPolarHBondContact O-CA 3.49Å; Q110-V116 HydrophobicContact CG-CG2 4.14Å; V116-D118 PolarHBondContact O-N 2.85Å; V116-A132 CarbonylContact O-C 3.58Å; V116-A132 WeakPolarHBondContact O-CA 3.37Å; V116-A132 WeakPolarHBondContact O-CB 3.27Å; V116-Y133 PolarHBondContact N-O 3.21Å; V116-Y133 PolarHBondContact O-N 2.81Å
117	I	97.2	Very high	93.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123	-179.8	-64.8	-171.2	0	0	0	109.8	I105 R106 G108 D109 L111 A130	I105-I117 HydrophobicContact CG2-CD1 4.14Å; I105-I117 HydrophobicContact CG2-CG2 3.69Å; R106-I117 WeakPolarHBondContact O-CG2 3.43Å; G108-I117 PolarHBondContact N-O 3.48Å; D109-I117 HydrophobicContact CB-CB 4.3Å; D109-I117 HydrophobicContact CB-CD1 3.99Å; D109-I117 HydrophobicContact CB-CG1 4.23Å; D109-I117 PolarHBondContact O-N 2.88Å; L111-I117 HydrophobicContact CD1-CD1 3.8Å; L111-I117 HydrophobicContact CD1-CG1 4.1Å; I117-A130 HydrophobicContact CG2-CB 4.24Å
118	D	96.7	Very high	93.5	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.214	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-58.3	176.6	172.9	61.1	0	0	0	110.8	Q107 V116 K131 Y140	Q107-D118 VanDerWaalsContact CG-O 3.27Å; Q107-D118 WeakPolarHBondContact CG-O 3.38Å; Q107-D118 PolarHBondContact NE2-O 2.96Å; V116-D118 PolarHBondContact O-N 2.85Å; D118-K131 HydrophobicContact CB-CG 4.29Å; D118-K131 WeakPolarHBondContact CB-O 3.43Å; D118-K131 PolarHBondContact N-O 3.49Å; D118-K131 WeakPolarHBondContact OD2-CD 3.33Å; D118-K131 WeakPolarHBondContact OD2-CE 3.31Å; D118-K131 IonicContact OD2-NZ 2.81Å; D118-K131 PolarHBondContact OD2-NZ 3.28Å; D118-Y140 HydrophobicContact CB-CE1 4.32Å
119	S	95.9	Very high	93.6	Very high	40 Å²	40	51.4 Å²	51.4	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154	-173.5	51.3	0	0	0	0	112	A130 K131	S119-A130 CarbonylContact O-C 3.58Å; S119-A130 VanDerWaalsContact O-CA 3.25Å; S119-A130 WeakPolarHBondContact O-CA 3.4Å; S119-K131 PolarHBondContact N-O 3.26Å; S119-K131 PolarHBondContact O-N 2.9Å
120	L	94.4	Very high	93.8	Very high	76 Å²	76	49.6 Å²	49.6	40%	0.398	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.2	170.9	177.5	85.5	0	0	0	109.7	I105 G122 K123 Q128	I105-L120 HydrophobicContact CD1-CD1 3.76Å; L120-G122 WeakPolarHBondContact CD1-O 3.38Å; L120-K123 HydrophobicContact CD1-CG 4.17Å; L120-K123 HydrophobicContact CD2-CD 4.07Å; L120-K123 HydrophobicContact CD2-CG 3.88Å; L120-K123 HydrophobicContact CG-CG 4.41Å; L120-Q128 HydrophobicContact CD1-CB 3.9Å; L120-Q128 HydrophobicContact CD1-CG 4.27Å
121	I	93.1	Very high	94	Very high	87 Å²	87	47.2 Å²	47.2	45%	0.446	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-16	-178.3	60.9	174.6	0	0	0	113.9	V129 K131 A142 L196	I121-V129 HydrophobicContact CD1-CG1 3.86Å; I121-V129 HydrophobicContact CG1-CB 4.1Å; I121-V129 HydrophobicContact CG1-CG1 3.78Å; I121-V129 WeakPolarHBondContact CG1-O 3.42Å; I121-V129 PolarHBondContact N-O 3.38Å; I121-K131 HydrophobicContact CD1-CB 4.36Å; I121-K131 HydrophobicContact CG2-CB 3.71Å; I121-A142 HydrophobicContact CD1-CB 4.15Å; I121-L196 HydrophobicContact CD1-CD1 3.89Å
122	G	89.2	Confident	94.2	Very high	24 Å²	24	47.1 Å²	47.1	25%	0.247	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	152.9	178.1	0	0	0	0	0	113.5	L120 V129	L120-G122 WeakPolarHBondContact CD1-O 3.38Å; G122-V129 PolarHBondContact N-O 2.75Å; G122-V129 PolarHBondContact O-N 2.75Å
123	K	90	Very high	94.4	Very high	141 Å²	141	46.6 Å²	46.6	61%	0.613	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	141.4	168	-58.7	-158.1	-177.7	-151.5	0	109.2	L120 Q128	L120-K123 HydrophobicContact CD1-CG 4.17Å; L120-K123 HydrophobicContact CD2-CD 4.07Å; L120-K123 HydrophobicContact CD2-CG 3.88Å; L120-K123 HydrophobicContact CG-CG 4.41Å; K123-Q128 HydrophobicContact CD-CG 4.24Å; K123-Q128 HydrophobicContact CG-CG 4.11Å
124	G	86.8	Confident	94.6	Very high	31 Å²	31	40.1 Å²	40.1	32%	0.32	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-175.7	-179.2	0	0	0	0	0	112.3	F126 G127	G124-F126 PolarHBondContact O-N 3.27Å; G124-G127 PolarHBondContact N-O 2.82Å; G124-G127 PolarHBondContact O-N 2.94Å
125	S	86.7	Confident	94.6	Very high	96 Å²	96	39 Å²	39	67%	0.671	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.3	174.6	52.6	0	0	0	0	112.2	G127 K147 F152	S125-G127 VanDerWaalsContact C-N 3.31Å; S125-G127 PolarHBondContact O-N 3.4Å; S125-K147 WeakPolarHBondContact O-CD 3.35Å; S125-K147 WeakPolarHBondContact O-CE 3.45Å; S125-F152 WeakPolarHBondContact O-CE1 3.4Å; S125-F152 WeakPolarHBondContact O-CZ 3.24Å
126	F	89.3	Confident	94.5	Very high	43 Å²	43	45.8 Å²	45.8	19%	0.189	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.7	178.9	60.6	-101.1	0	0	0	113.7	G124 V129 K144 I146 K147	G124-F126 PolarHBondContact O-N 3.27Å; F126-V129 HydrophobicContact CE2-CG2 3.65Å; F126-V129 HydrophobicContact CZ-CG2 3.68Å; F126-K144 HydrophobicContact CD2-CD 4.16Å; F126-K144 HydrophobicContact CD2-CG 3.85Å; F126-K144 HydrophobicContact CE2-CD 4.14Å; F126-K144 HydrophobicContact CE2-CG 3.67Å; F126-K144 VanDerWaalsContact CG-CE 3.5Å; F126-I146 HydrophobicContact CB-CD1 4.41Å; F126-I146 HydrophobicContact CD2-CD1 4.41Å; F126-I146 WeakPolarHBondContact O-CA 3.37Å; F126-K147 PolarHBondContact O-N 3.47Å
127	G	93.5	Very high	94.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.8	-132.5	-171.8	0	0	0	0	0	112.8	D102 G124 S125	D102-G127 VanDerWaalsContact OD1-CA 3.31Å; D102-G127 WeakPolarHBondContact OD1-CA 3.38Å; G124-G127 PolarHBondContact N-O 2.82Å; G124-G127 PolarHBondContact O-N 2.94Å; S125-G127 VanDerWaalsContact C-N 3.31Å; S125-G127 PolarHBondContact O-N 3.4Å
128	Q	95.3	Very high	94.4	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.1	-172.1	-63	-178.6	105	0	0	111.7	Y103 I105 L120 K123 K144 V145	Y103-Q128 PolarHBondContact O-NE2 2.85Å; I105-Q128 HydrophobicContact CD1-CB 3.61Å; I105-Q128 HydrophobicContact CD1-CG 4.34Å; L120-Q128 HydrophobicContact CD1-CB 3.9Å; L120-Q128 HydrophobicContact CD1-CG 4.27Å; K123-Q128 HydrophobicContact CD-CG 4.24Å; K123-Q128 HydrophobicContact CG-CG 4.11Å; Q128-K144 CarbonylContact O-C 3.46Å; Q128-K144 WeakPolarHBondContact O-CA 3.27Å; Q128-V145 PolarHBondContact N-O 2.96Å; Q128-V145 PolarHBondContact O-N 3.07Å
129	V	96.3	Very high	94.4	Very high	25 Å²	25	55.3 Å²	55.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.7	172.1	-169.7	0	0	0	0	108.5	I121 G122 F126 A142 L143 K144	I121-V129 HydrophobicContact CD1-CG1 3.86Å; I121-V129 HydrophobicContact CG1-CB 4.1Å; I121-V129 HydrophobicContact CG1-CG1 3.78Å; I121-V129 WeakPolarHBondContact CG1-O 3.42Å; I121-V129 PolarHBondContact N-O 3.38Å; G122-V129 PolarHBondContact N-O 2.75Å; G122-V129 PolarHBondContact O-N 2.75Å; F126-V129 HydrophobicContact CE2-CG2 3.65Å; F126-V129 HydrophobicContact CZ-CG2 3.68Å; V129-A142 HydrophobicContact CG1-CB 4.14Å; V129-L143 CarbonylContact C-O 3.6Å; V129-L143 VanDerWaalsContact CA-O 3.29Å; V129-L143 WeakPolarHBondContact CA-O 3.48Å; V129-K144 HydrophobicContact CG2-CB 4.32Å; V129-K144 HydrophobicContact CG2-CG 4.2Å
130	A	97.2	Very high	94.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.6	174.4	0	0	0	0	0	111.1	I105 I117 S119 A142 L143	I105-A130 HydrophobicContact CD1-CB 4.29Å; I117-A130 HydrophobicContact CG2-CB 4.24Å; S119-A130 CarbonylContact O-C 3.58Å; S119-A130 VanDerWaalsContact O-CA 3.25Å; S119-A130 WeakPolarHBondContact O-CA 3.4Å; A130-A142 CarbonylContact O-C 3.51Å; A130-A142 WeakPolarHBondContact O-CA 3.32Å; A130-L143 PolarHBondContact N-O 2.65Å; A130-L143 PolarHBondContact O-N 2.75Å
131	K	97.8	Very high	94.7	Very high	45 Å²	45	55 Å²	55	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.4	158.3	177.9	175	166.7	-128.7	0	107.4	D118 S119 I121 Y140 V141 L196	D118-K131 HydrophobicContact CB-CG 4.29Å; D118-K131 WeakPolarHBondContact CB-O 3.43Å; D118-K131 PolarHBondContact N-O 3.49Å; D118-K131 WeakPolarHBondContact OD2-CD 3.33Å; D118-K131 WeakPolarHBondContact OD2-CE 3.31Å; D118-K131 IonicContact OD2-NZ 2.81Å; D118-K131 PolarHBondContact OD2-NZ 3.28Å; S119-K131 PolarHBondContact N-O 3.26Å; S119-K131 PolarHBondContact O-N 2.9Å; I121-K131 HydrophobicContact CD1-CB 4.36Å; I121-K131 HydrophobicContact CG2-CB 3.71Å; K131-Y140 HydrophobicContact CD-CD1 4.29Å; K131-Y140 VanDerWaalsContact CE-CD1 3.41Å; K131-Y140 HydrophobicContact CG-CD1 3.91Å; K131-V141 WeakPolarHBondContact CA-O 3.39Å; K131-L196 HydrophobicContact CD-CD2 4.07Å; K131-L196 HydrophobicContact CG-CD1 4.48Å; K131-L196 HydrophobicContact CG-CD2 4.18Å
132	A	98.2	Very high	94.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.4	177.2	0	0	0	0	0	110.2	V116 Y140 V141 L143	V116-A132 CarbonylContact O-C 3.58Å; V116-A132 WeakPolarHBondContact O-CA 3.37Å; V116-A132 WeakPolarHBondContact O-CB 3.27Å; A132-Y140 CarbonylContact O-C 3.53Å; A132-Y140 WeakPolarHBondContact O-CA 3.31Å; A132-V141 HydrophobicContact CB-CG2 4.16Å; A132-V141 PolarHBondContact N-O 3.04Å; A132-V141 WeakPolarHBondContact O-CG2 3.26Å; A132-V141 PolarHBondContact O-N 3.2Å; A132-L143 HydrophobicContact CB-CB 4.4Å
133	Y	98.3	Very high	95.3	Very high	76 Å²	76	50.2 Å²	50.2	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	172.4	-172.9	-104	0	0	0	109.8	Y115 V116 S135 K138 Y140	Y115-Y133 WeakPolarHBondContact CA-O 3.47Å; V116-Y133 PolarHBondContact N-O 3.21Å; V116-Y133 PolarHBondContact O-N 2.81Å; Y133-S135 PolarHBondContact O-N 2.73Å; Y133-K138 WeakPolarHBondContact OH-CA 3.41Å; Y133-Y140 HydrophobicContact CD2-CD1 4.15Å; Y133-Y140 HydrophobicContact CD2-CD2 4.27Å; Y133-Y140 HydrophobicContact CD2-CE1 4.09Å; Y133-Y140 HydrophobicContact CD2-CE2 4.19Å; Y133-Y140 HydrophobicContact CD2-CG 4.26Å
134	D	98.1	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	106.4	173.5	-177	-12.9	0	0	0	109.5	R114 Y115 K136 E137 K138 C139 V141	R114-D134 WeakPolarHBondContact CG-OD1 3.32Å; R114-D134 IonicContact CZ-OD1 3.53Å; R114-D134 IonicContact CZ-OD2 3.8Å; R114-D134 IonicContact NE-OD1 3.93Å; R114-D134 PolarHBondContact NE-OD1 3.37Å; R114-D134 IonicContact NE-OD2 3.7Å; R114-D134 PolarHBondContact NE-OD2 3.21Å; R114-D134 IonicContact NH2-OD1 2.69Å; R114-D134 IonicContact NH2-OD2 3.81Å; R114-D134 PolarHBondContact NH2-OD2 2.81Å; Y115-D134 HydrophobicContact CD1-CB 3.95Å; Y115-D134 HydrophobicContact CE1-CB 3.86Å; D134-K136 PolarHBondContact O-N 2.98Å; D134-K136 WeakPolarHBondContact OD1-CB 3.32Å; D134-K136 PolarHBondContact OD1-N 3.47Å; D134-E137 HydrophobicContact CB-CB 4.35Å; D134-E137 PolarHBondContact O-N 3.42Å; D134-E137 PolarHBondContact OD1-N 2.81Å; D134-E137 VanDerWaalsContact OD2-CG 3.25Å; D134-E137 WeakPolarHBondContact OD2-CG 3.18Å; D134-K138 WeakPolarHBondContact O-CA 3.29Å; D134-K138 PolarHBondContact O-N 2.64Å; D134-C139 PolarHBondContact N-O 3.39Å; D134-C139 PolarHBondContact O-N 2.92Å; D134-V141 HydrophobicContact CB-CG1 4.04Å; D134-V141 HydrophobicContact CB-CG2 4.31Å
135	S	96.3	Very high	96.2	Very high	35 Å²	35	42.6 Å²	42.6	25%	0.245	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.2	-177.8	-57.9	0	0	0	0	113.7	R114 Y133 K138	R114-S135 VanDerWaalsContact O-CB 3.25Å; R114-S135 WeakPolarHBondContact O-CB 3.41Å; R114-S135 PolarHBondContact O-N 3.05Å; R114-S135 PolarHBondContact O-OG 3.38Å; Y133-S135 PolarHBondContact O-N 2.73Å; S135-K138 WeakPolarHBondContact O-CD 3.23Å; S135-K138 WeakPolarHBondContact O-CE 3.3Å; S135-K138 PolarHBondContact O-NZ 3.35Å
136	K	96.2	Very high	96.7	Very high	143 Å²	143	38.1 Å²	38.1	62%	0.622	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-51.1	176.4	-175.2	-176.7	177.8	-179.3	0	111	R114 D134 K138	R114-K136 HydrophobicContact CG-CB 4.25Å; D134-K136 PolarHBondContact O-N 2.98Å; D134-K136 WeakPolarHBondContact OD1-CB 3.32Å; D134-K136 PolarHBondContact OD1-N 3.47Å; K136-K138 VanDerWaalsContact C-N 3.34Å
137	E	95.7	Very high	97.1	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.491	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.6	-177.3	-60.5	-65.6	142.2	0	0	113.4	D134 C139	D134-E137 HydrophobicContact CB-CB 4.35Å; D134-E137 PolarHBondContact O-N 3.42Å; D134-E137 PolarHBondContact OD1-N 2.81Å; D134-E137 VanDerWaalsContact OD2-CG 3.25Å; D134-E137 WeakPolarHBondContact OD2-CG 3.18Å; E137-C139 VanDerWaalsContact C-N 3.27Å; E137-C139 PolarHBondContact O-N 2.93Å
138	K	96.7	Very high	97.2	Very high	143 Å²	143	39.6 Å²	39.6	62%	0.622	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.8	178.9	-54.7	-59.5	-175.2	-165.5	0	113.5	Y133 D134 S135 K136	Y133-K138 WeakPolarHBondContact OH-CA 3.41Å; D134-K138 WeakPolarHBondContact O-CA 3.29Å; D134-K138 PolarHBondContact O-N 2.64Å; S135-K138 WeakPolarHBondContact O-CD 3.23Å; S135-K138 WeakPolarHBondContact O-CE 3.3Å; S135-K138 PolarHBondContact O-NZ 3.35Å; K136-K138 VanDerWaalsContact C-N 3.34Å
139	C	97	Very high	97.2	Very high	42 Å²	42	44.1 Å²	44.1	28%	0.284	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.5	179.4	59.9	0	0	0	0	112	D134 E137 K181	D134-C139 PolarHBondContact N-O 3.39Å; D134-C139 PolarHBondContact O-N 2.92Å; E137-C139 VanDerWaalsContact C-N 3.27Å; E137-C139 PolarHBondContact O-N 2.93Å; C139-K181 PolarHBondContact SG-NZ 2.76Å
140	Y	97.9	Very high	97	Very high	109 Å²	109	50.3 Å²	50.3	43%	0.427	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	143	171.3	-72.3	-79.1	0	0	0	111.6	D118 K131 A132 Y133	D118-Y140 HydrophobicContact CB-CE1 4.32Å; K131-Y140 HydrophobicContact CD-CD1 4.29Å; K131-Y140 VanDerWaalsContact CE-CD1 3.41Å; K131-Y140 HydrophobicContact CG-CD1 3.91Å; A132-Y140 CarbonylContact O-C 3.53Å; A132-Y140 WeakPolarHBondContact O-CA 3.31Å; Y133-Y140 HydrophobicContact CD2-CD1 4.15Å; Y133-Y140 HydrophobicContact CD2-CD2 4.27Å; Y133-Y140 HydrophobicContact CD2-CE1 4.09Å; Y133-Y140 HydrophobicContact CD2-CE2 4.19Å; Y133-Y140 HydrophobicContact CD2-CG 4.26Å
141	V	98.2	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.6	-179.6	-65.5	0	0	0	0	110.4	Y115 K131 A132 D134 K181 V193 F194	Y115-V141 HydrophobicContact CD1-CG2 4.06Å; Y115-V141 HydrophobicContact CE1-CG2 4.35Å; K131-V141 WeakPolarHBondContact CA-O 3.39Å; A132-V141 HydrophobicContact CB-CG2 4.16Å; A132-V141 PolarHBondContact N-O 3.04Å; A132-V141 WeakPolarHBondContact O-CG2 3.26Å; A132-V141 PolarHBondContact O-N 3.2Å; D134-V141 HydrophobicContact CB-CG1 4.04Å; D134-V141 HydrophobicContact CB-CG2 4.31Å; V141-K181 HydrophobicContact CG1-CD 3.94Å; V141-V193 HydrophobicContact CB-CG1 3.77Å; V141-V193 HydrophobicContact CG1-CG1 3.98Å; V141-V193 HydrophobicContact CG2-CG1 3.84Å; V141-F194 WeakPolarHBondContact CA-O 3.18Å; V141-F194 WeakPolarHBondContact CB-O 3.22Å
142	A	98.2	Very high	96.6	Very high	11 Å²	11	55.2 Å²	55.2	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.6	168.1	0	0	0	0	0	109.3	I121 V129 A130 F194 L196	I121-A142 HydrophobicContact CD1-CB 4.15Å; V129-A142 HydrophobicContact CG1-CB 4.14Å; A130-A142 CarbonylContact O-C 3.51Å; A130-A142 WeakPolarHBondContact O-CA 3.32Å; A142-F194 HydrophobicContact CB-CB 4.28Å; A142-F194 PolarHBondContact N-O 3.48Å; A142-F194 PolarHBondContact O-N 2.92Å; A142-L196 HydrophobicContact CB-CD1 4.13Å
143	L	97.7	Very high	96.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	105.2	-179	-177.9	73.5	0	0	0	109.6	L111 V129 A130 A132 V145 F184 C191 L192 V193	L111-L143 HydrophobicContact CD2-CD2 3.63Å; V129-L143 CarbonylContact C-O 3.6Å; V129-L143 VanDerWaalsContact CA-O 3.29Å; V129-L143 WeakPolarHBondContact CA-O 3.48Å; A130-L143 PolarHBondContact N-O 2.65Å; A130-L143 PolarHBondContact O-N 2.75Å; A132-L143 HydrophobicContact CB-CB 4.4Å; L143-V145 HydrophobicContact CD2-CG2 4Å; L143-V145 HydrophobicContact CG-CG2 4.01Å; L143-F184 HydrophobicContact CD1-CE1 4.18Å; L143-F184 HydrophobicContact CD1-CZ 3.89Å; L143-C191 HydrophobicContact CD1-CB 4.01Å; L143-L192 CarbonylContact C-O 3.5Å; L143-L192 WeakPolarHBondContact CA-O 3.33Å; L143-V193 HydrophobicContact CD1-CG2 3.83Å
144	K	97.5	Very high	96.1	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.8	174.5	-172.8	-177.8	-168.3	-178.5	0	108.7	F126 Q128 V129 I146 E159 C191 L192 F194 D263	F126-K144 HydrophobicContact CD2-CD 4.16Å; F126-K144 HydrophobicContact CD2-CG 3.85Å; F126-K144 HydrophobicContact CE2-CD 4.14Å; F126-K144 HydrophobicContact CE2-CG 3.67Å; F126-K144 VanDerWaalsContact CG-CE 3.5Å; Q128-K144 CarbonylContact O-C 3.46Å; Q128-K144 WeakPolarHBondContact O-CA 3.27Å; V129-K144 HydrophobicContact CG2-CB 4.32Å; V129-K144 HydrophobicContact CG2-CG 4.2Å; K144-I146 HydrophobicContact CD-CD1 4.05Å; K144-I146 HydrophobicContact CG-CD1 3.97Å; K144-E159 IonicContact NZ-OE1 3.74Å; K144-E159 PolarHBondContact NZ-OE1 2.8Å; K144-E159 IonicContact NZ-OE2 3.35Å; K144-E159 PolarHBondContact NZ-OE2 2.79Å; K144-C191 CarbonylContact O-C 3.43Å; K144-C191 WeakPolarHBondContact O-CA 3.49Å; K144-L192 HydrophobicContact CB-CB 4.25Å; K144-L192 PolarHBondContact N-O 3.48Å; K144-L192 PolarHBondContact O-N 2.97Å; K144-F194 HydrophobicContact CB-CD2 4.25Å; K144-F194 HydrophobicContact CB-CE2 3.84Å; K144-F194 HydrophobicContact CD-CE2 4.05Å; K144-D263 IonicContact NZ-OD1 2.8Å; K144-D263 PolarHBondContact NZ-OD1 2.81Å; K144-D263 VanDerWaalsContact NZ-OD1 3.14Å
145	V	97.4	Very high	95.8	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.3	178.3	-172.6	0	0	0	0	108.5	Y103 Q128 L143 H189	Y103-V145 HydrophobicContact CG-CG1 4.35Å; Q128-V145 PolarHBondContact N-O 2.96Å; Q128-V145 PolarHBondContact O-N 3.07Å; L143-V145 HydrophobicContact CD2-CG2 4Å; L143-V145 HydrophobicContact CG-CG2 4.01Å; V145-H189 HydrophobicContact CG1-CB 3.66Å
146	I	97.6	Very high	95.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.5	-176.6	-55.8	-62.1	0	0	0	109.9	F126 K144 F152 A156 H189 L190 L192	F126-I146 HydrophobicContact CB-CD1 4.41Å; F126-I146 HydrophobicContact CD2-CD1 4.41Å; F126-I146 WeakPolarHBondContact O-CA 3.37Å; K144-I146 HydrophobicContact CD-CD1 4.05Å; K144-I146 HydrophobicContact CG-CD1 3.97Å; I146-F152 HydrophobicContact CG2-CB 3.86Å; I146-A156 HydrophobicContact CB-CB 4.34Å; I146-A156 HydrophobicContact CD1-CB 3.78Å; I146-A156 HydrophobicContact CG1-CB 3.62Å; I146-A156 HydrophobicContact CG2-CB 3.91Å; I146-H189 PolarHBondContact O-ND1 3.41Å; I146-L190 HydrophobicContact CB-CB 4.3Å; I146-L190 VanDerWaalsContact CB-O 3.29Å; I146-L190 WeakPolarHBondContact CB-O 3.16Å; I146-L190 HydrophobicContact CG1-CB 4.33Å; I146-L190 VanDerWaalsContact CG1-O 3.23Å; I146-L190 WeakPolarHBondContact CG1-O 3.32Å; I146-L190 PolarHBondContact N-O 3.46Å; I146-L192 HydrophobicContact CG1-CD1 4.04Å
147	K	97.2	Very high	95.7	Very high	25 Å²	25	55.6 Å²	55.6	11%	0.109	27%	0.267	C	S	.	.			trans	-52.1	140.2	175.4	-77.7	169.4	-177.3	-80.8	0	112.1	N100 F101 D102 S125 F126 K149 F152	N100-K147 PolarHBondContact O-NZ 3.06Å; F101-K147 HydrophobicContact CB-CB 4.36Å; F101-K147 CarbonylContact O-C 3.56Å; F101-K147 VanDerWaalsContact O-CA 3.24Å; F101-K147 WeakPolarHBondContact O-CA 3.25Å; D102-K147 WeakPolarHBondContact OD1-CE 3.22Å; D102-K147 VanDerWaalsContact OD1-CG 3.24Å; D102-K147 WeakPolarHBondContact OD1-CG 3.44Å; D102-K147 IonicContact OD1-NZ 3.54Å; D102-K147 PolarHBondContact OD1-NZ 3.49Å; D102-K147 IonicContact OD2-NZ 2.71Å; D102-K147 PolarHBondContact OD2-NZ 3.42Å; S125-K147 WeakPolarHBondContact O-CD 3.35Å; S125-K147 WeakPolarHBondContact O-CE 3.45Å; F126-K147 PolarHBondContact O-N 3.47Å; K147-K149 PolarHBondContact O-N 2.94Å; K147-F152 HydrophobicContact CB-CB 4.17Å; K147-F152 HydrophobicContact CB-CD2 3.59Å; K147-F152 HydrophobicContact CB-CE2 4.23Å; K147-F152 HydrophobicContact CB-CG 4.01Å; K147-F152 HydrophobicContact CD-CD2 3.76Å; K147-F152 HydrophobicContact CD-CE1 4.41Å; K147-F152 HydrophobicContact CD-CE2 3.55Å; K147-F152 HydrophobicContact CD-CG 4.32Å; K147-F152 HydrophobicContact CD-CZ 3.91Å; K147-F152 HydrophobicContact CG-CD2 4.32Å
148	N	96.2	Very high	95.6	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.262	26%	0.258	S	S	.	.	S	Bend	trans	-77	68.7	176.9	-176.9	12.9	0	0	0	111	D97 F101 N188 H189	D97-N148 VanDerWaalsContact OD2-CB 3.24Å; D97-N148 WeakPolarHBondContact OD2-CB 3.44Å; D97-N148 PolarHBondContact OD2-ND2 2.92Å; F101-N148 PolarHBondContact O-N 3.32Å; N148-N188 PolarHBondContact OD1-O 2.88Å; N148-H189 PolarHBondContact N-ND1 2.96Å
149	K	94.6	Very high	95.5	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	23%	0.229	S	C	.	.	S	Bend	trans	-150.4	135.9	174.3	-158.9	-176.7	176	169.7	0	110	F101 K147 P151 F152 L153	F101-K149 HydrophobicContact CD2-CD 4.22Å; F101-K149 HydrophobicContact CE2-CD 4.2Å; K147-K149 PolarHBondContact O-N 2.94Å; K149-P151 VanDerWaalsContact C-CD 3.48Å; K149-P151 VanDerWaalsContact O-N 3.15Å; K149-F152 HydrophobicContact CB-CD2 3.91Å; K149-F152 HydrophobicContact CD-CD2 4.49Å; K149-F152 HydrophobicContact CD-CE2 4.36Å; K149-F152 PolarHBondContact O-N 3.41Å; K149-L153 PolarHBondContact O-N 3.35Å
150	K	93.8	Very high	95.5	Very high	156 Å²	156	45.3 Å²	45.3	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-47.8	-44.1	-173.4	-168.7	172	-178.2	174.5	0	115.4	F152 L153 N154	K150-F152 PolarHBondContact O-N 2.82Å; K150-L153 PolarHBondContact O-N 2.75Å; K150-N154 WeakPolarHBondContact O-CB 3.19Å; K150-N154 PolarHBondContact O-N 3.41Å; K150-N154 PolarHBondContact O-OD1 2.81Å
151	P	91.9	Very high	95.4	Very high	80 Å²	80	47.1 Å²	47.1	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-38.8	179	-21.9	35.3	0	0	0	113.3	K149 Q155	K149-P151 VanDerWaalsContact C-CD 3.48Å; K149-P151 VanDerWaalsContact O-N 3.15Å; P151-Q155 WeakPolarHBondContact O-CB 3.34Å; P151-Q155 PolarHBondContact O-N 2.66Å; P151-Q155 VanDerWaalsContact O-N 3.1Å
152	F	93.2	Very high	95.3	Very high	67 Å²	67	47.4 Å²	47.4	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-70.4	-39.7	176.9	-64.6	-63.9	0	0	0	111.4	S125 I146 K147 K149 K150 Q155 A156	S125-F152 WeakPolarHBondContact O-CE1 3.4Å; S125-F152 WeakPolarHBondContact O-CZ 3.24Å; I146-F152 HydrophobicContact CG2-CB 3.86Å; K147-F152 HydrophobicContact CB-CB 4.17Å; K147-F152 HydrophobicContact CB-CD2 3.59Å; K147-F152 HydrophobicContact CB-CE2 4.23Å; K147-F152 HydrophobicContact CB-CG 4.01Å; K147-F152 HydrophobicContact CD-CD2 3.76Å; K147-F152 HydrophobicContact CD-CE1 4.41Å; K147-F152 HydrophobicContact CD-CE2 3.55Å; K147-F152 HydrophobicContact CD-CG 4.32Å; K147-F152 HydrophobicContact CD-CZ 3.91Å; K147-F152 HydrophobicContact CG-CD2 4.32Å; K149-F152 HydrophobicContact CB-CD2 3.91Å; K149-F152 HydrophobicContact CD-CD2 4.49Å; K149-F152 HydrophobicContact CD-CE2 4.36Å; K149-F152 PolarHBondContact O-N 3.41Å; K150-F152 PolarHBondContact O-N 2.82Å; F152-Q155 PolarHBondContact O-N 2.87Å; F152-A156 WeakPolarHBondContact O-CB 3.03Å; F152-A156 PolarHBondContact O-N 3.32Å
153	L	95.3	Very high	95.3	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-51	174.1	178.5	62.5	0	0	0	111.6	K149 K150 Q155 A156 Q157 M185 L190	K149-L153 PolarHBondContact O-N 3.35Å; K150-L153 PolarHBondContact O-N 2.75Å; L153-Q155 VanDerWaalsContact C-N 3.3Å; L153-Q155 PolarHBondContact O-N 3.36Å; L153-A156 PolarHBondContact O-N 3.15Å; L153-Q157 HydrophobicContact CD1-CG 4.42Å; L153-Q157 WeakPolarHBondContact O-CG 3.47Å; L153-Q157 PolarHBondContact O-N 2.88Å; L153-M185 HydrophobicContact CD1-SD 4.43Å; L153-L190 HydrophobicContact CD1-CB 3.61Å; L153-L190 HydrophobicContact CD1-CD2 3.89Å; L153-L190 HydrophobicContact CD1-CG 4.33Å
154	N	92.4	Very high	95.2	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-42.7	179.3	-69.8	-1	0	0	0	111.6	K150 Q157 I158	K150-N154 WeakPolarHBondContact O-CB 3.19Å; K150-N154 PolarHBondContact O-N 3.41Å; K150-N154 PolarHBondContact O-OD1 2.81Å; N154-Q157 PolarHBondContact O-N 3.35Å; N154-I158 WeakPolarHBondContact O-CG1 3.2Å; N154-I158 PolarHBondContact O-N 3.43Å
155	Q	91.3	Very high	95.2	Very high	34 Å²	34	52.2 Å²	52.2	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-40.6	178.3	-169.9	61.4	57.5	0	0	111.8	P151 F152 L153 Q157 I158 E159 G265 Y275	P151-Q155 WeakPolarHBondContact O-CB 3.34Å; P151-Q155 PolarHBondContact O-N 2.66Å; P151-Q155 VanDerWaalsContact O-N 3.1Å; F152-Q155 PolarHBondContact O-N 2.87Å; L153-Q155 VanDerWaalsContact C-N 3.3Å; L153-Q155 PolarHBondContact O-N 3.36Å; Q155-Q157 VanDerWaalsContact C-N 3.35Å; Q155-I158 WeakPolarHBondContact O-CB 3.46Å; Q155-I158 PolarHBondContact O-N 2.83Å; Q155-E159 PolarHBondContact O-N 3.44Å; Q155-G265 WeakPolarHBondContact CG-O 3.49Å; Q155-G265 PolarHBondContact NE2-O 3.43Å; Q155-Y275 PolarHBondContact OE1-OH 2.64Å
156	A	94.9	Very high	95.1	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-32.2	176.2	0	0	0	0	0	112.8	I146 F152 L153 I158 E159 V160 L190	I146-A156 HydrophobicContact CB-CB 4.34Å; I146-A156 HydrophobicContact CD1-CB 3.78Å; I146-A156 HydrophobicContact CG1-CB 3.62Å; I146-A156 HydrophobicContact CG2-CB 3.91Å; F152-A156 WeakPolarHBondContact O-CB 3.03Å; F152-A156 PolarHBondContact O-N 3.32Å; L153-A156 PolarHBondContact O-N 3.15Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-E159 WeakPolarHBondContact O-CB 3.24Å; A156-E159 PolarHBondContact O-N 3.5Å; A156-V160 WeakPolarHBondContact O-CG2 3.31Å; A156-V160 PolarHBondContact O-N 2.89Å; A156-L190 HydrophobicContact CB-CD2 3.83Å
157	Q	95.1	Very high	95.1	Very high	106 Å²	106	53.5 Å²	53.5	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-37.5	172.8	-74.3	175.4	-30.4	0	0	112.2	L153 N154 Q155 R161 L190	L153-Q157 HydrophobicContact CD1-CG 4.42Å; L153-Q157 WeakPolarHBondContact O-CG 3.47Å; L153-Q157 PolarHBondContact O-N 2.88Å; N154-Q157 PolarHBondContact O-N 3.35Å; Q155-Q157 VanDerWaalsContact C-N 3.35Å; Q157-R161 PolarHBondContact O-N 3.28Å; Q157-R161 VanDerWaalsContact O-N 3.08Å; Q157-L190 HydrophobicContact CG-CD2 4.21Å
158	I	92.8	Very high	95	Very high	58 Å²	58	60.5 Å²	60.5	30%	0.297	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-46	170.9	-63.6	167.6	0	0	0	109.7	N154 Q155 A156 V160 R161 L162 I274	N154-I158 WeakPolarHBondContact O-CG1 3.2Å; N154-I158 PolarHBondContact O-N 3.43Å; Q155-I158 WeakPolarHBondContact O-CB 3.46Å; Q155-I158 PolarHBondContact O-N 2.83Å; A156-I158 VanDerWaalsContact C-N 3.34Å; I158-V160 PolarHBondContact O-N 2.8Å; I158-R161 PolarHBondContact O-N 3.48Å; I158-L162 HydrophobicContact CG2-CD1 4.04Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.02Å; I158-I274 HydrophobicContact CD1-CD1 4.38Å
159	E	95.6	Very high	95	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-47.8	177.1	179.8	174	-159.7	0	0	112.2	K144 Q155 A156 R161 L162 L163 L192 F264	K144-E159 IonicContact NZ-OE1 3.74Å; K144-E159 PolarHBondContact NZ-OE1 2.8Å; K144-E159 IonicContact NZ-OE2 3.35Å; K144-E159 PolarHBondContact NZ-OE2 2.79Å; Q155-E159 PolarHBondContact O-N 3.44Å; A156-E159 WeakPolarHBondContact O-CB 3.24Å; A156-E159 PolarHBondContact O-N 3.5Å; E159-R161 PolarHBondContact O-N 2.79Å; E159-L162 PolarHBondContact O-N 3.09Å; E159-L163 HydrophobicContact CG-CD1 3.69Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CB 3.42Å; E159-L163 WeakPolarHBondContact O-CG 3.44Å; E159-L163 PolarHBondContact O-N 3.35Å; E159-L192 HydrophobicContact CG-CD2 4.43Å; E159-F264 HydrophobicContact CG-CB 4.08Å; E159-F264 PolarHBondContact OE1-N 3.46Å
160	V	97.1	Very high	95	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-52.4	175.4	170.1	0	0	0	0	110.5	A156 I158 L162 L163 E164 L180 D183 L190 L192	A156-V160 WeakPolarHBondContact O-CG2 3.31Å; A156-V160 PolarHBondContact O-N 2.89Å; I158-V160 PolarHBondContact O-N 2.8Å; V160-L162 VanDerWaalsContact C-N 3.31Å; V160-L162 PolarHBondContact O-N 2.91Å; V160-L163 PolarHBondContact O-N 3.38Å; V160-E164 HydrophobicContact CG1-CG 4.22Å; V160-E164 WeakPolarHBondContact O-CG 3.47Å; V160-E164 PolarHBondContact O-N 3.05Å; V160-L180 HydrophobicContact CG1-CD2 4.16Å; V160-L180 HydrophobicContact CG2-CD2 4.47Å; V160-D183 HydrophobicContact CG2-CB 4.3Å; V160-L190 HydrophobicContact CG2-CD2 4.42Å; V160-L192 HydrophobicContact CG2-CD1 4.01Å; V160-L192 HydrophobicContact CG2-CD2 3.7Å; V160-L192 HydrophobicContact CG2-CG 3.78Å
161	R	96.3	Very high	94.6	Very high	147 Å²	147	54.8 Å²	54.8	56%	0.555	27%	0.273	S	S	*	.	H	α-helix	trans	-56.9	-43.3	-179.3	-178.4	-175.9	176.5	-161.1	-1.2	112.4	Q157 I158 E159 L165	Q157-R161 PolarHBondContact O-N 3.28Å; Q157-R161 VanDerWaalsContact O-N 3.08Å; I158-R161 PolarHBondContact O-N 3.48Å; E159-R161 PolarHBondContact O-N 2.79Å; R161-L165 WeakPolarHBondContact O-CB 3.35Å; R161-L165 PolarHBondContact O-N 3.29Å; R161-L165 VanDerWaalsContact O-N 3.13Å
162	L	96.4	Very high	94.5	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-68.9	-43	179.2	-66.1	179.2	0	0	0	111.6	I158 E159 V160 L165 M166 I239 Q269	I158-L162 HydrophobicContact CG2-CD1 4.04Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.02Å; E159-L162 PolarHBondContact O-N 3.09Å; V160-L162 VanDerWaalsContact C-N 3.31Å; V160-L162 PolarHBondContact O-N 2.91Å; L162-L165 PolarHBondContact O-N 2.86Å; L162-M166 HydrophobicContact CB-CE 4.4Å; L162-M166 WeakPolarHBondContact O-CB 3.33Å; L162-M166 WeakPolarHBondContact O-CE 3.48Å; L162-M166 WeakPolarHBondContact O-CG 3.21Å; L162-M166 PolarHBondContact O-N 2.86Å; L162-I239 HydrophobicContact CB-CD1 4.49Å; L162-I239 HydrophobicContact CD2-CD1 4.13Å; L162-I239 HydrophobicContact CD2-CG1 4.24Å; L162-Q269 HydrophobicContact CD2-CG 3.75Å
163	L	97	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-45.1	178	-76.9	164.8	0	0	0	112.2	E159 V160 L165 M166 N167 I177 V178 L180 L192 F194 F264	E159-L163 HydrophobicContact CG-CD1 3.69Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CB 3.42Å; E159-L163 WeakPolarHBondContact O-CG 3.44Å; E159-L163 PolarHBondContact O-N 3.35Å; V160-L163 PolarHBondContact O-N 3.38Å; L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 3.48Å; L163-M166 HydrophobicContact CD2-CE 3.92Å; L163-M166 HydrophobicContact CG-CE 4.28Å; L163-M166 PolarHBondContact O-N 2.89Å; L163-N167 VanDerWaalsContact O-CB 3.26Å; L163-N167 WeakPolarHBondContact O-CB 3.29Å; L163-N167 PolarHBondContact O-N 3.4Å; L163-I177 HydrophobicContact CD2-CG2 4.46Å; L163-V178 HydrophobicContact CD2-CG1 3.85Å; L163-L180 HydrophobicContact CB-CB 4.07Å; L163-L180 HydrophobicContact CB-CD2 3.98Å; L163-L180 HydrophobicContact CD1-CB 4.36Å; L163-L180 HydrophobicContact CD1-CD2 4.34Å; L163-L192 HydrophobicContact CD1-CD2 4.49Å; L163-F194 HydrophobicContact CD1-CE1 3.6Å; L163-F194 HydrophobicContact CD1-CZ 3.79Å; L163-F264 HydrophobicContact CD2-CD2 3.85Å; L163-F264 HydrophobicContact CD2-CE2 4.33Å; L163-F264 HydrophobicContact CD2-CG 4.46Å
164	E	96.4	Very high	94.2	Very high	89 Å²	89	57.1 Å²	57.1	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-44.2	174.9	-72.5	-175.9	144.7	0	0	111.5	V160 R168 L180	V160-E164 HydrophobicContact CG1-CG 4.22Å; V160-E164 WeakPolarHBondContact O-CG 3.47Å; V160-E164 PolarHBondContact O-N 3.05Å; E164-R168 VanDerWaalsContact O-CB 3.27Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 3.25Å; E164-L180 HydrophobicContact CG-CD2 4.24Å
165	L	96	Very high	94.4	Very high	33 Å²	33	57.6 Å²	57.6	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-48	177.3	179	64.6	0	0	0	111.4	R161 L162 L163 H169 L237	R161-L165 WeakPolarHBondContact O-CB 3.35Å; R161-L165 PolarHBondContact O-N 3.29Å; R161-L165 VanDerWaalsContact O-N 3.13Å; L162-L165 PolarHBondContact O-N 2.86Å; L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 3.48Å; L165-H169 PolarHBondContact O-N 3.38Å; L165-H169 PolarHBondContact O-ND1 2.78Å; L165-L237 HydrophobicContact CD1-CD2 4.35Å; L165-L237 HydrophobicContact CD2-CD2 3.86Å; L165-L237 HydrophobicContact CG-CD2 3.61Å
166	M	97.2	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-48	178.4	-72.9	-176.1	-66.6	0	0	112	L162 L163 R168 H169 D170 I177 F231 L232 L237 I239 F264	L162-M166 HydrophobicContact CB-CE 4.4Å; L162-M166 WeakPolarHBondContact O-CB 3.33Å; L162-M166 WeakPolarHBondContact O-CE 3.48Å; L162-M166 WeakPolarHBondContact O-CG 3.21Å; L162-M166 PolarHBondContact O-N 2.86Å; L163-M166 HydrophobicContact CD2-CE 3.92Å; L163-M166 HydrophobicContact CG-CE 4.28Å; L163-M166 PolarHBondContact O-N 2.89Å; M166-R168 PolarHBondContact O-N 3.29Å; M166-H169 CarbonylContact O-C 3.56Å; M166-H169 PolarHBondContact O-N 3.5Å; M166-D170 PolarHBondContact O-N 2.9Å; M166-I177 HydrophobicContact CE-CG2 3.97Å; M166-I177 HydrophobicContact SD-CG1 4.48Å; M166-I177 HydrophobicContact SD-CG2 4.01Å; M166-F231 HydrophobicContact CB-CE1 3.97Å; M166-F231 HydrophobicContact CB-CZ 4.3Å; M166-F231 HydrophobicContact CG-CE1 4.08Å; M166-F231 WeakPolarHBondContact O-CZ 3.23Å; M166-L232 HydrophobicContact CG-CD2 4.4Å; M166-L232 HydrophobicContact SD-CD2 3.29Å; M166-L232 WeakPolarHBondContact SD-CD2 3.4Å; M166-L237 HydrophobicContact CG-CD1 4.32Å; M166-L237 HydrophobicContact CG-CD2 4.45Å; M166-I239 HydrophobicContact CE-CD1 4.44Å; M166-I239 HydrophobicContact CG-CD1 3.49Å; M166-I239 VanDerWaalsContact CG-CD1 3.49Å; M166-I239 HydrophobicContact SD-CD1 3.7Å; M166-F264 HydrophobicContact CE-CD1 3.49Å; M166-F264 VanDerWaalsContact CE-CD1 3.49Å; M166-F264 HydrophobicContact CE-CD2 4.03Å; M166-F264 HydrophobicContact CE-CE1 3.52Å; M166-F264 HydrophobicContact CE-CE2 4.06Å; M166-F264 HydrophobicContact CE-CG 3.78Å; M166-F264 HydrophobicContact CE-CZ 3.84Å; M166-F264 HydrophobicContact SD-CD1 4.15Å; M166-F264 HydrophobicContact SD-CE1 3.66Å; M166-F264 HydrophobicContact SD-CZ 4.04Å
167	N	96.4	Very high	94.8	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.171	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-27.8	-178.5	-69.1	177.7	0	0	0	112.2	L163 D170 A171 V178 K179 L180	L163-N167 VanDerWaalsContact O-CB 3.26Å; L163-N167 WeakPolarHBondContact O-CB 3.29Å; L163-N167 PolarHBondContact O-N 3.4Å; N167-D170 CarbonylContact O-C 3.43Å; N167-D170 PolarHBondContact O-N 3.24Å; N167-A171 PolarHBondContact O-N 2.7Å; N167-V178 PolarHBondContact ND2-O 2.79Å; N167-V178 VanDerWaalsContact ND2-O 3.15Å; N167-K179 WeakPolarHBondContact OD1-CA 3.5Å; N167-L180 PolarHBondContact OD1-N 3.23Å
168	R	95.8	Very high	95	Very high	172 Å²	172	54 Å²	54	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-40	170.1	-169	-174.9	-56.1	134.3	6.2	112.3	E164 M166	E164-R168 VanDerWaalsContact O-CB 3.27Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 3.25Å; M166-R168 PolarHBondContact O-N 3.29Å
169	H	95.3	Very high	95.1	Very high	89 Å²	89	55.8 Å²	55.8	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-80.5	-16	177.3	-70.1	86.5	0	0	0	113.4	L165 M166 F231	L165-H169 PolarHBondContact O-N 3.38Å; L165-H169 PolarHBondContact O-ND1 2.78Å; M166-H169 CarbonylContact O-C 3.56Å; M166-H169 PolarHBondContact O-N 3.5Å; H169-F231 HydrophobicContact CB-CE2 3.91Å; H169-F231 HydrophobicContact CB-CZ 3.97Å
170	D	93.9	Very high	95.2	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.043	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	53.5	176.9	-168.3	20.3	0	0	0	112.9	M166 N167 A172 S173 K174 Y175 F231	M166-D170 PolarHBondContact O-N 2.9Å; N167-D170 CarbonylContact O-C 3.43Å; N167-D170 PolarHBondContact O-N 3.24Å; D170-A172 PolarHBondContact O-N 2.74Å; D170-S173 PolarHBondContact O-N 2.81Å; D170-S173 WeakPolarHBondContact OD1-CA 3.36Å; D170-S173 PolarHBondContact OD1-N 3.23Å; D170-S173 VanDerWaalsContact OD1-N 3.1Å; D170-S173 VanDerWaalsContact OD2-CA 3.29Å; D170-S173 WeakPolarHBondContact OD2-CA 3.43Å; D170-K174 VanDerWaalsContact CG-N 3.31Å; D170-K174 PolarHBondContact OD1-N 2.79Å; D170-K174 PolarHBondContact OD2-N 3.25Å; D170-Y175 HydrophobicContact CB-CD2 3.9Å; D170-Y175 VanDerWaalsContact CG-CD2 3.47Å; D170-Y175 WeakPolarHBondContact OD1-CD2 3.42Å; D170-Y175 PolarHBondContact OD2-N 2.93Å; D170-F231 HydrophobicContact CB-CE2 4.32Å; D170-F231 HydrophobicContact CB-CZ 3.94Å
171	A	86.1	Confident	95.2	Very high	92 Å²	92	59.6 Å²	59.6	76%	0.76	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.3	179.5	0	0	0	0	0	113.1	N167	N167-A171 PolarHBondContact O-N 2.7Å
172	A	90.3	Very high	95.2	Very high	63 Å²	63	54.1 Å²	54.1	52%	0.521	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2	179.9	0	0	0	0	0	114.4	D170 K174	D170-A172 PolarHBondContact O-N 2.74Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 HydrophobicContact CB-CD 3.85Å; A172-K174 HydrophobicContact CB-CG 3.85Å; A172-K174 PolarHBondContact O-N 3.45Å
173	S	90.1	Very high	95.2	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	29%	0.289	S	S	.	.			trans	54.3	40.5	-180	-62.6	0	0	0	0	114.1	D170	D170-S173 PolarHBondContact O-N 2.81Å; D170-S173 WeakPolarHBondContact OD1-CA 3.36Å; D170-S173 PolarHBondContact OD1-N 3.23Å; D170-S173 VanDerWaalsContact OD1-N 3.1Å; D170-S173 VanDerWaalsContact OD2-CA 3.29Å; D170-S173 WeakPolarHBondContact OD2-CA 3.43Å
174	K	92.6	Very high	95.2	Very high	126 Å²	126	58 Å²	58	55%	0.548	29%	0.294	S	S	.	.			trans	-94.2	-11.8	-174.6	-70.7	178.1	179.2	172.6	0	114	D170 A172 K227	D170-K174 VanDerWaalsContact CG-N 3.31Å; D170-K174 PolarHBondContact OD1-N 2.79Å; D170-K174 PolarHBondContact OD2-N 3.25Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 HydrophobicContact CB-CD 3.85Å; A172-K174 HydrophobicContact CB-CG 3.85Å; A172-K174 PolarHBondContact O-N 3.45Å; K174-K227 WeakPolarHBondContact O-CE 3.15Å; K174-K227 PolarHBondContact O-NZ 2.8Å
175	Y	95.7	Very high	95.3	Very high	84 Å²	84	58.4 Å²	58.4	33%	0.329	30%	0.297	S	S	.	.	S	Bend	trans	-109.2	17.9	-171.5	-62.4	-66.8	0	0	0	114.1	D170 I177 K227 A228 F231	D170-Y175 HydrophobicContact CB-CD2 3.9Å; D170-Y175 VanDerWaalsContact CG-CD2 3.47Å; D170-Y175 WeakPolarHBondContact OD1-CD2 3.42Å; D170-Y175 PolarHBondContact OD2-N 2.93Å; Y175-I177 PolarHBondContact O-N 2.73Å; Y175-I177 VanDerWaalsContact O-N 3.17Å; Y175-K227 HydrophobicContact CD1-CG 4.05Å; Y175-A228 WeakPolarHBondContact O-CA 3.49Å; Y175-A228 WeakPolarHBondContact O-CB 3.42Å; Y175-F231 HydrophobicContact CD1-CB 3.69Å; Y175-F231 HydrophobicContact CD1-CD2 4.16Å; Y175-F231 HydrophobicContact CD1-CG 4.1Å; Y175-F231 HydrophobicContact CD2-CB 4.38Å; Y175-F231 AromaticContact CD2-CD2 3.41Å; Y175-F231 HydrophobicContact CD2-CD2 3.41Å; Y175-F231 VanDerWaalsContact CD2-CD2 3.41Å; Y175-F231 AromaticContact CD2-CE2 3.7Å; Y175-F231 HydrophobicContact CD2-CE2 3.7Å; Y175-F231 AromaticContact CD2-CG 3.89Å; Y175-F231 HydrophobicContact CD2-CG 3.89Å; Y175-F231 HydrophobicContact CD2-CZ 4.4Å; Y175-F231 HydrophobicContact CE1-CB 4.42Å; Y175-F231 AromaticContact CE2-CD2 3.85Å; Y175-F231 HydrophobicContact CE2-CD2 3.85Å; Y175-F231 HydrophobicContact CE2-CE2 4.15Å; Y175-F231 HydrophobicContact CG-CB 3.67Å; Y175-F231 HydrophobicContact CG-CD1 4.27Å; Y175-F231 AromaticContact CG-CD2 3.59Å; Y175-F231 HydrophobicContact CG-CD2 3.59Å; Y175-F231 HydrophobicContact CG-CE2 4.27Å; Y175-F231 AromaticContact CG-CG 3.58Å; Y175-F231 HydrophobicContact CG-CG 3.58Å
176	Y	97.6	Very high	95.3	Very high	59 Å²	59	59.4 Å²	59.4	23%	0.231	30%	0.299	C	S	.	.			trans	59.4	28.8	169.3	-44.1	-76.7	0	0	0	114.2	Q224 K227 I259 K260 V261	Y176-Q224 HydrophobicContact CD1-CB 4.21Å; Y176-Q224 HydrophobicContact CD1-CG 4.18Å; Y176-Q224 HydrophobicContact CD2-CB 4.09Å; Y176-Q224 WeakPolarHBondContact CD2-O 3.49Å; Y176-Q224 HydrophobicContact CE1-CB 4.15Å; Y176-Q224 HydrophobicContact CE1-CG 3.68Å; Y176-Q224 HydrophobicContact CE2-CB 4.02Å; Y176-Q224 HydrophobicContact CE2-CG 4.09Å; Y176-Q224 HydrophobicContact CG-CB 4.19Å; Y176-K227 HydrophobicContact CD2-CB 4.26Å; Y176-K227 HydrophobicContact CD2-CG 4.27Å; Y176-K227 HydrophobicContact CE2-CB 3.85Å; Y176-K227 HydrophobicContact CE2-CD 3.73Å; Y176-K227 HydrophobicContact CE2-CG 3.78Å; Y176-I259 WeakPolarHBondContact CB-O 3.39Å; Y176-I259 WeakPolarHBondContact CD1-O 3.35Å; Y176-K260 CarbonylContact O-C 3.4Å; Y176-K260 WeakPolarHBondContact O-CA 3.15Å; Y176-V261 PolarHBondContact O-N 3.21Å
177	I	97.9	Very high	95.2	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-97.1	141.8	170.8	-50.3	-52.5	0	0	0	108.7	L163 M166 Y175 A228 F231 L232 K260 V261 F264	L163-I177 HydrophobicContact CD2-CG2 4.46Å; M166-I177 HydrophobicContact CE-CG2 3.97Å; M166-I177 HydrophobicContact SD-CG1 4.48Å; M166-I177 HydrophobicContact SD-CG2 4.01Å; Y175-I177 PolarHBondContact O-N 2.73Å; Y175-I177 VanDerWaalsContact O-N 3.17Å; I177-A228 HydrophobicContact CD1-CB 4.16Å; I177-F231 HydrophobicContact CD1-CD1 4.49Å; I177-F231 HydrophobicContact CG1-CD1 3.87Å; I177-F231 HydrophobicContact CG1-CE1 3.92Å; I177-L232 HydrophobicContact CD1-CD2 4.12Å; I177-L232 HydrophobicContact CD1-CG 4.46Å; I177-K260 WeakPolarHBondContact O-CD 3.47Å; I177-K260 PolarHBondContact O-NZ 2.82Å; I177-V261 HydrophobicContact CD1-CB 4.36Å; I177-F264 HydrophobicContact CD1-CZ 4.09Å; I177-F264 HydrophobicContact CG2-CE2 3.81Å; I177-F264 HydrophobicContact CG2-CZ 3.85Å
178	V	97.5	Very high	95.2	Very high	6 Å²	6	66.1 Å²	66.1	4%	0.036	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-59	139.4	174	69	0	0	0	0	111.4	L163 N167 F194 E195 L197 V261 I262	L163-V178 HydrophobicContact CD2-CG1 3.85Å; N167-V178 PolarHBondContact ND2-O 2.79Å; N167-V178 VanDerWaalsContact ND2-O 3.15Å; V178-F194 HydrophobicContact CG1-CD1 4.14Å; V178-F194 HydrophobicContact CG1-CE1 4.06Å; V178-F194 HydrophobicContact CG2-CB 4.27Å; V178-F194 HydrophobicContact CG2-CD1 3.76Å; V178-F194 HydrophobicContact CG2-CE1 4.49Å; V178-F194 HydrophobicContact CG2-CG 4.35Å; V178-E195 HydrophobicContact CG2-CG 4.25Å; V178-L197 HydrophobicContact CG2-CD1 4.17Å; V178-V261 PolarHBondContact N-O 3.47Å; V178-V261 VanDerWaalsContact N-O 3.09Å; V178-I262 HydrophobicContact CB-CG2 4.03Å; V178-I262 HydrophobicContact CG1-CB 4.5Å; V178-I262 HydrophobicContact CG1-CG2 4.37Å; V178-I262 HydrophobicContact CG2-CG2 4.24Å
179	K	96.8	Very high	95.3	Very high	97 Å²	97	58 Å²	58	42%	0.422	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-88.8	116.5	177.6	-171.9	172.9	-177.7	174	0	110.5	N167 F194 E195	N167-K179 WeakPolarHBondContact OD1-CA 3.5Å; K179-F194 WeakPolarHBondContact O-CA 3.45Å; K179-E195 HydrophobicContact CB-CG 4.46Å; K179-E195 WeakPolarHBondContact CB-OE1 3.34Å; K179-E195 PolarHBondContact N-OE1 2.87Å; K179-E195 PolarHBondContact O-N 3.33Å
180	L	97.4	Very high	95.4	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.8	163.3	-177.2	65.6	0	0	0	108	V160 L163 E164 N167 L192 F194	V160-L180 HydrophobicContact CG1-CD2 4.16Å; V160-L180 HydrophobicContact CG2-CD2 4.47Å; L163-L180 HydrophobicContact CB-CB 4.07Å; L163-L180 HydrophobicContact CB-CD2 3.98Å; L163-L180 HydrophobicContact CD1-CB 4.36Å; L163-L180 HydrophobicContact CD1-CD2 4.34Å; E164-L180 HydrophobicContact CG-CD2 4.24Å; N167-L180 PolarHBondContact OD1-N 3.23Å; L180-L192 HydrophobicContact CD1-CB 3.82Å; L180-L192 HydrophobicContact CD1-CD2 4.22Å; L180-L192 HydrophobicContact CD1-CG 4.06Å; L180-F194 HydrophobicContact CB-CD1 4.41Å; L180-F194 HydrophobicContact CB-CE1 4.16Å; L180-F194 HydrophobicContact CD1-CD1 4.23Å; L180-F194 HydrophobicContact CD1-CE1 3.84Å; L180-F194 HydrophobicContact CD1-CE2 4.42Å; L180-F194 HydrophobicContact CD1-CZ 3.95Å
181	K	95.9	Very high	95.6	Very high	77 Å²	77	53.9 Å²	53.9	34%	0.335	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-40.9	179.5	-73.2	-174.7	150.6	-161.2	0	112.1	C139 V141 V193	C139-K181 PolarHBondContact SG-NZ 2.76Å; V141-K181 HydrophobicContact CG1-CD 3.94Å; K181-V193 HydrophobicContact CB-CB 4.42Å; K181-V193 HydrophobicContact CB-CG1 4.22Å; K181-V193 WeakPolarHBondContact CB-O 3.36Å; K181-V193 HydrophobicContact CD-CG1 4.48Å; K181-V193 PolarHBondContact N-O 3.3Å
182	S	96	Very high	96.2	Very high	31 Å²	31	49.5 Å²	49.5	22%	0.217	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	161.9	178.4	58.7	0	0	0	0	109.5	Y115 V193	Y115-S182 PolarHBondContact OH-OG 2.82Å; S182-V193 WeakPolarHBondContact O-CA 3.46Å; S182-V193 WeakPolarHBondContact O-CB 3.48Å; S182-V193 PolarHBondContact O-N 3.2Å; S182-V193 WeakPolarHBondContact OG-CG2 3.44Å
183	D	97.2	Very high	96.6	Very high	61 Å²	61	46.5 Å²	46.5	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.8	165.9	65	-70.6	0	0	0	110.6	V160 L190 C191 L192	V160-D183 HydrophobicContact CG2-CB 4.3Å; D183-L190 HydrophobicContact CB-CD1 4.45Å; D183-C191 CarbonylContact C-O 3.57Å; D183-C191 WeakPolarHBondContact CA-O 3.44Å; D183-L192 HydrophobicContact CB-CG 4.34Å
184	F	97.8	Very high	96.9	Very high	26 Å²	26	44.8 Å²	44.8	11%	0.114	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	160	177.4	56.8	-90.3	0	0	0	111.4	L111 L112 Y115 L143 W186 C191 V193	L111-F184 HydrophobicContact CB-CE2 4.47Å; L111-F184 HydrophobicContact CD2-CE2 4.19Å; L111-F184 HydrophobicContact CD2-CZ 4.28Å; L112-F184 HydrophobicContact CD1-CB 4.01Å; L112-F184 HydrophobicContact CD1-CD1 4.11Å; L112-F184 HydrophobicContact CD1-CD2 3.48Å; L112-F184 VanDerWaalsContact CD1-CD2 3.48Å; L112-F184 HydrophobicContact CD1-CE1 4.46Å; L112-F184 HydrophobicContact CD1-CE2 3.88Å; L112-F184 HydrophobicContact CD1-CG 3.6Å; L112-F184 HydrophobicContact CD1-CZ 4.36Å; L112-F184 HydrophobicContact CG-CD2 4.21Å; L112-F184 HydrophobicContact CG-CE2 4.31Å; Y115-F184 AromaticContact CD2-CE1 3.7Å; Y115-F184 HydrophobicContact CD2-CE1 3.7Å; Y115-F184 AromaticContact CD2-CZ 3.69Å; Y115-F184 HydrophobicContact CD2-CZ 3.69Å; Y115-F184 HydrophobicContact CE2-CD1 4.09Å; Y115-F184 AromaticContact CE2-CE1 3.29Å; Y115-F184 HydrophobicContact CE2-CE1 3.29Å; Y115-F184 AromaticContact CE2-CZ 3.79Å; Y115-F184 HydrophobicContact CE2-CZ 3.79Å; L143-F184 HydrophobicContact CD1-CE1 4.18Å; L143-F184 HydrophobicContact CD1-CZ 3.89Å; F184-W186 HydrophobicContact CD2-CB 4.02Å; F184-W186 HydrophobicContact CE2-CB 3.82Å; F184-C191 HydrophobicContact CD1-CB 4.42Å; F184-C191 HydrophobicContact CD2-CB 3.9Å; F184-C191 HydrophobicContact CE1-CB 4.11Å; F184-C191 HydrophobicContact CE2-CB 3.56Å; F184-C191 HydrophobicContact CG-CB 4.32Å; F184-C191 HydrophobicContact CZ-CB 3.68Å; F184-C191 PolarHBondContact N-O 3.13Å; F184-C191 WeakPolarHBondContact O-CB 3.22Å; F184-C191 PolarHBondContact O-N 3.48Å; F184-V193 HydrophobicContact CD1-CG2 4.2Å; F184-V193 HydrophobicContact CE1-CG2 3.52Å; F184-V193 HydrophobicContact CZ-CG2 4.49Å
185	M	97.4	Very high	97.1	Very high	98 Å²	98	41 Å²	41	48%	0.483	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131	169.5	-70.3	-61.8	-62.8	0	0	110.4	L153 H189 L190	L153-M185 HydrophobicContact CD1-SD 4.43Å; M185-H189 WeakPolarHBondContact CA-O 3.34Å; M185-L190 VanDerWaalsContact SD-CA 3.57Å; M185-L190 HydrophobicContact SD-CB 3.75Å; M185-L190 HydrophobicContact SD-CD1 3.94Å; M185-L190 HydrophobicContact SD-CG 4.44Å
186	W	96.4	Very high	97.2	Very high	53 Å²	53	40 Å²	40	20%	0.201	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120	173.6	178.5	-101.6	0	0	0	110.3	Y103 L111 L112 F184 N188 H189	Y103-W186 AromaticContact CE2-NE1 3.96Å; Y103-W186 AromaticContact CZ-NE1 3.83Å; L111-W186 HydrophobicContact CB-CD2 4.34Å; L111-W186 HydrophobicContact CD2-CB 4.49Å; L111-W186 HydrophobicContact CD2-CG 4.03Å; L111-W186 HydrophobicContact CG-CD2 3.9Å; L111-W186 HydrophobicContact CG-CG 3.92Å; L111-W186 HydrophobicContact CG-CZ2 4.27Å; L112-W186 HydrophobicContact CD2-CE3 3.87Å; L112-W186 HydrophobicContact CD2-CZ3 3.93Å; L112-W186 HydrophobicContact CG-CE3 4.06Å; L112-W186 HydrophobicContact CG-CZ3 4.27Å; F184-W186 HydrophobicContact CD2-CB 4.02Å; F184-W186 HydrophobicContact CE2-CB 3.82Å; W186-N188 PolarHBondContact O-N 3.18Å; W186-H189 PolarHBondContact N-O 2.85Å; W186-H189 WeakPolarHBondContact O-CB 3.46Å; W186-H189 PolarHBondContact O-N 2.86Å
187	K	95.4	Very high	97.1	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	47.7	178.9	-55.3	-67.4	-179.8	171.2	0	112.2	N93 Y96 Y103 H189	N93-K187 PolarHBondContact ND2-O 3Å; Y96-K187 HydrophobicContact CD1-CD 4.32Å; Y96-K187 HydrophobicContact CD1-CG 4.19Å; Y96-K187 HydrophobicContact CD2-CB 4.49Å; Y96-K187 HydrophobicContact CD2-CD 4.1Å; Y96-K187 HydrophobicContact CD2-CG 4.48Å; Y96-K187 HydrophobicContact CE1-CD 4.04Å; Y96-K187 HydrophobicContact CE1-CG 4.3Å; Y96-K187 HydrophobicContact CE2-CD 3.86Å; Y96-K187 HydrophobicContact CG-CB 4.3Å; Y96-K187 HydrophobicContact CG-CD 4.36Å; Y96-K187 HydrophobicContact CG-CG 4.29Å; Y96-K187 PolarHBondContact OH-NZ 3.42Å; Y103-K187 HydrophobicContact CE2-CB 4.36Å; Y103-K187 HydrophobicContact CE2-CG 4.4Å; K187-H189 PolarHBondContact O-CD2 3.27Å; K187-H189 VanDerWaalsContact O-CD2 3.23Å; K187-H189 PolarHBondContact O-N 2.82Å
188	N	95.9	Very high	97	Very high	93 Å²	93	39.4 Å²	39.4	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	5.8	-177.1	-56.5	-41.6	0	0	0	116.8	N93 N148 W186	N93-N188 PolarHBondContact OD1-ND2 2.78Å; N148-N188 PolarHBondContact OD1-O 2.88Å; W186-N188 PolarHBondContact O-N 3.18Å
189	H	97.7	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.7	169.5	-62.8	-90.4	0	0	0	111.4	D97 F101 Y103 V145 I146 N148 M185 W186 K187 C191	D97-H189 IonicContact OD1-CD2 3.62Å; D97-H189 IonicContact OD1-CE1 3.46Å; D97-H189 IonicContact OD1-NE2 2.82Å; D97-H189 PolarHBondContact OD1-NE2 3.24Å; D97-H189 IonicContact OD2-CE1 3.38Å; D97-H189 IonicContact OD2-NE2 2.75Å; F101-H189 PolarHBondContact O-CE1 3.38Å; Y103-H189 AromaticContact CD2-CD2 3.8Å; Y103-H189 AromaticContact CD2-NE2 3.93Å; Y103-H189 PolarHBondContact N-CE1 2.98Å; Y103-H189 VanDerWaalsContact N-CE1 3.29Å; V145-H189 HydrophobicContact CG1-CB 3.66Å; I146-H189 PolarHBondContact O-ND1 3.41Å; N148-H189 PolarHBondContact N-ND1 2.96Å; M185-H189 WeakPolarHBondContact CA-O 3.34Å; W186-H189 PolarHBondContact N-O 2.85Å; W186-H189 WeakPolarHBondContact O-CB 3.46Å; W186-H189 PolarHBondContact O-N 2.86Å; K187-H189 PolarHBondContact O-CD2 3.27Å; K187-H189 VanDerWaalsContact O-CD2 3.23Å; K187-H189 PolarHBondContact O-N 2.82Å; H189-C191 PolarHBondContact O-N 2.99Å
190	L	98	Very high	96.6	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.4	163.9	-179.4	61.1	0	0	0	108.4	I146 L153 A156 Q157 V160 D183 M185 L192	I146-L190 HydrophobicContact CB-CB 4.3Å; I146-L190 VanDerWaalsContact CB-O 3.29Å; I146-L190 WeakPolarHBondContact CB-O 3.16Å; I146-L190 HydrophobicContact CG1-CB 4.33Å; I146-L190 VanDerWaalsContact CG1-O 3.23Å; I146-L190 WeakPolarHBondContact CG1-O 3.32Å; I146-L190 PolarHBondContact N-O 3.46Å; L153-L190 HydrophobicContact CD1-CB 3.61Å; L153-L190 HydrophobicContact CD1-CD2 3.89Å; L153-L190 HydrophobicContact CD1-CG 4.33Å; A156-L190 HydrophobicContact CB-CD2 3.83Å; Q157-L190 HydrophobicContact CG-CD2 4.21Å; V160-L190 HydrophobicContact CG2-CD2 4.42Å; D183-L190 HydrophobicContact CB-CD1 4.45Å; M185-L190 VanDerWaalsContact SD-CA 3.57Å; M185-L190 HydrophobicContact SD-CB 3.75Å; M185-L190 HydrophobicContact SD-CD1 3.94Å; M185-L190 HydrophobicContact SD-CG 4.44Å; L190-L192 HydrophobicContact CD1-CD1 4.48Å; L190-L192 HydrophobicContact CD2-CD1 4.04Å; L190-L192 HydrophobicContact CG-CD1 3.72Å
191	C	97.9	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.6	-178.6	-65.6	0	0	0	0	109.4	L143 K144 D183 F184 H189	L143-C191 HydrophobicContact CD1-CB 4.01Å; K144-C191 CarbonylContact O-C 3.43Å; K144-C191 WeakPolarHBondContact O-CA 3.49Å; D183-C191 CarbonylContact C-O 3.57Å; D183-C191 WeakPolarHBondContact CA-O 3.44Å; F184-C191 HydrophobicContact CD1-CB 4.42Å; F184-C191 HydrophobicContact CD2-CB 3.9Å; F184-C191 HydrophobicContact CE1-CB 4.11Å; F184-C191 HydrophobicContact CE2-CB 3.56Å; F184-C191 HydrophobicContact CG-CB 4.32Å; F184-C191 HydrophobicContact CZ-CB 3.68Å; F184-C191 PolarHBondContact N-O 3.13Å; F184-C191 WeakPolarHBondContact O-CB 3.22Å; F184-C191 PolarHBondContact O-N 3.48Å; H189-C191 PolarHBondContact O-N 2.99Å
192	L	98.2	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.9	176.3	-73.7	66.9	0	0	0	108.9	L143 K144 I146 E159 V160 L163 L180 D183 L190 F194	L143-L192 CarbonylContact C-O 3.5Å; L143-L192 WeakPolarHBondContact CA-O 3.33Å; K144-L192 HydrophobicContact CB-CB 4.25Å; K144-L192 PolarHBondContact N-O 3.48Å; K144-L192 PolarHBondContact O-N 2.97Å; I146-L192 HydrophobicContact CG1-CD1 4.04Å; E159-L192 HydrophobicContact CG-CD2 4.43Å; V160-L192 HydrophobicContact CG2-CD1 4.01Å; V160-L192 HydrophobicContact CG2-CD2 3.7Å; V160-L192 HydrophobicContact CG2-CG 3.78Å; L163-L192 HydrophobicContact CD1-CD2 4.49Å; L180-L192 HydrophobicContact CD1-CB 3.82Å; L180-L192 HydrophobicContact CD1-CD2 4.22Å; L180-L192 HydrophobicContact CD1-CG 4.06Å; D183-L192 HydrophobicContact CB-CG 4.34Å; L190-L192 HydrophobicContact CD1-CD1 4.48Å; L190-L192 HydrophobicContact CD2-CD1 4.04Å; L190-L192 HydrophobicContact CG-CD1 3.72Å; L192-F194 HydrophobicContact CB-CD2 4.19Å; L192-F194 HydrophobicContact CB-CE2 3.41Å; L192-F194 VanDerWaalsContact CB-CE2 3.41Å; L192-F194 HydrophobicContact CB-CZ 3.87Å; L192-F194 HydrophobicContact CD2-CE2 4.02Å; L192-F194 HydrophobicContact CD2-CZ 3.7Å; L192-F194 HydrophobicContact CG-CE2 4.38Å; L192-F194 HydrophobicContact CG-CZ 4.43Å
193	V	98.1	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.2	-179.6	-173.2	0	0	0	0	109.2	Y115 V141 L143 K181 S182 F184	Y115-V193 HydrophobicContact CE1-CG1 3.91Å; Y115-V193 HydrophobicContact CE1-CG2 4.09Å; Y115-V193 HydrophobicContact CE2-CG2 4.17Å; V141-V193 HydrophobicContact CB-CG1 3.77Å; V141-V193 HydrophobicContact CG1-CG1 3.98Å; V141-V193 HydrophobicContact CG2-CG1 3.84Å; L143-V193 HydrophobicContact CD1-CG2 3.83Å; K181-V193 HydrophobicContact CB-CB 4.42Å; K181-V193 HydrophobicContact CB-CG1 4.22Å; K181-V193 WeakPolarHBondContact CB-O 3.36Å; K181-V193 HydrophobicContact CD-CG1 4.48Å; K181-V193 PolarHBondContact N-O 3.3Å; S182-V193 WeakPolarHBondContact O-CA 3.46Å; S182-V193 WeakPolarHBondContact O-CB 3.48Å; S182-V193 PolarHBondContact O-N 3.2Å; S182-V193 WeakPolarHBondContact OG-CG2 3.44Å; F184-V193 HydrophobicContact CD1-CG2 4.2Å; F184-V193 HydrophobicContact CE1-CG2 3.52Å; F184-V193 HydrophobicContact CZ-CG2 4.49Å
194	F	98.1	Very high	96.5	Very high	17 Å²	17	36.5 Å²	36.5	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	162.2	-179.7	-63.6	-83.8	0	0	0	111.7	V141 A142 K144 L163 V178 K179 L180 L192	V141-F194 WeakPolarHBondContact CA-O 3.18Å; V141-F194 WeakPolarHBondContact CB-O 3.22Å; A142-F194 HydrophobicContact CB-CB 4.28Å; A142-F194 PolarHBondContact N-O 3.48Å; A142-F194 PolarHBondContact O-N 2.92Å; K144-F194 HydrophobicContact CB-CD2 4.25Å; K144-F194 HydrophobicContact CB-CE2 3.84Å; K144-F194 HydrophobicContact CD-CE2 4.05Å; L163-F194 HydrophobicContact CD1-CE1 3.6Å; L163-F194 HydrophobicContact CD1-CZ 3.79Å; V178-F194 HydrophobicContact CG1-CD1 4.14Å; V178-F194 HydrophobicContact CG1-CE1 4.06Å; V178-F194 HydrophobicContact CG2-CB 4.27Å; V178-F194 HydrophobicContact CG2-CD1 3.76Å; V178-F194 HydrophobicContact CG2-CE1 4.49Å; V178-F194 HydrophobicContact CG2-CG 4.35Å; K179-F194 WeakPolarHBondContact O-CA 3.45Å; L180-F194 HydrophobicContact CB-CD1 4.41Å; L180-F194 HydrophobicContact CB-CE1 4.16Å; L180-F194 HydrophobicContact CD1-CD1 4.23Å; L180-F194 HydrophobicContact CD1-CE1 3.84Å; L180-F194 HydrophobicContact CD1-CE2 4.42Å; L180-F194 HydrophobicContact CD1-CZ 3.95Å; L192-F194 HydrophobicContact CB-CD2 4.19Å; L192-F194 HydrophobicContact CB-CE2 3.41Å; L192-F194 VanDerWaalsContact CB-CE2 3.41Å; L192-F194 HydrophobicContact CB-CZ 3.87Å; L192-F194 HydrophobicContact CD2-CE2 4.02Å; L192-F194 HydrophobicContact CD2-CZ 3.7Å; L192-F194 HydrophobicContact CG-CE2 4.38Å; L192-F194 HydrophobicContact CG-CZ 4.43Å
195	E	96.8	Very high	96.3	Very high	46 Å²	46	35.3 Å²	35.3	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	140.6	159.9	69.8	-170	118.8	0	0	110.7	V178 K179 L197 K260	V178-E195 HydrophobicContact CG2-CG 4.25Å; K179-E195 HydrophobicContact CB-CG 4.46Å; K179-E195 WeakPolarHBondContact CB-OE1 3.34Å; K179-E195 PolarHBondContact N-OE1 2.87Å; K179-E195 PolarHBondContact O-N 3.33Å; E195-L197 HydrophobicContact CG-CD2 3.99Å; E195-L197 HydrophobicContact CG-CG 4.19Å; E195-L197 PolarHBondContact O-N 3.39Å; E195-K260 VanDerWaalsContact OE1-CD 3.29Å; E195-K260 WeakPolarHBondContact OE1-CD 3.48Å; E195-K260 WeakPolarHBondContact OE1-CE 3.34Å; E195-K260 IonicContact OE1-NZ 3.91Å; E195-K260 PolarHBondContact OE1-NZ 3.12Å; E195-K260 WeakPolarHBondContact OE2-CE 3.28Å; E195-K260 IonicContact OE2-NZ 2.7Å; E195-K260 PolarHBondContact OE2-NZ 2.8Å
196	L	97.1	Very high	96.2	Very high	62 Å²	62	37.1 Å²	37.1	33%	0.325	17%	0.17	S	C	.	.			trans	-77.4	122.6	174.9	-175.1	67.8	0	0	0	109.5	I121 K131 A142	I121-L196 HydrophobicContact CD1-CD1 3.89Å; K131-L196 HydrophobicContact CD-CD2 4.07Å; K131-L196 HydrophobicContact CG-CD1 4.48Å; K131-L196 HydrophobicContact CG-CD2 4.18Å; A142-L196 HydrophobicContact CB-CD1 4.13Å
197	L	96.5	Very high	96	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.141	17%	0.17	C	C	.	.			trans	-106.2	175.3	175.3	-60.6	175.9	0	0	0	110.7	V178 E195 L250 K260 I262	V178-L197 HydrophobicContact CG2-CD1 4.17Å; E195-L197 HydrophobicContact CG-CD2 3.99Å; E195-L197 HydrophobicContact CG-CG 4.19Å; E195-L197 PolarHBondContact O-N 3.39Å; L197-L250 HydrophobicContact CB-CB 3.94Å; L197-L250 HydrophobicContact CB-CD2 3.81Å; L197-L250 HydrophobicContact CD1-CB 3.82Å; L197-L250 HydrophobicContact CD1-CD2 4.19Å; L197-K260 HydrophobicContact CD1-CB 3.93Å; L197-K260 HydrophobicContact CD2-CD 4.18Å; L197-I262 HydrophobicContact CD1-CG2 3.92Å
198	S	94.9	Very high	95.9	Very high	22 Å²	22	33.1 Å²	33.1	15%	0.154	16%	0.157	C	C	.	.			trans	-94.3	-155	178.2	-166.1	0	0	0	0	111.1	L251 P254	S198-L251 WeakPolarHBondContact CA-O 3.38Å; S198-L251 VanDerWaalsContact CB-O 3.22Å; S198-L251 WeakPolarHBondContact CB-O 3.24Å; S198-L251 PolarHBondContact N-O 3.14Å; S198-P254 WeakPolarHBondContact OG-CD 3.38Å
199	Y	90.8	Very high	95.8	Very high	50 Å²	50	34.8 Å²	34.8	20%	0.196	17%	0.166	C	C	.	.			trans	-63.5	149	-178.7	-40.3	-52.6	0	0	0	112.4	L251 P254 I452 Q456	Y199-L251 PolarHBondContact O-N 2.7Å; Y199-P254 HydrophobicContact CD2-CB 4.42Å; Y199-P254 HydrophobicContact CE2-CB 3.89Å; Y199-I452 HydrophobicContact CD2-CG2 3.97Å; Y199-I452 HydrophobicContact CE2-CG2 3.66Å; Y199-Q456 HydrophobicContact CE1-CG 4.47Å; Y199-Q456 VanDerWaalsContact CZ-NE2 3.3Å; Y199-Q456 PolarHBondContact OH-OE1 3.2Å
200	N	96	Very high	95.7	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-74.9	167	169.9	62.6	61.7	0	0	0	111.2	Y202 D203 L204 E247 I249 L250	N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 PolarHBondContact O-N 2.8Å; N200-Y202 WeakPolarHBondContact OD1-CA 3.41Å; N200-Y202 VanDerWaalsContact OD1-CB 3.28Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.29Å; N200-Y202 PolarHBondContact OD1-N 3.03Å; N200-D203 PolarHBondContact ND2-OD2 3.05Å; N200-D203 PolarHBondContact O-N 3.46Å; N200-D203 PolarHBondContact OD1-N 3.03Å; N200-D203 PolarHBondContact OD1-OD2 2.83Å; N200-L204 PolarHBondContact O-N 3.22Å; N200-L204 VanDerWaalsContact O-N 3.09Å; N200-E247 WeakPolarHBondContact CB-O 3.23Å; N200-I249 CarbonylContact C-O 3.23Å; N200-I249 VanDerWaalsContact CA-O 3.24Å; N200-I249 WeakPolarHBondContact CA-O 3.3Å; N200-L250 HydrophobicContact CB-CD1 3.69Å; N200-L250 HydrophobicContact CB-CG 4.07Å
201	L	97.3	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.6	-23.2	-178.6	-65.7	-170.8	0	0	0	113.4	L204 L205 F221 P246 I249 L251 I259 M310	L201-L204 HydrophobicContact CD2-CD2 3.97Å; L201-L204 WeakPolarHBondContact O-CB 3.31Å; L201-L204 PolarHBondContact O-N 2.83Å; L201-L205 PolarHBondContact O-N 2.82Å; L201-F221 HydrophobicContact CD1-CD2 4.35Å; L201-F221 HydrophobicContact CD1-CG 4.45Å; L201-F221 HydrophobicContact CD2-CD2 4.35Å; L201-F221 HydrophobicContact CD2-CE1 4.04Å; L201-F221 HydrophobicContact CD2-CE2 3.84Å; L201-F221 HydrophobicContact CD2-CZ 3.67Å; L201-P246 HydrophobicContact CB-CB 3.97Å; L201-P246 WeakPolarHBondContact CB-O 3.38Å; L201-P246 PolarHBondContact N-O 2.81Å; L201-I249 HydrophobicContact CD1-CB 3.82Å; L201-I249 HydrophobicContact CD1-CD1 4.12Å; L201-I249 HydrophobicContact CD1-CG2 3.52Å; L201-I249 HydrophobicContact CG-CB 3.91Å; L201-I249 HydrophobicContact CG-CG2 3.78Å; L201-I249 WeakPolarHBondContact CG-O 3.43Å; L201-I249 PolarHBondContact N-O 2.76Å; L201-L251 HydrophobicContact CD2-CD2 4.35Å; L201-L251 HydrophobicContact CD2-CG 4.45Å; L201-I259 HydrophobicContact CD2-CG2 4.31Å; L201-M310 HydrophobicContact CB-CE 3.99Å; L201-M310 HydrophobicContact CB-SD 3.76Å; L201-M310 HydrophobicContact CD1-CE 4.3Å; L201-M310 HydrophobicContact CD1-SD 4.11Å; L201-M310 HydrophobicContact CD2-CE 4.25Å; L201-M310 HydrophobicContact CG-CE 4.41Å; L201-M310 HydrophobicContact CG-SD 4.47Å
202	Y	96.3	Very high	95.5	Very high	86 Å²	86	45.6 Å²	45.6	34%	0.337	21%	0.209	S	C	.	.	H	α-helix	trans	-67.4	-44.3	172.8	-174.5	-96.3	0	0	0	111.5	N200 L204 L205 R206 F210 P246 E247	N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 PolarHBondContact O-N 2.8Å; N200-Y202 WeakPolarHBondContact OD1-CA 3.41Å; N200-Y202 VanDerWaalsContact OD1-CB 3.28Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.29Å; N200-Y202 PolarHBondContact OD1-N 3.03Å; Y202-L204 VanDerWaalsContact C-N 3.28Å; Y202-L204 PolarHBondContact O-N 3.37Å; Y202-L205 WeakPolarHBondContact O-CB 3.25Å; Y202-L205 PolarHBondContact O-N 2.8Å; Y202-R206 PolarHBondContact O-N 3.35Å; Y202-F210 HydrophobicContact CE2-CE1 4.26Å; Y202-P246 PolarHBondContact N-O 2.81Å; Y202-E247 HydrophobicContact CG-CG 4.27Å
203	D	94.5	Very high	95.4	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-37.1	173.9	-72.2	-39.7	0	0	0	111	N200 R206 N207	N200-D203 PolarHBondContact ND2-OD2 3.05Å; N200-D203 PolarHBondContact O-N 3.46Å; N200-D203 PolarHBondContact OD1-N 3.03Å; N200-D203 PolarHBondContact OD1-OD2 2.83Å; D203-R206 WeakPolarHBondContact O-CB 3.36Å; D203-R206 PolarHBondContact O-N 3.13Å; D203-N207 PolarHBondContact O-N 3.48Å; D203-N207 PolarHBondContact O-ND2 3.41Å; D203-N207 VanDerWaalsContact O-ND2 3.13Å; D203-N207 PolarHBondContact O-OD1 2.82Å
204	L	94.6	Very high	95.4	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-46.1	171.4	-179.3	63.5	0	0	0	111.7	N200 L201 Y202 R206 N207 T208 V213 L217 F221 L251 M310 I452	N200-L204 PolarHBondContact O-N 3.22Å; N200-L204 VanDerWaalsContact O-N 3.09Å; L201-L204 HydrophobicContact CD2-CD2 3.97Å; L201-L204 WeakPolarHBondContact O-CB 3.31Å; L201-L204 PolarHBondContact O-N 2.83Å; Y202-L204 VanDerWaalsContact C-N 3.28Å; Y202-L204 PolarHBondContact O-N 3.37Å; L204-R206 PolarHBondContact O-N 3.33Å; L204-N207 WeakPolarHBondContact O-CB 3.19Å; L204-N207 PolarHBondContact O-N 2.9Å; L204-T208 PolarHBondContact O-N 3.24Å; L204-V213 HydrophobicContact CD2-CG1 4.1Å; L204-V213 HydrophobicContact CG-CG1 4.19Å; L204-L217 HydrophobicContact CD2-CD2 4.48Å; L204-F221 HydrophobicContact CD2-CE2 3.8Å; L204-F221 HydrophobicContact CD2-CZ 3.71Å; L204-L251 HydrophobicContact CD2-CD1 4.44Å; L204-M310 HydrophobicContact CD2-CE 4.11Å; L204-I452 HydrophobicContact CD1-CD1 3.88Å
205	L	95.2	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-44	175.2	-83.1	176.9	0	0	0	112.3	L201 Y202 N207 T208 F210 E309 M310	L201-L205 PolarHBondContact O-N 2.82Å; Y202-L205 WeakPolarHBondContact O-CB 3.25Å; Y202-L205 PolarHBondContact O-N 2.8Å; L205-N207 PolarHBondContact O-N 2.83Å; L205-T208 WeakPolarHBondContact O-CA 3.31Å; L205-T208 PolarHBondContact O-N 3.3Å; L205-T208 PolarHBondContact O-OG1 2.84Å; L205-F210 HydrophobicContact CB-CD1 4.37Å; L205-F210 PolarHBondContact O-N 3.24Å; L205-E309 HydrophobicContact CD1-CG 3.77Å; L205-M310 HydrophobicContact CD1-SD 3.71Å; L205-M310 HydrophobicContact CD2-CE 4.27Å; L205-M310 WeakPolarHBondContact CD2-O 3.4Å; L205-M310 HydrophobicContact CD2-SD 4.34Å; L205-M310 HydrophobicContact CG-CE 3.99Å; L205-M310 HydrophobicContact CG-SD 3.79Å
206	R	94.5	Very high	95.3	Very high	137 Å²	137	45.7 Å²	45.7	52%	0.517	21%	0.214	S	C	.	.	H	α-helix	trans	-57.4	-39.1	175.6	-173.9	-179.9	-178.2	175.6	3.2	111.5	Y202 D203 L204 T208 N209 F210	Y202-R206 PolarHBondContact O-N 3.35Å; D203-R206 WeakPolarHBondContact O-CB 3.36Å; D203-R206 PolarHBondContact O-N 3.13Å; L204-R206 PolarHBondContact O-N 3.33Å; R206-T208 VanDerWaalsContact C-N 3.26Å; R206-T208 PolarHBondContact O-N 2.83Å; R206-N209 WeakPolarHBondContact O-CA 3.23Å; R206-N209 PolarHBondContact O-N 3.31Å; R206-F210 HydrophobicContact CB-CE1 4.37Å; R206-F210 HydrophobicContact CB-CE2 4.42Å; R206-F210 HydrophobicContact CB-CZ 3.93Å; R206-F210 HydrophobicContact CG-CE2 4.18Å; R206-F210 HydrophobicContact CG-CZ 4.04Å
207	N	92.2	Very high	95.2	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-21.8	177	-66.8	-23.8	0	0	0	113.7	D203 L204 L205 N209 I452	D203-N207 PolarHBondContact O-N 3.48Å; D203-N207 PolarHBondContact O-ND2 3.41Å; D203-N207 VanDerWaalsContact O-ND2 3.13Å; D203-N207 PolarHBondContact O-OD1 2.82Å; L204-N207 WeakPolarHBondContact O-CB 3.19Å; L204-N207 PolarHBondContact O-N 2.9Å; L205-N207 PolarHBondContact O-N 2.83Å; N207-N209 PolarHBondContact O-N 3.36Å; N207-I452 HydrophobicContact CB-CD1 3.62Å; N207-I452 HydrophobicContact CB-CG1 3.52Å; N207-I452 WeakPolarHBondContact ND2-CG1 3.33Å; N207-I452 WeakPolarHBondContact ND2-CG2 3.24Å
208	T	92.7	Very high	95.3	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.2	168.2	72.9	0	0	0	0	113.1	L204 L205 R206 F210 R211 G212 V213 L448	L204-T208 PolarHBondContact O-N 3.24Å; L205-T208 WeakPolarHBondContact O-CA 3.31Å; L205-T208 PolarHBondContact O-N 3.3Å; L205-T208 PolarHBondContact O-OG1 2.84Å; R206-T208 VanDerWaalsContact C-N 3.26Å; R206-T208 PolarHBondContact O-N 2.83Å; T208-F210 PolarHBondContact O-N 3.4Å; T208-R211 WeakPolarHBondContact O-CB 3.24Å; T208-R211 WeakPolarHBondContact O-CG 3.47Å; T208-R211 PolarHBondContact O-N 2.86Å; T208-R211 PolarHBondContact OG1-N 3.21Å; T208-G212 PolarHBondContact OG1-N 2.82Å; T208-V213 HydrophobicContact CG2-CG1 4.08Å; T208-L448 HydrophobicContact CG2-CD2 4.33Å
209	N	95.2	Very high	95.5	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.9	-166.5	-53.6	109	0	0	0	112.2	R206 N207 R211	R206-N209 WeakPolarHBondContact O-CA 3.23Å; R206-N209 PolarHBondContact O-N 3.31Å; N207-N209 PolarHBondContact O-N 3.36Å; N209-R211 PolarHBondContact O-N 2.93Å
210	F	95.5	Very high	95.8	Very high	85 Å²	85	43.9 Å²	43.9	37%	0.373	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	32.8	-175.8	-55.6	-77.6	0	0	0	113	Y202 L205 R206 T208 G212 G313	Y202-F210 HydrophobicContact CE2-CE1 4.26Å; L205-F210 HydrophobicContact CB-CD1 4.37Å; L205-F210 PolarHBondContact O-N 3.24Å; R206-F210 HydrophobicContact CB-CE1 4.37Å; R206-F210 HydrophobicContact CB-CE2 4.42Å; R206-F210 HydrophobicContact CB-CZ 3.93Å; R206-F210 HydrophobicContact CG-CE2 4.18Å; R206-F210 HydrophobicContact CG-CZ 4.04Å; T208-F210 PolarHBondContact O-N 3.4Å; F210-G212 VanDerWaalsContact C-N 3.34Å; F210-G313 WeakPolarHBondContact CB-O 3.29Å
211	R	95.1	Very high	95.9	Very high	150 Å²	150	42.6 Å²	42.6	57%	0.566	19%	0.193	S	C	*	.	S	Bend	trans	-88.3	-5.9	171.1	-63.4	178.9	175.3	-107.3	-1.1	113.8	T208 N209 R392	T208-R211 WeakPolarHBondContact O-CB 3.24Å; T208-R211 WeakPolarHBondContact O-CG 3.47Å; T208-R211 PolarHBondContact O-N 2.86Å; T208-R211 PolarHBondContact OG1-N 3.21Å; N209-R211 PolarHBondContact O-N 2.93Å; R211-R392 VanDerWaalsContact CA-NH1 3.32Å; R211-R392 PolarHBondContact O-NH2 3.25Å
212	G	96.2	Very high	95.9	Very high	4 Å²	4	42.6 Å²	42.6	4%	0.041	19%	0.193	C	C	.	.			trans	78.6	159.6	-177.5	0	0	0	0	0	112.6	T208 F210 M310 H311 R393	T208-G212 PolarHBondContact OG1-N 2.82Å; F210-G212 VanDerWaalsContact C-N 3.34Å; G212-M310 CarbonylContact C-O 3.47Å; G212-M310 VanDerWaalsContact CA-O 3.26Å; G212-M310 WeakPolarHBondContact CA-O 3.46Å; G212-H311 WeakPolarHBondContact CA-O 3.49Å; G212-R393 PolarHBondContact O-NH2 2.98Å
213	V	96.5	Very high	96	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.042	20%	0.2	C	C	.	.			trans	-87.1	164.7	173.9	-57.7	0	0	0	0	111.2	L204 T208 L217 T218 F221 M310 H311 R393	L204-V213 HydrophobicContact CD2-CG1 4.1Å; L204-V213 HydrophobicContact CG-CG1 4.19Å; T208-V213 HydrophobicContact CG2-CG1 4.08Å; V213-L217 HydrophobicContact CB-CB 4.32Å; V213-L217 HydrophobicContact CB-CD2 3.97Å; V213-L217 HydrophobicContact CB-CG 4.39Å; V213-L217 HydrophobicContact CG1-CD2 4.07Å; V213-L217 HydrophobicContact CG2-CB 4.21Å; V213-L217 HydrophobicContact CG2-CD2 4.34Å; V213-L217 HydrophobicContact CG2-CG 4.27Å; V213-T218 WeakPolarHBondContact CG2-OG1 3.28Å; V213-F221 HydrophobicContact CG2-CE2 4.48Å; V213-M310 HydrophobicContact CG1-CE 4.19Å; V213-M310 HydrophobicContact CG2-CB 4.29Å; V213-M310 HydrophobicContact CG2-CE 4.21Å; V213-M310 WeakPolarHBondContact CG2-O 3.44Å; V213-M310 PolarHBondContact N-O 3.37Å; V213-H311 PolarHBondContact O-ND1 3.3Å; V213-R393 PolarHBondContact O-NH2 3.23Å
214	S	97	Very high	96.2	Very high	18 Å²	18	41.9 Å²	41.9	13%	0.126	19%	0.191	C	C	.	.			trans	-63.3	153.6	177.5	65.2	0	0	0	0	112	N216 L217 T218	S214-N216 PolarHBondContact O-N 2.87Å; S214-L217 PolarHBondContact O-N 2.94Å; S214-L217 PolarHBondContact OG-N 2.94Å; S214-T218 PolarHBondContact O-N 3.06Å; S214-T218 PolarHBondContact O-OG1 2.67Å
215	L	97.2	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-32.5	178.5	-172.1	60.8	0	0	0	111.9	T218 R219 H399 D403 Y404 F407 F433	L215-T218 PolarHBondContact O-N 2.92Å; L215-R219 WeakPolarHBondContact O-CB 3.37Å; L215-R219 PolarHBondContact O-N 3.45Å; L215-H399 PolarHBondContact N-NE2 3.45Å; L215-D403 HydrophobicContact CD2-CB 3.71Å; L215-Y404 HydrophobicContact CD2-CD1 4.25Å; L215-Y404 HydrophobicContact CD2-CE1 4.27Å; L215-F407 HydrophobicContact CD1-CB 4.06Å; L215-F407 HydrophobicContact CD1-CD1 3.65Å; L215-F407 HydrophobicContact CD1-CD2 4.25Å; L215-F407 HydrophobicContact CD1-CE1 4.13Å; L215-F407 HydrophobicContact CD1-CG 3.73Å; L215-F433 HydrophobicContact CD1-CE2 3.96Å; L215-F433 HydrophobicContact CD1-CZ 3.97Å; L215-F433 HydrophobicContact CG-CE2 4.15Å; L215-F433 HydrophobicContact CG-CZ 4.39Å
216	N	95.9	Very high	96.5	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.214	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-41.8	173.4	-72.7	-19.1	0	0	0	112.8	S214 R219 K220	S214-N216 PolarHBondContact O-N 2.87Å; N216-R219 WeakPolarHBondContact O-CB 3.18Å; N216-R219 PolarHBondContact O-N 3.5Å; N216-R219 PolarHBondContact OD1-NH1 2.87Å; N216-K220 PolarHBondContact O-N 3.17Å
217	L	96.2	Very high	96.7	Very high	18 Å²	18	37.8 Å²	37.8	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-72.2	-40.4	176.4	-174.9	55.1	0	0	0	111.2	L204 V213 S214 R219 K220 F221	L204-L217 HydrophobicContact CD2-CD2 4.48Å; V213-L217 HydrophobicContact CB-CB 4.32Å; V213-L217 HydrophobicContact CB-CD2 3.97Å; V213-L217 HydrophobicContact CB-CG 4.39Å; V213-L217 HydrophobicContact CG1-CD2 4.07Å; V213-L217 HydrophobicContact CG2-CB 4.21Å; V213-L217 HydrophobicContact CG2-CD2 4.34Å; V213-L217 HydrophobicContact CG2-CG 4.27Å; S214-L217 PolarHBondContact O-N 2.94Å; S214-L217 PolarHBondContact OG-N 2.94Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 2.79Å; L217-K220 WeakPolarHBondContact O-CB 3.46Å; L217-K220 PolarHBondContact O-N 3.23Å; L217-K220 VanDerWaalsContact O-N 3.09Å; L217-F221 HydrophobicContact CD1-CE1 3.97Å; L217-F221 HydrophobicContact CD1-CE2 3.95Å; L217-F221 HydrophobicContact CD1-CZ 3.63Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 HydrophobicContact CD2-CZ 4.01Å; L217-F221 HydrophobicContact CG-CD2 4.18Å; L217-F221 HydrophobicContact CG-CE1 4.48Å; L217-F221 HydrophobicContact CG-CE2 3.55Å; L217-F221 HydrophobicContact CG-CZ 3.73Å; L217-F221 PolarHBondContact O-N 3.25Å
218	T	97.9	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.2	-42.3	171.5	-56.3	0	0	0	0	111.3	V213 S214 L215 K220 F221 A222 L307 H311 F407	V213-T218 WeakPolarHBondContact CG2-OG1 3.28Å; S214-T218 PolarHBondContact O-N 3.06Å; S214-T218 PolarHBondContact O-OG1 2.67Å; L215-T218 PolarHBondContact O-N 2.92Å; T218-K220 PolarHBondContact O-N 3.19Å; T218-F221 PolarHBondContact O-N 3.44Å; T218-A222 WeakPolarHBondContact O-CB 3.24Å; T218-A222 PolarHBondContact O-N 3.05Å; T218-L307 HydrophobicContact CG2-CB 4.28Å; T218-L307 HydrophobicContact CG2-CD2 4.11Å; T218-H311 HydrophobicContact CG2-CB 4.44Å; T218-F407 HydrophobicContact CG2-CE2 3.98Å; T218-F407 HydrophobicContact CG2-CZ 3.82Å
219	R	97.9	Very high	97.2	Very high	29 Å²	29	36.2 Å²	36.2	11%	0.109	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-44.2	174.7	-171.9	-178.6	-62.4	103	2.5	112.6	L215 N216 L217 F221 A222 Q223 F433 F434	L215-R219 WeakPolarHBondContact O-CB 3.37Å; L215-R219 PolarHBondContact O-N 3.45Å; N216-R219 WeakPolarHBondContact O-CB 3.18Å; N216-R219 PolarHBondContact O-N 3.5Å; N216-R219 PolarHBondContact OD1-NH1 2.87Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 2.79Å; R219-F221 PolarHBondContact O-N 3.4Å; R219-A222 PolarHBondContact O-N 2.83Å; R219-Q223 PolarHBondContact O-N 3.49Å; R219-F433 HydrophobicContact CB-CE1 3.72Å; R219-F433 HydrophobicContact CB-CE2 4.46Å; R219-F433 HydrophobicContact CB-CZ 3.63Å; R219-F433 WeakPolarHBondContact CD-O 3.45Å; R219-F433 HydrophobicContact CG-CD1 4.14Å; R219-F433 HydrophobicContact CG-CE1 3.75Å; R219-F433 HydrophobicContact CG-CZ 3.98Å; R219-F433 PolarHBondContact NE-O 2.88Å; R219-F434 HydrophobicContact CG-CD1 3.83Å; R219-F434 HydrophobicContact CG-CE1 4.09Å; R219-F434 WeakPolarHBondContact O-CE1 3.42Å
220	K	97.2	Very high	97.4	Very high	77 Å²	77	33 Å²	33	34%	0.335	15%	0.151	S	C	.	.	H	α-helix	trans	-63.7	-40.1	177	-70.9	-175.4	174.4	-167.3	0	112.6	N216 L217 T218 Q224 S257	N216-K220 PolarHBondContact O-N 3.17Å; L217-K220 WeakPolarHBondContact O-CB 3.46Å; L217-K220 PolarHBondContact O-N 3.23Å; L217-K220 VanDerWaalsContact O-N 3.09Å; T218-K220 PolarHBondContact O-N 3.19Å; K220-Q224 WeakPolarHBondContact O-CG 3.44Å; K220-Q224 PolarHBondContact O-N 2.95Å; K220-Q224 PolarHBondContact O-NE2 2.88Å; K220-S257 WeakPolarHBondContact CD-OG 3.47Å
221	F	98.1	Very high	97.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-67.2	-45.4	175.1	-64.2	-35.2	0	0	0	111.2	L201 L204 V213 L217 T218 R219 Q223 Q224 L225 L251 I259 M310	L201-F221 HydrophobicContact CD1-CD2 4.35Å; L201-F221 HydrophobicContact CD1-CG 4.45Å; L201-F221 HydrophobicContact CD2-CD2 4.35Å; L201-F221 HydrophobicContact CD2-CE1 4.04Å; L201-F221 HydrophobicContact CD2-CE2 3.84Å; L201-F221 HydrophobicContact CD2-CZ 3.67Å; L204-F221 HydrophobicContact CD2-CE2 3.8Å; L204-F221 HydrophobicContact CD2-CZ 3.71Å; V213-F221 HydrophobicContact CG2-CE2 4.48Å; L217-F221 HydrophobicContact CD1-CE1 3.97Å; L217-F221 HydrophobicContact CD1-CE2 3.95Å; L217-F221 HydrophobicContact CD1-CZ 3.63Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 HydrophobicContact CD2-CZ 4.01Å; L217-F221 HydrophobicContact CG-CD2 4.18Å; L217-F221 HydrophobicContact CG-CE1 4.48Å; L217-F221 HydrophobicContact CG-CE2 3.55Å; L217-F221 HydrophobicContact CG-CZ 3.73Å; L217-F221 PolarHBondContact O-N 3.25Å; T218-F221 PolarHBondContact O-N 3.44Å; R219-F221 PolarHBondContact O-N 3.4Å; F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.98Å; F221-Q224 PolarHBondContact O-N 2.93Å; F221-L225 WeakPolarHBondContact O-CB 3.26Å; F221-L225 VanDerWaalsContact O-CG 3.3Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.09Å; F221-L251 HydrophobicContact CE1-CD2 3.84Å; F221-L251 HydrophobicContact CZ-CD2 4.03Å; F221-I259 HydrophobicContact CD1-CD1 4.32Å; F221-I259 HydrophobicContact CD1-CG2 3.69Å; F221-I259 HydrophobicContact CE1-CG2 3.61Å; F221-M310 HydrophobicContact CD2-CE 4.21Å; F221-M310 HydrophobicContact CE2-CE 3.91Å
222	A	98.5	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.9	-45.7	176.8	0	0	0	0	0	112	T218 R219 Q224 L225 C226 L307 F433 F434	T218-A222 WeakPolarHBondContact O-CB 3.24Å; T218-A222 PolarHBondContact O-N 3.05Å; R219-A222 PolarHBondContact O-N 2.83Å; A222-Q224 PolarHBondContact O-N 2.79Å; A222-L225 PolarHBondContact O-N 3.3Å; A222-C226 WeakPolarHBondContact O-CB 3.47Å; A222-C226 PolarHBondContact O-N 3.06Å; A222-C226 PolarHBondContact O-SG 3.35Å; A222-L307 HydrophobicContact CB-CD1 3.52Å; A222-L307 HydrophobicContact CB-CD2 3.66Å; A222-L307 HydrophobicContact CB-CG 4.24Å; A222-F433 HydrophobicContact CB-CE1 4.4Å; A222-F434 HydrophobicContact CB-CE1 3.8Å; A222-F434 HydrophobicContact CB-CZ 3.71Å
223	Q	97.9	Very high	97.6	Very high	102 Å²	102	24.1 Å²	24.1	48%	0.477	12%	0.119	S	C	.	.	H	α-helix	trans	-63.1	-43.9	-180	-169.4	179.4	10.3	0	0	112.2	R219 F221 K227 L429 F434	R219-Q223 PolarHBondContact O-N 3.49Å; F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.98Å; Q223-K227 WeakPolarHBondContact O-CB 3.33Å; Q223-K227 PolarHBondContact O-N 2.8Å; Q223-K227 VanDerWaalsContact O-N 3.08Å; Q223-L429 HydrophobicContact CG-CD2 4.1Å; Q223-F434 HydrophobicContact CB-CD1 3.92Å; Q223-F434 HydrophobicContact CB-CE1 3.64Å; Q223-F434 HydrophobicContact CB-CZ 4.33Å; Q223-F434 HydrophobicContact CG-CD1 4.3Å; Q223-F434 HydrophobicContact CG-CE1 4.41Å
224	Q	98.1	Very high	97.6	Very high	17 Å²	17	24.9 Å²	24.9	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-42.8	178.9	-70	175	85.5	0	0	111.5	Y176 K220 F221 A222 K227 A228 S257 I259	Y176-Q224 HydrophobicContact CD1-CB 4.21Å; Y176-Q224 HydrophobicContact CD1-CG 4.18Å; Y176-Q224 HydrophobicContact CD2-CB 4.09Å; Y176-Q224 WeakPolarHBondContact CD2-O 3.49Å; Y176-Q224 HydrophobicContact CE1-CB 4.15Å; Y176-Q224 HydrophobicContact CE1-CG 3.68Å; Y176-Q224 HydrophobicContact CE2-CB 4.02Å; Y176-Q224 HydrophobicContact CE2-CG 4.09Å; Y176-Q224 HydrophobicContact CG-CB 4.19Å; K220-Q224 WeakPolarHBondContact O-CG 3.44Å; K220-Q224 PolarHBondContact O-N 2.95Å; K220-Q224 PolarHBondContact O-NE2 2.88Å; F221-Q224 PolarHBondContact O-N 2.93Å; A222-Q224 PolarHBondContact O-N 2.79Å; Q224-K227 PolarHBondContact O-N 3.48Å; Q224-A228 PolarHBondContact O-N 2.9Å; Q224-S257 PolarHBondContact NE2-O 3.21Å; Q224-I259 HydrophobicContact CB-CD1 3.81Å; Q224-I259 HydrophobicContact CB-CG1 3.75Å; Q224-I259 HydrophobicContact CG-CG1 4.37Å
225	L	98.6	Very high	97.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-42.5	177.7	-68.9	167.6	0	0	0	111.9	F221 A222 K227 A228 L229 I249 I259 V261 L303	F221-L225 WeakPolarHBondContact O-CB 3.26Å; F221-L225 VanDerWaalsContact O-CG 3.3Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.09Å; A222-L225 PolarHBondContact O-N 3.3Å; L225-K227 VanDerWaalsContact C-N 3.28Å; L225-K227 PolarHBondContact O-N 2.95Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.3Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 2.76Å; L225-I249 HydrophobicContact CD1-CD1 3.83Å; L225-I249 HydrophobicContact CD2-CD1 3.75Å; L225-I249 HydrophobicContact CD2-CG1 3.98Å; L225-I249 HydrophobicContact CD2-CG2 4.13Å; L225-I249 HydrophobicContact CG-CD1 4.47Å; L225-I259 HydrophobicContact CD1-CD1 4.3Å; L225-I259 HydrophobicContact CD2-CD1 3.73Å; L225-I259 HydrophobicContact CG-CD1 3.63Å; L225-V261 HydrophobicContact CD2-CG2 3.87Å; L225-L303 HydrophobicContact CB-CD1 3.62Å; L225-L303 HydrophobicContact CB-CD2 4.14Å; L225-L303 HydrophobicContact CD1-CD1 3.4Å; L225-L303 HydrophobicContact CG-CD1 4.1Å
226	C	98.4	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-37.3	173.2	-69.6	0	0	0	0	111.7	A222 L229 L230 P425 L429	A222-C226 WeakPolarHBondContact O-CB 3.47Å; A222-C226 PolarHBondContact O-N 3.06Å; A222-C226 PolarHBondContact O-SG 3.35Å; C226-L229 PolarHBondContact O-N 3.38Å; C226-L230 VanDerWaalsContact O-CB 3.31Å; C226-L230 WeakPolarHBondContact O-CB 3.29Å; C226-L230 PolarHBondContact O-N 3.39Å; C226-P425 WeakPolarHBondContact O-CB 3.39Å; C226-L429 HydrophobicContact CB-CD1 4.49Å; C226-L429 HydrophobicContact CB-CD2 3.73Å; C226-L429 HydrophobicContact CB-CG 3.78Å
227	K	97.9	Very high	97.2	Very high	65 Å²	65	32.7 Å²	32.7	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-70.2	-34.8	175.3	178.5	163.5	165.8	-146.4	0	112.8	K174 Y175 Y176 Q223 Q224 L225 F231 L429	K174-K227 WeakPolarHBondContact O-CE 3.15Å; K174-K227 PolarHBondContact O-NZ 2.8Å; Y175-K227 HydrophobicContact CD1-CG 4.05Å; Y176-K227 HydrophobicContact CD2-CB 4.26Å; Y176-K227 HydrophobicContact CD2-CG 4.27Å; Y176-K227 HydrophobicContact CE2-CB 3.85Å; Y176-K227 HydrophobicContact CE2-CD 3.73Å; Y176-K227 HydrophobicContact CE2-CG 3.78Å; Q223-K227 WeakPolarHBondContact O-CB 3.33Å; Q223-K227 PolarHBondContact O-N 2.8Å; Q223-K227 VanDerWaalsContact O-N 3.08Å; Q224-K227 PolarHBondContact O-N 3.48Å; L225-K227 VanDerWaalsContact C-N 3.28Å; L225-K227 PolarHBondContact O-N 2.95Å; K227-F231 PolarHBondContact O-N 2.82Å; K227-F231 VanDerWaalsContact O-N 3.15Å; K227-L429 HydrophobicContact CB-CD1 4.4Å
228	A	98.4	Very high	97.1	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-47.6	171.1	0	0	0	0	0	111.2	Y175 I177 Q224 L225 L230 F231 L232 V261	Y175-A228 WeakPolarHBondContact O-CA 3.49Å; Y175-A228 WeakPolarHBondContact O-CB 3.42Å; I177-A228 HydrophobicContact CD1-CB 4.16Å; Q224-A228 PolarHBondContact O-N 2.9Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.3Å; A228-L230 VanDerWaalsContact C-N 3.35Å; A228-L230 PolarHBondContact O-N 3.35Å; A228-F231 WeakPolarHBondContact O-CB 3.16Å; A228-F231 PolarHBondContact O-N 2.82Å; A228-L232 WeakPolarHBondContact O-CG 3.44Å; A228-L232 PolarHBondContact O-N 2.9Å; A228-V261 HydrophobicContact CB-CG2 4.19Å
229	L	98.4	Very high	97.1	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-36.7	177.6	-68.1	-178.1	0	0	0	112.8	L225 C226 F231 L232 S233 L244 D299 M300 L303 P425	L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 2.76Å; C226-L229 PolarHBondContact O-N 3.38Å; L229-F231 VanDerWaalsContact C-N 3.29Å; L229-F231 PolarHBondContact O-N 3.41Å; L229-L232 HydrophobicContact CD2-CD1 4.22Å; L229-L232 PolarHBondContact O-N 3.44Å; L229-S233 WeakPolarHBondContact O-CB 3.12Å; L229-S233 PolarHBondContact O-N 3.49Å; L229-S233 PolarHBondContact O-OG 3.04Å; L229-L244 HydrophobicContact CD2-CD1 3.86Å; L229-D299 HydrophobicContact CD1-CB 4.47Å; L229-D299 HydrophobicContact CD2-CB 3.78Å; L229-M300 HydrophobicContact CD1-CG 4.34Å; L229-M300 HydrophobicContact CD1-SD 3.49Å; L229-M300 WeakPolarHBondContact CD1-SD 3.34Å; L229-L303 HydrophobicContact CD1-CB 4.31Å; L229-L303 HydrophobicContact CD1-CD2 3.82Å; L229-P425 HydrophobicContact CB-CB 4.03Å; L229-P425 HydrophobicContact CB-CG 3.62Å
230	L	98	Very high	97	Very high	60 Å²	60	34.1 Å²	34.1	31%	0.314	18%	0.176	S	C	.	.	H	α-helix	trans	-59.4	-44.3	173.3	179.5	62.5	0	0	0	110.7	C226 A228 S233 A234 P425 L429	C226-L230 VanDerWaalsContact O-CB 3.31Å; C226-L230 WeakPolarHBondContact O-CB 3.29Å; C226-L230 PolarHBondContact O-N 3.39Å; A228-L230 VanDerWaalsContact C-N 3.35Å; A228-L230 PolarHBondContact O-N 3.35Å; L230-S233 WeakPolarHBondContact CA-OG 3.48Å; L230-S233 PolarHBondContact O-N 2.83Å; L230-S233 PolarHBondContact O-OG 3.32Å; L230-A234 PolarHBondContact O-N 3.43Å; L230-P425 HydrophobicContact CB-CB 3.81Å; L230-P425 HydrophobicContact CD1-CB 4.43Å; L230-L429 HydrophobicContact CB-CD1 4.42Å; L230-L429 HydrophobicContact CD2-CD1 3.78Å
231	F	98	Very high	97	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-49.1	175.4	172.2	-108.9	0	0	0	112	M166 H169 D170 Y175 I177 K227 A228 L229 S233 A234 L237	M166-F231 HydrophobicContact CB-CE1 3.97Å; M166-F231 HydrophobicContact CB-CZ 4.3Å; M166-F231 HydrophobicContact CG-CE1 4.08Å; M166-F231 WeakPolarHBondContact O-CZ 3.23Å; H169-F231 HydrophobicContact CB-CE2 3.91Å; H169-F231 HydrophobicContact CB-CZ 3.97Å; D170-F231 HydrophobicContact CB-CE2 4.32Å; D170-F231 HydrophobicContact CB-CZ 3.94Å; Y175-F231 HydrophobicContact CD1-CB 3.69Å; Y175-F231 HydrophobicContact CD1-CD2 4.16Å; Y175-F231 HydrophobicContact CD1-CG 4.1Å; Y175-F231 HydrophobicContact CD2-CB 4.38Å; Y175-F231 AromaticContact CD2-CD2 3.41Å; Y175-F231 HydrophobicContact CD2-CD2 3.41Å; Y175-F231 VanDerWaalsContact CD2-CD2 3.41Å; Y175-F231 AromaticContact CD2-CE2 3.7Å; Y175-F231 HydrophobicContact CD2-CE2 3.7Å; Y175-F231 AromaticContact CD2-CG 3.89Å; Y175-F231 HydrophobicContact CD2-CG 3.89Å; Y175-F231 HydrophobicContact CD2-CZ 4.4Å; Y175-F231 HydrophobicContact CE1-CB 4.42Å; Y175-F231 AromaticContact CE2-CD2 3.85Å; Y175-F231 HydrophobicContact CE2-CD2 3.85Å; Y175-F231 HydrophobicContact CE2-CE2 4.15Å; Y175-F231 HydrophobicContact CG-CB 3.67Å; Y175-F231 HydrophobicContact CG-CD1 4.27Å; Y175-F231 AromaticContact CG-CD2 3.59Å; Y175-F231 HydrophobicContact CG-CD2 3.59Å; Y175-F231 HydrophobicContact CG-CE2 4.27Å; Y175-F231 AromaticContact CG-CG 3.58Å; Y175-F231 HydrophobicContact CG-CG 3.58Å; I177-F231 HydrophobicContact CD1-CD1 4.49Å; I177-F231 HydrophobicContact CG1-CD1 3.87Å; I177-F231 HydrophobicContact CG1-CE1 3.92Å; K227-F231 PolarHBondContact O-N 2.82Å; K227-F231 VanDerWaalsContact O-N 3.15Å; A228-F231 WeakPolarHBondContact O-CB 3.16Å; A228-F231 PolarHBondContact O-N 2.82Å; L229-F231 VanDerWaalsContact C-N 3.29Å; L229-F231 PolarHBondContact O-N 3.41Å; F231-S233 PolarHBondContact O-N 2.68Å; F231-A234 WeakPolarHBondContact O-CB 3.43Å; F231-A234 PolarHBondContact O-N 3.05Å; F231-L237 HydrophobicContact CD1-CD1 4.05Å; F231-L237 HydrophobicContact CD2-CD1 4.05Å; F231-L237 HydrophobicContact CE1-CD1 3.64Å; F231-L237 HydrophobicContact CE2-CD1 3.65Å; F231-L237 HydrophobicContact CG-CD1 4.25Å; F231-L237 HydrophobicContact CZ-CD1 3.43Å; F231-L237 VanDerWaalsContact CZ-CD1 3.43Å; F231-L237 WeakPolarHBondContact O-CD1 3.2Å
232	L	97.4	Very high	97	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-32.1	177.1	-62.8	-176.3	0	0	0	112.8	M166 I177 A228 L229 A234 Q238 I239 H241 F264	M166-L232 HydrophobicContact CG-CD2 4.4Å; M166-L232 HydrophobicContact SD-CD2 3.29Å; M166-L232 WeakPolarHBondContact SD-CD2 3.4Å; I177-L232 HydrophobicContact CD1-CD2 4.12Å; I177-L232 HydrophobicContact CD1-CG 4.46Å; A228-L232 WeakPolarHBondContact O-CG 3.44Å; A228-L232 PolarHBondContact O-N 2.9Å; L229-L232 HydrophobicContact CD2-CD1 4.22Å; L229-L232 PolarHBondContact O-N 3.44Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 2.88Å; L232-Q238 WeakPolarHBondContact O-CA 3.41Å; L232-Q238 PolarHBondContact O-N 3.37Å; L232-I239 HydrophobicContact CB-CB 4.44Å; L232-I239 HydrophobicContact CD2-CB 4.24Å; L232-I239 HydrophobicContact CD2-CG2 4.29Å; L232-I239 PolarHBondContact O-N 2.89Å; L232-H241 HydrophobicContact CD1-CB 4.47Å; L232-F264 HydrophobicContact CD1-CE1 4.23Å; L232-F264 HydrophobicContact CD2-CE1 4.02Å; L232-F264 HydrophobicContact CD2-CZ 4.49Å
233	S	95.9	Very high	96.9	Very high	33 Å²	33	31.1 Å²	31.1	23%	0.231	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.4	178.2	73.3	0	0	0	0	115.5	L229 L230 F231 M296	L229-S233 WeakPolarHBondContact O-CB 3.12Å; L229-S233 PolarHBondContact O-N 3.49Å; L229-S233 PolarHBondContact O-OG 3.04Å; L230-S233 WeakPolarHBondContact CA-OG 3.48Å; L230-S233 PolarHBondContact O-N 2.83Å; L230-S233 PolarHBondContact O-OG 3.32Å; F231-S233 PolarHBondContact O-N 2.68Å; S233-M296 VanDerWaalsContact CA-SD 3.58Å
234	A	95.8	Very high	96.9	Very high	24 Å²	24	26.5 Å²	26.5	20%	0.198	14%	0.142	C	C	.	.	S	Bend	trans	-57.6	140.6	177.7	0	0	0	0	0	110.9	L230 F231 L232 E236 L237 Q238	L230-A234 PolarHBondContact O-N 3.43Å; F231-A234 WeakPolarHBondContact O-CB 3.43Å; F231-A234 PolarHBondContact O-N 3.05Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 2.88Å; A234-E236 PolarHBondContact O-N 3.43Å; A234-E236 VanDerWaalsContact O-N 3.09Å; A234-L237 PolarHBondContact O-N 2.89Å; A234-Q238 PolarHBondContact O-N 3.49Å
235	P	93.7	Very high	96.9	Very high	98 Å²	98	27.4 Å²	27.4	64%	0.636	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.7	-176.8	-27.6	35.7	0	0	0	114.8	L237	P235-L237 VanDerWaalsContact C-N 3.29Å; P235-L237 PolarHBondContact O-N 3.42Å
236	E	93.3	Very high	96.8	Very high	122 Å²	122	27.2 Å²	27.2	57%	0.57	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.3	179.8	-54.4	75.2	-162.5	0	0	112.8	A234	A234-E236 PolarHBondContact O-N 3.43Å; A234-E236 VanDerWaalsContact O-N 3.09Å
237	L	95.3	Very high	96.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-60.8	-177.7	-61.9	-177.6	0	0	0	111.5	L165 M166 F231 A234 P235 I239 Q269	L165-L237 HydrophobicContact CD1-CD2 4.35Å; L165-L237 HydrophobicContact CD2-CD2 3.86Å; L165-L237 HydrophobicContact CG-CD2 3.61Å; M166-L237 HydrophobicContact CG-CD1 4.32Å; M166-L237 HydrophobicContact CG-CD2 4.45Å; F231-L237 HydrophobicContact CD1-CD1 4.05Å; F231-L237 HydrophobicContact CD2-CD1 4.05Å; F231-L237 HydrophobicContact CE1-CD1 3.64Å; F231-L237 HydrophobicContact CE2-CD1 3.65Å; F231-L237 HydrophobicContact CG-CD1 4.25Å; F231-L237 HydrophobicContact CZ-CD1 3.43Å; F231-L237 VanDerWaalsContact CZ-CD1 3.43Å; F231-L237 WeakPolarHBondContact O-CD1 3.2Å; A234-L237 PolarHBondContact O-N 2.89Å; P235-L237 VanDerWaalsContact C-N 3.29Å; P235-L237 PolarHBondContact O-N 3.42Å; L237-I239 VanDerWaalsContact C-N 3.27Å; L237-I239 HydrophobicContact CB-CD1 4.16Å; L237-I239 HydrophobicContact CB-CG1 4.17Å; L237-I239 HydrophobicContact CD2-CD1 4.42Å; L237-I239 PolarHBondContact O-N 3.29Å; L237-Q269 PolarHBondContact O-NE2 2.86Å
238	Q	95.3	Very high	96.7	Very high	75 Å²	75	27.9 Å²	27.9	35%	0.35	15%	0.149	S	C	.	.			trans	45.6	49	-174	-61.9	-174.5	-26.1	0	0	112.9	L232 A234 Q269 L270 M296	L232-Q238 WeakPolarHBondContact O-CA 3.41Å; L232-Q238 PolarHBondContact O-N 3.37Å; A234-Q238 PolarHBondContact O-N 3.49Å; Q238-Q269 CarbonylContact O-C 3.53Å; Q238-Q269 WeakPolarHBondContact O-CA 3.46Å; Q238-L270 HydrophobicContact CB-CB 3.84Å; Q238-L270 PolarHBondContact O-N 2.96Å; Q238-M296 HydrophobicContact CB-SD 4.49Å
239	I	96.6	Very high	96.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.8	-175.5	-64.9	171.1	0	0	0	109.8	L162 M166 L232 L237 F264 Q269	L162-I239 HydrophobicContact CB-CD1 4.49Å; L162-I239 HydrophobicContact CD2-CD1 4.13Å; L162-I239 HydrophobicContact CD2-CG1 4.24Å; M166-I239 HydrophobicContact CE-CD1 4.44Å; M166-I239 HydrophobicContact CG-CD1 3.49Å; M166-I239 VanDerWaalsContact CG-CD1 3.49Å; M166-I239 HydrophobicContact SD-CD1 3.7Å; L232-I239 HydrophobicContact CB-CB 4.44Å; L232-I239 HydrophobicContact CD2-CB 4.24Å; L232-I239 HydrophobicContact CD2-CG2 4.29Å; L232-I239 PolarHBondContact O-N 2.89Å; L237-I239 VanDerWaalsContact C-N 3.27Å; L237-I239 HydrophobicContact CB-CD1 4.16Å; L237-I239 HydrophobicContact CB-CG1 4.17Å; L237-I239 HydrophobicContact CD2-CD1 4.42Å; L237-I239 PolarHBondContact O-N 3.29Å; I239-F264 HydrophobicContact CG2-CD1 4.36Å; I239-F264 HydrophobicContact CG2-CE1 4.45Å; I239-Q269 HydrophobicContact CG1-CG 4.19Å
240	I	97	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.8	167.9	-45.8	172.3	0	0	0	107.1	C242 S267 C268 L270 Y294 M296 I298	I240-C242 VanDerWaalsContact CG2-SG 3.5Å; I240-S267 WeakPolarHBondContact O-CA 3.19Å; I240-S267 VanDerWaalsContact O-CB 3.24Å; I240-S267 WeakPolarHBondContact O-CB 3.27Å; I240-C268 PolarHBondContact N-O 2.96Å; I240-C268 PolarHBondContact O-N 2.96Å; I240-C268 VanDerWaalsContact O-N 3.08Å; I240-L270 HydrophobicContact CD1-CD1 4.31Å; I240-Y294 HydrophobicContact CD1-CD2 4.22Å; I240-Y294 HydrophobicContact CD1-CE2 4.06Å; I240-M296 HydrophobicContact CG1-CG 3.75Å; I240-I298 HydrophobicContact CG2-CD1 3.5Å; I240-I298 HydrophobicContact CG2-CG1 3.65Å
241	H	97.2	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.			trans	-70.6	-37.2	-179.9	-174.2	-79.9	0	0	0	111.9	L232 D243 L244 V261 I262 D263 F264 S267 D299	L232-H241 HydrophobicContact CD1-CB 4.47Å; H241-D243 PolarHBondContact CE1-O 3.31Å; H241-D243 VanDerWaalsContact ND1-C 3.26Å; H241-D243 PolarHBondContact ND1-N 2.85Å; H241-D243 PolarHBondContact O-N 3.39Å; H241-L244 HydrophobicContact CB-CD2 4.49Å; H241-L244 HydrophobicContact CB-CG 4.05Å; H241-L244 PolarHBondContact ND1-N 3.48Å; H241-V261 WeakPolarHBondContact NE2-CG1 3.48Å; H241-I262 PolarHBondContact NE2-O 3.19Å; H241-D263 PolarHBondContact CE1-O 2.8Å; H241-D263 PolarHBondContact NE2-O 2.86Å; H241-F264 AromaticContact CD2-CE1 3.68Å; H241-F264 AromaticContact CD2-CZ 3.77Å; H241-S267 WeakPolarHBondContact CA-OG 3.41Å; H241-S267 PolarHBondContact O-OG 3.48Å; H241-S267 VanDerWaalsContact O-OG 3.12Å; H241-D299 WeakPolarHBondContact CB-OD2 3.37Å; H241-D299 PolarHBondContact N-OD2 2.72Å
242	C	96.8	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.152	C	C	.	.	S	Bend	trans	64.8	-7.5	175.2	-62.1	0	0	0	0	116.5	I240 S266 I278 Q279 D299	I240-C242 VanDerWaalsContact CG2-SG 3.5Å; C242-S266 WeakPolarHBondContact CB-O 3.47Å; C242-I278 HydrophobicContact CB-CB 4.42Å; C242-I278 HydrophobicContact CB-CD1 4.35Å; C242-Q279 WeakPolarHBondContact O-CA 3.48Å; C242-Q279 WeakPolarHBondContact O-CG 3.34Å; C242-Q279 PolarHBondContact O-N 3.33Å; C242-D299 PolarHBondContact N-OD1 2.96Å
243	D	96.6	Very high	96.3	Very high	15 Å²	15	31 Å²	31	8%	0.08	17%	0.17	C	C	.	.			trans	-145	45.9	175	-162.8	35.4	0	0	0	114	H241 K245 N248 S280	H241-D243 PolarHBondContact CE1-O 3.31Å; H241-D243 VanDerWaalsContact ND1-C 3.26Å; H241-D243 PolarHBondContact ND1-N 2.85Å; H241-D243 PolarHBondContact O-N 3.39Å; D243-K245 PolarHBondContact O-N 2.92Å; D243-K245 IonicContact OD1-NZ 3.67Å; D243-K245 IonicContact OD2-NZ 3.64Å; D243-K245 PolarHBondContact OD2-NZ 3.1Å; D243-N248 PolarHBondContact O-ND2 2.92Å; D243-N248 PolarHBondContact OD2-ND2 3.42Å; D243-S280 VanDerWaalsContact OD1-CB 3.28Å; D243-S280 WeakPolarHBondContact OD1-CB 3.38Å; D243-S280 PolarHBondContact OD1-N 2.83Å; D243-S280 PolarHBondContact OD1-OG 2.8Å
244	L	98.2	Very high	96	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	17%	0.171	C	C	.	.			trans	-69.6	127.5	173.3	-78.2	177.3	0	0	0	111.2	L229 H241 V261 D299 I306	L229-L244 HydrophobicContact CD2-CD1 3.86Å; H241-L244 HydrophobicContact CB-CD2 4.49Å; H241-L244 HydrophobicContact CB-CG 4.05Å; H241-L244 PolarHBondContact ND1-N 3.48Å; L244-V261 HydrophobicContact CD2-CG1 3.78Å; L244-D299 HydrophobicContact CD1-CB 3.8Å; L244-I306 HydrophobicContact CB-CD1 4.08Å
245	K	98	Very high	95.6	Very high	35 Å²	35	35.7 Å²	35.7	15%	0.152	19%	0.186	C	C	.	.			trans	-161.5	162.5	178.6	61.4	-167.2	-175.3	-149.2	0	110	D243 E247 N248 S280 Y283	D243-K245 PolarHBondContact O-N 2.92Å; D243-K245 IonicContact OD1-NZ 3.67Å; D243-K245 IonicContact OD2-NZ 3.64Å; D243-K245 PolarHBondContact OD2-NZ 3.1Å; K245-E247 WeakPolarHBondContact CB-OE2 3.33Å; K245-E247 HydrophobicContact CG-CB 4.2Å; K245-E247 VanDerWaalsContact CG-OE2 3.3Å; K245-E247 WeakPolarHBondContact CG-OE2 3.44Å; K245-E247 PolarHBondContact O-N 3.47Å; K245-E247 VanDerWaalsContact O-N 3.15Å; K245-N248 WeakPolarHBondContact CE-ND2 3.32Å; K245-N248 HydrophobicContact CG-CB 4.08Å; K245-N248 PolarHBondContact O-N 3.2Å; K245-S280 WeakPolarHBondContact CD-OG 3.49Å; K245-S280 PolarHBondContact NZ-OG 2.8Å; K245-Y283 HydrophobicContact CB-CD2 3.58Å; K245-Y283 HydrophobicContact CB-CE2 3.32Å; K245-Y283 HydrophobicContact CB-CG 4.36Å
246	P	97.9	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.8	-179.5	-25.2	36.1	0	0	0	113.6	L201 Y202 N248 I249 Y283 I306	L201-P246 HydrophobicContact CB-CB 3.97Å; L201-P246 WeakPolarHBondContact CB-O 3.38Å; L201-P246 PolarHBondContact N-O 2.81Å; Y202-P246 PolarHBondContact N-O 2.81Å; P246-N248 VanDerWaalsContact C-N 3.28Å; P246-N248 PolarHBondContact O-N 3.48Å; P246-I249 PolarHBondContact O-N 2.99Å; P246-Y283 WeakPolarHBondContact CD-OH 3.4Å; P246-Y283 HydrophobicContact CG-CE1 4.35Å; P246-I306 HydrophobicContact CG-CG1 4.42Å; P246-I306 HydrophobicContact CG-CG2 4.41Å
247	E	96	Very high	95.6	Very high	70 Å²	70	35.2 Å²	35.2	33%	0.327	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-67	-26.1	176.8	-58	94	139.1	0	0	113.5	N200 Y202 K245 L250	N200-E247 WeakPolarHBondContact CB-O 3.23Å; Y202-E247 HydrophobicContact CG-CG 4.27Å; K245-E247 WeakPolarHBondContact CB-OE2 3.33Å; K245-E247 HydrophobicContact CG-CB 4.2Å; K245-E247 VanDerWaalsContact CG-OE2 3.3Å; K245-E247 WeakPolarHBondContact CG-OE2 3.44Å; K245-E247 PolarHBondContact O-N 3.47Å; K245-E247 VanDerWaalsContact O-N 3.15Å; E247-L250 WeakPolarHBondContact O-CD1 3.45Å
248	N	97.5	Very high	95.7	Very high	10 Å²	10	37 Å²	37	5%	0.053	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-98.6	13.8	-177.8	-72	-6.4	0	0	0	113	D243 K245 P246 I262	D243-N248 PolarHBondContact O-ND2 2.92Å; D243-N248 PolarHBondContact OD2-ND2 3.42Å; K245-N248 WeakPolarHBondContact CE-ND2 3.32Å; K245-N248 HydrophobicContact CG-CB 4.08Å; K245-N248 PolarHBondContact O-N 3.2Å; P246-N248 VanDerWaalsContact C-N 3.28Å; P246-N248 PolarHBondContact O-N 3.48Å; N248-I262 HydrophobicContact CB-CG1 4.19Å; N248-I262 WeakPolarHBondContact O-CG1 3.08Å; N248-I262 PolarHBondContact O-N 3.05Å
249	I	98.4	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	112	175.1	-57.5	160.5	0	0	0	107.5	N200 L201 L225 P246 I259 I306	N200-I249 CarbonylContact C-O 3.23Å; N200-I249 VanDerWaalsContact CA-O 3.24Å; N200-I249 WeakPolarHBondContact CA-O 3.3Å; L201-I249 HydrophobicContact CD1-CB 3.82Å; L201-I249 HydrophobicContact CD1-CD1 4.12Å; L201-I249 HydrophobicContact CD1-CG2 3.52Å; L201-I249 HydrophobicContact CG-CB 3.91Å; L201-I249 HydrophobicContact CG-CG2 3.78Å; L201-I249 WeakPolarHBondContact CG-O 3.43Å; L201-I249 PolarHBondContact N-O 2.76Å; L225-I249 HydrophobicContact CD1-CD1 3.83Å; L225-I249 HydrophobicContact CD2-CD1 3.75Å; L225-I249 HydrophobicContact CD2-CG1 3.98Å; L225-I249 HydrophobicContact CD2-CG2 4.13Å; L225-I249 HydrophobicContact CG-CD1 4.47Å; P246-I249 PolarHBondContact O-N 2.99Å; I249-I259 HydrophobicContact CG2-CB 3.95Å; I249-I259 HydrophobicContact CG2-CD1 3.71Å; I249-I259 HydrophobicContact CG2-CG1 4.41Å; I249-I259 HydrophobicContact CG2-CG2 4.11Å; I249-I306 HydrophobicContact CD1-CD1 4.07Å; I249-I306 HydrophobicContact CD1-CG2 4.26Å
250	L	97.9	Very high	95.9	Very high	28 Å²	28	34 Å²	34	15%	0.147	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.3	-174.5	-83.9	64.4	0	0	0	111.3	L197 N200 E247 I259 K260 I262	L197-L250 HydrophobicContact CB-CB 3.94Å; L197-L250 HydrophobicContact CB-CD2 3.81Å; L197-L250 HydrophobicContact CD1-CB 3.82Å; L197-L250 HydrophobicContact CD1-CD2 4.19Å; N200-L250 HydrophobicContact CB-CD1 3.69Å; N200-L250 HydrophobicContact CB-CG 4.07Å; E247-L250 WeakPolarHBondContact O-CD1 3.45Å; L250-I259 CarbonylContact O-C 3.59Å; L250-I259 WeakPolarHBondContact O-CA 3.3Å; L250-K260 PolarHBondContact N-O 3.36Å; L250-K260 PolarHBondContact O-N 2.88Å; L250-I262 HydrophobicContact CD1-CD1 3.37Å; L250-I262 HydrophobicContact CD1-CG1 3.71Å; L250-I262 HydrophobicContact CD1-CG2 4.11Å; L250-I262 HydrophobicContact CD2-CD1 4.22Å; L250-I262 HydrophobicContact CD2-CG2 4.38Å; L250-I262 HydrophobicContact CG-CD1 4.44Å
251	L	97.3	Very high	96	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	139	169.2	-65.8	168.2	0	0	0	110.1	S198 Y199 L201 L204 F221 N253 A258 I259	S198-L251 WeakPolarHBondContact CA-O 3.38Å; S198-L251 VanDerWaalsContact CB-O 3.22Å; S198-L251 WeakPolarHBondContact CB-O 3.24Å; S198-L251 PolarHBondContact N-O 3.14Å; Y199-L251 PolarHBondContact O-N 2.7Å; L201-L251 HydrophobicContact CD2-CD2 4.35Å; L201-L251 HydrophobicContact CD2-CG 4.45Å; L204-L251 HydrophobicContact CD2-CD1 4.44Å; F221-L251 HydrophobicContact CE1-CD2 3.84Å; F221-L251 HydrophobicContact CZ-CD2 4.03Å; L251-N253 VanDerWaalsContact C-N 3.3Å; L251-A258 CarbonylContact C-O 3.32Å; L251-A258 WeakPolarHBondContact CA-O 3.39Å; L251-I259 HydrophobicContact CD2-CG2 3.74Å
252	C	95.5	Very high	96	Very high	50 Å²	50	36 Å²	36	34%	0.338	18%	0.182	S	C	.	.	S	Bend	trans	-70.6	-30.3	172.3	-56	0	0	0	0	111.9	A258	C252-A258 HydrophobicContact CB-CB 4.14Å; C252-A258 PolarHBondContact N-O 3.26Å
253	N	92.4	Very high	95.8	Very high	72 Å²	72	37.3 Å²	37.3	39%	0.385	19%	0.189	S	C	.	.	S	Bend	trans	-147.1	136.4	-179.5	-177.8	-63.2	0	0	0	108.9	L251 K255 R256	L251-N253 VanDerWaalsContact C-N 3.3Å; N253-K255 PolarHBondContact O-N 2.72Å; N253-K255 PolarHBondContact OD1-N 2.85Å; N253-R256 HydrophobicContact CB-CB 4.12Å; N253-R256 HydrophobicContact CB-CG 4.14Å; N253-R256 PolarHBondContact O-N 3.25Å; N253-R256 VanDerWaalsContact O-N 3.13Å; N253-R256 VanDerWaalsContact O-O 3.08Å
254	P	89.2	Confident	95.7	Very high	40 Å²	40	36.6 Å²	36.6	26%	0.26	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23	-178.4	24	-34.3	0	0	0	113.9	S198 Y199 V453	S198-P254 WeakPolarHBondContact OG-CD 3.38Å; Y199-P254 HydrophobicContact CD2-CB 4.42Å; Y199-P254 HydrophobicContact CE2-CB 3.89Å; P254-V453 HydrophobicContact CB-CG2 4.37Å
255	K	88.6	Confident	95.3	Very high	116 Å²	116	36.8 Å²	36.8	50%	0.504	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	6.2	-178.3	-48.7	-168.1	176.8	-177.9	0	114.8	N253 I449	N253-K255 PolarHBondContact O-N 2.72Å; N253-K255 PolarHBondContact OD1-N 2.85Å; K255-I449 HydrophobicContact CB-CG2 3.71Å; K255-I449 HydrophobicContact CD-CG2 4.37Å; K255-I449 HydrophobicContact CG-CG2 3.56Å
256	R	92.6	Very high	94.9	Very high	179 Å²	179	37.5 Å²	37.5	68%	0.675	20%	0.198	S	C	*	.	S	Bend	trans	-131.4	154.1	-177.9	-60.4	-65.3	-142.8	-102.5	0	110.2	N253 A258	N253-R256 HydrophobicContact CB-CB 4.12Å; N253-R256 HydrophobicContact CB-CG 4.14Å; N253-R256 PolarHBondContact O-N 3.25Å; N253-R256 VanDerWaalsContact O-N 3.13Å; N253-R256 VanDerWaalsContact O-O 3.08Å; R256-A258 VanDerWaalsContact C-N 3.28Å; R256-A258 PolarHBondContact O-N 2.86Å
257	S	94.3	Very high	94.7	Very high	31 Å²	31	37.7 Å²	37.7	22%	0.217	20%	0.2	C	C	.	.			trans	-85.2	4.9	179.2	62.2	0	0	0	0	114.2	K220 Q224	K220-S257 WeakPolarHBondContact CD-OG 3.47Å; Q224-S257 PolarHBondContact NE2-O 3.21Å
258	A	96.9	Very high	94.5	Very high	39 Å²	39	35 Å²	35	32%	0.322	19%	0.189	S	C	.	.			trans	-69.3	130.5	179	0	0	0	0	0	109.3	L251 C252 R256	L251-A258 CarbonylContact C-O 3.32Å; L251-A258 WeakPolarHBondContact CA-O 3.39Å; C252-A258 HydrophobicContact CB-CB 4.14Å; C252-A258 PolarHBondContact N-O 3.26Å; R256-A258 VanDerWaalsContact C-N 3.28Å; R256-A258 PolarHBondContact O-N 2.86Å
259	I	98.2	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.6	-177.8	54.4	165.5	0	0	0	112.2	Y176 L201 F221 Q224 L225 I249 L250 L251	Y176-I259 WeakPolarHBondContact CB-O 3.39Å; Y176-I259 WeakPolarHBondContact CD1-O 3.35Å; L201-I259 HydrophobicContact CD2-CG2 4.31Å; F221-I259 HydrophobicContact CD1-CD1 4.32Å; F221-I259 HydrophobicContact CD1-CG2 3.69Å; F221-I259 HydrophobicContact CE1-CG2 3.61Å; Q224-I259 HydrophobicContact CB-CD1 3.81Å; Q224-I259 HydrophobicContact CB-CG1 3.75Å; Q224-I259 HydrophobicContact CG-CG1 4.37Å; L225-I259 HydrophobicContact CD1-CD1 4.3Å; L225-I259 HydrophobicContact CD2-CD1 3.73Å; L225-I259 HydrophobicContact CG-CD1 3.63Å; I249-I259 HydrophobicContact CG2-CB 3.95Å; I249-I259 HydrophobicContact CG2-CD1 3.71Å; I249-I259 HydrophobicContact CG2-CG1 4.41Å; I249-I259 HydrophobicContact CG2-CG2 4.11Å; L250-I259 CarbonylContact O-C 3.59Å; L250-I259 WeakPolarHBondContact O-CA 3.3Å; L251-I259 HydrophobicContact CD2-CG2 3.74Å
260	K	98.4	Very high	93.6	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.1	163.6	-70	-169.7	170.6	-141.4	0	111.3	Y176 I177 E195 L197 L250	Y176-K260 CarbonylContact O-C 3.4Å; Y176-K260 WeakPolarHBondContact O-CA 3.15Å; I177-K260 WeakPolarHBondContact O-CD 3.47Å; I177-K260 PolarHBondContact O-NZ 2.82Å; E195-K260 VanDerWaalsContact OE1-CD 3.29Å; E195-K260 WeakPolarHBondContact OE1-CD 3.48Å; E195-K260 WeakPolarHBondContact OE1-CE 3.34Å; E195-K260 IonicContact OE1-NZ 3.91Å; E195-K260 PolarHBondContact OE1-NZ 3.12Å; E195-K260 WeakPolarHBondContact OE2-CE 3.28Å; E195-K260 IonicContact OE2-NZ 2.7Å; E195-K260 PolarHBondContact OE2-NZ 2.8Å; L197-K260 HydrophobicContact CD1-CB 3.93Å; L197-K260 HydrophobicContact CD2-CD 4.18Å; L250-K260 PolarHBondContact N-O 3.36Å; L250-K260 PolarHBondContact O-N 2.88Å
261	V	98.4	Very high	92.9	Very high	4 Å²	4	41 Å²	41	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.3	171.6	-177.7	0	0	0	0	108.8	Y176 I177 V178 L225 A228 H241 L244 F264	Y176-V261 PolarHBondContact O-N 3.21Å; I177-V261 HydrophobicContact CD1-CB 4.36Å; V178-V261 PolarHBondContact N-O 3.47Å; V178-V261 VanDerWaalsContact N-O 3.09Å; L225-V261 HydrophobicContact CD2-CG2 3.87Å; A228-V261 HydrophobicContact CB-CG2 4.19Å; H241-V261 WeakPolarHBondContact NE2-CG1 3.48Å; L244-V261 HydrophobicContact CD2-CG1 3.78Å; V261-F264 HydrophobicContact CG1-CE2 4.29Å; V261-F264 HydrophobicContact CG1-CZ 4.08Å
262	I	96.9	Very high	92	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.195	26%	0.258	C	S	.	.			trans	-123.3	173.3	-179.6	70	157.8	0	0	0	111.1	V178 L197 H241 N248 L250	V178-I262 HydrophobicContact CB-CG2 4.03Å; V178-I262 HydrophobicContact CG1-CB 4.5Å; V178-I262 HydrophobicContact CG1-CG2 4.37Å; V178-I262 HydrophobicContact CG2-CG2 4.24Å; L197-I262 HydrophobicContact CD1-CG2 3.92Å; H241-I262 PolarHBondContact NE2-O 3.19Å; N248-I262 HydrophobicContact CB-CG1 4.19Å; N248-I262 WeakPolarHBondContact O-CG1 3.08Å; N248-I262 PolarHBondContact O-N 3.05Å; L250-I262 HydrophobicContact CD1-CD1 3.37Å; L250-I262 HydrophobicContact CD1-CG1 3.71Å; L250-I262 HydrophobicContact CD1-CG2 4.11Å; L250-I262 HydrophobicContact CD2-CD1 4.22Å; L250-I262 HydrophobicContact CD2-CG2 4.38Å; L250-I262 HydrophobicContact CG-CD1 4.44Å
263	D	93.4	Very high	91.1	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.15	26%	0.259	C	S	.	.			trans	64.7	73.9	170.1	-160.3	17.9	0	0	0	114.7	K144 H241 G265	K144-D263 IonicContact NZ-OD1 2.8Å; K144-D263 PolarHBondContact NZ-OD1 2.81Å; K144-D263 VanDerWaalsContact NZ-OD1 3.14Å; H241-D263 PolarHBondContact CE1-O 2.8Å; H241-D263 PolarHBondContact NE2-O 2.86Å; D263-G265 PolarHBondContact O-N 3.27Å
264	F	94.7	Very high	90.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-87.5	16.5	174.7	-69.2	-100.7	0	0	0	112.1	E159 L163 M166 I177 L232 I239 H241 V261 S266 S267	E159-F264 HydrophobicContact CG-CB 4.08Å; E159-F264 PolarHBondContact OE1-N 3.46Å; L163-F264 HydrophobicContact CD2-CD2 3.85Å; L163-F264 HydrophobicContact CD2-CE2 4.33Å; L163-F264 HydrophobicContact CD2-CG 4.46Å; M166-F264 HydrophobicContact CE-CD1 3.49Å; M166-F264 VanDerWaalsContact CE-CD1 3.49Å; M166-F264 HydrophobicContact CE-CD2 4.03Å; M166-F264 HydrophobicContact CE-CE1 3.52Å; M166-F264 HydrophobicContact CE-CE2 4.06Å; M166-F264 HydrophobicContact CE-CG 3.78Å; M166-F264 HydrophobicContact CE-CZ 3.84Å; M166-F264 HydrophobicContact SD-CD1 4.15Å; M166-F264 HydrophobicContact SD-CE1 3.66Å; M166-F264 HydrophobicContact SD-CZ 4.04Å; I177-F264 HydrophobicContact CD1-CZ 4.09Å; I177-F264 HydrophobicContact CG2-CE2 3.81Å; I177-F264 HydrophobicContact CG2-CZ 3.85Å; L232-F264 HydrophobicContact CD1-CE1 4.23Å; L232-F264 HydrophobicContact CD2-CE1 4.02Å; L232-F264 HydrophobicContact CD2-CZ 4.49Å; I239-F264 HydrophobicContact CG2-CD1 4.36Å; I239-F264 HydrophobicContact CG2-CE1 4.45Å; H241-F264 AromaticContact CD2-CE1 3.68Å; H241-F264 AromaticContact CD2-CZ 3.77Å; V261-F264 HydrophobicContact CG1-CE2 4.29Å; V261-F264 HydrophobicContact CG1-CZ 4.08Å; F264-S266 PolarHBondContact O-N 3.4Å; F264-S267 VanDerWaalsContact CA-OG 3.22Å; F264-S267 WeakPolarHBondContact CA-OG 3.47Å; F264-S267 WeakPolarHBondContact CB-OG 3.24Å; F264-S267 VanDerWaalsContact CD1-OG 3.29Å; F264-S267 WeakPolarHBondContact CD1-OG 3.21Å; F264-S267 WeakPolarHBondContact O-CB 3.41Å; F264-S267 PolarHBondContact O-N 3.36Å; F264-S267 VanDerWaalsContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.15Å
265	G	89.5	Confident	89.9	Confident	11 Å²	11	53.2 Å²	53.2	11%	0.113	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-68.2	-8.5	179	0	0	0	0	0	114.3	Q155 D263	Q155-G265 WeakPolarHBondContact CG-O 3.49Å; Q155-G265 PolarHBondContact NE2-O 3.43Å; D263-G265 PolarHBondContact O-N 3.27Å
266	S	89.4	Confident	89.5	Confident	50 Å²	50	55.9 Å²	55.9	35%	0.35	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-115.2	0.4	171.1	-59.3	0	0	0	0	112.9	C242 F264	C242-S266 WeakPolarHBondContact CB-O 3.47Å; F264-S266 PolarHBondContact O-N 3.4Å
267	S	92.6	Very high	89.2	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.028	28%	0.284	C	S	.	.			trans	-75	153.7	-170.9	-55.6	0	0	0	0	112	I240 H241 F264	I240-S267 WeakPolarHBondContact O-CA 3.19Å; I240-S267 VanDerWaalsContact O-CB 3.24Å; I240-S267 WeakPolarHBondContact O-CB 3.27Å; H241-S267 WeakPolarHBondContact CA-OG 3.41Å; H241-S267 PolarHBondContact O-OG 3.48Å; H241-S267 VanDerWaalsContact O-OG 3.12Å; F264-S267 VanDerWaalsContact CA-OG 3.22Å; F264-S267 WeakPolarHBondContact CA-OG 3.47Å; F264-S267 WeakPolarHBondContact CB-OG 3.24Å; F264-S267 VanDerWaalsContact CD1-OG 3.29Å; F264-S267 WeakPolarHBondContact CD1-OG 3.21Å; F264-S267 WeakPolarHBondContact O-CB 3.41Å; F264-S267 PolarHBondContact O-N 3.36Å; F264-S267 VanDerWaalsContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.15Å
268	C	92.2	Very high	89.1	Confident	14 Å²	14	53 Å²	53	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.9	174.2	61.6	0	0	0	0	110.9	I240	I240-C268 PolarHBondContact N-O 2.96Å; I240-C268 PolarHBondContact O-N 2.96Å; I240-C268 VanDerWaalsContact O-N 3.08Å
269	Q	90.3	Very high	89.1	Confident	34 Å²	34	51.7 Å²	51.7	16%	0.159	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	151.3	167.7	-64.5	-173.8	-79.8	0	0	110.5	L162 L237 Q238 I239 G271 Q272	L162-Q269 HydrophobicContact CD2-CG 3.75Å; L237-Q269 PolarHBondContact O-NE2 2.86Å; Q238-Q269 CarbonylContact O-C 3.53Å; Q238-Q269 WeakPolarHBondContact O-CA 3.46Å; I239-Q269 HydrophobicContact CG1-CG 4.19Å; Q269-G271 PolarHBondContact O-N 2.99Å; Q269-Q272 PolarHBondContact O-N 2.8Å
270	L	86.2	Confident	89	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.288	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	132.3	170.5	-158.8	77.6	0	0	0	109.9	Q238 I240 Q272 D295	Q238-L270 HydrophobicContact CB-CB 3.84Å; Q238-L270 PolarHBondContact O-N 2.96Å; I240-L270 HydrophobicContact CD1-CD1 4.31Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.39Å; L270-D295 HydrophobicContact CD1-CB 3.97Å
271	G	83.1	Confident	88.9	Confident	74 Å²	74	56.7 Å²	56.7	76%	0.763	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-15.4	-175.2	0	0	0	0	0	115.5	Q269	Q269-G271 PolarHBondContact O-N 2.99Å
272	Q	80.1	Confident	88.9	Confident	105 Å²	105	59.7 Å²	59.7	49%	0.491	30%	0.301	S	S	.	.			trans	-110.8	41.3	175.2	-63.3	179.9	9.6	0	0	111.5	Q269 L270 I274	Q269-Q272 PolarHBondContact O-N 2.8Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.39Å; Q272-I274 PolarHBondContact O-N 3.24Å
273	R	76.6	Confident	89	Confident	96 Å²	96	58.3 Å²	58.3	36%	0.362	29%	0.294	S	S	.	.			trans	-79.5	114.4	-176.1	-58.9	174	-165.2	166.4	-2	109.6	Y294	R273-Y294 HydrophobicContact CG-CE2 4.29Å; R273-Y294 PolarHBondContact NE-O 3.32Å; R273-Y294 VanDerWaalsContact NE-O 3.09Å; R273-Y294 PolarHBondContact NH1-O 3.05Å; R273-Y294 PolarHBondContact NH2-O 2.77Å; R273-Y294 VanDerWaalsContact NH2-O 3.15Å
274	I	74.5	Confident	89.3	Confident	111 Å²	111	57.1 Å²	57.1	57%	0.569	29%	0.287	S	S	*	.			trans	-96.8	-34.5	-174.2	-57	171.6	0	0	0	112	I158 Q272	I158-I274 HydrophobicContact CD1-CD1 4.38Å; Q272-I274 PolarHBondContact O-N 3.24Å
275	Y	80.6	Confident	89.5	Confident	115 Å²	115	57.1 Å²	57.1	45%	0.451	29%	0.287	S	S	.	.			trans	-117.9	135.6	-165.4	-54.5	-64.5	0	0	0	112.4	Q155 Y294	Q155-Y275 PolarHBondContact OE1-OH 2.64Å; Y275-Y294 WeakPolarHBondContact O-CE1 3.43Å; Y275-Y294 PolarHBondContact O-OH 3.44Å
276	Q	80.5	Confident	89.9	Confident	171 Å²	171	56.6 Å²	56.6	80%	0.799	28%	0.282	S	S	*	.	S	Bend	trans	-86.5	-29.4	172.3	-66.1	179.9	-2.3	0	0	112.6
277	Y	87.4	Confident	90.2	Very high	136 Å²	136	54.2 Å²	54.2	53%	0.533	27%	0.265	S	S	.	.	S	Bend	trans	-98.7	96.5	177.9	-174.5	-91.8	0	0	0	109.5	R284 E322	Y277-R284 PolarHBondContact OH-NH1 3.2Å; Y277-R284 PolarHBondContact OH-NH2 3.48Å; Y277-R284 VanDerWaalsContact OH-NH2 3.12Å; Y277-E322 HydrophobicContact CE2-CG 4.4Å
278	I	91.3	Very high	90.4	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.067	27%	0.265	C	S	.	.			trans	-130.6	174.1	-177	60	167.9	0	0	0	111	C242 R284 V288 Y294 I298	C242-I278 HydrophobicContact CB-CB 4.42Å; C242-I278 HydrophobicContact CB-CD1 4.35Å; I278-R284 PolarHBondContact O-NE 2.97Å; I278-R284 PolarHBondContact O-NH2 3.03Å; I278-V288 HydrophobicContact CD1-CG2 4.02Å; I278-V288 HydrophobicContact CG1-CG1 3.75Å; I278-V288 HydrophobicContact CG1-CG2 3.9Å; I278-Y294 HydrophobicContact CD1-CD1 4.15Å; I278-Y294 HydrophobicContact CD1-CD2 3.75Å; I278-Y294 HydrophobicContact CD1-CE1 3.82Å; I278-Y294 HydrophobicContact CD1-CE2 3.39Å; I278-Y294 HydrophobicContact CD1-CG 4.13Å; I278-Y294 VanDerWaalsContact CD1-CZ 3.43Å; I278-I298 HydrophobicContact CD1-CD1 3.43Å; I278-I298 VanDerWaalsContact CD1-CD1 3.43Å
279	Q	96.3	Very high	90.7	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.056	26%	0.26	C	S	.	.	S	Bend	trans	63.8	142.2	-175.8	-56.7	173.2	-68.4	0	0	114.5	C242 R281 Y283 R284 I298 S302	C242-Q279 WeakPolarHBondContact O-CA 3.48Å; C242-Q279 WeakPolarHBondContact O-CG 3.34Å; C242-Q279 PolarHBondContact O-N 3.33Å; Q279-R281 PolarHBondContact O-N 3.15Å; Q279-Y283 PolarHBondContact NE2-O 3.19Å; Q279-R284 HydrophobicContact CB-CB 4.03Å; Q279-R284 HydrophobicContact CB-CG 4.22Å; Q279-R284 PolarHBondContact O-NE 3.36Å; Q279-R284 PolarHBondContact O-NH2 2.88Å; Q279-I298 HydrophobicContact CG-CD1 4.16Å; Q279-I298 PolarHBondContact NE2-O 2.91Å; Q279-S302 PolarHBondContact NE2-OG 3.09Å
280	S	96	Very high	91	Very high	34 Å²	34	52 Å²	52	24%	0.238	25%	0.253	C	S	.	.			trans	-61.9	134.9	164.2	-70.9	0	0	0	0	110	D243 K245 F282 Y283 R284	D243-S280 VanDerWaalsContact OD1-CB 3.28Å; D243-S280 WeakPolarHBondContact OD1-CB 3.38Å; D243-S280 PolarHBondContact OD1-N 2.83Å; D243-S280 PolarHBondContact OD1-OG 2.8Å; K245-S280 WeakPolarHBondContact CD-OG 3.49Å; K245-S280 PolarHBondContact NZ-OG 2.8Å; S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.03Å; S280-F282 VanDerWaalsContact O-N 3.11Å; S280-Y283 PolarHBondContact O-N 3.35Å; S280-R284 PolarHBondContact O-N 3.09Å
281	R	97.9	Very high	91.5	Very high	85 Å²	85	50.7 Å²	50.7	32%	0.321	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-52.8	-42	-162.5	-171	-167.1	-62.5	131.4	1.7	114.6	Q279 Y283 R284 G319 A320 Q325	Q279-R281 PolarHBondContact O-N 3.15Å; R281-Y283 PolarHBondContact O-N 2.82Å; R281-R284 WeakPolarHBondContact O-CB 3.28Å; R281-R284 PolarHBondContact O-N 3.26Å; R281-G319 WeakPolarHBondContact CD-O 3.45Å; R281-G319 PolarHBondContact NH1-O 3.48Å; R281-A320 VanDerWaalsContact CZ-O 3.27Å; R281-A320 PolarHBondContact NH1-O 3.19Å; R281-Q325 HydrophobicContact CG-CB 4.2Å; R281-Q325 HydrophobicContact CG-CG 4.23Å; R281-Q325 PolarHBondContact O-NE2 3.28Å; R281-Q325 VanDerWaalsContact O-NE2 3.17Å; R281-Q325 PolarHBondContact O-OE1 2.94Å
282	F	98.4	Very high	92	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.298	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.6	-23.6	-177.5	-63.4	-13.6	0	0	0	113.4	S280 P315 F317 G319 Q325	S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.03Å; S280-F282 VanDerWaalsContact O-N 3.11Å; F282-P315 HydrophobicContact CD2-CB 3.89Å; F282-P315 HydrophobicContact CD2-CG 3.95Å; F282-P315 HydrophobicContact CE2-CB 4.39Å; F282-P315 HydrophobicContact CE2-CG 4.11Å; F282-P315 HydrophobicContact CG-CB 4.42Å; F282-F317 WeakPolarHBondContact CA-O 3.49Å; F282-F317 WeakPolarHBondContact CB-O 3.29Å; F282-F317 WeakPolarHBondContact CD1-O 3.46Å; F282-G319 WeakPolarHBondContact CE1-O 3.36Å; F282-Q325 PolarHBondContact O-NE2 2.9Å
283	Y	98.6	Very high	92.7	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.035	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-110.2	8.8	-176.7	-41.7	-77.3	0	0	0	112.2	K245 P246 Q279 S280 R281 S302 C305 I306 E309	K245-Y283 HydrophobicContact CB-CD2 3.58Å; K245-Y283 HydrophobicContact CB-CE2 3.32Å; K245-Y283 HydrophobicContact CB-CG 4.36Å; P246-Y283 WeakPolarHBondContact CD-OH 3.4Å; P246-Y283 HydrophobicContact CG-CE1 4.35Å; Q279-Y283 PolarHBondContact NE2-O 3.19Å; S280-Y283 PolarHBondContact O-N 3.35Å; R281-Y283 PolarHBondContact O-N 2.82Å; Y283-S302 PolarHBondContact O-OG 2.79Å; Y283-C305 HydrophobicContact CD1-CB 3.9Å; Y283-I306 HydrophobicContact CD1-CG1 3.77Å; Y283-I306 HydrophobicContact CE1-CG1 3.88Å; Y283-E309 VanDerWaalsContact CE1-OE2 3.31Å; Y283-E309 WeakPolarHBondContact CE1-OE2 3.5Å; Y283-E309 PolarHBondContact OH-OE2 2.75Å; Y283-E309 VanDerWaalsContact OH-OE2 3.09Å
284	R	98.6	Very high	93.5	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.011	22%	0.218	C	C	.	.			trans	-77.5	134.5	-175.8	-175.5	177.4	-66.5	151.6	4.1	111	Y277 I278 Q279 S280 R281 V288 L289 W301 E322	Y277-R284 PolarHBondContact OH-NH1 3.2Å; Y277-R284 PolarHBondContact OH-NH2 3.48Å; Y277-R284 VanDerWaalsContact OH-NH2 3.12Å; I278-R284 PolarHBondContact O-NE 2.97Å; I278-R284 PolarHBondContact O-NH2 3.03Å; Q279-R284 HydrophobicContact CB-CB 4.03Å; Q279-R284 HydrophobicContact CB-CG 4.22Å; Q279-R284 PolarHBondContact O-NE 3.36Å; Q279-R284 PolarHBondContact O-NH2 2.88Å; S280-R284 PolarHBondContact O-N 3.09Å; R281-R284 WeakPolarHBondContact O-CB 3.28Å; R281-R284 PolarHBondContact O-N 3.26Å; R284-V288 HydrophobicContact CG-CB 3.89Å; R284-V288 HydrophobicContact CG-CG1 3.75Å; R284-L289 HydrophobicContact CG-CD2 4.37Å; R284-L289 HydrophobicContact CG-CG 4.11Å; R284-W301 PolarHBondContact O-NE1 3.27Å; R284-E322 IonicContact NH1-OE1 3.04Å
285	S	98.5	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.			trans	-77.8	158.5	-178.1	70.5	0	0	0	0	113.3	E287 V288 L289 I298	S285-E287 VanDerWaalsContact C-N 3.34Å; S285-E287 VanDerWaalsContact CB-CD 3.49Å; S285-E287 VanDerWaalsContact CB-OE1 3.25Å; S285-E287 WeakPolarHBondContact CB-OE1 3.22Å; S285-E287 PolarHBondContact O-N 3.44Å; S285-E287 WeakPolarHBondContact OG-CG 3.38Å; S285-E287 PolarHBondContact OG-OE1 3.23Å; S285-E287 PolarHBondContact OG-OE2 2.96Å; S285-V288 PolarHBondContact O-N 2.98Å; S285-V288 WeakPolarHBondContact OG-CG2 3.04Å; S285-L289 PolarHBondContact O-N 3.49Å; S285-L289 VanDerWaalsContact O-N 3.13Å; S285-I298 WeakPolarHBondContact OG-CG2 3.32Å
286	P	98.1	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-42.1	178.6	-24.8	35.4	0	0	0	112.4	V288 L289 L290 W301 Y417	P286-V288 VanDerWaalsContact C-N 3.3Å; P286-V288 PolarHBondContact O-N 3.31Å; P286-L289 WeakPolarHBondContact O-CB 3.41Å; P286-L289 PolarHBondContact O-N 3.28Å; P286-L289 VanDerWaalsContact O-N 3.13Å; P286-L290 HydrophobicContact CB-CD1 4.5Å; P286-L290 VanDerWaalsContact O-CB 3.24Å; P286-L290 WeakPolarHBondContact O-CB 3.45Å; P286-L290 VanDerWaalsContact O-CG 3.23Å; P286-L290 WeakPolarHBondContact O-CG 3.49Å; P286-L290 PolarHBondContact O-N 3.17Å; P286-W301 HydrophobicContact CG-CD2 4.43Å; P286-W301 HydrophobicContact CG-CE3 4.03Å; P286-W301 HydrophobicContact CG-CH2 3.36Å; P286-W301 HydrophobicContact CG-CZ2 3.82Å; P286-W301 HydrophobicContact CG-CZ3 3.47Å; P286-W301 VanDerWaalsContact CG-CZ3 3.47Å; P286-Y417 HydrophobicContact CB-CD1 3.97Å; P286-Y417 HydrophobicContact CB-CE1 4.29Å; P286-Y417 HydrophobicContact CG-CD1 3.73Å; P286-Y417 HydrophobicContact CG-CE1 3.96Å
287	E	97.2	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-36.7	179.4	59.2	-83.4	-170.8	0	0	112.3	S285 G291 I292 I298 R422	S285-E287 VanDerWaalsContact C-N 3.34Å; S285-E287 VanDerWaalsContact CB-CD 3.49Å; S285-E287 VanDerWaalsContact CB-OE1 3.25Å; S285-E287 WeakPolarHBondContact CB-OE1 3.22Å; S285-E287 PolarHBondContact O-N 3.44Å; S285-E287 WeakPolarHBondContact OG-CG 3.38Å; S285-E287 PolarHBondContact OG-OE1 3.23Å; S285-E287 PolarHBondContact OG-OE2 2.96Å; E287-G291 PolarHBondContact O-N 3.11Å; E287-I292 HydrophobicContact CB-CB 3.96Å; E287-I292 HydrophobicContact CB-CG2 4.37Å; E287-I292 PolarHBondContact O-N 2.71Å; E287-I298 HydrophobicContact CG-CG2 4.24Å; E287-I298 WeakPolarHBondContact OE1-CG2 3.38Å; E287-R422 IonicContact OE1-CZ 3.39Å; E287-R422 IonicContact OE1-NH1 2.86Å; E287-R422 PolarHBondContact OE1-NH1 3.33Å; E287-R422 IonicContact OE1-NH2 2.69Å; E287-R422 PolarHBondContact OE1-NH2 3.09Å; E287-R422 IonicContact OE2-CZ 2.86Å; E287-R422 IonicContact OE2-NH1 3.49Å; E287-R422 IonicContact OE2-NH2 3.67Å; E287-R422 PolarHBondContact OE2-NH2 3.02Å
288	V	97	Very high	96.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-69.5	-42.4	173.7	176.7	0	0	0	0	111.2	I278 R284 S285 P286 L290 G291 Y294 I298	I278-V288 HydrophobicContact CD1-CG2 4.02Å; I278-V288 HydrophobicContact CG1-CG1 3.75Å; I278-V288 HydrophobicContact CG1-CG2 3.9Å; R284-V288 HydrophobicContact CG-CB 3.89Å; R284-V288 HydrophobicContact CG-CG1 3.75Å; S285-V288 PolarHBondContact O-N 2.98Å; S285-V288 WeakPolarHBondContact OG-CG2 3.04Å; P286-V288 VanDerWaalsContact C-N 3.3Å; P286-V288 PolarHBondContact O-N 3.31Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.41Å; V288-G291 PolarHBondContact O-N 3.46Å; V288-Y294 HydrophobicContact CG2-CD1 4.31Å; V288-Y294 HydrophobicContact CG2-CG 4.2Å; V288-I298 HydrophobicContact CG2-CG2 4.07Å
289	L	97.8	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-40.4	176.2	-72.9	168.2	0	0	0	112.1	R284 S285 P286 G291 E322 Q325 M326 I329 R346 Y350	R284-L289 HydrophobicContact CG-CD2 4.37Å; R284-L289 HydrophobicContact CG-CG 4.11Å; S285-L289 PolarHBondContact O-N 3.49Å; S285-L289 VanDerWaalsContact O-N 3.13Å; P286-L289 WeakPolarHBondContact O-CB 3.41Å; P286-L289 PolarHBondContact O-N 3.28Å; P286-L289 VanDerWaalsContact O-N 3.13Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-E322 HydrophobicContact CD2-CB 3.94Å; L289-E322 HydrophobicContact CD2-CG 4.04Å; L289-Q325 HydrophobicContact CD1-CB 4.43Å; L289-Q325 HydrophobicContact CD1-CG 3.89Å; L289-Q325 HydrophobicContact CD2-CG 4.48Å; L289-M326 HydrophobicContact CB-CE 3.81Å; L289-M326 HydrophobicContact CD1-CE 4.06Å; L289-I329 HydrophobicContact CD1-CD1 3.82Å; L289-R346 PolarHBondContact O-NH1 2.96Å; L289-Y350 VanDerWaalsContact O-CE2 3.24Å; L289-Y350 WeakPolarHBondContact O-CE2 3.49Å; L289-Y350 PolarHBondContact O-OH 2.71Å
290	L	97.3	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-78.9	-11.3	179.9	-71	171.7	0	0	0	113.3	P286 V288 I292 M326 L340 L341 A344 P345 R346 Y350 F351	P286-L290 HydrophobicContact CB-CD1 4.5Å; P286-L290 VanDerWaalsContact O-CB 3.24Å; P286-L290 WeakPolarHBondContact O-CB 3.45Å; P286-L290 VanDerWaalsContact O-CG 3.23Å; P286-L290 WeakPolarHBondContact O-CG 3.49Å; P286-L290 PolarHBondContact O-N 3.17Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.41Å; L290-I292 VanDerWaalsContact C-N 3.3Å; L290-I292 HydrophobicContact CB-CD1 3.94Å; L290-I292 HydrophobicContact CB-CG1 3.97Å; L290-I292 HydrophobicContact CD1-CD1 3.99Å; L290-M326 HydrophobicContact CD1-CE 4.41Å; L290-M326 HydrophobicContact CD2-CE 3.99Å; L290-M326 HydrophobicContact CG-CE 3.85Å; L290-L340 HydrophobicContact CD1-CD2 4.08Å; L290-L340 HydrophobicContact CD1-CG 4.3Å; L290-L341 HydrophobicContact CD1-CD2 4.18Å; L290-L341 HydrophobicContact CD2-CD2 4.09Å; L290-A344 HydrophobicContact CB-CB 3.8Å; L290-A344 HydrophobicContact CD1-CB 4.36Å; L290-A344 HydrophobicContact CD2-CB 3.93Å; L290-A344 HydrophobicContact CG-CB 4.24Å; L290-P345 WeakPolarHBondContact O-CD 3.38Å; L290-R346 WeakPolarHBondContact O-CB 3.45Å; L290-R346 PolarHBondContact O-N 3.23Å; L290-Y350 HydrophobicContact CD2-CD2 4.07Å; L290-Y350 HydrophobicContact CD2-CE2 4.39Å; L290-F351 HydrophobicContact CD2-CE2 4.12Å
291	G	95.5	Very high	97.2	Very high	28 Å²	28	21.7 Å²	21.7	29%	0.289	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	19.4	-178.4	0	0	0	0	0	113.9	E287 V288 L289 P345	E287-G291 PolarHBondContact O-N 3.11Å; V288-G291 PolarHBondContact O-N 3.46Å; L289-G291 VanDerWaalsContact C-N 3.31Å; G291-P345 WeakPolarHBondContact O-CD 3.47Å; G291-P345 WeakPolarHBondContact O-CG 3.44Å
292	I	94.8	Very high	97.2	Very high	31 Å²	31	17.6 Å²	17.6	16%	0.159	11%	0.107	C	C	.	.			trans	-75.7	151.7	174.8	-59.7	169.8	0	0	0	108.6	E287 L290 Y294 L340 A344	E287-I292 HydrophobicContact CB-CB 3.96Å; E287-I292 HydrophobicContact CB-CG2 4.37Å; E287-I292 PolarHBondContact O-N 2.71Å; L290-I292 VanDerWaalsContact C-N 3.3Å; L290-I292 HydrophobicContact CB-CD1 3.94Å; L290-I292 HydrophobicContact CB-CG1 3.97Å; L290-I292 HydrophobicContact CD1-CD1 3.99Å; I292-Y294 PolarHBondContact O-N 3.21Å; I292-L340 HydrophobicContact CD1-CD1 3.56Å; I292-L340 HydrophobicContact CD1-CG 3.79Å; I292-A344 HydrophobicContact CD1-CB 4.02Å; I292-A344 HydrophobicContact CG1-CB 4.02Å
293	A	93	Very high	97.2	Very high	78 Å²	78	14.5 Å²	14.5	65%	0.645	9%	0.093	S	C	*	.			trans	-57.7	127	172.2	0	0	0	0	0	110.6
294	Y	94.4	Very high	97.2	Very high	19 Å²	19	14 Å²	14	8%	0.075	9%	0.092	C	C	.	.			trans	-112.3	152	-174	65.7	-96.1	0	0	0	111.5	I240 R273 Y275 I278 V288 I292 I298	I240-Y294 HydrophobicContact CD1-CD2 4.22Å; I240-Y294 HydrophobicContact CD1-CE2 4.06Å; R273-Y294 HydrophobicContact CG-CE2 4.29Å; R273-Y294 PolarHBondContact NE-O 3.32Å; R273-Y294 VanDerWaalsContact NE-O 3.09Å; R273-Y294 PolarHBondContact NH1-O 3.05Å; R273-Y294 PolarHBondContact NH2-O 2.77Å; R273-Y294 VanDerWaalsContact NH2-O 3.15Å; Y275-Y294 WeakPolarHBondContact O-CE1 3.43Å; Y275-Y294 PolarHBondContact O-OH 3.44Å; I278-Y294 HydrophobicContact CD1-CD1 4.15Å; I278-Y294 HydrophobicContact CD1-CD2 3.75Å; I278-Y294 HydrophobicContact CD1-CE1 3.82Å; I278-Y294 HydrophobicContact CD1-CE2 3.39Å; I278-Y294 HydrophobicContact CD1-CG 4.13Å; I278-Y294 VanDerWaalsContact CD1-CZ 3.43Å; V288-Y294 HydrophobicContact CG2-CD1 4.31Å; V288-Y294 HydrophobicContact CG2-CG 4.2Å; I292-Y294 PolarHBondContact O-N 3.21Å; Y294-I298 HydrophobicContact CD2-CD1 3.93Å; Y294-I298 HydrophobicContact CD2-CG2 4.21Å; Y294-I298 HydrophobicContact CE2-CD1 4.33Å; Y294-I298 HydrophobicContact CG-CG2 4.26Å
295	D	94.8	Very high	97.2	Very high	58 Å²	58	14 Å²	14	31%	0.31	9%	0.091	S	C	.	.			trans	-128.7	-155.3	175.5	63.9	16.4	0	0	0	111.4	L270 A297 I298	L270-D295 HydrophobicContact CD1-CB 3.97Å; D295-A297 PolarHBondContact O-N 2.95Å; D295-A297 WeakPolarHBondContact OD1-CB 3.4Å; D295-A297 PolarHBondContact OD1-N 3.1Å; D295-I298 WeakPolarHBondContact O-CG2 2.91Å; D295-I298 PolarHBondContact O-N 3.49Å
296	M	95.8	Very high	97.3	Very high	52 Å²	52	14 Å²	14	26%	0.256	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.1	179.1	-61	174.7	-60.2	0	0	113.1	S233 Q238 I240 I298 D299	S233-M296 VanDerWaalsContact CA-SD 3.58Å; Q238-M296 HydrophobicContact CB-SD 4.49Å; I240-M296 HydrophobicContact CG1-CG 3.75Å; M296-I298 PolarHBondContact O-N 2.88Å; M296-D299 PolarHBondContact O-N 3.39Å
297	A	98	Very high	97.3	Very high	14 Å²	14	14 Å²	14	12%	0.116	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-18.8	178.9	0	0	0	0	0	113	D295 D299 M300 W301 P419 R422	D295-A297 PolarHBondContact O-N 2.95Å; D295-A297 WeakPolarHBondContact OD1-CB 3.4Å; D295-A297 PolarHBondContact OD1-N 3.1Å; A297-D299 PolarHBondContact O-N 3.06Å; A297-M300 PolarHBondContact O-N 2.92Å; A297-W301 PolarHBondContact O-N 3.21Å; A297-P419 HydrophobicContact CB-CB 3.87Å; A297-R422 VanDerWaalsContact C-NH1 3.31Å; A297-R422 WeakPolarHBondContact O-CD 3.28Å; A297-R422 PolarHBondContact O-NH1 2.93Å
298	I	98.3	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-32.8	176.1	73.4	177	0	0	0	112	I240 I278 Q279 S285 E287 V288 Y294 D295 M296 W301 S302	I240-I298 HydrophobicContact CG2-CD1 3.5Å; I240-I298 HydrophobicContact CG2-CG1 3.65Å; I278-I298 HydrophobicContact CD1-CD1 3.43Å; I278-I298 VanDerWaalsContact CD1-CD1 3.43Å; Q279-I298 HydrophobicContact CG-CD1 4.16Å; Q279-I298 PolarHBondContact NE2-O 2.91Å; S285-I298 WeakPolarHBondContact OG-CG2 3.32Å; E287-I298 HydrophobicContact CG-CG2 4.24Å; E287-I298 WeakPolarHBondContact OE1-CG2 3.38Å; V288-I298 HydrophobicContact CG2-CG2 4.07Å; Y294-I298 HydrophobicContact CD2-CD1 3.93Å; Y294-I298 HydrophobicContact CD2-CG2 4.21Å; Y294-I298 HydrophobicContact CE2-CD1 4.33Å; Y294-I298 HydrophobicContact CG-CG2 4.26Å; D295-I298 WeakPolarHBondContact O-CG2 2.91Å; D295-I298 PolarHBondContact O-N 3.49Å; M296-I298 PolarHBondContact O-N 2.88Å; I298-W301 WeakPolarHBondContact O-CB 3.46Å; I298-W301 PolarHBondContact O-N 3.45Å; I298-S302 PolarHBondContact O-N 2.92Å; I298-S302 PolarHBondContact O-OG 3.49Å
299	D	98.6	Very high	97.4	Very high	2 Å²	2	14 Å²	14	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-75.9	-29.8	-178.2	-73.3	-29.4	0	0	0	110.9	L229 H241 C242 L244 M296 A297 S302 L303	L229-D299 HydrophobicContact CD1-CB 4.47Å; L229-D299 HydrophobicContact CD2-CB 3.78Å; H241-D299 WeakPolarHBondContact CB-OD2 3.37Å; H241-D299 PolarHBondContact N-OD2 2.72Å; C242-D299 PolarHBondContact N-OD1 2.96Å; L244-D299 HydrophobicContact CD1-CB 3.8Å; M296-D299 PolarHBondContact O-N 3.39Å; A297-D299 PolarHBondContact O-N 3.06Å; D299-S302 PolarHBondContact O-N 3.38Å; D299-L303 WeakPolarHBondContact O-CB 3.48Å; D299-L303 PolarHBondContact O-N 2.6Å
300	M	98.8	Very high	97.5	Very high	4 Å²	4	14 Å²	14	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-37.2	169.7	-74.9	-59.4	-67.6	0	0	111.9	L229 A297 L303 G304 M414 I423 P425 A428	L229-M300 HydrophobicContact CD1-CG 4.34Å; L229-M300 HydrophobicContact CD1-SD 3.49Å; L229-M300 WeakPolarHBondContact CD1-SD 3.34Å; A297-M300 PolarHBondContact O-N 2.92Å; M300-L303 PolarHBondContact O-N 3.2Å; M300-L303 HydrophobicContact SD-CD2 4.25Å; M300-G304 PolarHBondContact O-N 2.98Å; M300-M414 HydrophobicContact CE-CE 3.9Å; M300-M414 HydrophobicContact CE-CG 3.96Å; M300-I423 HydrophobicContact CE-CG2 3.78Å; M300-I423 VanDerWaalsContact CE-O 3.24Å; M300-I423 WeakPolarHBondContact CE-O 3.44Å; M300-P425 HydrophobicContact CG-CG 4.26Å; M300-P425 HydrophobicContact SD-CB 4.46Å; M300-P425 HydrophobicContact SD-CG 3.83Å; M300-A428 HydrophobicContact CE-CB 3.89Å
301	W	98.9	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-48.5	171.9	175.7	-80.5	0	0	0	111.6	R284 P286 A297 I298 L303 G304 C305 F317 I329 L333 L415	R284-W301 PolarHBondContact O-NE1 3.27Å; P286-W301 HydrophobicContact CG-CD2 4.43Å; P286-W301 HydrophobicContact CG-CE3 4.03Å; P286-W301 HydrophobicContact CG-CH2 3.36Å; P286-W301 HydrophobicContact CG-CZ2 3.82Å; P286-W301 HydrophobicContact CG-CZ3 3.47Å; P286-W301 VanDerWaalsContact CG-CZ3 3.47Å; A297-W301 PolarHBondContact O-N 3.21Å; I298-W301 WeakPolarHBondContact O-CB 3.46Å; I298-W301 PolarHBondContact O-N 3.45Å; W301-L303 VanDerWaalsContact C-N 3.27Å; W301-L303 PolarHBondContact O-N 2.95Å; W301-G304 PolarHBondContact O-N 3.1Å; W301-C305 PolarHBondContact O-N 3.36Å; W301-C305 VanDerWaalsContact O-N 3.12Å; W301-C305 PolarHBondContact O-SG 3.33Å; W301-C305 VanDerWaalsContact O-SG 3.35Å; W301-F317 HydrophobicContact CZ2-CD2 4.4Å; W301-F317 AromaticContact CZ2-CE2 3.86Å; W301-F317 HydrophobicContact CZ2-CE2 3.86Å; W301-I329 HydrophobicContact CH2-CG2 3.79Å; W301-I329 HydrophobicContact CZ2-CD1 3.81Å; W301-I329 HydrophobicContact CZ2-CG1 4.05Å; W301-I329 HydrophobicContact CZ2-CG2 4.06Å; W301-L333 HydrophobicContact CH2-CD1 3.6Å; W301-L333 HydrophobicContact CZ3-CD1 4.06Å; W301-L415 HydrophobicContact CD2-CD2 3.82Å; W301-L415 HydrophobicContact CE3-CB 4.35Å; W301-L415 HydrophobicContact CE3-CD2 3.93Å; W301-L415 HydrophobicContact CG-CD2 4.31Å; W301-L415 HydrophobicContact CH2-CD2 4.4Å; W301-L415 HydrophobicContact CZ2-CD2 4.29Å; W301-L415 HydrophobicContact CZ3-CB 4.09Å; W301-L415 HydrophobicContact CZ3-CD2 4.23Å; W301-L415 WeakPolarHBondContact CZ3-O 3.36Å
302	S	98.8	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.3	-42.8	176	-61.2	0	0	0	0	111.4	Q279 Y283 I298 D299 G304 C305 I306	Q279-S302 PolarHBondContact NE2-OG 3.09Å; Y283-S302 PolarHBondContact O-OG 2.79Å; I298-S302 PolarHBondContact O-N 2.92Å; I298-S302 PolarHBondContact O-OG 3.49Å; D299-S302 PolarHBondContact O-N 3.38Å; S302-G304 PolarHBondContact O-N 3.11Å; S302-C305 WeakPolarHBondContact O-CB 3.31Å; S302-C305 PolarHBondContact O-N 3.2Å; S302-I306 WeakPolarHBondContact O-CD1 3.4Å; S302-I306 WeakPolarHBondContact O-CG1 3.49Å; S302-I306 PolarHBondContact O-N 3.01Å
303	L	98.9	Very high	97.8	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-46	175.7	178.9	58.8	0	0	0	112.1	L225 L229 D299 M300 W301 C305 I306 L307 M414	L225-L303 HydrophobicContact CB-CD1 3.62Å; L225-L303 HydrophobicContact CB-CD2 4.14Å; L225-L303 HydrophobicContact CD1-CD1 3.4Å; L225-L303 HydrophobicContact CG-CD1 4.1Å; L229-L303 HydrophobicContact CD1-CB 4.31Å; L229-L303 HydrophobicContact CD1-CD2 3.82Å; D299-L303 WeakPolarHBondContact O-CB 3.48Å; D299-L303 PolarHBondContact O-N 2.6Å; M300-L303 PolarHBondContact O-N 3.2Å; M300-L303 HydrophobicContact SD-CD2 4.25Å; W301-L303 VanDerWaalsContact C-N 3.27Å; W301-L303 PolarHBondContact O-N 2.95Å; L303-C305 VanDerWaalsContact C-N 3.29Å; L303-C305 PolarHBondContact O-N 3.36Å; L303-I306 PolarHBondContact O-N 3.09Å; L303-L307 HydrophobicContact CD1-CD1 4.02Å; L303-L307 HydrophobicContact CD1-CD2 4.02Å; L303-L307 HydrophobicContact CD1-CG 3.77Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 HydrophobicContact CG-CG 4.21Å; L303-L307 VanDerWaalsContact O-CG 3.3Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.4Å; L303-M414 HydrophobicContact CD2-CE 3.78Å; L303-M414 HydrophobicContact CG-CE 4.1Å; L303-M414 HydrophobicContact CG-SD 4.25Å
304	G	98.8	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-55.5	-44.2	175.8	0	0	0	0	0	112.5	M300 W301 S302 V308	M300-G304 PolarHBondContact O-N 2.98Å; W301-G304 PolarHBondContact O-N 3.1Å; S302-G304 PolarHBondContact O-N 3.11Å; G304-V308 PolarHBondContact O-N 3.19Å
305	C	98.9	Very high	98.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-47.1	176	-61.5	0	0	0	0	112.1	Y283 W301 S302 L303 L307 V308 E309	Y283-C305 HydrophobicContact CD1-CB 3.9Å; W301-C305 PolarHBondContact O-N 3.36Å; W301-C305 VanDerWaalsContact O-N 3.12Å; W301-C305 PolarHBondContact O-SG 3.33Å; W301-C305 VanDerWaalsContact O-SG 3.35Å; S302-C305 WeakPolarHBondContact O-CB 3.31Å; S302-C305 PolarHBondContact O-N 3.2Å; L303-C305 VanDerWaalsContact C-N 3.29Å; L303-C305 PolarHBondContact O-N 3.36Å; C305-L307 PolarHBondContact O-N 2.88Å; C305-V308 PolarHBondContact O-N 3.33Å; C305-E309 PolarHBondContact O-N 3.47Å; C305-E309 VanDerWaalsContact O-N 3.1Å
306	I	98.8	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-45.6	179.8	-69.3	162.6	0	0	0	110.8	L244 P246 I249 Y283 S302 L303 V308 E309 M310	L244-I306 HydrophobicContact CB-CD1 4.08Å; P246-I306 HydrophobicContact CG-CG1 4.42Å; P246-I306 HydrophobicContact CG-CG2 4.41Å; I249-I306 HydrophobicContact CD1-CD1 4.07Å; I249-I306 HydrophobicContact CD1-CG2 4.26Å; Y283-I306 HydrophobicContact CD1-CG1 3.77Å; Y283-I306 HydrophobicContact CE1-CG1 3.88Å; S302-I306 WeakPolarHBondContact O-CD1 3.4Å; S302-I306 WeakPolarHBondContact O-CG1 3.49Å; S302-I306 PolarHBondContact O-N 3.01Å; L303-I306 PolarHBondContact O-N 3.09Å; I306-V308 VanDerWaalsContact C-N 3.34Å; I306-V308 PolarHBondContact O-N 3.43Å; I306-E309 PolarHBondContact O-N 3.33Å; I306-M310 HydrophobicContact CG2-CG 4.07Å; I306-M310 WeakPolarHBondContact O-CB 3.01Å; I306-M310 VanDerWaalsContact O-CG 3.27Å; I306-M310 WeakPolarHBondContact O-CG 3.37Å; I306-M310 PolarHBondContact O-N 3.13Å
307	L	98.8	Very high	98.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-175.9	-68.5	-179.4	0	0	0	112.6	T218 A222 L303 C305 H311 F407 I411 M414	T218-L307 HydrophobicContact CG2-CB 4.28Å; T218-L307 HydrophobicContact CG2-CD2 4.11Å; A222-L307 HydrophobicContact CB-CD1 3.52Å; A222-L307 HydrophobicContact CB-CD2 3.66Å; A222-L307 HydrophobicContact CB-CG 4.24Å; L303-L307 HydrophobicContact CD1-CD1 4.02Å; L303-L307 HydrophobicContact CD1-CD2 4.02Å; L303-L307 HydrophobicContact CD1-CG 3.77Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 HydrophobicContact CG-CG 4.21Å; L303-L307 VanDerWaalsContact O-CG 3.3Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.4Å; C305-L307 PolarHBondContact O-N 2.88Å; L307-H311 PolarHBondContact O-N 3.06Å; L307-F407 HydrophobicContact CB-CE2 4.12Å; L307-F407 HydrophobicContact CB-CZ 4.07Å; L307-I411 HydrophobicContact CB-CD1 3.82Å; L307-I411 HydrophobicContact CD1-CD1 4.28Å; L307-M414 HydrophobicContact CD1-CE 3.99Å; L307-M414 HydrophobicContact CD1-SD 3.93Å
308	V	98.8	Very high	98.4	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-48.8	173.1	177.3	0	0	0	0	110	G304 C305 I306 M310 H311 T312 L316 I381 L382 I411	G304-V308 PolarHBondContact O-N 3.19Å; C305-V308 PolarHBondContact O-N 3.33Å; I306-V308 VanDerWaalsContact C-N 3.34Å; I306-V308 PolarHBondContact O-N 3.43Å; V308-M310 VanDerWaalsContact C-N 3.32Å; V308-M310 PolarHBondContact O-N 3.37Å; V308-H311 PolarHBondContact O-N 3.41Å; V308-T312 HydrophobicContact CG1-CG2 3.79Å; V308-T312 WeakPolarHBondContact O-CG2 3.45Å; V308-T312 PolarHBondContact O-N 3.45Å; V308-T312 PolarHBondContact O-OG1 3.03Å; V308-L316 HydrophobicContact CB-CB 4.32Å; V308-L316 HydrophobicContact CB-CD2 4.29Å; V308-L316 HydrophobicContact CG1-CB 4.21Å; V308-L316 HydrophobicContact CG1-CD1 4.13Å; V308-L316 HydrophobicContact CG1-CD2 4.47Å; V308-L316 HydrophobicContact CG1-CG 4.49Å; V308-L316 HydrophobicContact CG2-CD2 4.16Å; V308-I381 HydrophobicContact CG1-CG2 4.25Å; V308-L382 HydrophobicContact CG1-CD2 4.22Å; V308-L382 HydrophobicContact CG2-CD2 4.47Å; V308-I411 HydrophobicContact CG2-CB 4.44Å; V308-I411 HydrophobicContact CG2-CD1 3.92Å; V308-I411 HydrophobicContact CG2-CG1 3.9Å; V308-I411 HydrophobicContact CG2-CG2 3.67Å
309	E	98.6	Very high	98.3	Very high	5 Å²	5	10.7 Å²	10.7	2%	0.023	6%	0.061	C	C	.	.	H	α-helix	trans	-58.8	-40.9	178.6	176.9	170.8	175.2	0	0	112.8	L205 Y283 C305 I306 H311 G313 E314 P315	L205-E309 HydrophobicContact CD1-CG 3.77Å; Y283-E309 VanDerWaalsContact CE1-OE2 3.31Å; Y283-E309 WeakPolarHBondContact CE1-OE2 3.5Å; Y283-E309 PolarHBondContact OH-OE2 2.75Å; Y283-E309 VanDerWaalsContact OH-OE2 3.09Å; C305-E309 PolarHBondContact O-N 3.47Å; C305-E309 VanDerWaalsContact O-N 3.1Å; I306-E309 PolarHBondContact O-N 3.33Å; E309-H311 PolarHBondContact O-N 3.21Å; E309-G313 VanDerWaalsContact O-CA 3.24Å; E309-G313 WeakPolarHBondContact O-CA 3.29Å; E309-G313 PolarHBondContact O-N 3.22Å; E309-E314 WeakPolarHBondContact CA-O 3.47Å; E309-P315 WeakPolarHBondContact OE2-CA 3.22Å
310	M	98.6	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-37.5	176	-73.4	-49.8	-61.3	0	0	111.8	L201 L204 L205 G212 V213 F221 I306 V308	L201-M310 HydrophobicContact CB-CE 3.99Å; L201-M310 HydrophobicContact CB-SD 3.76Å; L201-M310 HydrophobicContact CD1-CE 4.3Å; L201-M310 HydrophobicContact CD1-SD 4.11Å; L201-M310 HydrophobicContact CD2-CE 4.25Å; L201-M310 HydrophobicContact CG-CE 4.41Å; L201-M310 HydrophobicContact CG-SD 4.47Å; L204-M310 HydrophobicContact CD2-CE 4.11Å; L205-M310 HydrophobicContact CD1-SD 3.71Å; L205-M310 HydrophobicContact CD2-CE 4.27Å; L205-M310 WeakPolarHBondContact CD2-O 3.4Å; L205-M310 HydrophobicContact CD2-SD 4.34Å; L205-M310 HydrophobicContact CG-CE 3.99Å; L205-M310 HydrophobicContact CG-SD 3.79Å; G212-M310 CarbonylContact C-O 3.47Å; G212-M310 VanDerWaalsContact CA-O 3.26Å; G212-M310 WeakPolarHBondContact CA-O 3.46Å; V213-M310 HydrophobicContact CG1-CE 4.19Å; V213-M310 HydrophobicContact CG2-CB 4.29Å; V213-M310 HydrophobicContact CG2-CE 4.21Å; V213-M310 WeakPolarHBondContact CG2-O 3.44Å; V213-M310 PolarHBondContact N-O 3.37Å; F221-M310 HydrophobicContact CD2-CE 4.21Å; F221-M310 HydrophobicContact CE2-CE 3.91Å; I306-M310 HydrophobicContact CG2-CG 4.07Å; I306-M310 WeakPolarHBondContact O-CB 3.01Å; I306-M310 VanDerWaalsContact O-CG 3.27Å; I306-M310 WeakPolarHBondContact O-CG 3.37Å; I306-M310 PolarHBondContact O-N 3.13Å; V308-M310 VanDerWaalsContact C-N 3.32Å; V308-M310 PolarHBondContact O-N 3.37Å
311	H	98.5	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-88.6	-35.9	-176.7	-167.8	51.7	0	0	0	113.9	G212 V213 T218 L307 V308 E309 P389 H399 Y404 F407	G212-H311 WeakPolarHBondContact CA-O 3.49Å; V213-H311 PolarHBondContact O-ND1 3.3Å; T218-H311 HydrophobicContact CG2-CB 4.44Å; L307-H311 PolarHBondContact O-N 3.06Å; V308-H311 PolarHBondContact O-N 3.41Å; E309-H311 PolarHBondContact O-N 3.21Å; H311-P389 WeakPolarHBondContact NE2-CD 3.15Å; H311-H399 AromaticContact CE1-CD2 3.8Å; H311-H399 AromaticContact CE1-NE2 3.83Å; H311-Y404 AromaticContact CD2-CE1 3.85Å; H311-Y404 AromaticContact NE2-CE1 3.28Å; H311-Y404 VanDerWaalsContact NE2-CE1 3.28Å; H311-Y404 WeakPolarHBondContact NE2-CE1 3.21Å; H311-Y404 AromaticContact NE2-CZ 3.61Å; H311-Y404 PolarHBondContact NE2-OH 3.08Å; H311-Y404 VanDerWaalsContact NE2-OH 3.09Å; H311-F407 HydrophobicContact CB-CE1 4.36Å
312	T	97.9	Very high	98	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.043	11%	0.111	C	C	.	.	H	α-helix	trans	-82.8	-30.6	179.4	61.7	0	0	0	0	112.2	V308 E314 I381 P389 R392	V308-T312 HydrophobicContact CG1-CG2 3.79Å; V308-T312 WeakPolarHBondContact O-CG2 3.45Å; V308-T312 PolarHBondContact O-N 3.45Å; V308-T312 PolarHBondContact O-OG1 3.03Å; T312-E314 PolarHBondContact OG1-N 3.1Å; T312-E314 PolarHBondContact OG1-O 3.04Å; T312-I381 HydrophobicContact CG2-CG2 4.16Å; T312-P389 HydrophobicContact CG2-CB 4.15Å; T312-P389 HydrophobicContact CG2-CG 3.89Å; T312-R392 PolarHBondContact O-NH2 3.28Å
313	G	97.5	Very high	97.9	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	12%	0.117	C	C	.	.	S	Bend	trans	86.6	0.8	-171	0	0	0	0	0	114.5	F210 E309	F210-G313 WeakPolarHBondContact CB-O 3.29Å; E309-G313 VanDerWaalsContact O-CA 3.24Å; E309-G313 WeakPolarHBondContact O-CA 3.29Å; E309-G313 PolarHBondContact O-N 3.22Å
314	E	96.6	Very high	97.8	Very high	105 Å²	105	19.8 Å²	19.8	49%	0.491	12%	0.117	S	C	.	.	S	Bend	trans	-132.6	142.8	-178.9	59.5	173.2	-166.3	0	0	112.2	E309 T312 L316 R376	E309-E314 WeakPolarHBondContact CA-O 3.47Å; T312-E314 PolarHBondContact OG1-N 3.1Å; T312-E314 PolarHBondContact OG1-O 3.04Å; E314-L316 PolarHBondContact O-N 3.19Å; E314-R376 IonicContact OE1-NH2 2.81Å
315	P	98.2	Very high	97.8	Very high	33 Å²	33	19.8 Å²	19.8	21%	0.214	12%	0.117	C	C	.	.			trans	-57.5	130.1	176.8	-22.4	30.3	0	0	0	112	F282 E309 F317	F282-P315 HydrophobicContact CD2-CB 3.89Å; F282-P315 HydrophobicContact CD2-CG 3.95Å; F282-P315 HydrophobicContact CE2-CB 4.39Å; F282-P315 HydrophobicContact CE2-CG 4.11Å; F282-P315 HydrophobicContact CG-CB 4.42Å; E309-P315 WeakPolarHBondContact OE2-CA 3.22Å; P315-F317 VanDerWaalsContact C-N 3.29Å; P315-F317 PolarHBondContact O-N 3.41Å
316	L	98.4	Very high	97.8	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-58.1	-42.7	-179.2	175.8	57.4	0	0	0	112.1	V308 E314 R376 I381 L415	V308-L316 HydrophobicContact CB-CB 4.32Å; V308-L316 HydrophobicContact CB-CD2 4.29Å; V308-L316 HydrophobicContact CG1-CB 4.21Å; V308-L316 HydrophobicContact CG1-CD1 4.13Å; V308-L316 HydrophobicContact CG1-CD2 4.47Å; V308-L316 HydrophobicContact CG1-CG 4.49Å; V308-L316 HydrophobicContact CG2-CD2 4.16Å; E314-L316 PolarHBondContact O-N 3.19Å; L316-R376 PolarHBondContact O-NH1 2.92Å; L316-I381 HydrophobicContact CD1-CD1 3.72Å; L316-I381 HydrophobicContact CD1-CG2 4.41Å; L316-L415 HydrophobicContact CD2-CD1 3.57Å
317	F	98.4	Very high	97.7	Very high	1 Å²	1	20 Å²	20	0%	0.004	12%	0.118	C	C	.	.	S	Bend	trans	-126.9	88	-178.8	-52.5	-57.9	0	0	0	110.8	F282 W301 P315 G319 Q325 K328 I329 V332 L333 L415	F282-F317 WeakPolarHBondContact CA-O 3.49Å; F282-F317 WeakPolarHBondContact CB-O 3.29Å; F282-F317 WeakPolarHBondContact CD1-O 3.46Å; W301-F317 HydrophobicContact CZ2-CD2 4.4Å; W301-F317 AromaticContact CZ2-CE2 3.86Å; W301-F317 HydrophobicContact CZ2-CE2 3.86Å; P315-F317 VanDerWaalsContact C-N 3.29Å; P315-F317 PolarHBondContact O-N 3.41Å; F317-G319 PolarHBondContact O-N 2.94Å; F317-Q325 PolarHBondContact O-NE2 3.33Å; F317-Q325 PolarHBondContact O-OE1 3.45Å; F317-K328 HydrophobicContact CD1-CB 4.45Å; F317-K328 WeakPolarHBondContact CD1-O 3.27Å; F317-I329 HydrophobicContact CB-CG1 4.35Å; F317-I329 HydrophobicContact CD1-CB 4.46Å; F317-I329 HydrophobicContact CD1-CG1 3.9Å; F317-I329 HydrophobicContact CD2-CG1 3.93Å; F317-I329 HydrophobicContact CE1-CB 4.35Å; F317-I329 HydrophobicContact CE1-CG1 4.11Å; F317-I329 HydrophobicContact CE2-CG1 4.14Å; F317-I329 HydrophobicContact CG-CG1 3.81Å; F317-I329 HydrophobicContact CZ-CG1 4.23Å; F317-V332 HydrophobicContact CD1-CG2 4.38Å; F317-V332 HydrophobicContact CE1-CB 3.8Å; F317-V332 HydrophobicContact CE1-CG1 4.26Å; F317-V332 HydrophobicContact CE1-CG2 3.71Å; F317-V332 HydrophobicContact CZ-CB 4.43Å; F317-L333 HydrophobicContact CZ-CD1 4.42Å; F317-L415 HydrophobicContact CE2-CD1 4.25Å; F317-L415 HydrophobicContact CE2-CD2 4.41Å; F317-L415 HydrophobicContact CZ-CD1 4.28Å
318	S	97	Very high	97.7	Very high	54 Å²	54	21.6 Å²	21.6	38%	0.378	13%	0.125	S	C	.	.			trans	-89.7	52.3	-174	54.1	0	0	0	0	114.3	K328	S318-K328 VanDerWaalsContact C-NZ 3.35Å; S318-K328 PolarHBondContact O-NZ 3.46Å
319	G	97.1	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.			trans	-65.4	129.5	-174	0	0	0	0	0	115.8	R281 F282 F317 N321 D324 Q325	R281-G319 WeakPolarHBondContact CD-O 3.45Å; R281-G319 PolarHBondContact NH1-O 3.48Å; F282-G319 WeakPolarHBondContact CE1-O 3.36Å; F317-G319 PolarHBondContact O-N 2.94Å; G319-N321 VanDerWaalsContact C-N 3.32Å; G319-N321 PolarHBondContact O-N 3.45Å; G319-D324 WeakPolarHBondContact CA-OD2 3.3Å; G319-Q325 VanDerWaalsContact CA-OE1 3.24Å
320	A	95.8	Very high	97.7	Very high	71 Å²	71	21.6 Å²	21.6	59%	0.587	13%	0.125	S	C	*	.	S	Bend	trans	-69.7	-28.6	176.4	0	0	0	0	0	113	R281 D324	R281-A320 VanDerWaalsContact CZ-O 3.27Å; R281-A320 PolarHBondContact NH1-O 3.19Å; A320-D324 HydrophobicContact CB-CB 4.48Å; A320-D324 PolarHBondContact N-OD2 3.26Å
321	N	95.9	Very high	97.6	Very high	70 Å²	70	22.6 Å²	22.6	37%	0.374	13%	0.13	S	C	.	.	S	Bend	trans	-150.2	177.5	176.8	59	57.1	0	0	0	109.3	G319 F323 D324 Q325	G319-N321 VanDerWaalsContact C-N 3.32Å; G319-N321 PolarHBondContact O-N 3.45Å; N321-F323 VanDerWaalsContact C-N 3.26Å; N321-F323 PolarHBondContact O-N 2.92Å; N321-F323 WeakPolarHBondContact OD1-CA 3.41Å; N321-F323 WeakPolarHBondContact OD1-CB 3.35Å; N321-F323 PolarHBondContact OD1-N 3.32Å; N321-D324 PolarHBondContact O-N 3.3Å; N321-D324 PolarHBondContact OD1-N 3Å; N321-Q325 WeakPolarHBondContact O-CB 3.36Å; N321-Q325 PolarHBondContact O-N 2.9Å
322	E	96.8	Very high	97.6	Very high	25 Å²	25	23 Å²	23	12%	0.117	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-35.3	-178.1	-68.8	-177.4	116.8	0	0	113.1	Y277 R284 L289 Q325 M326 R346 K349 Y350	Y277-E322 HydrophobicContact CE2-CG 4.4Å; R284-E322 IonicContact NH1-OE1 3.04Å; L289-E322 HydrophobicContact CD2-CB 3.94Å; L289-E322 HydrophobicContact CD2-CG 4.04Å; E322-Q325 PolarHBondContact O-N 3.21Å; E322-M326 PolarHBondContact O-N 3.13Å; E322-M326 VanDerWaalsContact O-N 3.11Å; E322-R346 IonicContact OE1-CZ 3.47Å; E322-R346 IonicContact OE1-NH1 3.75Å; E322-R346 PolarHBondContact OE1-NH1 2.88Å; E322-R346 IonicContact OE1-NH2 3.73Å; E322-R346 PolarHBondContact OE1-NH2 2.91Å; E322-R346 IonicContact OE2-CZ 3.02Å; E322-R346 IonicContact OE2-NH1 3.88Å; E322-R346 IonicContact OE2-NH2 3.95Å; E322-R346 PolarHBondContact OE2-NH2 3.04Å; E322-K349 IonicContact OE2-NZ 3.39Å; E322-K349 PolarHBondContact OE2-NZ 3.03Å; E322-Y350 HydrophobicContact CB-CE1 4.37Å; E322-Y350 WeakPolarHBondContact O-CE1 3.37Å
323	F	97.4	Very high	97.7	Very high	29 Å²	29	24.5 Å²	24.5	13%	0.127	14%	0.14	C	C	.	.	H	α-helix	trans	-69.2	-50.7	179.1	-177.5	-87.5	0	0	0	111.1	N321 Q325 M326 M327 K349 Y350 K362 Y370	N321-F323 VanDerWaalsContact C-N 3.26Å; N321-F323 PolarHBondContact O-N 2.92Å; N321-F323 WeakPolarHBondContact OD1-CA 3.41Å; N321-F323 WeakPolarHBondContact OD1-CB 3.35Å; N321-F323 PolarHBondContact OD1-N 3.32Å; F323-Q325 PolarHBondContact O-N 3.37Å; F323-M326 PolarHBondContact O-N 3.47Å; F323-M326 VanDerWaalsContact O-N 3.16Å; F323-M327 HydrophobicContact CD1-CG 4Å; F323-M327 HydrophobicContact CD2-CE 4.19Å; F323-M327 HydrophobicContact CE1-CE 4.12Å; F323-M327 HydrophobicContact CE1-CG 3.69Å; F323-M327 HydrophobicContact CE1-SD 4.43Å; F323-M327 HydrophobicContact CE2-CE 3.63Å; F323-M327 HydrophobicContact CZ-CE 3.59Å; F323-M327 HydrophobicContact CZ-CG 4.15Å; F323-M327 HydrophobicContact CZ-SD 4.32Å; F323-M327 WeakPolarHBondContact O-CG 3.5Å; F323-M327 PolarHBondContact O-N 3.48Å; F323-K349 WeakPolarHBondContact CD2-O 3.48Å; F323-Y350 HydrophobicContact CB-CD1 4.48Å; F323-Y350 HydrophobicContact CD2-CD1 4Å; F323-K362 HydrophobicContact CE2-CB 4Å; F323-K362 HydrophobicContact CZ-CB 4.29Å; F323-K362 WeakPolarHBondContact CZ-O 2.99Å; F323-Y370 HydrophobicContact CE1-CE2 4.05Å
324	D	97.6	Very high	97.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-33	175.7	-175.4	48.5	0	0	0	111.9	G319 A320 N321 K328 K368 Y370	G319-D324 WeakPolarHBondContact CA-OD2 3.3Å; A320-D324 HydrophobicContact CB-CB 4.48Å; A320-D324 PolarHBondContact N-OD2 3.26Å; N321-D324 PolarHBondContact O-N 3.3Å; N321-D324 PolarHBondContact OD1-N 3Å; D324-K328 WeakPolarHBondContact O-CB 3.28Å; D324-K328 WeakPolarHBondContact O-CG 3.06Å; D324-K328 PolarHBondContact O-N 3.28Å; D324-K328 IonicContact OD1-NZ 3.91Å; D324-K328 PolarHBondContact OD1-NZ 3.48Å; D324-K328 IonicContact OD2-NZ 3.49Å; D324-K328 PolarHBondContact OD2-NZ 2.87Å; D324-K368 IonicContact OD1-NZ 3.21Å; D324-K368 PolarHBondContact OD1-NZ 3.27Å; D324-K368 IonicContact OD2-NZ 3.86Å; D324-Y370 WeakPolarHBondContact OD1-CE1 3.3Å; D324-Y370 PolarHBondContact OD1-OH 3Å
325	Q	98.2	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-51.2	173.4	-174	67.4	22.3	0	0	111.5	R281 F282 L289 F317 G319 N321 E322 F323 M327 K328 I329	R281-Q325 HydrophobicContact CG-CB 4.2Å; R281-Q325 HydrophobicContact CG-CG 4.23Å; R281-Q325 PolarHBondContact O-NE2 3.28Å; R281-Q325 VanDerWaalsContact O-NE2 3.17Å; R281-Q325 PolarHBondContact O-OE1 2.94Å; F282-Q325 PolarHBondContact O-NE2 2.9Å; L289-Q325 HydrophobicContact CD1-CB 4.43Å; L289-Q325 HydrophobicContact CD1-CG 3.89Å; L289-Q325 HydrophobicContact CD2-CG 4.48Å; F317-Q325 PolarHBondContact O-NE2 3.33Å; F317-Q325 PolarHBondContact O-OE1 3.45Å; G319-Q325 VanDerWaalsContact CA-OE1 3.24Å; N321-Q325 WeakPolarHBondContact O-CB 3.36Å; N321-Q325 PolarHBondContact O-N 2.9Å; E322-Q325 PolarHBondContact O-N 3.21Å; F323-Q325 PolarHBondContact O-N 3.37Å; Q325-M327 VanDerWaalsContact C-N 3.34Å; Q325-M327 PolarHBondContact O-N 3.34Å; Q325-K328 PolarHBondContact O-N 2.97Å; Q325-I329 HydrophobicContact CG-CD1 4.23Å; Q325-I329 WeakPolarHBondContact O-CG1 3.41Å; Q325-I329 PolarHBondContact O-N 3.47Å; Q325-I329 VanDerWaalsContact O-N 3.09Å
326	M	98.3	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-44.9	178	179.9	58	74.4	0	0	111.4	L289 L290 E322 F323 K328 I329 I330 Y350 F351	L289-M326 HydrophobicContact CB-CE 3.81Å; L289-M326 HydrophobicContact CD1-CE 4.06Å; L290-M326 HydrophobicContact CD1-CE 4.41Å; L290-M326 HydrophobicContact CD2-CE 3.99Å; L290-M326 HydrophobicContact CG-CE 3.85Å; E322-M326 PolarHBondContact O-N 3.13Å; E322-M326 VanDerWaalsContact O-N 3.11Å; F323-M326 PolarHBondContact O-N 3.47Å; F323-M326 VanDerWaalsContact O-N 3.16Å; M326-K328 PolarHBondContact O-N 2.8Å; M326-I329 WeakPolarHBondContact O-CB 3.29Å; M326-I329 PolarHBondContact O-N 3.24Å; M326-I329 VanDerWaalsContact O-N 3.17Å; M326-I330 HydrophobicContact CG-CD1 3.87Å; M326-I330 WeakPolarHBondContact O-CG1 3.33Å; M326-I330 PolarHBondContact O-N 2.96Å; M326-I330 HydrophobicContact SD-CD1 4.12Å; M326-I330 HydrophobicContact SD-CG1 4.34Å; M326-Y350 HydrophobicContact CB-CD1 3.61Å; M326-Y350 HydrophobicContact CB-CE1 3.95Å; M326-Y350 HydrophobicContact CB-CG 4.16Å; M326-Y350 HydrophobicContact CE-CD2 4.49Å; M326-Y350 HydrophobicContact CG-CD1 3.88Å; M326-Y350 HydrophobicContact CG-CG 3.9Å; M326-F351 HydrophobicContact CG-CE2 4.4Å; M326-F351 HydrophobicContact CG-CZ 4.25Å; M326-F351 HydrophobicContact SD-CE2 4.45Å; M326-F351 HydrophobicContact SD-CZ 4.21Å
327	M	97.9	Very high	97.5	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-42.3	179.3	-63	-56.6	141.1	0	0	112.2	F323 Q325 I329 I330 E331 Y350 C361 Y370	F323-M327 HydrophobicContact CD1-CG 4Å; F323-M327 HydrophobicContact CD2-CE 4.19Å; F323-M327 HydrophobicContact CE1-CE 4.12Å; F323-M327 HydrophobicContact CE1-CG 3.69Å; F323-M327 HydrophobicContact CE1-SD 4.43Å; F323-M327 HydrophobicContact CE2-CE 3.63Å; F323-M327 HydrophobicContact CZ-CE 3.59Å; F323-M327 HydrophobicContact CZ-CG 4.15Å; F323-M327 HydrophobicContact CZ-SD 4.32Å; F323-M327 WeakPolarHBondContact O-CG 3.5Å; F323-M327 PolarHBondContact O-N 3.48Å; Q325-M327 VanDerWaalsContact C-N 3.34Å; Q325-M327 PolarHBondContact O-N 3.34Å; M327-I329 VanDerWaalsContact C-N 3.3Å; M327-I329 PolarHBondContact O-N 3.35Å; M327-I330 HydrophobicContact CE-CD1 4.5Å; M327-I330 PolarHBondContact O-N 3.26Å; M327-I330 VanDerWaalsContact O-N 3.15Å; M327-I330 HydrophobicContact SD-CD1 4.29Å; M327-E331 WeakPolarHBondContact O-CG 3.35Å; M327-E331 PolarHBondContact O-N 2.85Å; M327-Y350 VanDerWaalsContact CE-O 3.3Å; M327-Y350 WeakPolarHBondContact CE-O 3.14Å; M327-C361 HydrophobicContact CE-CB 4.17Å; M327-C361 HydrophobicContact SD-CB 3.9Å; M327-Y370 HydrophobicContact CB-CD1 3.47Å; M327-Y370 VanDerWaalsContact CB-CD1 3.47Å; M327-Y370 HydrophobicContact CB-CD2 3.96Å; M327-Y370 HydrophobicContact CB-CE1 3.37Å; M327-Y370 HydrophobicContact CB-CE2 3.9Å; M327-Y370 HydrophobicContact CB-CG 3.76Å; M327-Y370 HydrophobicContact CG-CD1 4.35Å; M327-Y370 HydrophobicContact CG-CD2 3.96Å; M327-Y370 HydrophobicContact CG-CE1 4.09Å; M327-Y370 HydrophobicContact CG-CE2 3.71Å; M327-Y370 HydrophobicContact CG-CG 4.28Å
328	K	98	Very high	97.3	Very high	34 Å²	34	27.6 Å²	27.6	15%	0.148	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-33	174.6	-77.3	-172.4	172	109.6	0	113.7	F317 S318 D324 Q325 M326	F317-K328 HydrophobicContact CD1-CB 4.45Å; F317-K328 WeakPolarHBondContact CD1-O 3.27Å; S318-K328 VanDerWaalsContact C-NZ 3.35Å; S318-K328 PolarHBondContact O-NZ 3.46Å; D324-K328 WeakPolarHBondContact O-CB 3.28Å; D324-K328 WeakPolarHBondContact O-CG 3.06Å; D324-K328 PolarHBondContact O-N 3.28Å; D324-K328 IonicContact OD1-NZ 3.91Å; D324-K328 PolarHBondContact OD1-NZ 3.48Å; D324-K328 IonicContact OD2-NZ 3.49Å; D324-K328 PolarHBondContact OD2-NZ 2.87Å; Q325-K328 PolarHBondContact O-N 2.97Å; M326-K328 PolarHBondContact O-N 2.8Å
329	I	98.6	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-47.1	173	-68.6	166	0	0	0	109.4	L289 W301 F317 Q325 M326 M327 E331 V332 L333 Y417	L289-I329 HydrophobicContact CD1-CD1 3.82Å; W301-I329 HydrophobicContact CH2-CG2 3.79Å; W301-I329 HydrophobicContact CZ2-CD1 3.81Å; W301-I329 HydrophobicContact CZ2-CG1 4.05Å; W301-I329 HydrophobicContact CZ2-CG2 4.06Å; F317-I329 HydrophobicContact CB-CG1 4.35Å; F317-I329 HydrophobicContact CD1-CB 4.46Å; F317-I329 HydrophobicContact CD1-CG1 3.9Å; F317-I329 HydrophobicContact CD2-CG1 3.93Å; F317-I329 HydrophobicContact CE1-CB 4.35Å; F317-I329 HydrophobicContact CE1-CG1 4.11Å; F317-I329 HydrophobicContact CE2-CG1 4.14Å; F317-I329 HydrophobicContact CG-CG1 3.81Å; F317-I329 HydrophobicContact CZ-CG1 4.23Å; Q325-I329 HydrophobicContact CG-CD1 4.23Å; Q325-I329 WeakPolarHBondContact O-CG1 3.41Å; Q325-I329 PolarHBondContact O-N 3.47Å; Q325-I329 VanDerWaalsContact O-N 3.09Å; M326-I329 WeakPolarHBondContact O-CB 3.29Å; M326-I329 PolarHBondContact O-N 3.24Å; M326-I329 VanDerWaalsContact O-N 3.17Å; M327-I329 VanDerWaalsContact C-N 3.3Å; M327-I329 PolarHBondContact O-N 3.35Å; I329-E331 PolarHBondContact O-N 3.41Å; I329-V332 PolarHBondContact O-N 2.89Å; I329-V332 VanDerWaalsContact O-N 3.08Å; I329-L333 HydrophobicContact CG2-CD1 3.93Å; I329-L333 PolarHBondContact O-N 3.25Å; I329-Y417 HydrophobicContact CG2-CE1 3.86Å; I329-Y417 WeakPolarHBondContact CG2-OH 3.26Å
330	I	98.4	Very high	97	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-37.9	-178.9	-66.9	165.2	0	0	0	112.3	M326 M327 V332 G334 L335 F351 C361 A373 G374	M326-I330 HydrophobicContact CG-CD1 3.87Å; M326-I330 WeakPolarHBondContact O-CG1 3.33Å; M326-I330 PolarHBondContact O-N 2.96Å; M326-I330 HydrophobicContact SD-CD1 4.12Å; M326-I330 HydrophobicContact SD-CG1 4.34Å; M327-I330 HydrophobicContact CE-CD1 4.5Å; M327-I330 PolarHBondContact O-N 3.26Å; M327-I330 VanDerWaalsContact O-N 3.15Å; M327-I330 HydrophobicContact SD-CD1 4.29Å; I330-V332 PolarHBondContact O-N 3.2Å; I330-V332 VanDerWaalsContact O-N 3.13Å; I330-G334 VanDerWaalsContact CA-O 3.31Å; I330-G334 WeakPolarHBondContact CA-O 3.32Å; I330-G334 WeakPolarHBondContact O-CA 3.38Å; I330-G334 PolarHBondContact O-N 3.06Å; I330-L335 HydrophobicContact CG2-CD2 4.2Å; I330-F351 HydrophobicContact CD1-CE1 3.59Å; I330-F351 HydrophobicContact CD1-CZ 3.59Å; I330-C361 VanDerWaalsContact CD1-SG 3.6Å; I330-A373 HydrophobicContact CG2-CB 3.57Å; I330-A373 CarbonylContact O-C 3.58Å; I330-A373 WeakPolarHBondContact O-CA 3.49Å; I330-G374 PolarHBondContact O-N 2.89Å
331	E	98	Very high	97	Very high	22 Å²	22	29 Å²	29	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-55	-31.1	174.3	-71.7	-177.5	153.8	0	0	112.5	M327 I329 Y370 R371 G374 S375 R376	M327-E331 WeakPolarHBondContact O-CG 3.35Å; M327-E331 PolarHBondContact O-N 2.85Å; I329-E331 PolarHBondContact O-N 3.41Å; E331-Y370 WeakPolarHBondContact OE1-CA 3.34Å; E331-Y370 WeakPolarHBondContact OE1-CB 3.46Å; E331-R371 HydrophobicContact CB-CB 4.47Å; E331-R371 HydrophobicContact CG-CB 3.93Å; E331-R371 PolarHBondContact OE1-N 2.96Å; E331-G374 CarbonylContact O-C 3.6Å; E331-G374 VanDerWaalsContact O-C 3.32Å; E331-G374 WeakPolarHBondContact O-CA 3.3Å; E331-G374 PolarHBondContact O-N 3.36Å; E331-S375 PolarHBondContact O-N 2.88Å; E331-S375 VanDerWaalsContact O-N 3.15Å; E331-R376 HydrophobicContact CB-CB 4.37Å; E331-R376 WeakPolarHBondContact O-CB 3.42Å; E331-R376 PolarHBondContact O-N 2.81Å
332	V	98.4	Very high	96.9	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-97.2	-42.7	-175.6	178.6	0	0	0	0	112.9	F317 I329 I330 R376 V378 I381	F317-V332 HydrophobicContact CD1-CG2 4.38Å; F317-V332 HydrophobicContact CE1-CB 3.8Å; F317-V332 HydrophobicContact CE1-CG1 4.26Å; F317-V332 HydrophobicContact CE1-CG2 3.71Å; F317-V332 HydrophobicContact CZ-CB 4.43Å; I329-V332 PolarHBondContact O-N 2.89Å; I329-V332 VanDerWaalsContact O-N 3.08Å; I330-V332 PolarHBondContact O-N 3.2Å; I330-V332 VanDerWaalsContact O-N 3.13Å; V332-R376 WeakPolarHBondContact CA-O 3.27Å; V332-R376 WeakPolarHBondContact CG1-O 3.31Å; V332-R376 HydrophobicContact CG2-CB 4.2Å; V332-R376 HydrophobicContact CG2-CG 4.33Å; V332-V378 HydrophobicContact CG1-CG2 3.5Å; V332-V378 VanDerWaalsContact CG1-CG2 3.5Å; V332-I381 HydrophobicContact CG1-CD1 4.14Å; V332-I381 HydrophobicContact CG2-CD1 3.99Å
333	L	98.3	Very high	96.6	Very high	40 Å²	40	35 Å²	35	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-104.4	-11.3	-170.2	-59	179.6	0	0	0	114	W301 F317 I329 L412 L415 Y417	W301-L333 HydrophobicContact CH2-CD1 3.6Å; W301-L333 HydrophobicContact CZ3-CD1 4.06Å; F317-L333 HydrophobicContact CZ-CD1 4.42Å; I329-L333 HydrophobicContact CG2-CD1 3.93Å; I329-L333 PolarHBondContact O-N 3.25Å; L333-L412 HydrophobicContact CD2-CD2 4.14Å; L333-L415 HydrophobicContact CD1-CB 4.11Å; L333-L415 WeakPolarHBondContact CD1-O 3.41Å; L333-L415 HydrophobicContact CD2-CB 4.37Å; L333-Y417 HydrophobicContact CB-CE2 3.59Å; L333-Y417 HydrophobicContact CD1-CE2 4.28Å
334	G	97.8	Very high	96.5	Very high	13 Å²	13	34 Å²	34	13%	0.134	18%	0.179	C	C	.	.			trans	90.9	-168.6	-172.4	0	0	0	0	0	112.6	I330 Y417	I330-G334 VanDerWaalsContact CA-O 3.31Å; I330-G334 WeakPolarHBondContact CA-O 3.32Å; I330-G334 WeakPolarHBondContact O-CA 3.38Å; I330-G334 PolarHBondContact O-N 3.06Å; G334-Y417 PolarHBondContact O-OH 3.13Å
335	L	97.2	Very high	96.4	Very high	81 Å²	81	38.7 Å²	38.7	42%	0.424	21%	0.209	S	C	.	.	S	Bend	trans	-74	142.9	174.2	-71.5	170.2	0	0	0	110.1	I330 F351 A373	I330-L335 HydrophobicContact CG2-CD2 4.2Å; L335-F351 HydrophobicContact CD2-CD1 4.42Å; L335-F351 HydrophobicContact CD2-CE1 3.88Å; L335-A373 HydrophobicContact CG-CB 4.38Å
336	P	97.3	Very high	96.3	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.026	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.1	151.8	169.4	-17	29.8	0	0	0	111	L340 L341 F351 Y417	P336-L340 HydrophobicContact CB-CD2 4.18Å; P336-L341 HydrophobicContact CB-CD1 4.42Å; P336-L341 HydrophobicContact CB-CD2 3.94Å; P336-L341 HydrophobicContact CB-CG 4.1Å; P336-L341 HydrophobicContact CG-CD2 4.03Å; P336-F351 HydrophobicContact CG-CZ 3.92Å; P336-Y417 HydrophobicContact CB-CD1 3.88Å; P336-Y417 HydrophobicContact CB-CD2 4.49Å; P336-Y417 HydrophobicContact CB-CE1 4Å; P336-Y417 HydrophobicContact CB-CG 4.14Å; P336-Y417 HydrophobicContact CG-CD1 4.04Å; P336-Y417 HydrophobicContact CG-CE1 3.65Å
337	P	96	Very high	96.2	Very high	53 Å²	53	43.2 Å²	43.2	34%	0.344	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-55.4	143	175.5	-24.3	33.7	0	0	0	112.2	E339 L340 L341	P337-E339 WeakPolarHBondContact CB-OE2 3.44Å; P337-E339 PolarHBondContact O-N 3.31Å; P337-L340 WeakPolarHBondContact O-CB 3.21Å; P337-L340 PolarHBondContact O-N 3.48Å; P337-L340 VanDerWaalsContact O-N 3.09Å; P337-L341 PolarHBondContact O-N 2.83Å
338	N	94.3	Very high	96.1	Very high	63 Å²	63	50.2 Å²	50.2	34%	0.337	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-38.4	-178.1	-75.1	-19	0	0	0	111.3	L340 L341 E342	N338-L340 PolarHBondContact O-N 3.33Å; N338-L341 PolarHBondContact O-N 3.45Å; N338-E342 VanDerWaalsContact O-CG 3.3Å; N338-E342 WeakPolarHBondContact O-CG 3.47Å; N338-E342 PolarHBondContact O-N 3.1Å
339	E	92.6	Very high	96.1	Very high	132 Å²	132	52.5 Å²	52.5	62%	0.617	27%	0.271	S	S	*	.	H	α-helix	trans	-60	-34.4	179.4	-57.1	79.5	-173	0	0	112.2	P337 N343	P337-E339 WeakPolarHBondContact CB-OE2 3.44Å; P337-E339 PolarHBondContact O-N 3.31Å; E339-N343 PolarHBondContact O-ND2 3.22Å
340	L	94.2	Very high	96	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-71.7	-42.2	175.4	-172	73.8	0	0	0	110.8	L290 I292 P336 P337 N338 N343 A344	L290-L340 HydrophobicContact CD1-CD2 4.08Å; L290-L340 HydrophobicContact CD1-CG 4.3Å; I292-L340 HydrophobicContact CD1-CD1 3.56Å; I292-L340 HydrophobicContact CD1-CG 3.79Å; P336-L340 HydrophobicContact CB-CD2 4.18Å; P337-L340 WeakPolarHBondContact O-CB 3.21Å; P337-L340 PolarHBondContact O-N 3.48Å; P337-L340 VanDerWaalsContact O-N 3.09Å; N338-L340 PolarHBondContact O-N 3.33Å; L340-N343 PolarHBondContact O-N 3.44Å; L340-A344 PolarHBondContact O-N 2.91Å
341	L	96.5	Very high	95.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-34.9	-178.4	-64.1	-179.2	0	0	0	112.9	L290 P336 P337 N338 N343 A344 V347 F351 F359	L290-L341 HydrophobicContact CD1-CD2 4.18Å; L290-L341 HydrophobicContact CD2-CD2 4.09Å; P336-L341 HydrophobicContact CB-CD1 4.42Å; P336-L341 HydrophobicContact CB-CD2 3.94Å; P336-L341 HydrophobicContact CB-CG 4.1Å; P336-L341 HydrophobicContact CG-CD2 4.03Å; P337-L341 PolarHBondContact O-N 2.83Å; N338-L341 PolarHBondContact O-N 3.45Å; L341-N343 PolarHBondContact O-N 2.66Å; L341-A344 WeakPolarHBondContact O-CB 3.4Å; L341-A344 PolarHBondContact O-N 3.01Å; L341-V347 HydrophobicContact CB-CG2 4.15Å; L341-V347 HydrophobicContact CD2-CG2 4.4Å; L341-F351 HydrophobicContact CD1-CD1 4.46Å; L341-F351 HydrophobicContact CD1-CE1 4.45Å; L341-F351 HydrophobicContact CD1-CG 4.49Å; L341-F351 HydrophobicContact CD1-CZ 4.49Å; L341-F351 HydrophobicContact CD2-CD2 3.85Å; L341-F351 HydrophobicContact CD2-CE2 3.53Å; L341-F351 HydrophobicContact CD2-CZ 4Å; L341-F359 HydrophobicContact CB-CD2 3.77Å; L341-F359 HydrophobicContact CB-CE1 4.37Å; L341-F359 HydrophobicContact CB-CE2 3.61Å; L341-F359 HydrophobicContact CB-CG 4.21Å; L341-F359 HydrophobicContact CB-CZ 3.89Å; L341-F359 HydrophobicContact CD1-CB 3.62Å; L341-F359 HydrophobicContact CD1-CD1 4.42Å; L341-F359 HydrophobicContact CD1-CD2 3.69Å; L341-F359 HydrophobicContact CD1-CE2 4.41Å; L341-F359 HydrophobicContact CD1-CG 3.67Å; L341-F359 HydrophobicContact CG-CD2 4.39Å
342	E	93.3	Very high	95.8	Very high	99 Å²	99	54.7 Å²	54.7	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-31.7	176.8	-73	-173.4	159.8	0	0	112.7	N338 F359	N338-E342 VanDerWaalsContact O-CG 3.3Å; N338-E342 WeakPolarHBondContact O-CG 3.47Å; N338-E342 PolarHBondContact O-N 3.1Å; E342-F359 HydrophobicContact CG-CE2 4.08Å; E342-F359 HydrophobicContact CG-CZ 4.37Å
343	N	90.3	Very high	95.6	Very high	123 Å²	123	61.2 Å²	61.2	66%	0.658	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.3	-179.2	-67.9	-59.9	0	0	0	113.6	E339 L340 L341 P345	E339-N343 PolarHBondContact O-ND2 3.22Å; L340-N343 PolarHBondContact O-N 3.44Å; L341-N343 PolarHBondContact O-N 2.66Å; N343-P345 VanDerWaalsContact O-CD 3.3Å; N343-P345 WeakPolarHBondContact O-CD 3.19Å
344	A	95.8	Very high	95.4	Very high	7 Å²	7	62.4 Å²	62.4	6%	0.058	31%	0.314	C	S	.	.			trans	-87.7	113.9	-173.1	0	0	0	0	0	112.9	L290 I292 L340 L341 R346 V347	L290-A344 HydrophobicContact CB-CB 3.8Å; L290-A344 HydrophobicContact CD1-CB 4.36Å; L290-A344 HydrophobicContact CD2-CB 3.93Å; L290-A344 HydrophobicContact CG-CB 4.24Å; I292-A344 HydrophobicContact CD1-CB 4.02Å; I292-A344 HydrophobicContact CG1-CB 4.02Å; L340-A344 PolarHBondContact O-N 2.91Å; L341-A344 WeakPolarHBondContact O-CB 3.4Å; L341-A344 PolarHBondContact O-N 3.01Å; A344-R346 PolarHBondContact O-N 2.85Å; A344-R346 VanDerWaalsContact O-N 3.11Å; A344-V347 HydrophobicContact CB-CB 3.93Å; A344-V347 WeakPolarHBondContact O-CB 3.45Å; A344-V347 WeakPolarHBondContact O-CG1 3.21Å; A344-V347 PolarHBondContact O-N 3.26Å; A344-V347 VanDerWaalsContact O-N 3.11Å
345	P	95.7	Very high	95.2	Very high	102 Å²	102	68.4 Å²	68.4	66%	0.662	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.2	179.6	-25.8	37.3	0	0	0	114.3	L290 G291 N343	L290-P345 WeakPolarHBondContact O-CD 3.38Å; G291-P345 WeakPolarHBondContact O-CD 3.47Å; G291-P345 WeakPolarHBondContact O-CG 3.44Å; N343-P345 VanDerWaalsContact O-CD 3.3Å; N343-P345 WeakPolarHBondContact O-CD 3.19Å
346	R	95.9	Very high	95.1	Very high	73 Å²	73	69.5 Å²	69.5	28%	0.275	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	20.6	-179.9	-52.9	174.7	73.6	-161.9	5.5	112.4	L289 L290 E322 A344 E348 K349 Y350	L289-R346 PolarHBondContact O-NH1 2.96Å; L290-R346 WeakPolarHBondContact O-CB 3.45Å; L290-R346 PolarHBondContact O-N 3.23Å; E322-R346 IonicContact OE1-CZ 3.47Å; E322-R346 IonicContact OE1-NH1 3.75Å; E322-R346 PolarHBondContact OE1-NH1 2.88Å; E322-R346 IonicContact OE1-NH2 3.73Å; E322-R346 PolarHBondContact OE1-NH2 2.91Å; E322-R346 IonicContact OE2-CZ 3.02Å; E322-R346 IonicContact OE2-NH1 3.88Å; E322-R346 IonicContact OE2-NH2 3.95Å; E322-R346 PolarHBondContact OE2-NH2 3.04Å; A344-R346 PolarHBondContact O-N 2.85Å; A344-R346 VanDerWaalsContact O-N 3.11Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 2.98Å; R346-K349 VanDerWaalsContact NH2-NZ 3.15Å; R346-K349 VanDerWaalsContact O-CB 3.26Å; R346-K349 WeakPolarHBondContact O-CB 3.38Å; R346-K349 PolarHBondContact O-N 2.5Å; R346-Y350 HydrophobicContact CB-CE2 4.38Å; R346-Y350 WeakPolarHBondContact O-CD2 3.15Å
347	V	96.5	Very high	94.6	Very high	22 Å²	22	78 Å²	78	13%	0.133	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-55.4	-44.1	-178	66.5	0	0	0	0	112.5	L341 A344 K349 Y350 F351 F359	L341-V347 HydrophobicContact CB-CG2 4.15Å; L341-V347 HydrophobicContact CD2-CG2 4.4Å; A344-V347 HydrophobicContact CB-CB 3.93Å; A344-V347 WeakPolarHBondContact O-CB 3.45Å; A344-V347 WeakPolarHBondContact O-CG1 3.21Å; A344-V347 PolarHBondContact O-N 3.26Å; A344-V347 VanDerWaalsContact O-N 3.11Å; V347-K349 PolarHBondContact O-N 2.93Å; V347-Y350 PolarHBondContact O-N 2.69Å; V347-F351 HydrophobicContact CG2-CB 4.23Å; V347-F351 HydrophobicContact CG2-CD2 4.05Å; V347-F351 PolarHBondContact O-N 3.45Å; V347-F359 HydrophobicContact CG2-CD1 3.96Å; V347-F359 HydrophobicContact CG2-CE1 3.53Å; V347-F359 HydrophobicContact CG2-CZ 4.19Å
348	E	95.9	Very high	94.5	Very high	151 Å²	151	77.8 Å²	77.8	71%	0.706	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-64.7	-13.2	-178.6	-60.9	-175.7	171	0	0	113.2	R346 Y350 K362	R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 2.98Å; E348-Y350 VanDerWaalsContact C-N 3.28Å; E348-K362 VanDerWaalsContact O-CD 3.28Å; E348-K362 WeakPolarHBondContact O-CD 3.17Å; E348-K362 VanDerWaalsContact O-CE 3.28Å; E348-K362 WeakPolarHBondContact O-CE 3.47Å; E348-K362 PolarHBondContact O-NZ 3.27Å
349	K	96.2	Very high	94.6	Very high	82 Å²	82	75.2 Å²	75.2	36%	0.357	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-70.5	-29.2	174	-178.5	168.7	172.7	163.8	0	111.9	E322 F323 R346 V347	E322-K349 IonicContact OE2-NZ 3.39Å; E322-K349 PolarHBondContact OE2-NZ 3.03Å; F323-K349 WeakPolarHBondContact CD2-O 3.48Å; R346-K349 VanDerWaalsContact NH2-NZ 3.15Å; R346-K349 VanDerWaalsContact O-CB 3.26Å; R346-K349 WeakPolarHBondContact O-CB 3.38Å; R346-K349 PolarHBondContact O-N 2.5Å; V347-K349 PolarHBondContact O-N 2.93Å
350	Y	97	Very high	94.7	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-25.5	-168.8	-46.6	-77.6	0	0	0	113.5	L289 L290 E322 F323 M326 M327 R346 V347 E348 K362	L289-Y350 VanDerWaalsContact O-CE2 3.24Å; L289-Y350 WeakPolarHBondContact O-CE2 3.49Å; L289-Y350 PolarHBondContact O-OH 2.71Å; L290-Y350 HydrophobicContact CD2-CD2 4.07Å; L290-Y350 HydrophobicContact CD2-CE2 4.39Å; E322-Y350 HydrophobicContact CB-CE1 4.37Å; E322-Y350 WeakPolarHBondContact O-CE1 3.37Å; F323-Y350 HydrophobicContact CB-CD1 4.48Å; F323-Y350 HydrophobicContact CD2-CD1 4Å; M326-Y350 HydrophobicContact CB-CD1 3.61Å; M326-Y350 HydrophobicContact CB-CE1 3.95Å; M326-Y350 HydrophobicContact CB-CG 4.16Å; M326-Y350 HydrophobicContact CE-CD2 4.49Å; M326-Y350 HydrophobicContact CG-CD1 3.88Å; M326-Y350 HydrophobicContact CG-CG 3.9Å; M327-Y350 VanDerWaalsContact CE-O 3.3Å; M327-Y350 WeakPolarHBondContact CE-O 3.14Å; R346-Y350 HydrophobicContact CB-CE2 4.38Å; R346-Y350 WeakPolarHBondContact O-CD2 3.15Å; V347-Y350 PolarHBondContact O-N 2.69Å; E348-Y350 VanDerWaalsContact C-N 3.28Å; Y350-K362 WeakPolarHBondContact O-CB 3.19Å; Y350-K362 PolarHBondContact O-N 3.02Å
351	F	97.4	Very high	94.8	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.1	-173.1	-55.1	-85.1	0	0	0	112.1	L290 M326 I330 L335 P336 L341 V347 F359 V360 K362	L290-F351 HydrophobicContact CD2-CE2 4.12Å; M326-F351 HydrophobicContact CG-CE2 4.4Å; M326-F351 HydrophobicContact CG-CZ 4.25Å; M326-F351 HydrophobicContact SD-CE2 4.45Å; M326-F351 HydrophobicContact SD-CZ 4.21Å; I330-F351 HydrophobicContact CD1-CE1 3.59Å; I330-F351 HydrophobicContact CD1-CZ 3.59Å; L335-F351 HydrophobicContact CD2-CD1 4.42Å; L335-F351 HydrophobicContact CD2-CE1 3.88Å; P336-F351 HydrophobicContact CG-CZ 3.92Å; L341-F351 HydrophobicContact CD1-CD1 4.46Å; L341-F351 HydrophobicContact CD1-CE1 4.45Å; L341-F351 HydrophobicContact CD1-CG 4.49Å; L341-F351 HydrophobicContact CD1-CZ 4.49Å; L341-F351 HydrophobicContact CD2-CD2 3.85Å; L341-F351 HydrophobicContact CD2-CE2 3.53Å; L341-F351 HydrophobicContact CD2-CZ 4Å; V347-F351 HydrophobicContact CG2-CB 4.23Å; V347-F351 HydrophobicContact CG2-CD2 4.05Å; V347-F351 PolarHBondContact O-N 3.45Å; F351-F359 HydrophobicContact CB-CB 4.24Å; F351-F359 HydrophobicContact CB-CD1 3.95Å; F351-F359 HydrophobicContact CD1-CB 4.4Å; F351-V360 CarbonylContact C-O 3.52Å; F351-V360 WeakPolarHBondContact CA-O 3.39Å; F351-K362 VanDerWaalsContact O-CE 3.28Å; F351-K362 WeakPolarHBondContact O-CE 3.41Å
352	D	95.6	Very high	94.7	Very high	71 Å²	71	75.7 Å²	75.7	38%	0.38	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.2	162.7	-70.1	-51.1	0	0	0	108.1	F359 V360 K362	D352-F359 WeakPolarHBondContact O-CA 3.39Å; D352-V360 HydrophobicContact CB-CG2 3.96Å; D352-V360 PolarHBondContact N-O 2.72Å; D352-V360 PolarHBondContact O-N 3.12Å; D352-K362 HydrophobicContact CB-CG 4.48Å; D352-K362 VanDerWaalsContact CG-CG 3.48Å; D352-K362 WeakPolarHBondContact OD1-CE 3.34Å; D352-K362 IonicContact OD1-NZ 3.72Å; D352-K362 VanDerWaalsContact OD2-CG 3.25Å; D352-K362 WeakPolarHBondContact OD2-CG 3.35Å
353	R	94.7	Very high	94.6	Very high	144 Å²	144	82 Å²	82	54%	0.543	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.8	173.1	-179.4	179.3	-88.4	177.1	-8.2	109.1	F359	R353-F359 HydrophobicContact CB-CD1 4.11Å; R353-F359 HydrophobicContact CB-CE1 3.93Å; R353-F359 HydrophobicContact CG-CE1 4.29Å
354	L	94.2	Very high	94.7	Very high	65 Å²	65	77.1 Å²	77.1	34%	0.34	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-81.9	163	175.9	-65.3	-172.9	0	0	0	111.5	D356 R357 T358 V360	L354-D356 VanDerWaalsContact CB-OD1 3.25Å; L354-D356 WeakPolarHBondContact CB-OD1 3.21Å; L354-D356 PolarHBondContact O-N 3.22Å; L354-R357 PolarHBondContact O-N 2.91Å; L354-T358 PolarHBondContact N-O 3.39Å; L354-V360 HydrophobicContact CD1-CG1 3.58Å; L354-V360 HydrophobicContact CD2-CG1 4.45Å; L354-V360 HydrophobicContact CD2-CG2 3.92Å; L354-V360 HydrophobicContact CG-CG1 4Å; L354-V360 HydrophobicContact CG-CG2 4.12Å
355	P	93.4	Very high	94.3	Very high	138 Å²	138	87.3 Å²	87.3	90%	0.896	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.3	180	-26.3	35.7	0	0	0	114.6	R357	P355-R357 PolarHBondContact O-N 3.5Å
356	D	93.3	Very high	94	Very high	104 Å²	104	87.5 Å²	87.5	56%	0.556	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	8.2	176.4	67.7	-5.1	0	0	0	113.5	L354 T358	L354-D356 VanDerWaalsContact CB-OD1 3.25Å; L354-D356 WeakPolarHBondContact CB-OD1 3.21Å; L354-D356 PolarHBondContact O-N 3.22Å; D356-T358 VanDerWaalsContact CG-OG1 3.3Å; D356-T358 PolarHBondContact O-N 3.29Å; D356-T358 WeakPolarHBondContact OD1-CB 3.35Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.46Å; D356-T358 PolarHBondContact OD1-N 3.02Å; D356-T358 PolarHBondContact OD1-OG1 3.3Å; D356-T358 PolarHBondContact OD2-OG1 3.47Å
357	R	88.6	Confident	93.7	Very high	183 Å²	183	86.8 Å²	86.8	69%	0.691	43%	0.429	S	S	*	.	S	Bend	trans	69.1	4.7	-176.2	-50.5	-179.4	178.1	-175.8	-0.2	115.2	L354 P355	L354-R357 PolarHBondContact O-N 2.91Å; P355-R357 PolarHBondContact O-N 3.5Å
358	T	93.5	Very high	93.4	Very high	48 Å²	48	89.8 Å²	89.8	29%	0.294	44%	0.44	S	S	.	.			trans	-75.8	162	170.2	68.5	0	0	0	0	110.9	L354 D356	L354-T358 PolarHBondContact N-O 3.39Å; D356-T358 VanDerWaalsContact CG-OG1 3.3Å; D356-T358 PolarHBondContact O-N 3.29Å; D356-T358 WeakPolarHBondContact OD1-CB 3.35Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.46Å; D356-T358 PolarHBondContact OD1-N 3.02Å; D356-T358 PolarHBondContact OD1-OG1 3.3Å; D356-T358 PolarHBondContact OD2-OG1 3.47Å
359	F	95.6	Very high	93.2	Very high	9 Å²	9	94 Å²	94	4%	0.039	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.4	179.4	-68.1	-89	0	0	0	111.2	L341 E342 V347 F351 D352 R353	L341-F359 HydrophobicContact CB-CD2 3.77Å; L341-F359 HydrophobicContact CB-CE1 4.37Å; L341-F359 HydrophobicContact CB-CE2 3.61Å; L341-F359 HydrophobicContact CB-CG 4.21Å; L341-F359 HydrophobicContact CB-CZ 3.89Å; L341-F359 HydrophobicContact CD1-CB 3.62Å; L341-F359 HydrophobicContact CD1-CD1 4.42Å; L341-F359 HydrophobicContact CD1-CD2 3.69Å; L341-F359 HydrophobicContact CD1-CE2 4.41Å; L341-F359 HydrophobicContact CD1-CG 3.67Å; L341-F359 HydrophobicContact CG-CD2 4.39Å; E342-F359 HydrophobicContact CG-CE2 4.08Å; E342-F359 HydrophobicContact CG-CZ 4.37Å; V347-F359 HydrophobicContact CG2-CD1 3.96Å; V347-F359 HydrophobicContact CG2-CE1 3.53Å; V347-F359 HydrophobicContact CG2-CZ 4.19Å; F351-F359 HydrophobicContact CB-CB 4.24Å; F351-F359 HydrophobicContact CB-CD1 3.95Å; F351-F359 HydrophobicContact CD1-CB 4.4Å; D352-F359 WeakPolarHBondContact O-CA 3.39Å; R353-F359 HydrophobicContact CB-CD1 4.11Å; R353-F359 HydrophobicContact CB-CE1 3.93Å; R353-F359 HydrophobicContact CG-CE1 4.29Å
360	V	95.4	Very high	93.1	Very high	55 Å²	55	92.6 Å²	92.6	33%	0.333	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.2	170.8	-65	0	0	0	0	110.1	F351 D352 L354 K362	F351-V360 CarbonylContact C-O 3.52Å; F351-V360 WeakPolarHBondContact CA-O 3.39Å; D352-V360 HydrophobicContact CB-CG2 3.96Å; D352-V360 PolarHBondContact N-O 2.72Å; D352-V360 PolarHBondContact O-N 3.12Å; L354-V360 HydrophobicContact CD1-CG1 3.58Å; L354-V360 HydrophobicContact CD2-CG1 4.45Å; L354-V360 HydrophobicContact CD2-CG2 3.92Å; L354-V360 HydrophobicContact CG-CG1 4Å; L354-V360 HydrophobicContact CG-CG2 4.12Å; V360-K362 PolarHBondContact O-N 3.46Å
361	C	96.1	Very high	93	Very high	45 Å²	45	100.1 Å²	100.1	30%	0.304	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.7	177.3	-66.5	0	0	0	0	110.5	M327 I330	M327-C361 HydrophobicContact CE-CB 4.17Å; M327-C361 HydrophobicContact SD-CB 3.9Å; I330-C361 VanDerWaalsContact CD1-SG 3.6Å
362	K	94.9	Very high	92.8	Very high	64 Å²	64	107.6 Å²	107.6	28%	0.278	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-59.5	146.6	169.1	-90.2	178	172.8	-174.8	0	110	F323 E348 Y350 F351 D352 V360	F323-K362 HydrophobicContact CE2-CB 4Å; F323-K362 HydrophobicContact CZ-CB 4.29Å; F323-K362 WeakPolarHBondContact CZ-O 2.99Å; E348-K362 VanDerWaalsContact O-CD 3.28Å; E348-K362 WeakPolarHBondContact O-CD 3.17Å; E348-K362 VanDerWaalsContact O-CE 3.28Å; E348-K362 WeakPolarHBondContact O-CE 3.47Å; E348-K362 PolarHBondContact O-NZ 3.27Å; Y350-K362 WeakPolarHBondContact O-CB 3.19Å; Y350-K362 PolarHBondContact O-N 3.02Å; F351-K362 VanDerWaalsContact O-CE 3.28Å; F351-K362 WeakPolarHBondContact O-CE 3.41Å; D352-K362 HydrophobicContact CB-CG 4.48Å; D352-K362 VanDerWaalsContact CG-CG 3.48Å; D352-K362 WeakPolarHBondContact OD1-CE 3.34Å; D352-K362 IonicContact OD1-NZ 3.72Å; D352-K362 VanDerWaalsContact OD2-CG 3.25Å; D352-K362 WeakPolarHBondContact OD2-CG 3.35Å; V360-K362 PolarHBondContact O-N 3.46Å
363	R	91.3	Very high	92.9	Very high	233 Å²	233	106.8 Å²	106.8	88%	0.879	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-69.9	141.3	172	-66.5	-177.6	-176.8	-105.9	-0	110.2	K365	R363-K365 PolarHBondContact O-N 3.17Å
364	S	90.9	Very high	92.9	Very high	20 Å²	20	101.1 Å²	101.1	14%	0.14	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-65.6	131	177.3	-150.4	0	0	0	0	111.1	D366 G367 K368	S364-D366 WeakPolarHBondContact CB-OD1 3.46Å; S364-D366 PolarHBondContact O-N 3.31Å; S364-D366 PolarHBondContact OG-OD1 3.39Å; S364-G367 PolarHBondContact O-N 2.78Å; S364-G367 VanDerWaalsContact O-N 3.14Å; S364-K368 VanDerWaalsContact CB-O 3.29Å; S364-K368 WeakPolarHBondContact CB-O 3.33Å
365	K	89.1	Confident	93.1	Very high	221 Å²	221	100.5 Å²	100.5	96%	0.961	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25	178.2	-66.4	-173.3	178.7	-175.1	0	113.2	R363 G367	R363-K365 PolarHBondContact O-N 3.17Å; K365-G367 VanDerWaalsContact C-N 3.32Å
366	D	89.1	Confident	93.2	Very high	106 Å²	106	96.4 Å²	96.4	57%	0.567	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	3.9	177.3	63.6	-0.2	0	0	0	113.2	S364 K368	S364-D366 WeakPolarHBondContact CB-OD1 3.46Å; S364-D366 PolarHBondContact O-N 3.31Å; S364-D366 PolarHBondContact OG-OD1 3.39Å; D366-K368 PolarHBondContact O-N 3.21Å; D366-K368 WeakPolarHBondContact OD1-CB 3.24Å; D366-K368 PolarHBondContact OD1-N 3.31Å
367	G	88.8	Confident	93.4	Very high	58 Å²	58	98.1 Å²	98.1	60%	0.598	46%	0.462	S	S	*	.			trans	73.1	4	-177.8	0	0	0	0	0	114.7	S364 K365 R369	S364-G367 PolarHBondContact O-N 2.78Å; S364-G367 VanDerWaalsContact O-N 3.14Å; K365-G367 VanDerWaalsContact C-N 3.32Å; G367-R369 PolarHBondContact O-N 3.25Å
368	K	91.1	Very high	93.9	Very high	84 Å²	84	89.7 Å²	89.7	37%	0.365	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-60.3	128.7	176.3	-172.6	176.3	178.5	-173.2	0	110.4	D324 S364 D366 Y370	D324-K368 IonicContact OD1-NZ 3.21Å; D324-K368 PolarHBondContact OD1-NZ 3.27Å; D324-K368 IonicContact OD2-NZ 3.86Å; S364-K368 VanDerWaalsContact CB-O 3.29Å; S364-K368 WeakPolarHBondContact CB-O 3.33Å; D366-K368 PolarHBondContact O-N 3.21Å; D366-K368 WeakPolarHBondContact OD1-CB 3.24Å; D366-K368 PolarHBondContact OD1-N 3.31Å; K368-Y370 HydrophobicContact CB-CE2 4.49Å; K368-Y370 HydrophobicContact CD-CE1 4.12Å; K368-Y370 HydrophobicContact CG-CE2 4.49Å
369	R	91.7	Very high	94.1	Very high	239 Å²	239	89 Å²	89	90%	0.902	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-92.9	130.4	174.7	-63.6	-174.5	-179.2	-172.2	0.1	109.5	G367	G367-R369 PolarHBondContact O-N 3.25Å
370	Y	93.4	Very high	94.2	Very high	53 Å²	53	91.6 Å²	91.6	21%	0.208	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-99.9	157.9	173.9	-62.3	-82.3	0	0	0	109.7	F323 D324 M327 E331 K368	F323-Y370 HydrophobicContact CE1-CE2 4.05Å; D324-Y370 WeakPolarHBondContact OD1-CE1 3.3Å; D324-Y370 PolarHBondContact OD1-OH 3Å; M327-Y370 HydrophobicContact CB-CD1 3.47Å; M327-Y370 VanDerWaalsContact CB-CD1 3.47Å; M327-Y370 HydrophobicContact CB-CD2 3.96Å; M327-Y370 HydrophobicContact CB-CE1 3.37Å; M327-Y370 HydrophobicContact CB-CE2 3.9Å; M327-Y370 HydrophobicContact CB-CG 3.76Å; M327-Y370 HydrophobicContact CG-CD1 4.35Å; M327-Y370 HydrophobicContact CG-CD2 3.96Å; M327-Y370 HydrophobicContact CG-CE1 4.09Å; M327-Y370 HydrophobicContact CG-CE2 3.71Å; M327-Y370 HydrophobicContact CG-CG 4.28Å; E331-Y370 WeakPolarHBondContact OE1-CA 3.34Å; E331-Y370 WeakPolarHBondContact OE1-CB 3.46Å; K368-Y370 HydrophobicContact CB-CE2 4.49Å; K368-Y370 HydrophobicContact CD-CE1 4.12Å; K368-Y370 HydrophobicContact CG-CE2 4.49Å
371	R	93.9	Very high	94.3	Very high	158 Å²	158	90 Å²	90	60%	0.596	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-66.3	161.8	169.8	-55.3	-177.9	178.5	-149	-0.7	110	E331 S375	E331-R371 HydrophobicContact CB-CB 4.47Å; E331-R371 HydrophobicContact CG-CB 3.93Å; E331-R371 PolarHBondContact OE1-N 2.96Å; R371-S375 WeakPolarHBondContact CB-OG 3.34Å
372	E	94.7	Very high	94.4	Very high	162 Å²	162	87.9 Å²	87.9	76%	0.757	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-61.8	147.8	175.4	-65.7	178.4	176.3	0	0	111	G374 S375	E372-G374 PolarHBondContact O-N 2.69Å; E372-S375 PolarHBondContact N-OG 3.28Å; E372-S375 VanDerWaalsContact O-CB 3.23Å; E372-S375 WeakPolarHBondContact O-CB 3.35Å; E372-S375 PolarHBondContact O-N 3.38Å; E372-S375 PolarHBondContact O-OG 3.07Å
373	A	96.2	Very high	94.5	Very high	53 Å²	53	85 Å²	85	44%	0.438	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.3	-178.3	0	0	0	0	0	110.9	I330 L335 S375	I330-A373 HydrophobicContact CG2-CB 3.57Å; I330-A373 CarbonylContact O-C 3.58Å; I330-A373 WeakPolarHBondContact O-CA 3.49Å; L335-A373 HydrophobicContact CG-CB 4.38Å; A373-S375 PolarHBondContact O-N 3.07Å
374	G	96.4	Very high	94.8	Very high	25 Å²	25	74 Å²	74	26%	0.258	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	1.4	-178.9	0	0	0	0	0	115.7	I330 E331 E372 R376	I330-G374 PolarHBondContact O-N 2.89Å; E331-G374 CarbonylContact O-C 3.6Å; E331-G374 VanDerWaalsContact O-C 3.32Å; E331-G374 WeakPolarHBondContact O-CA 3.3Å; E331-G374 PolarHBondContact O-N 3.36Å; E372-G374 PolarHBondContact O-N 2.69Å; G374-R376 PolarHBondContact O-N 3.26Å
375	S	97.3	Very high	95.1	Very high	52 Å²	52	77.4 Å²	77.4	36%	0.364	38%	0.377	S	S	.	.			trans	-71.9	-25.5	-178.3	65.6	0	0	0	0	113.8	E331 R371 E372 A373 R377	E331-S375 PolarHBondContact O-N 2.88Å; E331-S375 VanDerWaalsContact O-N 3.15Å; R371-S375 WeakPolarHBondContact CB-OG 3.34Å; E372-S375 PolarHBondContact N-OG 3.28Å; E372-S375 VanDerWaalsContact O-CB 3.23Å; E372-S375 WeakPolarHBondContact O-CB 3.35Å; E372-S375 PolarHBondContact O-N 3.38Å; E372-S375 PolarHBondContact O-OG 3.07Å; A373-S375 PolarHBondContact O-N 3.07Å; S375-R377 PolarHBondContact O-N 2.75Å
376	R	96.7	Very high	95.4	Very high	52 Å²	52	73.1 Å²	73.1	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-93.5	71.4	177.6	-168.1	-169.7	172.7	-127	2	110.2	E314 L316 E331 V332 G374 I381	E314-R376 IonicContact OE1-NH2 2.81Å; L316-R376 PolarHBondContact O-NH1 2.92Å; E331-R376 HydrophobicContact CB-CB 4.37Å; E331-R376 WeakPolarHBondContact O-CB 3.42Å; E331-R376 PolarHBondContact O-N 2.81Å; V332-R376 WeakPolarHBondContact CA-O 3.27Å; V332-R376 WeakPolarHBondContact CG1-O 3.31Å; V332-R376 HydrophobicContact CG2-CB 4.2Å; V332-R376 HydrophobicContact CG2-CG 4.33Å; G374-R376 PolarHBondContact O-N 3.26Å; R376-I381 HydrophobicContact CG-CD1 4.05Å; R376-I381 HydrophobicContact CG-CG1 4.19Å
377	R	97.1	Very high	95.6	Very high	141 Å²	141	68.9 Å²	68.9	53%	0.532	34%	0.342	S	S	.	.			trans	-63.5	139.7	-170.3	-54.3	177	-64.6	-177.2	4.7	112.1	S375 H379 D380 I381	S375-R377 PolarHBondContact O-N 2.75Å; R377-H379 HydrophobicContact CB-CB 4.42Å; R377-H379 PolarHBondContact O-N 3.12Å; R377-H379 VanDerWaalsContact O-N 3.1Å; R377-D380 WeakPolarHBondContact CB-OD2 3.46Å; R377-D380 IonicContact CZ-OD1 3.46Å; R377-D380 IonicContact CZ-OD2 3.41Å; R377-D380 IonicContact NE-OD1 2.85Å; R377-D380 IonicContact NE-OD2 3.72Å; R377-D380 PolarHBondContact NE-OD2 3.1Å; R377-D380 IonicContact NH2-OD1 3.18Å; R377-D380 PolarHBondContact NH2-OD1 3.43Å; R377-D380 IonicContact NH2-OD2 2.68Å; R377-D380 PolarHBondContact NH2-OD2 3.08Å; R377-D380 PolarHBondContact O-N 3.36Å; R377-I381 PolarHBondContact O-N 3.35Å; R377-I381 VanDerWaalsContact O-N 3.13Å
378	V	97.8	Very high	96	Very high	6 Å²	6	66.1 Å²	66.1	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-52.8	-33.9	172	177.8	0	0	0	0	111.8	V332 D380 I381 L382 K408 I411 L412	V332-V378 HydrophobicContact CG1-CG2 3.5Å; V332-V378 VanDerWaalsContact CG1-CG2 3.5Å; V378-D380 VanDerWaalsContact C-N 3.33Å; V378-D380 PolarHBondContact O-N 3.08Å; V378-I381 PolarHBondContact O-N 3.34Å; V378-L382 HydrophobicContact CG1-CD1 3.75Å; V378-L382 HydrophobicContact CG1-CG 4.09Å; V378-L382 WeakPolarHBondContact O-CB 3.38Å; V378-L382 WeakPolarHBondContact O-CG 3.43Å; V378-L382 PolarHBondContact O-N 3.12Å; V378-K408 HydrophobicContact CG1-CG 4.25Å; V378-I411 HydrophobicContact CG1-CG2 4.24Å; V378-L412 HydrophobicContact CB-CD2 4.25Å; V378-L412 HydrophobicContact CG2-CD2 3.77Å
379	H	98.3	Very high	96.3	Very high	32 Å²	32	62.4 Å²	62.4	15%	0.148	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-42.8	176.1	-176.3	95.3	0	0	0	112.8	R377 G383 V384 D385 K408	R377-H379 HydrophobicContact CB-CB 4.42Å; R377-H379 PolarHBondContact O-N 3.12Å; R377-H379 VanDerWaalsContact O-N 3.1Å; H379-G383 PolarHBondContact O-N 3.37Å; H379-V384 HydrophobicContact CB-CG2 4.38Å; H379-V384 VanDerWaalsContact CE1-CB 3.48Å; H379-V384 WeakPolarHBondContact CE1-CB 3.48Å; H379-V384 VanDerWaalsContact CE1-CG1 3.5Å; H379-V384 WeakPolarHBondContact CE1-CG1 3.38Å; H379-V384 WeakPolarHBondContact O-CG2 3.18Å; H379-V384 PolarHBondContact O-N 3.4Å; H379-D385 IonicContact CE1-OD1 2.72Å; H379-D385 IonicContact CE1-OD2 3.14Å; H379-D385 PolarHBondContact CE1-OD2 3.01Å; H379-D385 IonicContact NE2-OD1 3.62Å; H379-D385 IonicContact NE2-OD2 2.7Å; H379-D385 PolarHBondContact NE2-OD2 3.13Å; H379-K408 HydrophobicContact CB-CD 4.04Å
380	D	97.5	Very high	96.4	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	30%	0.295	S	S	.	.	H	α-helix	trans	-77.2	-37.8	-179.8	-52.8	-40.2	0	0	0	110.7	R377 V378 L382 G383	R377-D380 WeakPolarHBondContact CB-OD2 3.46Å; R377-D380 IonicContact CZ-OD1 3.46Å; R377-D380 IonicContact CZ-OD2 3.41Å; R377-D380 IonicContact NE-OD1 2.85Å; R377-D380 IonicContact NE-OD2 3.72Å; R377-D380 PolarHBondContact NE-OD2 3.1Å; R377-D380 IonicContact NH2-OD1 3.18Å; R377-D380 PolarHBondContact NH2-OD1 3.43Å; R377-D380 IonicContact NH2-OD2 2.68Å; R377-D380 PolarHBondContact NH2-OD2 3.08Å; R377-D380 PolarHBondContact O-N 3.36Å; V378-D380 VanDerWaalsContact C-N 3.33Å; V378-D380 PolarHBondContact O-N 3.08Å; D380-L382 VanDerWaalsContact C-N 3.35Å; D380-L382 PolarHBondContact O-N 3.45Å; D380-G383 PolarHBondContact O-N 2.96Å; D380-G383 VanDerWaalsContact O-N 3.08Å
381	I	97.8	Very high	96.6	Very high	22 Å²	22	53.6 Å²	53.6	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-44.4	176.7	-64	170.5	0	0	0	111.3	V308 T312 L316 V332 R376 R377 V378 G383	V308-I381 HydrophobicContact CG1-CG2 4.25Å; T312-I381 HydrophobicContact CG2-CG2 4.16Å; L316-I381 HydrophobicContact CD1-CD1 3.72Å; L316-I381 HydrophobicContact CD1-CG2 4.41Å; V332-I381 HydrophobicContact CG1-CD1 4.14Å; V332-I381 HydrophobicContact CG2-CD1 3.99Å; R376-I381 HydrophobicContact CG-CD1 4.05Å; R376-I381 HydrophobicContact CG-CG1 4.19Å; R377-I381 PolarHBondContact O-N 3.35Å; R377-I381 VanDerWaalsContact O-N 3.13Å; V378-I381 PolarHBondContact O-N 3.34Å; I381-G383 PolarHBondContact O-N 3.25Å
382	L	98.2	Very high	96.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.1	178.2	-65.4	178.8	0	0	0	112.7	V308 V378 D380 V384 G388 P389 Y404 F407 K408	V308-L382 HydrophobicContact CG1-CD2 4.22Å; V308-L382 HydrophobicContact CG2-CD2 4.47Å; V378-L382 HydrophobicContact CG1-CD1 3.75Å; V378-L382 HydrophobicContact CG1-CG 4.09Å; V378-L382 WeakPolarHBondContact O-CB 3.38Å; V378-L382 WeakPolarHBondContact O-CG 3.43Å; V378-L382 PolarHBondContact O-N 3.12Å; D380-L382 VanDerWaalsContact C-N 3.35Å; D380-L382 PolarHBondContact O-N 3.45Å; L382-V384 VanDerWaalsContact C-N 3.35Å; L382-V384 HydrophobicContact CB-CG2 4.11Å; L382-G388 CarbonylContact O-C 3.32Å; L382-G388 VanDerWaalsContact O-C 3.31Å; L382-G388 VanDerWaalsContact O-CA 3.28Å; L382-G388 WeakPolarHBondContact O-CA 3.34Å; L382-P389 WeakPolarHBondContact O-CD 3.44Å; L382-Y404 HydrophobicContact CB-CD1 4.42Å; L382-F407 HydrophobicContact CD1-CD1 3.87Å; L382-F407 HydrophobicContact CD1-CE1 4.28Å; L382-F407 HydrophobicContact CD2-CD1 4Å; L382-F407 HydrophobicContact CD2-CE1 3.68Å; L382-K408 HydrophobicContact CD1-CB 3.99Å
383	G	97.8	Very high	96.7	Very high	4 Å²	4	44.1 Å²	44.1	4%	0.041	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	41.6	-176.1	0	0	0	0	0	112.7	H379 D380 I381 D385 H386 G387 G388	H379-G383 PolarHBondContact O-N 3.37Å; D380-G383 PolarHBondContact O-N 2.96Å; D380-G383 VanDerWaalsContact O-N 3.08Å; I381-G383 PolarHBondContact O-N 3.25Å; G383-D385 VanDerWaalsContact C-N 3.26Å; G383-D385 PolarHBondContact O-N 3.37Å; G383-H386 PolarHBondContact O-N 3.3Å; G383-G387 PolarHBondContact O-N 2.9Å; G383-G388 WeakPolarHBondContact O-CA 3.39Å; G383-G388 PolarHBondContact O-N 3.5Å
384	V	97.6	Very high	96.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-45.4	-173	176.2	0	0	0	0	111.7	H379 L382 V401 L405 K408	H379-V384 HydrophobicContact CB-CG2 4.38Å; H379-V384 VanDerWaalsContact CE1-CB 3.48Å; H379-V384 WeakPolarHBondContact CE1-CB 3.48Å; H379-V384 VanDerWaalsContact CE1-CG1 3.5Å; H379-V384 WeakPolarHBondContact CE1-CG1 3.38Å; H379-V384 WeakPolarHBondContact O-CG2 3.18Å; H379-V384 PolarHBondContact O-N 3.4Å; L382-V384 VanDerWaalsContact C-N 3.35Å; L382-V384 HydrophobicContact CB-CG2 4.11Å; V384-V401 HydrophobicContact CG1-CG1 4.03Å; V384-L405 HydrophobicContact CG1-CD2 3.94Å; V384-L405 HydrophobicContact CG1-CG 4.06Å; V384-K408 HydrophobicContact CG2-CD 4.48Å
385	D	96.7	Very high	96.5	Very high	92 Å²	92	49.3 Å²	49.3	49%	0.492	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.3	-177.8	-63	-19.8	0	0	0	113.4	H379 G383	H379-D385 IonicContact CE1-OD1 2.72Å; H379-D385 IonicContact CE1-OD2 3.14Å; H379-D385 PolarHBondContact CE1-OD2 3.01Å; H379-D385 IonicContact NE2-OD1 3.62Å; H379-D385 IonicContact NE2-OD2 2.7Å; H379-D385 PolarHBondContact NE2-OD2 3.13Å; G383-D385 VanDerWaalsContact C-N 3.26Å; G383-D385 PolarHBondContact O-N 3.37Å
386	H	94.8	Very high	96.3	Very high	130 Å²	130	50.3 Å²	50.3	60%	0.602	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	18.6	-169.2	-58.4	-37.3	0	0	0	113.3	G383 G391	G383-H386 PolarHBondContact O-N 3.3Å; H386-G391 WeakPolarHBondContact O-CA 3.29Å
387	G	94.2	Very high	96.1	Very high	17 Å²	17	52.9 Å²	52.9	18%	0.175	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	40.2	179.9	0	0	0	0	0	112.8	G383 G391 R392 R393 T394	G383-G387 PolarHBondContact O-N 2.9Å; G387-G391 CarbonylContact O-C 3.31Å; G387-G391 VanDerWaalsContact O-C 3.23Å; G387-G391 WeakPolarHBondContact O-CA 3.39Å; G387-R392 PolarHBondContact O-N 3.01Å; G387-R393 CarbonylContact O-C 3.55Å; G387-R393 WeakPolarHBondContact O-CA 3.47Å; G387-R393 VanDerWaalsContact O-CB 3.24Å; G387-R393 WeakPolarHBondContact O-CB 3.36Å; G387-R393 PolarHBondContact O-N 3.5Å; G387-T394 PolarHBondContact O-N 3.21Å
388	G	96.8	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	80.8	-174.5	175.3	0	0	0	0	0	115.1	L382 G383 G390 G391 Y404	L382-G388 CarbonylContact O-C 3.32Å; L382-G388 VanDerWaalsContact O-C 3.31Å; L382-G388 VanDerWaalsContact O-CA 3.28Å; L382-G388 WeakPolarHBondContact O-CA 3.34Å; G383-G388 WeakPolarHBondContact O-CA 3.39Å; G383-G388 PolarHBondContact O-N 3.5Å; G388-G390 PolarHBondContact O-N 3.42Å; G388-G390 VanDerWaalsContact O-N 3.12Å; G388-G391 PolarHBondContact O-N 3.17Å; G388-Y404 VanDerWaalsContact CA-CZ 3.42Å; G388-Y404 WeakPolarHBondContact CA-OH 3.09Å
389	P	96.8	Very high	95.8	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.039	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.2	118.4	-176	-26.9	36.5	0	0	0	112	H311 T312 L382 G391 R392	H311-P389 WeakPolarHBondContact NE2-CD 3.15Å; T312-P389 HydrophobicContact CG2-CB 4.15Å; T312-P389 HydrophobicContact CG2-CG 3.89Å; L382-P389 WeakPolarHBondContact O-CD 3.44Å; P389-G391 PolarHBondContact O-N 3.2Å; P389-R392 PolarHBondContact O-N 2.86Å; P389-R392 PolarHBondContact O-NE 2.79Å; P389-R392 PolarHBondContact O-NH2 3.03Å
390	G	94.7	Very high	95.6	Very high	81 Å²	81	49.7 Å²	49.7	84%	0.835	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	65.5	18.2	-176.6	0	0	0	0	0	114.9	G388 R392	G388-G390 PolarHBondContact O-N 3.42Å; G388-G390 VanDerWaalsContact O-N 3.12Å; G390-R392 PolarHBondContact O-N 3.04Å
391	G	96.2	Very high	95.6	Very high	27 Å²	27	50 Å²	50	28%	0.278	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	69.4	10.7	-176.9	0	0	0	0	0	115.7	H386 G387 G388 P389 R393 T394	H386-G391 WeakPolarHBondContact O-CA 3.29Å; G387-G391 CarbonylContact O-C 3.31Å; G387-G391 VanDerWaalsContact O-C 3.23Å; G387-G391 WeakPolarHBondContact O-CA 3.39Å; G388-G391 PolarHBondContact O-N 3.17Å; P389-G391 PolarHBondContact O-N 3.2Å; G391-R393 PolarHBondContact O-N 2.75Å; G391-T394 PolarHBondContact O-N 3.2Å; G391-T394 PolarHBondContact O-OG1 2.98Å
392	R	95.6	Very high	95.5	Very high	87 Å²	87	50.6 Å²	50.6	33%	0.328	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.4	-171.4	-64.6	176.2	-66.9	-169.7	8.6	114.3	R211 T312 G387 P389 G390	R211-R392 VanDerWaalsContact CA-NH1 3.32Å; R211-R392 PolarHBondContact O-NH2 3.25Å; T312-R392 PolarHBondContact O-NH2 3.28Å; G387-R392 PolarHBondContact O-N 3.01Å; P389-R392 PolarHBondContact O-N 2.86Å; P389-R392 PolarHBondContact O-NE 2.79Å; P389-R392 PolarHBondContact O-NH2 3.03Å; G390-R392 PolarHBondContact O-N 3.04Å
393	R	96.6	Very high	95.4	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.128	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	10.2	-177.7	-50.3	-64	-178.5	-174.5	-3.9	112.6	G212 V213 G387 G391 G395 E396 H399 Y404	G212-R393 PolarHBondContact O-NH2 2.98Å; V213-R393 PolarHBondContact O-NH2 3.23Å; G387-R393 CarbonylContact O-C 3.55Å; G387-R393 WeakPolarHBondContact O-CA 3.47Å; G387-R393 VanDerWaalsContact O-CB 3.24Å; G387-R393 WeakPolarHBondContact O-CB 3.36Å; G387-R393 PolarHBondContact O-N 3.5Å; G391-R393 PolarHBondContact O-N 2.75Å; R393-G395 PolarHBondContact O-N 3.22Å; R393-E396 WeakPolarHBondContact CD-OE2 3.36Å; R393-E396 IonicContact CZ-OE2 3.81Å; R393-E396 IonicContact NE-OE2 3.78Å; R393-E396 IonicContact NH1-OE1 3.45Å; R393-E396 PolarHBondContact NH1-OE1 3.46Å; R393-E396 IonicContact NH1-OE2 3.79Å; R393-E396 PolarHBondContact NH1-OE2 2.86Å; R393-E396 WeakPolarHBondContact O-CB 3.36Å; R393-E396 PolarHBondContact O-N 3.4Å; R393-H399 HydrophobicContact CB-CB 3.91Å; R393-Y404 WeakPolarHBondContact CG-OH 3.45Å
394	T	94.9	Very high	95.4	Very high	103 Å²	103	51 Å²	51	63%	0.632	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121	179.7	-57.3	0	0	0	0	110.3	G387 G391 E396	G387-T394 PolarHBondContact O-N 3.21Å; G391-T394 PolarHBondContact O-N 3.2Å; G391-T394 PolarHBondContact O-OG1 2.98Å; T394-E396 VanDerWaalsContact C-N 3.26Å; T394-E396 PolarHBondContact O-N 2.85Å
395	G	92.5	Very high	95.4	Very high	83 Å²	83	55 Å²	55	86%	0.856	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0	-179.2	0	0	0	0	0	115.5	R393	R393-G395 PolarHBondContact O-N 3.22Å
396	E	94.5	Very high	95.5	Very high	74 Å²	74	54.2 Å²	54.2	35%	0.346	35%	0.346	S	S	.	.			trans	-76	132.2	175.5	-69.4	-173.6	-164.8	0	0	111.1	R393 T394 H399	R393-E396 WeakPolarHBondContact CD-OE2 3.36Å; R393-E396 IonicContact CZ-OE2 3.81Å; R393-E396 IonicContact NE-OE2 3.78Å; R393-E396 IonicContact NH1-OE1 3.45Å; R393-E396 PolarHBondContact NH1-OE1 3.46Å; R393-E396 IonicContact NH1-OE2 3.79Å; R393-E396 PolarHBondContact NH1-OE2 2.86Å; R393-E396 WeakPolarHBondContact O-CB 3.36Å; R393-E396 PolarHBondContact O-N 3.4Å; T394-E396 VanDerWaalsContact C-N 3.26Å; T394-E396 PolarHBondContact O-N 2.85Å; E396-H399 PolarHBondContact O-N 3.45Å; E396-H399 IonicContact OE2-CE1 3.01Å; E396-H399 PolarHBondContact OE2-CE1 3.37Å; E396-H399 IonicContact OE2-ND1 2.6Å
397	P	92.1	Very high	95.6	Very high	106 Å²	106	48 Å²	48	69%	0.688	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	143.9	171.9	-25.3	34.3	0	0	0	112.5	H399	P397-H399 VanDerWaalsContact C-N 3.31Å; P397-H399 PolarHBondContact O-N 3.08Å; P397-H399 PolarHBondContact O-ND1 2.97Å; P397-H399 VanDerWaalsContact O-ND1 3.11Å
398	G	91.5	Very high	95.8	Very high	18 Å²	18	49.9 Å²	49.9	19%	0.186	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	12.4	179.9	0	0	0	0	0	115.8
399	H	96.1	Very high	95.9	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.069	34%	0.337	C	S	.	.			trans	-124.1	39.6	176.5	-60.3	90	0	0	0	111.6	L215 H311 R393 E396 P397 Y404	L215-H399 PolarHBondContact N-NE2 3.45Å; H311-H399 AromaticContact CE1-CD2 3.8Å; H311-H399 AromaticContact CE1-NE2 3.83Å; R393-H399 HydrophobicContact CB-CB 3.91Å; E396-H399 PolarHBondContact O-N 3.45Å; E396-H399 IonicContact OE2-CE1 3.01Å; E396-H399 PolarHBondContact OE2-CE1 3.37Å; E396-H399 IonicContact OE2-ND1 2.6Å; P397-H399 VanDerWaalsContact C-N 3.31Å; P397-H399 PolarHBondContact O-N 3.08Å; P397-H399 PolarHBondContact O-ND1 2.97Å; P397-H399 VanDerWaalsContact O-ND1 3.11Å; H399-Y404 HydrophobicContact CB-CE2 3.88Å; H399-Y404 PolarHBondContact CD2-OH 3.33Å; H399-Y404 VanDerWaalsContact O-CE2 3.32Å; H399-Y404 WeakPolarHBondContact O-CE2 3.42Å
400	T	95.4	Very high	96	Very high	78 Å²	78	52.6 Å²	52.6	48%	0.479	34%	0.335	S	S	.	.			trans	-71	159.1	178	70.2	0	0	0	0	111	G402 D403 Y404	T400-G402 PolarHBondContact O-N 3.15Å; T400-G402 PolarHBondContact OG1-N 2.95Å; T400-D403 WeakPolarHBondContact CB-OD2 3.44Å; T400-D403 PolarHBondContact N-OD2 3.18Å; T400-D403 PolarHBondContact O-N 3.29Å; T400-D403 PolarHBondContact OG1-N 3.01Å; T400-D403 VanDerWaalsContact OG1-N 3.1Å; T400-D403 PolarHBondContact OG1-OD2 3.18Å; T400-Y404 VanDerWaalsContact O-CD2 3.3Å; T400-Y404 WeakPolarHBondContact O-CD2 3.33Å; T400-Y404 PolarHBondContact O-N 3.39Å
401	V	96.4	Very high	96.2	Very high	72 Å²	72	48.8 Å²	48.8	44%	0.436	30%	0.295	S	S	.	.	H	α-helix	trans	-52.1	-41	170.8	-179.2	0	0	0	0	110.5	V384 D403 Y404 L405	V384-V401 HydrophobicContact CG1-CG1 4.03Å; V401-D403 PolarHBondContact O-N 3.43Å; V401-Y404 PolarHBondContact O-N 3.27Å; V401-L405 HydrophobicContact CG1-CD1 4.12Å; V401-L405 HydrophobicContact CG1-CG 4.34Å; V401-L405 VanDerWaalsContact O-CG 3.31Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 2.96Å
402	G	95.9	Very high	96.3	Very high	34 Å²	34	50.7 Å²	50.7	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-36.2	177	0	0	0	0	0	114	T400 K406	T400-G402 PolarHBondContact O-N 3.15Å; T400-G402 PolarHBondContact OG1-N 2.95Å; G402-K406 WeakPolarHBondContact O-CG 3.5Å; G402-K406 PolarHBondContact O-N 3.28Å
403	D	96.2	Very high	96.5	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.059	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-41.3	175.2	-61.8	-48.2	0	0	0	111.6	L215 T400 V401 K406 F407	L215-D403 HydrophobicContact CD2-CB 3.71Å; T400-D403 WeakPolarHBondContact CB-OD2 3.44Å; T400-D403 PolarHBondContact N-OD2 3.18Å; T400-D403 PolarHBondContact O-N 3.29Å; T400-D403 PolarHBondContact OG1-N 3.01Å; T400-D403 VanDerWaalsContact OG1-N 3.1Å; T400-D403 PolarHBondContact OG1-OD2 3.18Å; V401-D403 PolarHBondContact O-N 3.43Å; D403-K406 PolarHBondContact O-N 3.4Å; D403-K406 IonicContact OD1-NZ 2.87Å; D403-F407 PolarHBondContact O-N 3.44Å
404	Y	97.9	Very high	96.6	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-37.6	175.3	-80.9	-63.8	0	0	0	113.2	L215 H311 L382 G388 R393 H399 T400 V401 F407 K408	L215-Y404 HydrophobicContact CD2-CD1 4.25Å; L215-Y404 HydrophobicContact CD2-CE1 4.27Å; H311-Y404 AromaticContact CD2-CE1 3.85Å; H311-Y404 AromaticContact NE2-CE1 3.28Å; H311-Y404 VanDerWaalsContact NE2-CE1 3.28Å; H311-Y404 WeakPolarHBondContact NE2-CE1 3.21Å; H311-Y404 AromaticContact NE2-CZ 3.61Å; H311-Y404 PolarHBondContact NE2-OH 3.08Å; H311-Y404 VanDerWaalsContact NE2-OH 3.09Å; L382-Y404 HydrophobicContact CB-CD1 4.42Å; G388-Y404 VanDerWaalsContact CA-CZ 3.42Å; G388-Y404 WeakPolarHBondContact CA-OH 3.09Å; R393-Y404 WeakPolarHBondContact CG-OH 3.45Å; H399-Y404 HydrophobicContact CB-CE2 3.88Å; H399-Y404 PolarHBondContact CD2-OH 3.33Å; H399-Y404 VanDerWaalsContact O-CE2 3.32Å; H399-Y404 WeakPolarHBondContact O-CE2 3.42Å; T400-Y404 VanDerWaalsContact O-CD2 3.3Å; T400-Y404 WeakPolarHBondContact O-CD2 3.33Å; T400-Y404 PolarHBondContact O-N 3.39Å; V401-Y404 PolarHBondContact O-N 3.27Å; Y404-F407 PolarHBondContact O-N 3.17Å; Y404-K408 VanDerWaalsContact O-CB 3.27Å; Y404-K408 WeakPolarHBondContact O-CB 3.49Å; Y404-K408 PolarHBondContact O-N 3Å
405	L	98	Very high	96.8	Very high	85 Å²	85	46.3 Å²	46.3	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175.2	-74.4	172.6	0	0	0	111.5	V384 V401 K408 D409	V384-L405 HydrophobicContact CG1-CD2 3.94Å; V384-L405 HydrophobicContact CG1-CG 4.06Å; V401-L405 HydrophobicContact CG1-CD1 4.12Å; V401-L405 HydrophobicContact CG1-CG 4.34Å; V401-L405 VanDerWaalsContact O-CG 3.31Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 2.96Å; L405-K408 PolarHBondContact O-N 2.75Å; L405-D409 PolarHBondContact O-N 3.3Å
406	K	97.9	Very high	97.1	Very high	76 Å²	76	44.9 Å²	44.9	33%	0.33	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-40.1	173.6	-64.9	164.3	-168.3	166.1	0	111.7	G402 D403 L410 H431 H432 F433	G402-K406 WeakPolarHBondContact O-CG 3.5Å; G402-K406 PolarHBondContact O-N 3.28Å; D403-K406 PolarHBondContact O-N 3.4Å; D403-K406 IonicContact OD1-NZ 2.87Å; K406-L410 PolarHBondContact O-N 3.14Å; K406-H431 PolarHBondContact O-CE1 3.32Å; K406-H432 HydrophobicContact CG-CB 4.43Å; K406-F433 HydrophobicContact CB-CB 4.25Å; K406-F433 HydrophobicContact CB-CD2 4.25Å
407	F	98.3	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-47	177.9	-175.3	-131.9	0	0	0	111.4	L215 T218 L307 H311 L382 D403 Y404 D409 L410 I411 F433	L215-F407 HydrophobicContact CD1-CB 4.06Å; L215-F407 HydrophobicContact CD1-CD1 3.65Å; L215-F407 HydrophobicContact CD1-CD2 4.25Å; L215-F407 HydrophobicContact CD1-CE1 4.13Å; L215-F407 HydrophobicContact CD1-CG 3.73Å; T218-F407 HydrophobicContact CG2-CE2 3.98Å; T218-F407 HydrophobicContact CG2-CZ 3.82Å; L307-F407 HydrophobicContact CB-CE2 4.12Å; L307-F407 HydrophobicContact CB-CZ 4.07Å; H311-F407 HydrophobicContact CB-CE1 4.36Å; L382-F407 HydrophobicContact CD1-CD1 3.87Å; L382-F407 HydrophobicContact CD1-CE1 4.28Å; L382-F407 HydrophobicContact CD2-CD1 4Å; L382-F407 HydrophobicContact CD2-CE1 3.68Å; D403-F407 PolarHBondContact O-N 3.44Å; Y404-F407 PolarHBondContact O-N 3.17Å; F407-D409 VanDerWaalsContact C-N 3.34Å; F407-D409 PolarHBondContact O-N 3.34Å; F407-L410 PolarHBondContact O-N 2.6Å; F407-I411 HydrophobicContact CD2-CD1 4.43Å; F407-I411 HydrophobicContact CD2-CG1 4.13Å; F407-I411 HydrophobicContact CE1-CG1 4.29Å; F407-I411 HydrophobicContact CE2-CD1 3.7Å; F407-I411 HydrophobicContact CE2-CG1 3.79Å; F407-I411 HydrophobicContact CG-CG1 4.5Å; F407-I411 HydrophobicContact CZ-CD1 3.86Å; F407-I411 HydrophobicContact CZ-CG1 3.88Å; F407-I411 WeakPolarHBondContact O-CG1 3.41Å; F407-I411 PolarHBondContact O-N 2.84Å; F407-F433 HydrophobicContact CB-CD2 3.9Å; F407-F433 HydrophobicContact CB-CE2 3.65Å; F407-F433 HydrophobicContact CB-CZ 4.26Å; F407-F433 HydrophobicContact CD2-CD1 4.36Å; F407-F433 HydrophobicContact CD2-CD2 4.31Å; F407-F433 AromaticContact CD2-CE1 3.81Å; F407-F433 HydrophobicContact CD2-CE1 3.81Å; F407-F433 AromaticContact CD2-CE2 3.81Å; F407-F433 HydrophobicContact CD2-CE2 3.81Å; F407-F433 AromaticContact CD2-CZ 3.52Å; F407-F433 HydrophobicContact CD2-CZ 3.52Å; F407-F433 HydrophobicContact CE2-CE1 4.3Å; F407-F433 HydrophobicContact CE2-CZ 4.18Å; F407-F433 HydrophobicContact CG-CE2 4.01Å; F407-F433 HydrophobicContact CG-CZ 4.12Å
408	K	98.5	Very high	97.5	Very high	56 Å²	56	39.5 Å²	39.5	24%	0.243	21%	0.21	C	C	.	.	H	α-helix	trans	-54.3	-47.7	175	176.8	-169.6	163	-170.1	0	111.6	V378 H379 L382 V384 Y404 L405 L410 I411 L412	V378-K408 HydrophobicContact CG1-CG 4.25Å; H379-K408 HydrophobicContact CB-CD 4.04Å; L382-K408 HydrophobicContact CD1-CB 3.99Å; V384-K408 HydrophobicContact CG2-CD 4.48Å; Y404-K408 VanDerWaalsContact O-CB 3.27Å; Y404-K408 WeakPolarHBondContact O-CB 3.49Å; Y404-K408 PolarHBondContact O-N 3Å; L405-K408 PolarHBondContact O-N 2.75Å; K408-L410 PolarHBondContact O-N 2.99Å; K408-I411 PolarHBondContact O-N 2.8Å; K408-L412 HydrophobicContact CG-CD1 4.03Å; K408-L412 HydrophobicContact CG-CG 4.5Å; K408-L412 WeakPolarHBondContact O-CG 3.33Å; K408-L412 PolarHBondContact O-N 2.87Å
409	D	98.6	Very high	97.7	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-46.8	179.1	-167.3	67.2	0	0	0	111.3	L405 F407 I411 L412 R413 H431	L405-D409 PolarHBondContact O-N 3.3Å; F407-D409 VanDerWaalsContact C-N 3.34Å; F407-D409 PolarHBondContact O-N 3.34Å; D409-I411 PolarHBondContact O-N 3.35Å; D409-L412 PolarHBondContact O-N 3.3Å; D409-R413 WeakPolarHBondContact O-CG 3.5Å; D409-R413 PolarHBondContact O-N 3.44Å; D409-R413 IonicContact OD2-CZ 3.48Å; D409-R413 IonicContact OD2-NE 2.85Å; D409-R413 PolarHBondContact OD2-NE 3.15Å; D409-R413 IonicContact OD2-NH2 3.24Å; D409-R413 PolarHBondContact OD2-NH2 3.16Å; D409-H431 IonicContact OD2-CE1 3.82Å; D409-H431 IonicContact OD2-NE2 2.96Å; D409-H431 PolarHBondContact OD2-NE2 3.11Å
410	L	98.7	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-46.9	177	-177.5	59.4	0	0	0	111.9	K406 F407 K408 R413 M414 I423 A428 H431 F433 F434	K406-L410 PolarHBondContact O-N 3.14Å; F407-L410 PolarHBondContact O-N 2.6Å; K408-L410 PolarHBondContact O-N 2.99Å; L410-R413 PolarHBondContact O-N 2.62Å; L410-M414 HydrophobicContact CD1-CE 3.89Å; L410-M414 HydrophobicContact CD2-CE 4.06Å; L410-M414 HydrophobicContact CG-CE 3.85Å; L410-M414 HydrophobicContact CG-SD 4.23Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.03Å; L410-I423 HydrophobicContact CD1-CD1 4.18Å; L410-A428 HydrophobicContact CD1-CB 4.29Å; L410-H431 HydrophobicContact CD1-CB 3.97Å; L410-F433 HydrophobicContact CD2-CB 4.1Å; L410-F433 HydrophobicContact CD2-CD1 3.56Å; L410-F433 HydrophobicContact CD2-CE1 4.35Å; L410-F433 HydrophobicContact CD2-CG 4.14Å; L410-F434 HydrophobicContact CD2-CE2 4.16Å; L410-F434 HydrophobicContact CD2-CZ 4.18Å
411	I	98.7	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-45.3	179.9	-67	-55.1	0	0	0	111.2	L307 V308 V378 F407 K408 D409 R413 M414 L415	L307-I411 HydrophobicContact CB-CD1 3.82Å; L307-I411 HydrophobicContact CD1-CD1 4.28Å; V308-I411 HydrophobicContact CG2-CB 4.44Å; V308-I411 HydrophobicContact CG2-CD1 3.92Å; V308-I411 HydrophobicContact CG2-CG1 3.9Å; V308-I411 HydrophobicContact CG2-CG2 3.67Å; V378-I411 HydrophobicContact CG1-CG2 4.24Å; F407-I411 HydrophobicContact CD2-CD1 4.43Å; F407-I411 HydrophobicContact CD2-CG1 4.13Å; F407-I411 HydrophobicContact CE1-CG1 4.29Å; F407-I411 HydrophobicContact CE2-CD1 3.7Å; F407-I411 HydrophobicContact CE2-CG1 3.79Å; F407-I411 HydrophobicContact CG-CG1 4.5Å; F407-I411 HydrophobicContact CZ-CD1 3.86Å; F407-I411 HydrophobicContact CZ-CG1 3.88Å; F407-I411 WeakPolarHBondContact O-CG1 3.41Å; F407-I411 PolarHBondContact O-N 2.84Å; K408-I411 PolarHBondContact O-N 2.8Å; D409-I411 PolarHBondContact O-N 3.35Å; I411-R413 VanDerWaalsContact C-N 3.29Å; I411-R413 PolarHBondContact O-N 3.43Å; I411-M414 HydrophobicContact CD1-SD 4.32Å; I411-M414 WeakPolarHBondContact O-CB 3.39Å; I411-M414 PolarHBondContact O-N 3.39Å; I411-M414 VanDerWaalsContact O-N 3.12Å; I411-L415 HydrophobicContact CG2-CD1 3.67Å; I411-L415 HydrophobicContact CG2-CG 4.24Å; I411-L415 WeakPolarHBondContact O-CB 3.47Å; I411-L415 WeakPolarHBondContact O-CG 3.25Å; I411-L415 PolarHBondContact O-N 3.17Å
412	L	98.6	Very high	97.9	Very high	67 Å²	67	44.9 Å²	44.9	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-36.9	179	-71.9	173.9	0	0	0	111.9	L333 V378 K408 D409 L415 D416	L333-L412 HydrophobicContact CD2-CD2 4.14Å; V378-L412 HydrophobicContact CB-CD2 4.25Å; V378-L412 HydrophobicContact CG2-CD2 3.77Å; K408-L412 HydrophobicContact CG-CD1 4.03Å; K408-L412 HydrophobicContact CG-CG 4.5Å; K408-L412 WeakPolarHBondContact O-CG 3.33Å; K408-L412 PolarHBondContact O-N 2.87Å; D409-L412 PolarHBondContact O-N 3.3Å; L412-L415 CarbonylContact O-C 3.44Å; L412-L415 PolarHBondContact O-N 3.09Å; L412-D416 PolarHBondContact O-N 3.44Å
413	R	98.7	Very high	98.1	Very high	130 Å²	130	44 Å²	44	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-70	-29.5	173.9	-65.3	-177.2	-170.6	-126	0.4	113.6	D409 L410 I411 I423	D409-R413 WeakPolarHBondContact O-CG 3.5Å; D409-R413 PolarHBondContact O-N 3.44Å; D409-R413 IonicContact OD2-CZ 3.48Å; D409-R413 IonicContact OD2-NE 2.85Å; D409-R413 PolarHBondContact OD2-NE 3.15Å; D409-R413 IonicContact OD2-NH2 3.24Å; D409-R413 PolarHBondContact OD2-NH2 3.16Å; L410-R413 PolarHBondContact O-N 2.62Å; I411-R413 VanDerWaalsContact C-N 3.29Å; I411-R413 PolarHBondContact O-N 3.43Å; R413-I423 HydrophobicContact CB-CB 3.9Å; R413-I423 HydrophobicContact CB-CD1 4.28Å; R413-I423 HydrophobicContact CB-CG2 3.9Å; R413-I423 WeakPolarHBondContact O-CG2 3.5Å; R413-I423 PolarHBondContact O-N 2.96Å
414	M	98.8	Very high	98.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.5	-29.8	172	-72.4	176.8	169.2	0	0	112.3	M300 L303 L307 L410 I411 R422 I423 A428	M300-M414 HydrophobicContact CE-CE 3.9Å; M300-M414 HydrophobicContact CE-CG 3.96Å; L303-M414 HydrophobicContact CD2-CE 3.78Å; L303-M414 HydrophobicContact CG-CE 4.1Å; L303-M414 HydrophobicContact CG-SD 4.25Å; L307-M414 HydrophobicContact CD1-CE 3.99Å; L307-M414 HydrophobicContact CD1-SD 3.93Å; L410-M414 HydrophobicContact CD1-CE 3.89Å; L410-M414 HydrophobicContact CD2-CE 4.06Å; L410-M414 HydrophobicContact CG-CE 3.85Å; L410-M414 HydrophobicContact CG-SD 4.23Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.03Å; I411-M414 HydrophobicContact CD1-SD 4.32Å; I411-M414 WeakPolarHBondContact O-CB 3.39Å; I411-M414 PolarHBondContact O-N 3.39Å; I411-M414 VanDerWaalsContact O-N 3.12Å; M414-R422 WeakPolarHBondContact O-CD 3.45Å; M414-R422 WeakPolarHBondContact O-CG 3.48Å; M414-I423 HydrophobicContact CB-CG2 4.43Å; M414-I423 HydrophobicContact CG-CG2 3.77Å; M414-A428 HydrophobicContact CE-CB 4.48Å
415	L	98.8	Very high	98.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	24.7	-178.5	-60.1	180	0	0	0	112.7	W301 L316 F317 L333 I411 L412 Y417	W301-L415 HydrophobicContact CD2-CD2 3.82Å; W301-L415 HydrophobicContact CE3-CB 4.35Å; W301-L415 HydrophobicContact CE3-CD2 3.93Å; W301-L415 HydrophobicContact CG-CD2 4.31Å; W301-L415 HydrophobicContact CH2-CD2 4.4Å; W301-L415 HydrophobicContact CZ2-CD2 4.29Å; W301-L415 HydrophobicContact CZ3-CB 4.09Å; W301-L415 HydrophobicContact CZ3-CD2 4.23Å; W301-L415 WeakPolarHBondContact CZ3-O 3.36Å; L316-L415 HydrophobicContact CD2-CD1 3.57Å; F317-L415 HydrophobicContact CE2-CD1 4.25Å; F317-L415 HydrophobicContact CE2-CD2 4.41Å; F317-L415 HydrophobicContact CZ-CD1 4.28Å; L333-L415 HydrophobicContact CD1-CB 4.11Å; L333-L415 WeakPolarHBondContact CD1-O 3.41Å; L333-L415 HydrophobicContact CD2-CB 4.37Å; I411-L415 HydrophobicContact CG2-CD1 3.67Å; I411-L415 HydrophobicContact CG2-CG 4.24Å; I411-L415 WeakPolarHBondContact O-CB 3.47Å; I411-L415 WeakPolarHBondContact O-CG 3.25Å; I411-L415 PolarHBondContact O-N 3.17Å; L412-L415 CarbonylContact O-C 3.44Å; L412-L415 PolarHBondContact O-N 3.09Å; L415-Y417 PolarHBondContact O-N 3.13Å
416	D	98.6	Very high	98.2	Very high	52 Å²	52	48.9 Å²	48.9	28%	0.278	23%	0.234	S	C	.	.			trans	-62.5	134.6	171.2	-164.7	-18.2	0	0	0	109.9	L412 D418 T421 R422	L412-D416 PolarHBondContact O-N 3.44Å; D416-D418 PolarHBondContact OD1-N 2.99Å; D416-T421 VanDerWaalsContact CG-OG1 3.27Å; D416-T421 WeakPolarHBondContact OD2-CB 3.47Å; D416-T421 PolarHBondContact OD2-OG1 3.13Å; D416-R422 HydrophobicContact CB-CB 4.03Å; D416-R422 HydrophobicContact CB-CG 4.28Å; D416-R422 PolarHBondContact O-NE 3.34Å; D416-R422 PolarHBondContact O-NH2 3.46Å
417	Y	98.4	Very high	98.2	Very high	16 Å²	16	52 Å²	52	6%	0.063	24%	0.244	C	C	.	.	S	Bend	trans	-64.2	-40.7	178.3	-84.1	-65.3	0	0	0	111.7	P286 I329 L333 G334 P336 L415 P419 R422	P286-Y417 HydrophobicContact CB-CD1 3.97Å; P286-Y417 HydrophobicContact CB-CE1 4.29Å; P286-Y417 HydrophobicContact CG-CD1 3.73Å; P286-Y417 HydrophobicContact CG-CE1 3.96Å; I329-Y417 HydrophobicContact CG2-CE1 3.86Å; I329-Y417 WeakPolarHBondContact CG2-OH 3.26Å; L333-Y417 HydrophobicContact CB-CE2 3.59Å; L333-Y417 HydrophobicContact CD1-CE2 4.28Å; G334-Y417 PolarHBondContact O-OH 3.13Å; P336-Y417 HydrophobicContact CB-CD1 3.88Å; P336-Y417 HydrophobicContact CB-CD2 4.49Å; P336-Y417 HydrophobicContact CB-CE1 4Å; P336-Y417 HydrophobicContact CB-CG 4.14Å; P336-Y417 HydrophobicContact CG-CD1 4.04Å; P336-Y417 HydrophobicContact CG-CE1 3.65Å; L415-Y417 PolarHBondContact O-N 3.13Å; Y417-P419 VanDerWaalsContact O-CD 3.27Å; Y417-P419 WeakPolarHBondContact O-CD 3.4Å; Y417-R422 PolarHBondContact O-NH2 3.28Å
418	D	96.9	Very high	98.2	Very high	52 Å²	52	52 Å²	52	28%	0.278	24%	0.244	S	C	.	.	S	Bend	trans	-81.7	113.6	179.1	-175.7	-5.5	0	0	0	109.6	D416 K420 T421 R422	D416-D418 PolarHBondContact OD1-N 2.99Å; D418-K420 PolarHBondContact O-N 3.3Å; D418-K420 VanDerWaalsContact O-N 3.09Å; D418-K420 VanDerWaalsContact OD1-CB 3.29Å; D418-K420 WeakPolarHBondContact OD1-CB 3.44Å; D418-K420 WeakPolarHBondContact OD1-CG 3.33Å; D418-K420 PolarHBondContact OD1-N 2.94Å; D418-T421 WeakPolarHBondContact CB-OG1 3.47Å; D418-T421 PolarHBondContact O-N 3.39Å; D418-T421 VanDerWaalsContact O-N 3.16Å; D418-T421 PolarHBondContact O-OG1 3.47Å; D418-R422 PolarHBondContact O-N 2.84Å
419	P	96.8	Very high	98.1	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.123	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.6	178	25.6	-34.9	0	0	0	113.2	A297 Y417	A297-P419 HydrophobicContact CB-CB 3.87Å; Y417-P419 VanDerWaalsContact O-CD 3.27Å; Y417-P419 WeakPolarHBondContact O-CD 3.4Å
420	K	96.3	Very high	98	Very high	184 Å²	184	53.7 Å²	53.7	80%	0.8	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.5	178.2	-61.6	175.7	-178.7	173.7	0	113.3	D418	D418-K420 PolarHBondContact O-N 3.3Å; D418-K420 VanDerWaalsContact O-N 3.09Å; D418-K420 VanDerWaalsContact OD1-CB 3.29Å; D418-K420 WeakPolarHBondContact OD1-CB 3.44Å; D418-K420 WeakPolarHBondContact OD1-CG 3.33Å; D418-K420 PolarHBondContact OD1-N 2.94Å
421	T	97.6	Very high	98	Very high	86 Å²	86	54.4 Å²	54.4	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-15.7	-179.1	55.4	0	0	0	0	112.8	D416 D418 I423	D416-T421 VanDerWaalsContact CG-OG1 3.27Å; D416-T421 WeakPolarHBondContact OD2-CB 3.47Å; D416-T421 PolarHBondContact OD2-OG1 3.13Å; D418-T421 WeakPolarHBondContact CB-OG1 3.47Å; D418-T421 PolarHBondContact O-N 3.39Å; D418-T421 VanDerWaalsContact O-N 3.16Å; D418-T421 PolarHBondContact O-OG1 3.47Å; T421-I423 PolarHBondContact O-N 3.15Å
422	R	98.6	Very high	97.8	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.026	28%	0.279	C	S	.	.	S	Bend	trans	-50.7	133.1	171.4	-166	179.1	-62	145	6.6	111	E287 A297 M414 D416 Y417 D418 T424	E287-R422 IonicContact OE1-CZ 3.39Å; E287-R422 IonicContact OE1-NH1 2.86Å; E287-R422 PolarHBondContact OE1-NH1 3.33Å; E287-R422 IonicContact OE1-NH2 2.69Å; E287-R422 PolarHBondContact OE1-NH2 3.09Å; E287-R422 IonicContact OE2-CZ 2.86Å; E287-R422 IonicContact OE2-NH1 3.49Å; E287-R422 IonicContact OE2-NH2 3.67Å; E287-R422 PolarHBondContact OE2-NH2 3.02Å; A297-R422 VanDerWaalsContact C-NH1 3.31Å; A297-R422 WeakPolarHBondContact O-CD 3.28Å; A297-R422 PolarHBondContact O-NH1 2.93Å; M414-R422 WeakPolarHBondContact O-CD 3.45Å; M414-R422 WeakPolarHBondContact O-CG 3.48Å; D416-R422 HydrophobicContact CB-CB 4.03Å; D416-R422 HydrophobicContact CB-CG 4.28Å; D416-R422 PolarHBondContact O-NE 3.34Å; D416-R422 PolarHBondContact O-NH2 3.46Å; Y417-R422 PolarHBondContact O-NH2 3.28Å; D418-R422 PolarHBondContact O-N 2.84Å; R422-T424 PolarHBondContact O-N 3.08Å
423	I	98.7	Very high	97.7	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.082	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58	131	-174.6	-165.3	171	0	0	0	111.4	M300 L410 R413 M414 T421 A428	M300-I423 HydrophobicContact CE-CG2 3.78Å; M300-I423 VanDerWaalsContact CE-O 3.24Å; M300-I423 WeakPolarHBondContact CE-O 3.44Å; L410-I423 HydrophobicContact CD1-CD1 4.18Å; R413-I423 HydrophobicContact CB-CB 3.9Å; R413-I423 HydrophobicContact CB-CD1 4.28Å; R413-I423 HydrophobicContact CB-CG2 3.9Å; R413-I423 WeakPolarHBondContact O-CG2 3.5Å; R413-I423 PolarHBondContact O-N 2.96Å; M414-I423 HydrophobicContact CB-CG2 4.43Å; M414-I423 HydrophobicContact CG-CG2 3.77Å; T421-I423 PolarHBondContact O-N 3.15Å; I423-A428 HydrophobicContact CD1-CB 4.07Å; I423-A428 HydrophobicContact CG1-CB 4.22Å
424	T	98.4	Very high	97.6	Very high	63 Å²	63	51.7 Å²	51.7	39%	0.387	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-80.1	160.2	176	72	0	0	0	0	110.8	R422 Y426 Y427 A428	R422-T424 PolarHBondContact O-N 3.08Å; T424-Y426 PolarHBondContact O-N 3.04Å; T424-Y427 PolarHBondContact O-N 3.46Å; T424-Y427 VanDerWaalsContact OG1-CD2 3.24Å; T424-Y427 WeakPolarHBondContact OG1-CD2 3.17Å; T424-A428 WeakPolarHBondContact O-CB 3.32Å; T424-A428 PolarHBondContact O-N 2.88Å
425	P	98.1	Very high	96.8	Very high	13 Å²	13	58 Å²	58	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-54.5	-35.9	177	-27.4	35	0	0	0	114.1	C226 L229 L230 M300 A428 L429	C226-P425 WeakPolarHBondContact O-CB 3.39Å; L229-P425 HydrophobicContact CB-CB 4.03Å; L229-P425 HydrophobicContact CB-CG 3.62Å; L230-P425 HydrophobicContact CB-CB 3.81Å; L230-P425 HydrophobicContact CD1-CB 4.43Å; M300-P425 HydrophobicContact CG-CG 4.26Å; M300-P425 HydrophobicContact SD-CB 4.46Å; M300-P425 HydrophobicContact SD-CG 3.83Å; P425-A428 PolarHBondContact O-N 3.45Å; P425-L429 WeakPolarHBondContact O-CG 3.33Å; P425-L429 PolarHBondContact O-N 2.85Å; P425-L429 VanDerWaalsContact O-N 3.09Å
426	Y	97.3	Very high	94.9	Very high	123 Å²	123	65.7 Å²	65.7	48%	0.482	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-53.8	177.2	177	-94.5	0	0	0	111.8	T424 A428 L429 Q430	T424-Y426 PolarHBondContact O-N 3.04Å; Y426-A428 VanDerWaalsContact C-N 3.31Å; Y426-A428 PolarHBondContact O-N 3.18Å; Y426-L429 PolarHBondContact O-N 3.3Å; Y426-Q430 PolarHBondContact O-N 3.22Å; Y426-Q430 PolarHBondContact OH-NE2 3.35Å
427	Y	97.9	Very high	92.8	Very high	140 Å²	140	65.2 Å²	65.2	55%	0.549	31%	0.306	S	S	.	.	H	α-helix	trans	-69.7	-30.6	179.5	-68.4	-61.7	0	0	0	112.1	T424 Q430 H431	T424-Y427 PolarHBondContact O-N 3.46Å; T424-Y427 VanDerWaalsContact OG1-CD2 3.24Å; T424-Y427 WeakPolarHBondContact OG1-CD2 3.17Å; Y427-Q430 PolarHBondContact O-N 2.87Å; Y427-H431 PolarHBondContact O-N 3.22Å
428	A	98.3	Very high	90.4	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-45.5	174.1	0	0	0	0	0	111.3	M300 L410 M414 I423 T424 P425 Y426 Q430 H431 F434	M300-A428 HydrophobicContact CE-CB 3.89Å; L410-A428 HydrophobicContact CD1-CB 4.29Å; M414-A428 HydrophobicContact CE-CB 4.48Å; I423-A428 HydrophobicContact CD1-CB 4.07Å; I423-A428 HydrophobicContact CG1-CB 4.22Å; T424-A428 WeakPolarHBondContact O-CB 3.32Å; T424-A428 PolarHBondContact O-N 2.88Å; P425-A428 PolarHBondContact O-N 3.45Å; Y426-A428 VanDerWaalsContact C-N 3.31Å; Y426-A428 PolarHBondContact O-N 3.18Å; A428-Q430 PolarHBondContact O-N 3.28Å; A428-H431 WeakPolarHBondContact O-CB 3.38Å; A428-H431 PolarHBondContact O-N 3.2Å; A428-F434 WeakPolarHBondContact O-CD2 3.5Å; A428-F434 WeakPolarHBondContact O-CE2 3.48Å
429	L	97	Very high	87.9	Confident	51 Å²	51	74.6 Å²	74.6	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-22.8	177.3	-74.3	167.7	0	0	0	113.8	Q223 C226 K227 L230 P425 Y426	Q223-L429 HydrophobicContact CG-CD2 4.1Å; C226-L429 HydrophobicContact CB-CD1 4.49Å; C226-L429 HydrophobicContact CB-CD2 3.73Å; C226-L429 HydrophobicContact CB-CG 3.78Å; K227-L429 HydrophobicContact CB-CD1 4.4Å; L230-L429 HydrophobicContact CB-CD1 4.42Å; L230-L429 HydrophobicContact CD2-CD1 3.78Å; P425-L429 WeakPolarHBondContact O-CG 3.33Å; P425-L429 PolarHBondContact O-N 2.85Å; P425-L429 VanDerWaalsContact O-N 3.09Å; Y426-L429 PolarHBondContact O-N 3.3Å
430	Q	96.7	Very high	85.2	Confident	105 Å²	105	80.5 Å²	80.5	49%	0.491	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.1	175.6	-63.8	-178.2	-8.4	0	0	113.3	Y426 Y427 A428	Y426-Q430 PolarHBondContact O-N 3.22Å; Y426-Q430 PolarHBondContact OH-NE2 3.35Å; Y427-Q430 PolarHBondContact O-N 2.87Å; A428-Q430 PolarHBondContact O-N 3.28Å
431	H	97.8	Very high	82.5	Confident	16 Å²	16	73.9 Å²	73.9	7%	0.074	37%	0.372	C	S	.	.	S	Bend	trans	-63.2	146.9	-175	-167.4	-95.5	0	0	0	112.6	K406 D409 L410 Y427 A428 F433 F434	K406-H431 PolarHBondContact O-CE1 3.32Å; D409-H431 IonicContact OD2-CE1 3.82Å; D409-H431 IonicContact OD2-NE2 2.96Å; D409-H431 PolarHBondContact OD2-NE2 3.11Å; L410-H431 HydrophobicContact CD1-CB 3.97Å; Y427-H431 PolarHBondContact O-N 3.22Å; A428-H431 WeakPolarHBondContact O-CB 3.38Å; A428-H431 PolarHBondContact O-N 3.2Å; H431-F433 WeakPolarHBondContact ND1-CB 3.32Å; H431-F433 PolarHBondContact ND1-N 2.86Å; H431-F433 VanDerWaalsContact ND1-N 3.17Å; H431-F433 PolarHBondContact O-N 2.84Å; H431-F434 HydrophobicContact CB-CD2 4.44Å; H431-F434 PolarHBondContact O-N 2.85Å
432	H	96.1	Very high	80	Confident	107 Å²	107	74 Å²	74	50%	0.495	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59.2	-20	-178.4	-67.9	-32.5	0	0	0	114.7	K406 F434 K435	K406-H432 HydrophobicContact CG-CB 4.43Å; H432-F434 PolarHBondContact O-N 3.37Å; H432-K435 PolarHBondContact CE1-NZ 3.19Å; H432-K435 VanDerWaalsContact ND1-CE 3.34Å; H432-K435 WeakPolarHBondContact ND1-CE 3.41Å; H432-K435 PolarHBondContact O-N 3.39Å
433	F	96.9	Very high	77.1	Confident	3 Å²	3	80.3 Å²	80.3	1%	0.013	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27.2	173.2	-176.7	-119	0	0	0	113.2	L215 R219 A222 K406 F407 L410 H431	L215-F433 HydrophobicContact CD1-CE2 3.96Å; L215-F433 HydrophobicContact CD1-CZ 3.97Å; L215-F433 HydrophobicContact CG-CE2 4.15Å; L215-F433 HydrophobicContact CG-CZ 4.39Å; R219-F433 HydrophobicContact CB-CE1 3.72Å; R219-F433 HydrophobicContact CB-CE2 4.46Å; R219-F433 HydrophobicContact CB-CZ 3.63Å; R219-F433 WeakPolarHBondContact CD-O 3.45Å; R219-F433 HydrophobicContact CG-CD1 4.14Å; R219-F433 HydrophobicContact CG-CE1 3.75Å; R219-F433 HydrophobicContact CG-CZ 3.98Å; R219-F433 PolarHBondContact NE-O 2.88Å; A222-F433 HydrophobicContact CB-CE1 4.4Å; K406-F433 HydrophobicContact CB-CB 4.25Å; K406-F433 HydrophobicContact CB-CD2 4.25Å; F407-F433 HydrophobicContact CB-CD2 3.9Å; F407-F433 HydrophobicContact CB-CE2 3.65Å; F407-F433 HydrophobicContact CB-CZ 4.26Å; F407-F433 HydrophobicContact CD2-CD1 4.36Å; F407-F433 HydrophobicContact CD2-CD2 4.31Å; F407-F433 AromaticContact CD2-CE1 3.81Å; F407-F433 HydrophobicContact CD2-CE1 3.81Å; F407-F433 AromaticContact CD2-CE2 3.81Å; F407-F433 HydrophobicContact CD2-CE2 3.81Å; F407-F433 AromaticContact CD2-CZ 3.52Å; F407-F433 HydrophobicContact CD2-CZ 3.52Å; F407-F433 HydrophobicContact CE2-CE1 4.3Å; F407-F433 HydrophobicContact CE2-CZ 4.18Å; F407-F433 HydrophobicContact CG-CE2 4.01Å; F407-F433 HydrophobicContact CG-CZ 4.12Å; L410-F433 HydrophobicContact CD2-CB 4.1Å; L410-F433 HydrophobicContact CD2-CD1 3.56Å; L410-F433 HydrophobicContact CD2-CE1 4.35Å; L410-F433 HydrophobicContact CD2-CG 4.14Å; H431-F433 WeakPolarHBondContact ND1-CB 3.32Å; H431-F433 PolarHBondContact ND1-N 2.86Å; H431-F433 VanDerWaalsContact ND1-N 3.17Å; H431-F433 PolarHBondContact O-N 2.84Å
434	F	94.8	Very high	74.7	Confident	29 Å²	29	81.5 Å²	81.5	13%	0.127	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-96.2	-6.7	178.8	-60.9	-59.6	0	0	0	114.5	R219 A222 Q223 L410 A428 H431 H432 K436	R219-F434 HydrophobicContact CG-CD1 3.83Å; R219-F434 HydrophobicContact CG-CE1 4.09Å; R219-F434 WeakPolarHBondContact O-CE1 3.42Å; A222-F434 HydrophobicContact CB-CE1 3.8Å; A222-F434 HydrophobicContact CB-CZ 3.71Å; Q223-F434 HydrophobicContact CB-CD1 3.92Å; Q223-F434 HydrophobicContact CB-CE1 3.64Å; Q223-F434 HydrophobicContact CB-CZ 4.33Å; Q223-F434 HydrophobicContact CG-CD1 4.3Å; Q223-F434 HydrophobicContact CG-CE1 4.41Å; L410-F434 HydrophobicContact CD2-CE2 4.16Å; L410-F434 HydrophobicContact CD2-CZ 4.18Å; A428-F434 WeakPolarHBondContact O-CD2 3.5Å; A428-F434 WeakPolarHBondContact O-CE2 3.48Å; H431-F434 HydrophobicContact CB-CD2 4.44Å; H431-F434 PolarHBondContact O-N 2.85Å; H432-F434 PolarHBondContact O-N 3.37Å; F434-K436 PolarHBondContact O-N 3.02Å
435	K	82.5	Confident	72	Confident	132 Å²	132	81 Å²	81	57%	0.574	41%	0.414	S	S	*	.	S	Bend	trans	-65.2	131.7	175.5	-73.9	-170.5	175.4	-176.6	0	109.3	H432 T437	H432-K435 PolarHBondContact CE1-NZ 3.19Å; H432-K435 VanDerWaalsContact ND1-CE 3.34Å; H432-K435 WeakPolarHBondContact ND1-CE 3.41Å; H432-K435 PolarHBondContact O-N 3.39Å; K435-T437 PolarHBondContact O-N 3.47Å
436	K	60.5	Low	69.3	Low	166 Å²	166	84.7 Å²	84.7	72%	0.722	44%	0.438	S	S	*	.			trans	-51	112.9	-178	-73.5	-169.4	171.9	-160.7	0	110.8	F434 E440	F434-K436 PolarHBondContact O-N 3.02Å; K436-E440 WeakPolarHBondContact CE-OE1 3.43Å; K436-E440 IonicContact NZ-OE1 3.58Å; K436-E440 IonicContact NZ-OE2 3.79Å
437	T	53.3	Low	67	Low	42 Å²	42	84.2 Å²	84.2	26%	0.258	44%	0.444	S	S	.	.			trans	-75	145.7	157.1	49.3	0	0	0	0	107.5	K435 D439	K435-T437 PolarHBondContact O-N 3.47Å; T437-D439 PolarHBondContact O-N 2.95Å
438	V	47.2	Very low	64.9	Low	147 Å²	147	81 Å²	81	89%	0.891	44%	0.435	S	S	*	.	S	Bend	trans	-63.1	-8	-169.6	-165.8	0	0	0	0	113.4
439	D	44.7	Very low	62.8	Low	118 Å²	118	82.8 Å²	82.8	63%	0.631	45%	0.445	S	S	*	.			trans	-110.6	69.6	-175.5	-57.1	-38.2	0	0	0	113.7	T437 G441	T437-D439 PolarHBondContact O-N 2.95Å; D439-G441 PolarHBondContact O-N 3.32Å
440	E	41	Very low	60.7	Low	142 Å²	142	84 Å²	84	66%	0.664	45%	0.449	S	S	*	.			trans	-71.8	35.7	167.5	-75.6	-171.6	163.4	0	0	112.9	K436 T442	K436-E440 WeakPolarHBondContact CE-OE1 3.43Å; K436-E440 IonicContact NZ-OE1 3.58Å; K436-E440 IonicContact NZ-OE2 3.79Å; E440-T442 PolarHBondContact O-N 3.3Å
441	G	39.1	Very low	58.7	Low	45 Å²	45	81.6 Å²	81.6	46%	0.464	45%	0.447	S	S	.	.			trans	-85.4	97.5	167.6	0	0	0	0	0	110.5	D439 N443	D439-G441 PolarHBondContact O-N 3.32Å; G441-N443 PolarHBondContact O-N 3.41Å
442	T	44.8	Very low	56.5	Low	88 Å²	88	81.2 Å²	81.2	54%	0.54	45%	0.446	S	S	.	.			trans	-72.7	83.5	-179.6	50.1	0	0	0	0	111.9	E440 T444	E440-T442 PolarHBondContact O-N 3.3Å; T442-T444 VanDerWaalsContact C-N 3.33Å; T442-T444 PolarHBondContact O-N 2.98Å
443	N	37.4	Very low	54.4	Low	141 Å²	141	77.8 Å²	77.8	75%	0.754	43%	0.432	S	S	*	.			trans	-90.8	70.1	171	-65.3	-20.7	0	0	0	110	G441	G441-N443 PolarHBondContact O-N 3.41Å
444	T	48.8	Very low	52.3	Low	41 Å²	41	85.3 Å²	85.3	25%	0.252	46%	0.46	S	S	.	.	S	Bend	trans	-87	112.7	142.4	-41.1	0	0	0	0	102.9	T442 P446 I449	T442-T444 VanDerWaalsContact C-N 3.33Å; T442-T444 PolarHBondContact O-N 2.98Å; T444-P446 WeakPolarHBondContact O-CD 3.34Å; T444-I449 HydrophobicContact CG2-CD1 4.4Å
445	S	42.4	Very low	50.3	Low	51 Å²	51	86.2 Å²	86.2	36%	0.357	47%	0.47	S	S	.	.			trans	-49.9	124.9	-178.4	175.9	0	0	0	0	107.9	D447 L448	S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 WeakPolarHBondContact OG-CB 3.46Å; S445-D447 PolarHBondContact OG-N 2.9Å; S445-D447 VanDerWaalsContact OG-N 3.07Å; S445-D447 PolarHBondContact OG-OD2 3.12Å; S445-L448 PolarHBondContact O-N 2.98Å
446	P	41.7	Very low	48.9	Very low	91 Å²	91	83.1 Å²	83.1	59%	0.591	46%	0.458	S	S	*	.	H	α-helix	trans	-45	-29.4	169	-27	34.1	0	0	0	111.4	T444 L448 I449 E450	T444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-L448 PolarHBondContact O-N 3.39Å; P446-I449 CarbonylContact O-C 3.52Å; P446-I449 PolarHBondContact O-N 3.32Å; P446-E450 WeakPolarHBondContact O-CB 3.49Å; P446-E450 PolarHBondContact O-N 3.06Å
447	D	48.1	Very low	48.1	Very low	113 Å²	113	80.5 Å²	80.5	60%	0.604	45%	0.452	S	S	*	.	H	α-helix	trans	-60.9	-36.9	177.8	-51.3	-34.5	0	0	0	113.9	S445 E450 A451	S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 WeakPolarHBondContact OG-CB 3.46Å; S445-D447 PolarHBondContact OG-N 2.9Å; S445-D447 VanDerWaalsContact OG-N 3.07Å; S445-D447 PolarHBondContact OG-OD2 3.12Å; D447-E450 PolarHBondContact O-N 3.3Å; D447-A451 WeakPolarHBondContact O-CB 3.31Å; D447-A451 PolarHBondContact O-N 3.3Å
448	L	54.4	Low	47.5	Very low	72 Å²	72	82 Å²	82	38%	0.377	46%	0.464	S	S	.	.	H	α-helix	trans	-72.1	-41.8	178.9	-169.9	73.7	0	0	0	110.2	T208 S445 P446 E450 A451 I452	T208-L448 HydrophobicContact CG2-CD2 4.33Å; S445-L448 PolarHBondContact O-N 2.98Å; P446-L448 PolarHBondContact O-N 3.39Å; L448-E450 VanDerWaalsContact C-N 3.31Å; L448-A451 PolarHBondContact O-N 2.87Å; L448-I452 VanDerWaalsContact O-CG1 3.22Å; L448-I452 WeakPolarHBondContact O-CG1 3.38Å; L448-I452 PolarHBondContact O-N 2.94Å
449	I	53.7	Low	47	Very low	38 Å²	38	84.6 Å²	84.6	20%	0.195	46%	0.458	C	S	.	.	H	α-helix	trans	-64.6	-38.9	174.8	-72.6	173.7	0	0	0	110.4	K255 T444 P446 I452 V453	K255-I449 HydrophobicContact CB-CG2 3.71Å; K255-I449 HydrophobicContact CD-CG2 4.37Å; K255-I449 HydrophobicContact CG-CG2 3.56Å; T444-I449 HydrophobicContact CG2-CD1 4.4Å; P446-I449 CarbonylContact O-C 3.52Å; P446-I449 PolarHBondContact O-N 3.32Å; I449-I452 WeakPolarHBondContact O-CB 3.36Å; I449-I452 PolarHBondContact O-N 3.44Å; I449-V453 WeakPolarHBondContact O-CG2 3.24Å; I449-V453 PolarHBondContact O-N 3.01Å; I449-V453 VanDerWaalsContact O-N 3.16Å
450	E	52	Low	46.3	Very low	77 Å²	77	86.1 Å²	86.1	36%	0.36	46%	0.463	S	S	.	.	H	α-helix	trans	-71.7	-37.8	178.2	-167.5	169	178.4	0	0	111.9	P446 D447 L448 I452 V453 R454	P446-E450 WeakPolarHBondContact O-CB 3.49Å; P446-E450 PolarHBondContact O-N 3.06Å; D447-E450 PolarHBondContact O-N 3.3Å; L448-E450 VanDerWaalsContact C-N 3.31Å; E450-I452 VanDerWaalsContact C-N 3.29Å; E450-I452 PolarHBondContact O-N 3.31Å; E450-V453 PolarHBondContact O-N 2.95Å; E450-R454 WeakPolarHBondContact O-CG 3.04Å; E450-R454 PolarHBondContact O-N 2.89Å; E450-R454 IonicContact OE1-CZ 3.5Å; E450-R454 IonicContact OE1-NE 3.7Å; E450-R454 IonicContact OE1-NH2 2.7Å; E450-R454 PolarHBondContact OE1-NH2 2.73Å
451	A	54.7	Low	45.5	Very low	54 Å²	54	86.4 Å²	86.4	45%	0.446	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-38	171.4	0	0	0	0	0	111.8	D447 L448 R454 S455	D447-A451 WeakPolarHBondContact O-CB 3.31Å; D447-A451 PolarHBondContact O-N 3.3Å; L448-A451 PolarHBondContact O-N 2.87Å; A451-R454 PolarHBondContact O-N 3.22Å; A451-S455 WeakPolarHBondContact O-CB 3.34Å; A451-S455 PolarHBondContact O-N 3.31Å; A451-S455 PolarHBondContact O-OG 3.09Å
452	I	52.7	Low	45.1	Very low	9 Å²	9	90.8 Å²	90.8	5%	0.046	49%	0.485	C	S	.	.	H	α-helix	trans	-61.1	-49	174.2	-70	170.5	0	0	0	110.8	Y199 L204 N207 L448 I449 E450 S455 Q456	Y199-I452 HydrophobicContact CD2-CG2 3.97Å; Y199-I452 HydrophobicContact CE2-CG2 3.66Å; L204-I452 HydrophobicContact CD1-CD1 3.88Å; N207-I452 HydrophobicContact CB-CD1 3.62Å; N207-I452 HydrophobicContact CB-CG1 3.52Å; N207-I452 WeakPolarHBondContact ND2-CG1 3.33Å; N207-I452 WeakPolarHBondContact ND2-CG2 3.24Å; L448-I452 VanDerWaalsContact O-CG1 3.22Å; L448-I452 WeakPolarHBondContact O-CG1 3.38Å; L448-I452 PolarHBondContact O-N 2.94Å; I449-I452 WeakPolarHBondContact O-CB 3.36Å; I449-I452 PolarHBondContact O-N 3.44Å; E450-I452 VanDerWaalsContact C-N 3.29Å; E450-I452 PolarHBondContact O-N 3.31Å; I452-S455 PolarHBondContact O-N 3.37Å; I452-S455 PolarHBondContact O-OG 3.49Å; I452-Q456 PolarHBondContact O-N 2.99Å
453	V	51.3	Low	44.2	Very low	34 Å²	34	91.1 Å²	91.1	21%	0.206	49%	0.49	C	S	.	.	H	α-helix	trans	-60.7	-47.2	178.3	175.7	0	0	0	0	110.8	P254 I449 E450 S455 Q456 D457	P254-V453 HydrophobicContact CB-CG2 4.37Å; I449-V453 WeakPolarHBondContact O-CG2 3.24Å; I449-V453 PolarHBondContact O-N 3.01Å; I449-V453 VanDerWaalsContact O-N 3.16Å; E450-V453 PolarHBondContact O-N 2.95Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 2.92Å; V453-Q456 PolarHBondContact O-N 3.27Å; V453-Q456 VanDerWaalsContact O-N 3.11Å; V453-D457 PolarHBondContact O-N 3.21Å; V453-D457 VanDerWaalsContact O-N 3.1Å
454	R	52.7	Low	43.8	Very low	161 Å²	161	89.8 Å²	89.8	61%	0.608	49%	0.493	S	S	*	.	H	α-helix	trans	-63.7	-33.9	179.4	-71	-179.5	-172	170.1	4.5	113.4	E450 A451 Q456 S458	E450-R454 WeakPolarHBondContact O-CG 3.04Å; E450-R454 PolarHBondContact O-N 2.89Å; E450-R454 IonicContact OE1-CZ 3.5Å; E450-R454 IonicContact OE1-NE 3.7Å; E450-R454 IonicContact OE1-NH2 2.7Å; E450-R454 PolarHBondContact OE1-NH2 2.73Å; A451-R454 PolarHBondContact O-N 3.22Å; R454-Q456 PolarHBondContact O-N 3.18Å; R454-S458 PolarHBondContact O-N 3.36Å; R454-S458 PolarHBondContact O-OG 3.46Å
455	S	54.4	Low	43.1	Very low	49 Å²	49	95 Å²	95	34%	0.343	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-13.5	177.6	75.3	0	0	0	0	114	A451 I452 V453 S458	A451-S455 WeakPolarHBondContact O-CB 3.34Å; A451-S455 PolarHBondContact O-N 3.31Å; A451-S455 PolarHBondContact O-OG 3.09Å; I452-S455 PolarHBondContact O-N 3.37Å; I452-S455 PolarHBondContact O-OG 3.49Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 2.92Å; S455-S458 WeakPolarHBondContact CA-OG 3.43Å; S455-S458 PolarHBondContact O-OG 3.47Å
456	Q	51.1	Low	42.4	Very low	67 Å²	67	97.7 Å²	97.7	31%	0.313	54%	0.538	S	S	.	.	H	α-helix	trans	-106.8	-31.5	-179.2	-66.3	-143.3	12.7	0	0	113.5	Y199 I452 V453 R454 S458 R459	Y199-Q456 HydrophobicContact CE1-CG 4.47Å; Y199-Q456 VanDerWaalsContact CZ-NE2 3.3Å; Y199-Q456 PolarHBondContact OH-OE1 3.2Å; I452-Q456 PolarHBondContact O-N 2.99Å; V453-Q456 PolarHBondContact O-N 3.27Å; V453-Q456 VanDerWaalsContact O-N 3.11Å; R454-Q456 PolarHBondContact O-N 3.18Å; Q456-S458 PolarHBondContact O-N 3.09Å; Q456-R459 PolarHBondContact O-N 3.43Å
457	D	45.5	Very low	41.8	Very low	111 Å²	111	99.8 Å²	99.8	59%	0.594	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-29.1	167.5	-82.8	-28.5	0	0	0	111.8	V453 R459 M460	V453-D457 PolarHBondContact O-N 3.21Å; V453-D457 VanDerWaalsContact O-N 3.1Å; D457-R459 PolarHBondContact O-N 3.49Å; D457-M460 PolarHBondContact O-N 2.99Å
458	S	39	Very low	40.8	Very low	72 Å²	72	104 Å²	104	50%	0.503	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-0.8	178.4	40.8	0	0	0	0	115.2	R454 S455 Q456	R454-S458 PolarHBondContact O-N 3.36Å; R454-S458 PolarHBondContact O-OG 3.46Å; S455-S458 WeakPolarHBondContact CA-OG 3.43Å; S455-S458 PolarHBondContact O-OG 3.47Å; Q456-S458 PolarHBondContact O-N 3.09Å
459	R	38.3	Very low	39.7	Very low	203 Å²	203	107.9 Å²	107.9	77%	0.766	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	3.8	164.8	-67.4	-169.9	-157.4	164.1	12.2	113.5	Q456 D457	Q456-R459 PolarHBondContact O-N 3.43Å; D457-R459 PolarHBondContact O-N 3.49Å
460	M	29	Very low	38.6	Very low	149 Å²	149	109.4 Å²	109.4	73%	0.734	62%	0.617	S	S	*	*			trans	-113.1	78	166.2	-73.4	-166.6	177.4	0	0	109.6	D457	D457-M460 PolarHBondContact O-N 2.99Å
461	I	25.4	Very low	37.5	Very low	149 Å²	149	114.8 Å²	114.8	76%	0.764	64%	0.642	S	S	*	*			trans	-111.3	97.4	158.6	-58.3	178.5	0	0	0	106.2
462	V	28.7	Very low	36.5	Very low	137 Å²	137	119.1 Å²	119.1	83%	0.83	66%	0.663	S	S	*	*			trans	-108.9	115.8	156	179.6	0	0	0	0	105.6	S464	V462-S464 PolarHBondContact O-N 3.39Å
463	S	26.1	Very low	35.5	Very low	94 Å²	94	123 Å²	123	66%	0.657	70%	0.696	S	S	*	*			trans	-55.8	120	174.3	-163.6	0	0	0	0	109.8
464	S	29.8	Very low	34.4	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	73%	0.728	S	S	*	*			trans	-98.7	98.3	165.8	59.9	0	0	0	0	108.2	V462	V462-S464 PolarHBondContact O-N 3.39Å
465	D	33.4	Very low	33.5	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	74%	0.738	S	S	*	*			trans	-79.3	139.1	157.8	-86.2	-38.2	0	0	0	109.7
466	S	29	Very low	32.3	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	76%	0.761	S	S	*	*			trans	-59.5	140.7	-172	52.1	0	0	0	0	115.8
467	C	27.9	Very low	31.4	Very low	135 Å²	135	143.8 Å²	143.8	91%	0.912	79%	0.791	S	S	*	*			trans	-154.1	122.1	138.7	-120.8	0	0	0	0	111
468	K	27.2	Very low	30.9	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	80%	0.8	S	S	*	*			trans	-72.5	157.2	175.4	-67	177.2	174.4	179.1	0	111.4
469	V	32.2	Very low	30.7	Very low	154 Å²	154	147.1 Å²	147.1	93%	0.933	81%	0.809	S	S	*	*			trans	146.3	131.5	148.8	176.4	0	0	0	0	105.2
470	G	31	Very low	30.4	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	81%	0.813	S	S	*	*			cis	179.5	153.4	9.1	0	0	0	0	0	106.9
471	E	27.6	Very low	30.6	Very low	190 Å²	190	145 Å²	145	89%	0.888	82%	0.815	S	S	*	*			trans	-71.9	135	-170.7	-143.6	170.4	-172.6	0	0	113.1
472	V	33.4	Very low	30.9	Very low	145 Å²	145	142.7 Å²	142.7	88%	0.879	81%	0.811	S	S	*	*			trans	-151.1	111.5	147.7	-174.2	0	0	0	0	111.8
473	A	33.5	Very low	30.9	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	81%	0.809	S	S	*	*			trans	29.8	129.1	144.5	0	0	0	0	0	123.6
474	R	26.8	Very low	31.1	Very low	230 Å²	230	142.1 Å²	142.1	87%	0.868	82%	0.82	S	S	*	*			trans	-82	167	151.7	-69.3	-177.7	-179.6	-176.3	0.2	111
475	P	35.1	Very low	31.1	Very low	128 Å²	128	146.1 Å²	146.1	83%	0.831	82%	0.823	S	S	*	*			trans	-127.5	144.4	131.6	21.7	-3.5	0	0	0	113.6
476	E	28.6	Very low	31.1	Very low	176 Å²	176	148 Å²	148	82%	0.822	83%	0.827	S	S	*	*			trans	-75.3	150.3	168.7	-66.3	172.8	144.9	0	0	111.5
477	F	32.5	Very low	31	Very low	213 Å²	213	150.1 Å²	150.1	93%	0.934	83%	0.83	S	S	*	*			trans	-153.1	147.8	143	-134	-94.9	0	0	0	112.3
478	N	33.5	Very low	31.2	Very low	147 Å²	147	154.9 Å²	154.9	79%	0.786	83%	0.829	S	S	*	*			trans	-71.3	165.8	-157	-102.2	-25.1	0	0	0	118.8
479	P	35.8	Very low	31.4	Very low	107 Å²	107	153.6 Å²	153.6	70%	0.695	83%	0.826	S	S	*	*			trans	-98	157.8	176	38.5	-30.2	0	0	0	113.1
480	E	32.6	Very low	31.1	Very low	182 Å²	182	154.5 Å²	154.5	85%	0.85	82%	0.817	S	S	*	*			trans	-167.1	135	158.2	-105.6	-172.3	179.3	0	0	112.8
481	V	33.7	Very low	31	Very low	126 Å²	126	160.3 Å²	160.3	76%	0.764	82%	0.824	S	S	*	*			trans	72.2	137	138.1	-176.5	0	0	0	0	118
482	S	31.2	Very low	30.9	Very low	99 Å²	99	154 Å²	154	69%	0.692	81%	0.81	S	S	*	*			cis	-166.6	149.6	5.2	44.3	0	0	0	0	111.9
483	S	27.5	Very low	30.8	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	81%	0.81	S	S	*	*			trans	1.1	140	151.3	61.7	0	0	0	0	123.6
484	A	32.1	Very low	30.5	Very low	107 Å²	107	156.6 Å²	156.6	88%	0.884	81%	0.809	S	S	*	*			trans	-150.1	133	130.5	0	0	0	0	0	111.1
485	K	29	Very low	30.5	Very low	197 Å²	197	150.3 Å²	150.3	86%	0.857	81%	0.806	S	S	*	*			trans	-84.9	156.5	-177.8	-67.5	168.7	172.3	173.7	0	111.2
486	E	32.3	Very low	30.1	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	81%	0.811	S	S	*	*				172.9	131.1	109.9	-93.6	-177	168.3	0	0	116.4
487	N	27.1	Very low	30.1	Very low	154 Å²	154	147 Å²	147	82%	0.824	80%	0.804	S	S	*	*			trans	-29.7	154.2	165.4	-70.9	-29.8	0	0	0	122.8
488	R	32.3	Very low	30.1	Very low	234 Å²	234	144.3 Å²	144.3	88%	0.883	80%	0.8	S	S	*	*				-171.6	112.7	120.8	-97.7	171.9	-167	-158.4	3.5	109.6
489	Q	31.3	Very low	29.7	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	80%	0.801	S	S	*	*				60.1	140.3	92.2	-82.2	-170.8	-20.6	0	0	114.8
490	F	26.2	Very low	29.5	Very low	173 Å²	173	144.7 Å²	144.7	76%	0.759	80%	0.804	S	S	*	*			cis	-179.1	150.8	-11	-144	-97.7	0	0	0	105.8
491	F	29.3	Very low	29.3	Very low	192 Å²	192	141 Å²	141	84%	0.842	80%	0.799	S	S	*	*			trans	169.1	123.8	131.8	-101.3	-75.8	0	0	0	113.1
492	G	26.2	Very low	28.9	Very low	58 Å²	58	140.1 Å²	140.1	60%	0.598	80%	0.798	S	S	*	*			trans	-85.3	176.4	174.2	0	0	0	0	0	113.7
493	F	29.8	Very low	28.8	Very low	201 Å²	201	140.6 Å²	140.6	88%	0.882	80%	0.801	S	S	*	*				-178.8	164.9	95.5	-97.7	-95.3	0	0	0	106.6
494	A	28.6	Very low	28.8	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	80%	0.796	S	S	*	*			cis	-173.5	160.9	-32	0	0	0	0	0	105.9
495	A	25.4	Very low	28.7	Very low	97 Å²	97	140.7 Å²	140.7	80%	0.802	79%	0.79	S	S	*	*			trans	-80.6	170	-171.2	0	0	0	0	0	116
496	C	27.3	Very low	28.7	Very low	138 Å²	138	136.9 Å²	136.9	93%	0.932	78%	0.779	S	S	*	*			trans	-159.2	138.9	141	-112.2	0	0	0	0	112.1
497	S	28.4	Very low	28.4	Very low	98 Å²	98	138 Å²	138	69%	0.685	78%	0.776	S	S	*	*			trans	-112	154.9	-178	44.3	0	0	0	0	111.1
498	N	32	Very low	28.5	Very low	156 Å²	156	136 Å²	136	83%	0.834	77%	0.77	S	S	*	*				164.8	149.5	128.6	-82	-14.5	0	0	0	115.1
499	N	26.9	Very low	28.1	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	77%	0.765	S	S	*	*			trans	-55.9	155.9	-177.9	-69.6	-35.4	0	0	0	117.2
500	S	31.1	Very low	28	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	77%	0.765	S	S	*	*				169	128.3	111.1	45.8	0	0	0	0	115.1
501	S	27.8	Very low	27.9	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	77%	0.772	S	S	*	*			trans	44.9	120.6	139	62.6	0	0	0	0	124.6
502	S	26.1	Very low	27.7	Very low	108 Å²	108	122.6 Å²	122.6	76%	0.755	76%	0.762	S	S	*	*				77	136.4	120.8	70	0	0	0	0	123.8
503	S	27.8	Very low	27.9	Very low	109 Å²	109	127 Å²	127	76%	0.762	78%	0.777	S	S	*	*			trans	85.8	104.4	144.5	70.1	0	0	0	0	120.5
504	A	27.7	Very low	27.6	Very low	83 Å²	83	126.2 Å²	126.2	69%	0.686	78%	0.776	S	S	*	*				86.4	129.8	112.9	0	0	0	0	0	120.4
505	N	29.7	Very low	27.6	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	78%	0.778	S	S	*	*			trans	107.3	117.6	131.4	-80.9	-2.3	0	0	0	120.6
506	N	30	Very low	27.6	Very low	117 Å²	117	128.7 Å²	128.7	63%	0.626	78%	0.777	S	S	*	*			trans	104.4	104.2	131	-62.7	-8.3	0	0	0	117.4
507	Y	26.3	Very low	27.8	Very low	211 Å²	211	127.7 Å²	127.7	83%	0.827	77%	0.772	S	S	*	*				81.3	132	94.3	-90.1	-78.3	0	0	0	110.8
508	V	27.7	Very low	27.6	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.685	78%	0.781	S	S	*	*			cis	-168.1	148.2	46.3	176.7	0	0	0	0	109.8	V510	V508-V510 HydrophobicContact CG1-CG2 3.94Å
509	P	25.4	Very low	27.6	Very low	120 Å²	120	135 Å²	135	78%	0.779	79%	0.785	S	S	*	*			trans	-104.6	147.8	157	35.9	-25.2	0	0	0	112
510	V	29.2	Very low	27.5	Very low	137 Å²	137	135 Å²	135	83%	0.83	79%	0.785	S	S	*	*			trans	-127.9	122	174.3	-179.9	0	0	0	0	111.4	V508	V508-V510 HydrophobicContact CG1-CG2 3.94Å
511	I	22.7	Very low	27.4	Very low	173 Å²	173	135.6 Å²	135.6	89%	0.887	79%	0.787	S	S	*	*			trans	-100.4	145.1	165.8	-67.5	170.1	0	0	0	107.7
512	G	26.7	Very low	27.5	Very low	62 Å²	62	136.8 Å²	136.8	64%	0.639	79%	0.786	S	S	*	*			trans	151.5	141.1	161.4	0	0	0	0	0	111.2
513	T	29.5	Very low	27.8	Very low	149 Å²	149	142.4 Å²	142.4	91%	0.914	79%	0.79	S	S	*	*			cis	-170.5	158.9	5.1	25.4	0	0	0	0	107.2
514	Q	23.6	Very low	28	Very low	185 Å²	185	141 Å²	141	86%	0.864	79%	0.793	S	S	*	*			trans	-60.3	154.7	178.8	-61.8	166.5	-10.6	0	0	114.6
515	S	28.5	Very low	28.1	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	80%	0.802	S	S	*	*				178.3	114.7	124.4	39.7	0	0	0	0	113.9
516	T	25.8	Very low	28.1	Very low	128 Å²	128	145.1 Å²	145.1	79%	0.785	80%	0.802	S	S	*	*			trans	11.7	129.7	139.4	58.3	0	0	0	0	120.3
517	S	29.9	Very low	28.3	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	81%	0.806	S	S	*	*				166.1	139.3	95.8	51.3	0	0	0	0	114
518	R	25.5	Very low	28.9	Very low	234 Å²	234	142.5 Å²	142.5	88%	0.883	80%	0.801	S	S	*	*			trans	-7.7	139.2	159.7	-69.3	168.6	176	165.8	-1.6	118.6
519	L	30.8	Very low	29.4	Very low	173 Å²	173	146 Å²	146	91%	0.906	81%	0.807	S	S	*	*				-169.4	131.8	112	-96.4	160.7	0	0	0	111.9
520	D	25.5	Very low	30.2	Very low	153 Å²	153	143 Å²	143	82%	0.818	79%	0.788	S	S	*	*			trans	-64	149.1	173.4	-72.9	-64.1	0	0	0	114.6
521	C	30.1	Very low	30.9	Very low	121 Å²	121	144.4 Å²	144.4	82%	0.818	78%	0.78	S	S	*	*			trans	175.9	96.9	133.1	-123.3	0	0	0	0	107.4
522	D	28.7	Very low	32	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	77%	0.77	S	S	*	*				69.6	135.4	79.3	-157.2	25.1	0	0	0	114.6
523	R	31.8	Very low	33.1	Very low	226 Å²	226	148.2 Å²	148.2	85%	0.853	77%	0.766	S	S	*	*			trans	87.7	98.2	167.1	-52.9	-177.9	-166.9	-178.2	4.8	119.5
524	G	33.2	Very low	34.3	Very low	80 Å²	80	148.1 Å²	148.1	83%	0.825	75%	0.753	S	S	*	*			trans	-173.5	42.9	160.9	0	0	0	0	0	113.2
525	K	29.7	Very low	35.9	Very low	201 Å²	201	147.3 Å²	147.3	87%	0.874	74%	0.743	S	S	*	*			trans	-63	151.2	174.1	-75.7	178	177.9	172.9	0	111
526	S	30.3	Very low	37.5	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	73%	0.727	S	S	*	*			trans	87.8	138	142.2	73.6	0	0	0	0	118.7
527	L	34.3	Very low	39.5	Very low	132 Å²	132	144.7 Å²	144.7	69%	0.691	71%	0.712	S	S	*	*	S	Bend	trans	100	36.3	163.1	-50.8	173.8	0	0	0	119.6
528	L	38.3	Very low	41.3	Very low	140 Å²	140	141.4 Å²	141.4	73%	0.733	69%	0.692	S	S	*	*	S	Bend	trans	-128.3	-11.3	161.3	-93.4	159	0	0	0	115.5
529	F	38.6	Very low	43.4	Very low	186 Å²	186	134 Å²	134	82%	0.816	67%	0.669	S	S	*	*	H	α-helix	trans	-72.8	-27.2	174.6	-104	-94	0	0	0	116.1
530	P	42.7	Very low	45.4	Very low	58 Å²	58	128.6 Å²	128.6	38%	0.377	64%	0.641	S	S	.	*	H	α-helix	trans	-71.4	-36.4	174.2	-13.5	27.4	0	0	0	111.9	Y532 Y533 F534	P530-Y532 PolarHBondContact O-N 2.86Å; P530-Y533 PolarHBondContact O-N 3.06Å; P530-F534 HydrophobicContact CB-CD2 4.27Å; P530-F534 HydrophobicContact CB-CE2 4.49Å; P530-F534 VanDerWaalsContact O-CD2 3.28Å; P530-F534 WeakPolarHBondContact O-CD2 3.26Å; P530-F534 PolarHBondContact O-N 3.45Å
531	Y	42.6	Very low	47.7	Very low	166 Å²	166	125.3 Å²	125.3	65%	0.651	62%	0.622	S	S	*	*	H	α-helix	trans	-65.5	-38.1	-172.8	-85.3	-81.4	0	0	0	112.8	F534 Y535	Y531-F534 PolarHBondContact O-N 3.35Å; Y531-Y535 WeakPolarHBondContact O-CB 3.44Å; Y531-Y535 PolarHBondContact O-N 3.3Å
532	Y	45.8	Very low	49.7	Very low	176 Å²	176	123.6 Å²	123.6	69%	0.69	61%	0.608	S	S	*	*	H	α-helix	trans	-66.8	-38	176.1	-123.9	-89.5	0	0	0	112.3	P530 H536	P530-Y532 PolarHBondContact O-N 2.86Å; Y532-H536 PolarHBondContact O-N 3Å; Y532-H536 VanDerWaalsContact O-N 3.1Å
533	Y	49.1	Very low	51.7	Low	139 Å²	139	123.7 Å²	123.7	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-69.7	-42.9	176.7	-118.4	-88.3	0	0	0	111.8	P530 H536 L537	P530-Y533 PolarHBondContact O-N 3.06Å; Y533-H536 PolarHBondContact O-N 3.31Å; Y533-L537 VanDerWaalsContact O-CB 3.23Å; Y533-L537 WeakPolarHBondContact O-CB 3.39Å; Y533-L537 PolarHBondContact O-N 2.82Å
534	F	55.1	Low	53.9	Low	147 Å²	147	118 Å²	118	65%	0.645	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-37.7	175.5	-88.6	-78.5	0	0	0	112.2	P530 Y531 A538	P530-F534 HydrophobicContact CB-CD2 4.27Å; P530-F534 HydrophobicContact CB-CE2 4.49Å; P530-F534 VanDerWaalsContact O-CD2 3.28Å; P530-F534 WeakPolarHBondContact O-CD2 3.26Å; P530-F534 PolarHBondContact O-N 3.45Å; Y531-F534 PolarHBondContact O-N 3.35Å; F534-A538 WeakPolarHBondContact O-CB 3.24Å; F534-A538 PolarHBondContact O-N 3.28Å
535	Y	57.8	Low	55.9	Low	169 Å²	169	119.1 Å²	119.1	66%	0.663	57%	0.571	S	S	*	*	H	α-helix	trans	-67.4	-43.9	177.7	-133.2	-90.5	0	0	0	112	Y531 A538 I539	Y531-Y535 WeakPolarHBondContact O-CB 3.44Å; Y531-Y535 PolarHBondContact O-N 3.3Å; Y535-A538 PolarHBondContact O-N 2.97Å; Y535-I539 HydrophobicContact CD1-CD1 4.07Å; Y535-I539 WeakPolarHBondContact O-CG1 3.3Å; Y535-I539 PolarHBondContact O-N 2.86Å
536	H	62.7	Low	57.8	Low	94 Å²	94	113 Å²	113	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-67.4	-40.5	175.5	-95.2	-72.5	0	0	0	112.4	Y532 Y533 A538 I539 I540	Y532-H536 PolarHBondContact O-N 3Å; Y532-H536 VanDerWaalsContact O-N 3.1Å; Y533-H536 PolarHBondContact O-N 3.31Å; H536-A538 VanDerWaalsContact C-N 3.32Å; H536-A538 PolarHBondContact O-N 3.24Å; H536-I539 PolarHBondContact O-N 2.95Å; H536-I540 VanDerWaalsContact O-CG1 3.25Å; H536-I540 WeakPolarHBondContact O-CG1 3.34Å; H536-I540 PolarHBondContact O-N 3.28Å
537	L	68.3	Low	59.6	Low	88 Å²	88	110.4 Å²	110.4	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-40	175.2	-161.8	76	0	0	0	111	Y533 I540 I541	Y533-L537 VanDerWaalsContact O-CB 3.23Å; Y533-L537 WeakPolarHBondContact O-CB 3.39Å; Y533-L537 PolarHBondContact O-N 2.82Å; L537-I540 PolarHBondContact O-N 2.83Å; L537-I541 HydrophobicContact CD2-CD1 4.39Å; L537-I541 HydrophobicContact CG-CD1 4.07Å; L537-I541 WeakPolarHBondContact O-CB 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.41Å; L537-I541 PolarHBondContact O-N 3.39Å
538	A	67.2	Low	61.5	Low	49 Å²	49	112 Å²	112	41%	0.405	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-42.8	174.7	0	0	0	0	0	112	F534 Y535 H536 I540 I541 V542	F534-A538 WeakPolarHBondContact O-CB 3.24Å; F534-A538 PolarHBondContact O-N 3.28Å; Y535-A538 PolarHBondContact O-N 2.97Å; H536-A538 VanDerWaalsContact C-N 3.32Å; H536-A538 PolarHBondContact O-N 3.24Å; A538-I540 VanDerWaalsContact C-N 3.34Å; A538-I540 PolarHBondContact O-N 2.84Å; A538-I541 PolarHBondContact O-N 2.69Å; A538-V542 WeakPolarHBondContact O-CB 3.31Å; A538-V542 VanDerWaalsContact O-CG2 3.27Å; A538-V542 WeakPolarHBondContact O-CG2 3.23Å; A538-V542 PolarHBondContact O-N 2.78Å
539	I	69.7	Low	63	Low	78 Å²	78	113.1 Å²	113.1	40%	0.4	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-42.9	175	-69.7	167.3	0	0	0	110.7	Y535 H536 V542 Y543	Y535-I539 HydrophobicContact CD1-CD1 4.07Å; Y535-I539 WeakPolarHBondContact O-CG1 3.3Å; Y535-I539 PolarHBondContact O-N 2.86Å; H536-I539 PolarHBondContact O-N 2.95Å; I539-V542 PolarHBondContact O-N 3.09Å; I539-Y543 HydrophobicContact CG2-CD2 4.17Å; I539-Y543 WeakPolarHBondContact O-CB 3.24Å; I539-Y543 PolarHBondContact O-N 3.15Å
540	I	72.8	Confident	64.4	Low	61 Å²	61	108.7 Å²	108.7	31%	0.313	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-43.6	177.1	-68.7	164.9	0	0	0	110.8	L44 H536 L537 A538 Y543 L544	L44-I540 HydrophobicContact CD2-CD1 4.24Å; H536-I540 VanDerWaalsContact O-CG1 3.25Å; H536-I540 WeakPolarHBondContact O-CG1 3.34Å; H536-I540 PolarHBondContact O-N 3.28Å; L537-I540 PolarHBondContact O-N 2.83Å; A538-I540 VanDerWaalsContact C-N 3.34Å; A538-I540 PolarHBondContact O-N 2.84Å; I540-Y543 PolarHBondContact O-N 2.86Å; I540-L544 HydrophobicContact CG2-CD1 3.89Å; I540-L544 HydrophobicContact CG2-CG 4.35Å; I540-L544 WeakPolarHBondContact O-CB 3.4Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.08Å; I540-L544 PolarHBondContact O-N 2.99Å
541	I	74.1	Confident	65.6	Low	83 Å²	83	110.4 Å²	110.4	43%	0.426	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-45.7	177.3	-71.2	165.1	0	0	0	110.5	L537 A538 Y543 L544 I545	L537-I541 HydrophobicContact CD2-CD1 4.39Å; L537-I541 HydrophobicContact CG-CD1 4.07Å; L537-I541 WeakPolarHBondContact O-CB 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.41Å; L537-I541 PolarHBondContact O-N 3.39Å; A538-I541 PolarHBondContact O-N 2.69Å; I541-Y543 VanDerWaalsContact C-N 3.31Å; I541-Y543 PolarHBondContact O-N 3.42Å; I541-L544 PolarHBondContact O-N 3.47Å; I541-I545 HydrophobicContact CG2-CD1 3.63Å; I541-I545 HydrophobicContact CG2-CG1 4.29Å; I541-I545 WeakPolarHBondContact O-CB 3.41Å; I541-I545 VanDerWaalsContact O-CG1 3.23Å; I541-I545 WeakPolarHBondContact O-CG1 3.24Å; I541-I545 PolarHBondContact O-N 3.24Å
542	V	71.5	Confident	66.8	Low	85 Å²	85	107.9 Å²	107.9	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-41.4	176.5	172.2	0	0	0	0	110.6	A538 I539 I545 C546	A538-V542 WeakPolarHBondContact O-CB 3.31Å; A538-V542 VanDerWaalsContact O-CG2 3.27Å; A538-V542 WeakPolarHBondContact O-CG2 3.23Å; A538-V542 PolarHBondContact O-N 2.78Å; I539-V542 PolarHBondContact O-N 3.09Å; V542-I545 PolarHBondContact O-N 3.48Å; V542-C546 WeakPolarHBondContact O-CB 3.28Å; V542-C546 PolarHBondContact O-N 3.39Å; V542-C546 PolarHBondContact O-SG 2.86Å; V542-C546 VanDerWaalsContact O-SG 3.37Å
543	Y	71	Confident	67.7	Low	133 Å²	133	102.4 Å²	102.4	52%	0.522	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-43.2	175.1	-108.8	-90.1	0	0	0	112.6	W59 I539 I540 I541 C546 A547	W59-Y543 AromaticContact NE1-CE1 3.89Å; I539-Y543 HydrophobicContact CG2-CD2 4.17Å; I539-Y543 WeakPolarHBondContact O-CB 3.24Å; I539-Y543 PolarHBondContact O-N 3.15Å; I540-Y543 PolarHBondContact O-N 2.86Å; I541-Y543 VanDerWaalsContact C-N 3.31Å; I541-Y543 PolarHBondContact O-N 3.42Å; Y543-C546 PolarHBondContact O-N 3.31Å; Y543-A547 VanDerWaalsContact O-CB 3.29Å; Y543-A547 WeakPolarHBondContact O-CB 2.76Å; Y543-A547 PolarHBondContact O-N 3.24Å
544	L	76.5	Confident	68.3	Low	107 Å²	107	99.3 Å²	99.3	56%	0.56	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-42.2	177	-75.5	170.8	0	0	0	111.3	I540 I541 A547 F548	I540-L544 HydrophobicContact CG2-CD1 3.89Å; I540-L544 HydrophobicContact CG2-CG 4.35Å; I540-L544 WeakPolarHBondContact O-CB 3.4Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.08Å; I540-L544 PolarHBondContact O-N 2.99Å; I541-L544 PolarHBondContact O-N 3.47Å; L544-A547 PolarHBondContact O-N 2.91Å; L544-F548 WeakPolarHBondContact O-CB 3.27Å; L544-F548 PolarHBondContact O-N 2.9Å
545	I	75.5	Confident	68.7	Low	103 Å²	103	98 Å²	98	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-46.2	175.1	-68.6	167.6	0	0	0	110.2	I541 V542 A547 F548 Y549	I541-I545 HydrophobicContact CG2-CD1 3.63Å; I541-I545 HydrophobicContact CG2-CG1 4.29Å; I541-I545 WeakPolarHBondContact O-CB 3.41Å; I541-I545 VanDerWaalsContact O-CG1 3.23Å; I541-I545 WeakPolarHBondContact O-CG1 3.24Å; I541-I545 PolarHBondContact O-N 3.24Å; V542-I545 PolarHBondContact O-N 3.48Å; I545-A547 PolarHBondContact O-N 3.01Å; I545-F548 PolarHBondContact O-N 3.03Å; I545-Y549 VanDerWaalsContact O-CB 3.3Å; I545-Y549 WeakPolarHBondContact O-CB 3.28Å; I545-Y549 PolarHBondContact O-N 3.07Å
546	C	69.5	Low	68.7	Low	71 Å²	71	93.5 Å²	93.5	48%	0.48	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.7	-75.4	0	0	0	0	111.9	V542 Y543 Y549 V550	V542-C546 WeakPolarHBondContact O-CB 3.28Å; V542-C546 PolarHBondContact O-N 3.39Å; V542-C546 PolarHBondContact O-SG 2.86Å; V542-C546 VanDerWaalsContact O-SG 3.37Å; Y543-C546 PolarHBondContact O-N 3.31Å; C546-Y549 PolarHBondContact O-N 3.32Å; C546-V550 VanDerWaalsContact O-CG2 3.29Å; C546-V550 WeakPolarHBondContact O-CG2 3.25Å; C546-V550 PolarHBondContact O-N 2.92Å
547	A	69.7	Low	68.2	Low	53 Å²	53	92.1 Å²	92.1	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-44.3	176	0	0	0	0	0	111.3	Y543 L544 I545 Y549 V550 T551	Y543-A547 VanDerWaalsContact O-CB 3.29Å; Y543-A547 WeakPolarHBondContact O-CB 2.76Å; Y543-A547 PolarHBondContact O-N 3.24Å; L544-A547 PolarHBondContact O-N 2.91Å; I545-A547 PolarHBondContact O-N 3.01Å; A547-Y549 VanDerWaalsContact C-N 3.34Å; A547-Y549 PolarHBondContact O-N 2.96Å; A547-V550 PolarHBondContact O-N 2.84Å; A547-T551 WeakPolarHBondContact O-CB 3.21Å; A547-T551 PolarHBondContact O-N 2.67Å; A547-T551 PolarHBondContact O-OG1 2.92Å
548	F	73	Confident	67.3	Low	165 Å²	165	95.1 Å²	95.1	72%	0.724	50%	0.496	S	S	*	.	H	α-helix	trans	-61.8	-42.9	174.8	-121.6	-89.4	0	0	0	111.3	L544 I545 T551 F552	L544-F548 WeakPolarHBondContact O-CB 3.27Å; L544-F548 PolarHBondContact O-N 2.9Å; I545-F548 PolarHBondContact O-N 3.03Å; F548-T551 PolarHBondContact O-N 3.11Å; F548-F552 WeakPolarHBondContact O-CB 3.41Å; F548-F552 PolarHBondContact O-N 3.47Å
549	Y	70.2	Confident	66.6	Low	164 Å²	164	98 Å²	98	64%	0.643	50%	0.501	S	S	*	.	H	α-helix	trans	-66.5	-42.9	-179.7	-159.3	-92.4	0	0	0	111.8	I545 C546 A547 T551 F552 V553	I545-Y549 VanDerWaalsContact O-CB 3.3Å; I545-Y549 WeakPolarHBondContact O-CB 3.28Å; I545-Y549 PolarHBondContact O-N 3.07Å; C546-Y549 PolarHBondContact O-N 3.32Å; A547-Y549 VanDerWaalsContact C-N 3.34Å; A547-Y549 PolarHBondContact O-N 2.96Å; Y549-T551 VanDerWaalsContact C-N 3.33Å; Y549-T551 PolarHBondContact O-N 3.11Å; Y549-F552 PolarHBondContact O-N 3.45Å; Y549-V553 HydrophobicContact CD1-CG2 3.77Å; Y549-V553 HydrophobicContact CE1-CG2 3.57Å; Y549-V553 WeakPolarHBondContact O-CB 3.39Å; Y549-V553 WeakPolarHBondContact O-CG2 3.38Å; Y549-V553 PolarHBondContact O-N 3.18Å
550	V	67.6	Low	65.6	Low	94 Å²	94	99.4 Å²	99.4	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-41.4	174.9	172.6	0	0	0	0	110.8	C546 A547 C554	C546-V550 VanDerWaalsContact O-CG2 3.29Å; C546-V550 WeakPolarHBondContact O-CG2 3.25Å; C546-V550 PolarHBondContact O-N 2.92Å; A547-V550 PolarHBondContact O-N 2.84Å; V550-C554 VanDerWaalsContact O-CB 3.27Å; V550-C554 WeakPolarHBondContact O-CB 3.28Å; V550-C554 PolarHBondContact O-N 3.09Å; V550-C554 PolarHBondContact O-SG 2.96Å; V550-C554 VanDerWaalsContact O-SG 3.35Å
551	T	67.5	Low	64.4	Low	94 Å²	94	105.2 Å²	105.2	58%	0.577	54%	0.537	S	S	*	.	H	α-helix	trans	-66	-43.2	177.6	-48	0	0	0	0	111	A547 F548 Y549 C554 F555	A547-T551 WeakPolarHBondContact O-CB 3.21Å; A547-T551 PolarHBondContact O-N 2.67Å; A547-T551 PolarHBondContact O-OG1 2.92Å; F548-T551 PolarHBondContact O-N 3.11Å; Y549-T551 VanDerWaalsContact C-N 3.33Å; Y549-T551 PolarHBondContact O-N 3.11Å; T551-C554 PolarHBondContact O-N 3.16Å; T551-F555 WeakPolarHBondContact O-CB 3.37Å; T551-F555 PolarHBondContact O-N 3.29Å
552	F	69.1	Low	63.2	Low	113 Å²	113	106.2 Å²	106.2	50%	0.496	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-42.6	178.5	-172.8	-106	0	0	0	112.1	F548 Y549 C554 F555 L556	F548-F552 WeakPolarHBondContact O-CB 3.41Å; F548-F552 PolarHBondContact O-N 3.47Å; Y549-F552 PolarHBondContact O-N 3.45Å; F552-C554 VanDerWaalsContact C-N 3.32Å; F552-C554 PolarHBondContact O-N 3Å; F552-F555 PolarHBondContact O-N 2.61Å; F552-L556 HydrophobicContact CD1-CD1 3.73Å; F552-L556 HydrophobicContact CD1-CG 4.26Å; F552-L556 HydrophobicContact CE1-CD1 3.25Å; F552-L556 HydrophobicContact CE1-CG 3.96Å; F552-L556 HydrophobicContact CE2-CG 4.45Å; F552-L556 HydrophobicContact CZ-CD1 3.73Å; F552-L556 HydrophobicContact CZ-CD2 4.27Å; F552-L556 HydrophobicContact CZ-CG 4.05Å; F552-L556 WeakPolarHBondContact O-CB 3.41Å; F552-L556 WeakPolarHBondContact O-CG 3.3Å; F552-L556 PolarHBondContact O-N 2.83Å
553	V	64.8	Low	61.4	Low	60 Å²	60	107.2 Å²	107.2	36%	0.364	55%	0.55	S	S	.	.	H	α-helix	trans	-65.5	-37.3	174.6	171.6	0	0	0	0	111	Y549 S557	Y549-V553 HydrophobicContact CD1-CG2 3.77Å; Y549-V553 HydrophobicContact CE1-CG2 3.57Å; Y549-V553 WeakPolarHBondContact O-CB 3.39Å; Y549-V553 WeakPolarHBondContact O-CG2 3.38Å; Y549-V553 PolarHBondContact O-N 3.18Å; V553-S557 VanDerWaalsContact O-CB 3.27Å; V553-S557 WeakPolarHBondContact O-CB 3.42Å; V553-S557 PolarHBondContact O-N 3.04Å; V553-S557 PolarHBondContact O-OG 2.88Å
554	C	60.9	Low	59.7	Low	75 Å²	75	106.7 Å²	106.7	51%	0.507	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-38.7	172.4	-79.1	0	0	0	0	112.2	V550 T551 F552 S557 Y558	V550-C554 VanDerWaalsContact O-CB 3.27Å; V550-C554 WeakPolarHBondContact O-CB 3.28Å; V550-C554 PolarHBondContact O-N 3.09Å; V550-C554 PolarHBondContact O-SG 2.96Å; V550-C554 VanDerWaalsContact O-SG 3.35Å; T551-C554 PolarHBondContact O-N 3.16Å; F552-C554 VanDerWaalsContact C-N 3.32Å; F552-C554 PolarHBondContact O-N 3Å; C554-S557 PolarHBondContact O-N 3.23Å; C554-Y558 WeakPolarHBondContact O-CB 3.43Å; C554-Y558 PolarHBondContact O-N 3.25Å
555	F	64.3	Low	57.7	Low	119 Å²	119	113.4 Å²	113.4	52%	0.522	59%	0.594	S	S	.	*	H	α-helix	trans	-67	-46.7	176.6	-164.6	-90.6	0	0	0	111.5	T551 F552 S557 Y558 E559	T551-F555 WeakPolarHBondContact O-CB 3.37Å; T551-F555 PolarHBondContact O-N 3.29Å; F552-F555 PolarHBondContact O-N 2.61Å; F555-S557 VanDerWaalsContact C-N 3.33Å; F555-S557 PolarHBondContact O-N 3.28Å; F555-Y558 CarbonylContact O-C 3.58Å; F555-Y558 WeakPolarHBondContact O-CA 3.29Å; F555-Y558 WeakPolarHBondContact O-CB 3.46Å; F555-Y558 PolarHBondContact O-N 2.64Å; F555-E559 HydrophobicContact CD1-CG 4.26Å; F555-E559 HydrophobicContact CE1-CG 3.86Å; F555-E559 WeakPolarHBondContact CE1-OE1 3.5Å; F555-E559 HydrophobicContact CZ-CG 4.45Å; F555-E559 PolarHBondContact O-N 3.33Å
556	L	56.6	Low	56.8	Low	75 Å²	75	113.9 Å²	113.9	39%	0.393	60%	0.597	S	S	.	*	H	α-helix	trans	-63.3	-37.5	174.8	-73.2	179.8	0	0	0	112.3	F552 Y558 E559 T560	F552-L556 HydrophobicContact CD1-CD1 3.73Å; F552-L556 HydrophobicContact CD1-CG 4.26Å; F552-L556 HydrophobicContact CE1-CD1 3.25Å; F552-L556 HydrophobicContact CE1-CG 3.96Å; F552-L556 HydrophobicContact CE2-CG 4.45Å; F552-L556 HydrophobicContact CZ-CD1 3.73Å; F552-L556 HydrophobicContact CZ-CD2 4.27Å; F552-L556 HydrophobicContact CZ-CG 4.05Å; F552-L556 WeakPolarHBondContact O-CB 3.41Å; F552-L556 WeakPolarHBondContact O-CG 3.3Å; F552-L556 PolarHBondContact O-N 2.83Å; L556-Y558 PolarHBondContact O-N 2.84Å; L556-E559 PolarHBondContact O-N 3.09Å; L556-T560 WeakPolarHBondContact O-CB 3.37Å; L556-T560 WeakPolarHBondContact O-CG2 3.43Å; L556-T560 PolarHBondContact O-N 2.96Å; L556-T560 PolarHBondContact O-OG1 3.31Å
557	S	52.8	Low	56.2	Low	65 Å²	65	116.2 Å²	116.2	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-68.2	-21.5	173.2	-59.2	0	0	0	0	112.6	V553 C554 F555 T560	V553-S557 VanDerWaalsContact O-CB 3.27Å; V553-S557 WeakPolarHBondContact O-CB 3.42Å; V553-S557 PolarHBondContact O-N 3.04Å; V553-S557 PolarHBondContact O-OG 2.88Å; C554-S557 PolarHBondContact O-N 3.23Å; F555-S557 VanDerWaalsContact C-N 3.33Å; F555-S557 PolarHBondContact O-N 3.28Å; S557-T560 WeakPolarHBondContact CA-OG1 3.3Å
558	Y	48.3	Very low	55.4	Low	150 Å²	150	119.7 Å²	119.7	59%	0.588	61%	0.612	S	S	*	*	H	α-helix	trans	-86.1	-38.6	176.9	-148.1	-92.8	0	0	0	111.7	C554 F555 L556 N562	C554-Y558 WeakPolarHBondContact O-CB 3.43Å; C554-Y558 PolarHBondContact O-N 3.25Å; F555-Y558 CarbonylContact O-C 3.58Å; F555-Y558 WeakPolarHBondContact O-CA 3.29Å; F555-Y558 WeakPolarHBondContact O-CB 3.46Å; F555-Y558 PolarHBondContact O-N 2.64Å; L556-Y558 PolarHBondContact O-N 2.84Å; Y558-N562 WeakPolarHBondContact CE1-ND2 3.25Å; Y558-N562 WeakPolarHBondContact O-CB 3.4Å; Y558-N562 PolarHBondContact O-N 3.23Å; Y558-N562 PolarHBondContact O-ND2 2.97Å
559	E	52.6	Low	54.4	Low	109 Å²	109	117 Å²	117	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-72.2	-40.2	174.6	-76.8	-155.7	159.9	0	0	112.3	F555 L556 F561 N562 V563	F555-E559 HydrophobicContact CD1-CG 4.26Å; F555-E559 HydrophobicContact CE1-CG 3.86Å; F555-E559 WeakPolarHBondContact CE1-OE1 3.5Å; F555-E559 HydrophobicContact CZ-CG 4.45Å; F555-E559 PolarHBondContact O-N 3.33Å; L556-E559 PolarHBondContact O-N 3.09Å; E559-F561 PolarHBondContact O-N 3.27Å; E559-F561 VanDerWaalsContact O-N 3.12Å; E559-N562 PolarHBondContact O-N 2.83Å; E559-V563 WeakPolarHBondContact O-CG2 3.49Å; E559-V563 PolarHBondContact O-N 3.34Å
560	T	49.8	Very low	53.4	Low	108 Å²	108	114.1 Å²	114.1	66%	0.663	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-15.5	177	45.2	0	0	0	0	114.1	L556 S557	L556-T560 WeakPolarHBondContact O-CB 3.37Å; L556-T560 WeakPolarHBondContact O-CG2 3.43Å; L556-T560 PolarHBondContact O-N 2.96Å; L556-T560 PolarHBondContact O-OG1 3.31Å; S557-T560 WeakPolarHBondContact CA-OG1 3.3Å
561	F	47.9	Very low	52.5	Low	183 Å²	183	115.4 Å²	115.4	80%	0.803	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-4.1	173	-94.1	-87.1	0	0	0	114.2	E559	E559-F561 PolarHBondContact O-N 3.27Å; E559-F561 VanDerWaalsContact O-N 3.12Å
562	N	48.1	Very low	51.4	Low	105 Å²	105	116.9 Å²	116.9	56%	0.561	61%	0.608	S	S	*	*	S	Bend	trans	-127.1	26.8	-176.7	-86.6	-47.5	0	0	0	113.7	Y558 E559 P564	Y558-N562 WeakPolarHBondContact CE1-ND2 3.25Å; Y558-N562 WeakPolarHBondContact O-CB 3.4Å; Y558-N562 PolarHBondContact O-N 3.23Å; Y558-N562 PolarHBondContact O-ND2 2.97Å; E559-N562 PolarHBondContact O-N 2.83Å; N562-P564 WeakPolarHBondContact O-CD 3.35Å
563	V	34.9	Very low	50	Low	106 Å²	106	117.2 Å²	117.2	64%	0.642	62%	0.617	S	S	*	*			trans	-90.9	108.1	162.7	-175.4	0	0	0	0	108.5	E559 M565	E559-V563 WeakPolarHBondContact O-CG2 3.49Å; E559-V563 PolarHBondContact O-N 3.34Å; V563-M565 PolarHBondContact O-N 3.18Å
564	P	34	Very low	48.8	Very low	122 Å²	122	122 Å²	122	79%	0.792	64%	0.638	S	S	*	*			trans	-79.1	95.2	164.5	30.7	-30.8	0	0	0	109.5	N562	N562-P564 WeakPolarHBondContact O-CD 3.35Å
565	M	35.5	Very low	47.7	Very low	247 Å²	247	126.3 Å²	126.3	100%	1.217	65%	0.65	S	S	*	*			trans	-167.7	0	148.4	-92.8	-128.5	-92.4	0	0	106.8	V563	V563-M565 PolarHBondContact O-N 3.18Å

Retrieved 565 of 565 residues in 328.7 ms (Link to these results)

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