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Cytochrome P450

A cytochrome P450 monooxygenase involved in the metabolism of arachidonic acid and its conjugates. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (CPR; NADPH-ferrihemoprotein reductase). Acts as an omega and omega-1 hydroxylase for arachidonic acid and possibly for other long chain fatty acids. May modulate the arachidonic acid signaling pathway and play a role in other fatty acid signaling processes. May down-regulate the biological activities of N-arachidonoyl-serotonin, an endocannabinoid that has anti-nociceptive effects through inhibition of fatty acid amide hydrolase FAAH, TRPV1 receptor and T-type calcium channels. Catalyzes C-2 oxidation of the indole ring of N-arachidonoyl-serotonin forming a less active product 2-oxo-N-arachidonoyl-serotonin. Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A096MY25, Species PAPAN (Papio anubis, Olive baboon), Gene CYP2U1, Length 544 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	45.9	Very low	248 Å²	248	132.8 Å²	132.8	100%	1.222	85%	0.847	S	S	*	*				0	103.9	0	-84.4	175.3	161.2	0	0	108.2
2	S	38.8	Very low	46.1	Very low	122 Å²	122	137.8 Å²	137.8	85%	0.853	85%	0.851	S	S	*	*			trans	-163.8	116.1	165.2	34.8	0	0	0	0	107
3	S	37.6	Very low	46.2	Very low	118 Å²	118	137.1 Å²	137.1	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71.4	148.1	-171.9	-54.7	0	0	0	0	112.9
4	P	48.7	Very low	46.3	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.4	142	166.6	32.8	-29.3	0	0	0	110.8
5	G	53	Low	46.7	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.7	173.7	178.4	0	0	0	0	0	114.5
6	P	48.3	Very low	46.7	Very low	126 Å²	126	137.4 Å²	137.4	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.6	162.1	-170.6	32.5	-33.9	0	0	0	113.1
7	P	45.4	Very low	46.6	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-79.6	148.6	-163.4	32.2	-34.4	0	0	0	113.3
8	Q	49.6	Very low	46.5	Very low	187 Å²	187	130.9 Å²	130.9	87%	0.874	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-80.4	144.4	164.5	-77.8	-166.1	-21.1	0	0	111
9	P	46.4	Very low	46.5	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-73.8	151.5	-179.8	30.6	-33.3	0	0	0	111.7
10	P	44	Very low	46.5	Very low	123 Å²	123	133.8 Å²	133.8	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.2	140.7	173.7	27.6	-31.5	0	0	0	110.7
11	A	46.3	Very low	46.4	Very low	101 Å²	101	135 Å²	135	84%	0.835	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.7	134	175.5	0	0	0	0	0	111.2	D13	A11-D13 PolarHBondContact O-N 3.07Å
12	E	48.7	Very low	46.2	Very low	192 Å²	192	134.3 Å²	134.3	90%	0.897	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.6	126.3	175.9	-69.8	-177.3	156.2	0	0	111.1
13	D	47.7	Very low	46.2	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-67.8	133.2	166.6	-99.8	-39.7	0	0	0	109.8	A11 R19	A11-D13 PolarHBondContact O-N 3.07Å; D13-R19 IonicContact OD1-NH2 3.58Å
14	P	46.7	Very low	46.1	Very low	92 Å²	92	131.5 Å²	131.5	60%	0.597	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-70.8	152.1	178.2	28.3	-32.6	0	0	0	111.5
15	P	52.6	Low	46	Very low	105 Å²	105	134.7 Å²	134.7	68%	0.682	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.9	155.6	-172.4	23.2	-31.4	0	0	0	114	P17	P15-P17 WeakPolarHBondContact O-CD 3.32Å; P15-P17 VanDerWaalsContact O-N 3.08Å
16	W	46.7	Very low	45.4	Very low	219 Å²	219	134.3 Å²	134.3	83%	0.83	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	-18	-171.5	165	-95.5	0	0	0	119.9
17	P	45.5	Very low	45	Very low	91 Å²	91	135.9 Å²	135.9	59%	0.591	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-19.5	-179.8	-6.4	23.1	0	0	0	114.5	P15	P15-P17 WeakPolarHBondContact O-CD 3.32Å; P15-P17 VanDerWaalsContact O-N 3.08Å
18	A	44.8	Very low	44.9	Very low	67 Å²	67	137.7 Å²	137.7	55%	0.554	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-82.4	-17.1	-170.9	0	0	0	0	0	114.6
19	R	45.9	Very low	44.6	Very low	186 Å²	186	140.4 Å²	140.4	70%	0.702	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-75.6	-20.7	179.3	-75	-173.1	-179.2	-177.8	3.4	113.7	D13	D13-R19 IonicContact OD1-NH2 3.58Å
20	L	46	Very low	44.4	Very low	133 Å²	133	140.9 Å²	140.9	70%	0.696	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-81.6	-16.5	-177.6	-83.6	158.9	0	0	0	114.2
21	L	44.3	Very low	44.6	Very low	159 Å²	159	140.1 Å²	140.1	83%	0.832	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-94.5	5.3	-175.8	-74.1	165.2	0	0	0	114.4
22	R	42.3	Very low	45.1	Very low	235 Å²	235	140 Å²	140	89%	0.887	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-128	27.8	174.5	-71.4	-170.3	-177.1	-176.3	2.4	113.7
23	A	39.8	Very low	45.8	Very low	66 Å²	66	134 Å²	134	55%	0.545	71%	0.709	S	S	.	*			trans	-79.3	128.5	167.4	0	0	0	0	0	109.3
24	P	36.4	Very low	46.6	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	69%	0.687	S	S	*	*			trans	-64.3	145.3	176.5	26	-30.6	0	0	0	110.1	G26	P24-G26 PolarHBondContact O-N 3.46Å
25	L	45.3	Very low	47.3	Very low	195 Å²	195	128.7 Å²	128.7	100%	1.021	68%	0.68	S	S	*	*	S	Bend	trans	-63.5	64.5	174.8	-88.1	142.5	0	0	0	112
26	G	41.5	Very low	47.9	Very low	59 Å²	59	126.1 Å²	126.1	61%	0.608	67%	0.668	S	S	*	*			trans	-138.2	17.4	-173.9	0	0	0	0	0	114.9	P24	P24-G26 PolarHBondContact O-N 3.46Å
27	L	38.8	Very low	49.1	Very low	159 Å²	159	121.9 Å²	121.9	83%	0.832	66%	0.661	S	S	*	*			trans	-101.3	21.3	-177.6	-99.6	159	0	0	0	114.6
28	L	42.5	Very low	50.4	Low	164 Å²	164	123.2 Å²	123.2	86%	0.859	66%	0.662	S	S	*	*			trans	-131.3	43.3	172.7	-82.1	164	0	0	0	111.8
29	R	43.7	Very low	51.8	Low	244 Å²	244	125.5 Å²	125.5	92%	0.921	67%	0.665	S	S	*	*			trans	-105.7	86	152.9	-85.3	-173.6	174.6	179.4	-0.9	107.5
30	M	43	Very low	53.2	Low	125 Å²	125	120.8 Å²	120.8	62%	0.616	66%	0.659	S	S	*	*			trans	-70.6	135.2	165.3	-65.2	-108.8	71.2	0	0	107.8
31	D	48.9	Very low	54.6	Low	106 Å²	106	116.1 Å²	116.1	57%	0.567	64%	0.644	S	S	*	*			trans	-74	142.5	-178.2	-160.4	31.4	0	0	0	109.9	S33 G34 D35	D31-S33 PolarHBondContact O-N 2.73Å; D31-S33 PolarHBondContact OD2-OG 3.36Å; D31-G34 PolarHBondContact O-N 2.93Å; D31-D35 PolarHBondContact O-N 2.95Å
32	P	56.9	Low	56.1	Low	100 Å²	100	113.5 Å²	113.5	65%	0.649	63%	0.63	S	S	*	*	H	α-helix	trans	-57.4	-23.1	-178.1	-23	33.1	0	0	0	113.8	A36	P32-A36 WeakPolarHBondContact O-CB 3.47Å; P32-A36 PolarHBondContact O-N 3.19Å
33	S	61.6	Low	57.7	Low	65 Å²	65	106.7 Å²	106.7	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-69.4	-36.5	174.9	62.1	0	0	0	0	112.7	D31 L37	D31-S33 PolarHBondContact O-N 2.73Å; D31-S33 PolarHBondContact OD2-OG 3.36Å; S33-L37 WeakPolarHBondContact O-CG 3.23Å; S33-L37 PolarHBondContact O-N 3.27Å; S33-L37 VanDerWaalsContact O-N 3.11Å
34	G	64.5	Low	59.4	Low	22 Å²	22	106.5 Å²	106.5	23%	0.227	61%	0.613	C	S	.	*	H	α-helix	trans	-73.3	-39.7	177.6	0	0	0	0	0	112.4	D31 L37 L38	D31-G34 PolarHBondContact O-N 2.93Å; G34-L37 PolarHBondContact O-N 3.38Å; G34-L38 WeakPolarHBondContact O-CB 3.31Å; G34-L38 WeakPolarHBondContact O-CG 3.38Å; G34-L38 PolarHBondContact O-N 3.24Å
35	D	61.9	Low	61.3	Low	87 Å²	87	103.6 Å²	103.6	47%	0.465	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-41.9	174.9	-71.8	-18	0	0	0	111.2	D31 L38 L39	D31-D35 PolarHBondContact O-N 2.95Å; D35-L38 PolarHBondContact O-N 3.24Å; D35-L39 VanDerWaalsContact O-CB 3.28Å; D35-L39 WeakPolarHBondContact O-CB 3.47Å; D35-L39 PolarHBondContact O-N 3.43Å
36	A	65.6	Low	62.7	Low	52 Å²	52	97.7 Å²	97.7	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-39.6	175.3	0	0	0	0	0	112.5	P32 L39 C40	P32-A36 WeakPolarHBondContact O-CB 3.47Å; P32-A36 PolarHBondContact O-N 3.19Å; A36-L39 PolarHBondContact O-N 2.9Å; A36-C40 VanDerWaalsContact O-CB 3.27Å; A36-C40 WeakPolarHBondContact O-CB 3.41Å; A36-C40 PolarHBondContact O-N 3.15Å; A36-C40 PolarHBondContact O-SG 3.21Å
37	L	71.8	Confident	64	Low	129 Å²	129	96.1 Å²	96.1	68%	0.675	55%	0.546	S	S	*	.	H	α-helix	trans	-68.3	-41.1	176.4	-79.2	166.3	0	0	0	112.5	S33 G34 C40 G41	S33-L37 WeakPolarHBondContact O-CG 3.23Å; S33-L37 PolarHBondContact O-N 3.27Å; S33-L37 VanDerWaalsContact O-N 3.11Å; G34-L37 PolarHBondContact O-N 3.38Å; L37-C40 PolarHBondContact O-N 2.89Å; L37-G41 PolarHBondContact O-N 2.78Å
38	L	73.6	Confident	65.6	Low	119 Å²	119	96.7 Å²	96.7	62%	0.623	54%	0.537	S	S	*	.	H	α-helix	trans	-64.3	-41.7	173.9	-76.9	167.2	0	0	0	111.4	G34 D35 G41 L42	G34-L38 WeakPolarHBondContact O-CB 3.31Å; G34-L38 WeakPolarHBondContact O-CG 3.38Å; G34-L38 PolarHBondContact O-N 3.24Å; D35-L38 PolarHBondContact O-N 3.24Å; L38-G41 PolarHBondContact O-N 3.34Å; L38-L42 WeakPolarHBondContact O-CB 3.2Å; L38-L42 PolarHBondContact O-N 3.03Å
39	L	73.4	Confident	66.8	Low	116 Å²	116	89.8 Å²	89.8	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-44	176.9	-151.9	90.7	0	0	0	111.5	D35 A36 L42 V43	D35-L39 VanDerWaalsContact O-CB 3.28Å; D35-L39 WeakPolarHBondContact O-CB 3.47Å; D35-L39 PolarHBondContact O-N 3.43Å; A36-L39 PolarHBondContact O-N 2.9Å; L39-L42 PolarHBondContact O-N 3.35Å; L39-V43 WeakPolarHBondContact O-CB 3.47Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.74Å
40	C	74.3	Confident	67.9	Low	86 Å²	86	84.6 Å²	84.6	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-41.3	174.6	-77.4	0	0	0	0	111.9	A36 L37 V43 A44	A36-C40 VanDerWaalsContact O-CB 3.27Å; A36-C40 WeakPolarHBondContact O-CB 3.41Å; A36-C40 PolarHBondContact O-N 3.15Å; A36-C40 PolarHBondContact O-SG 3.21Å; L37-C40 PolarHBondContact O-N 2.89Å; C40-V43 PolarHBondContact O-N 3.37Å; C40-A44 VanDerWaalsContact O-CB 3.23Å; C40-A44 WeakPolarHBondContact O-CB 3.26Å; C40-A44 PolarHBondContact O-N 3Å
41	G	77.1	Confident	68.9	Low	36 Å²	36	83.6 Å²	83.6	37%	0.371	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-44.2	173.2	0	0	0	0	0	111.9	L37 L38 A44 V45	L37-G41 PolarHBondContact O-N 2.78Å; L38-G41 PolarHBondContact O-N 3.34Å; G41-A44 PolarHBondContact O-N 3.32Å; G41-V45 WeakPolarHBondContact O-CB 3.36Å; G41-V45 WeakPolarHBondContact O-CG2 3.48Å; G41-V45 PolarHBondContact O-N 2.84Å
42	L	76.1	Confident	69.8	Low	104 Å²	104	84.5 Å²	84.5	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-45.7	176.4	-161.5	103.6	0	0	0	111.5	L38 L39 V45 L46	L38-L42 WeakPolarHBondContact O-CB 3.2Å; L38-L42 PolarHBondContact O-N 3.03Å; L39-L42 PolarHBondContact O-N 3.35Å; L42-V45 PolarHBondContact O-N 3.02Å; L42-L46 HydrophobicContact CD2-CD1 3.82Å; L42-L46 HydrophobicContact CG-CD1 4.16Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.84Å
43	V	75.6	Confident	70.1	Confident	92 Å²	92	83.7 Å²	83.7	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-64.5	-40.2	176.8	170.3	0	0	0	0	111.3	L39 C40 L46 G47	L39-V43 WeakPolarHBondContact O-CB 3.47Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.74Å; C40-V43 PolarHBondContact O-N 3.37Å; V43-L46 PolarHBondContact O-N 3.4Å; V43-G47 WeakPolarHBondContact O-CA 3.34Å; V43-G47 PolarHBondContact O-N 3.03Å
44	A	75.7	Confident	70	Confident	62 Å²	62	87.9 Å²	87.9	51%	0.512	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-40.2	175	0	0	0	0	0	111.8	C40 G41 W48	C40-A44 VanDerWaalsContact O-CB 3.23Å; C40-A44 WeakPolarHBondContact O-CB 3.26Å; C40-A44 PolarHBondContact O-N 3Å; G41-A44 PolarHBondContact O-N 3.32Å; A44-W48 VanDerWaalsContact O-CB 3.27Å; A44-W48 WeakPolarHBondContact O-CB 3.34Å; A44-W48 PolarHBondContact O-N 2.99Å
45	V	74.7	Confident	69.7	Low	53 Å²	53	97.5 Å²	97.5	32%	0.321	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-45.3	175.7	163	0	0	0	0	111.7	G41 L42 S49 L68	G41-V45 WeakPolarHBondContact O-CB 3.36Å; G41-V45 WeakPolarHBondContact O-CG2 3.48Å; G41-V45 PolarHBondContact O-N 2.84Å; L42-V45 PolarHBondContact O-N 3.02Å; V45-S49 VanDerWaalsContact O-CB 3.22Å; V45-S49 WeakPolarHBondContact O-CB 3.36Å; V45-S49 PolarHBondContact O-N 3.11Å; V45-L68 HydrophobicContact CG1-CD1 3.7Å; V45-L68 HydrophobicContact CG1-CD2 3.65Å; V45-L68 HydrophobicContact CG1-CG 3.62Å
46	L	75.8	Confident	69.8	Low	71 Å²	71	94.6 Å²	94.6	37%	0.372	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-41.8	176.1	-70	174.4	0	0	0	110.7	L42 V43 S49 W50 P67	L42-L46 HydrophobicContact CD2-CD1 3.82Å; L42-L46 HydrophobicContact CG-CD1 4.16Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.84Å; V43-L46 PolarHBondContact O-N 3.4Å; L46-S49 PolarHBondContact O-N 2.73Å; L46-W50 VanDerWaalsContact O-CB 3.29Å; L46-W50 WeakPolarHBondContact O-CB 3.25Å; L46-W50 PolarHBondContact O-N 2.79Å; L46-P67 HydrophobicContact CD2-CB 3.58Å; L46-P67 HydrophobicContact CD2-CG 3.37Å
47	G	69.3	Low	70.3	Confident	27 Å²	27	101.9 Å²	101.9	28%	0.278	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-48.2	175	0	0	0	0	0	112.4	V43 W50 L51	V43-G47 WeakPolarHBondContact O-CA 3.34Å; V43-G47 PolarHBondContact O-N 3.03Å; G47-W50 PolarHBondContact O-N 2.9Å; G47-L51 WeakPolarHBondContact O-CB 3.21Å; G47-L51 WeakPolarHBondContact O-CD1 3.23Å; G47-L51 PolarHBondContact O-N 2.88Å
48	W	71	Confident	71.1	Confident	170 Å²	170	97.9 Å²	97.9	64%	0.644	49%	0.489	S	S	*	.	H	α-helix	trans	-58.2	-50.9	172.3	-176.7	-22.3	0	0	0	109.9	A44 W50 L51 R52	A44-W48 VanDerWaalsContact O-CB 3.27Å; A44-W48 WeakPolarHBondContact O-CB 3.34Å; A44-W48 PolarHBondContact O-N 2.99Å; W48-W50 PolarHBondContact O-N 3.18Å; W48-L51 PolarHBondContact O-N 2.93Å; W48-R52 PolarHBondContact O-N 2.99Å
49	S	68.2	Low	72	Confident	20 Å²	20	93.8 Å²	93.8	14%	0.14	47%	0.468	C	S	.	.	H	α-helix	trans	-56.8	-38.8	178.9	-176	0	0	0	0	112.1	V45 L46 R53	V45-S49 VanDerWaalsContact O-CB 3.22Å; V45-S49 WeakPolarHBondContact O-CB 3.36Å; V45-S49 PolarHBondContact O-N 3.11Å; L46-S49 PolarHBondContact O-N 2.73Å; S49-R53 VanDerWaalsContact O-CG 3.27Å; S49-R53 WeakPolarHBondContact O-CG 3.37Å; S49-R53 PolarHBondContact O-N 3.07Å; S49-R53 PolarHBondContact O-NE 3.25Å; S49-R53 PolarHBondContact OG-NE 3.36Å; S49-R53 PolarHBondContact OG-NH2 3.45Å
50	W	67.3	Low	73.1	Confident	134 Å²	134	88.4 Å²	88.4	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-71.4	-43.4	176.1	-178.5	86.8	0	0	0	112.7	L46 G47 W48 R52 R53 R54	L46-W50 VanDerWaalsContact O-CB 3.29Å; L46-W50 WeakPolarHBondContact O-CB 3.25Å; L46-W50 PolarHBondContact O-N 2.79Å; G47-W50 PolarHBondContact O-N 2.9Å; W48-W50 PolarHBondContact O-N 3.18Å; W50-R52 PolarHBondContact O-N 3.12Å; W50-R53 WeakPolarHBondContact O-CB 3.21Å; W50-R53 PolarHBondContact O-N 2.95Å; W50-R54 VanDerWaalsContact CH2-NE 3.32Å; W50-R54 VanDerWaalsContact CZ2-NE 3.28Å; W50-R54 PolarHBondContact O-N 3Å
51	L	64.3	Low	74.1	Confident	104 Å²	104	86.5 Å²	86.5	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-41.3	175.3	-87.2	149.5	0	0	0	112.3	G47 W48 R53 R54 R55	G47-L51 WeakPolarHBondContact O-CB 3.21Å; G47-L51 WeakPolarHBondContact O-CD1 3.23Å; G47-L51 PolarHBondContact O-N 2.88Å; W48-L51 PolarHBondContact O-N 2.93Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R54 PolarHBondContact O-N 3.43Å; L51-R55 PolarHBondContact O-N 3.42Å
52	R	66.4	Low	74.8	Confident	126 Å²	126	86.1 Å²	86.1	48%	0.475	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-40.2	174	-105.9	-172.9	171.7	-177.8	-4.5	111.7	W48 W50 R54 R55	W48-R52 PolarHBondContact O-N 2.99Å; W50-R52 PolarHBondContact O-N 3.12Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R52-R55 PolarHBondContact O-N 3.23Å
53	R	64.5	Low	75.3	Confident	83 Å²	83	81.6 Å²	81.6	31%	0.313	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-38.9	174.8	-76.1	-179.7	-111.7	-156.5	-4.4	112.1	S49 W50 L51 R55 A56 P65	S49-R53 VanDerWaalsContact O-CG 3.27Å; S49-R53 WeakPolarHBondContact O-CG 3.37Å; S49-R53 PolarHBondContact O-N 3.07Å; S49-R53 PolarHBondContact O-NE 3.25Å; S49-R53 PolarHBondContact OG-NE 3.36Å; S49-R53 PolarHBondContact OG-NH2 3.45Å; W50-R53 WeakPolarHBondContact O-CB 3.21Å; W50-R53 PolarHBondContact O-N 2.95Å; L51-R53 VanDerWaalsContact C-N 3.34Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.39Å; R53-A56 PolarHBondContact O-N 3.05Å; R53-P65 PolarHBondContact NH1-O 3.37Å
54	R	58.7	Low	75.7	Confident	153 Å²	153	82.8 Å²	82.8	58%	0.577	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-26.9	174.3	-94.1	-167.4	171.1	-162.6	2.2	114.2	W50 L51 R52 A56	W50-R54 VanDerWaalsContact CH2-NE 3.32Å; W50-R54 VanDerWaalsContact CZ2-NE 3.28Å; W50-R54 PolarHBondContact O-N 3Å; L51-R54 PolarHBondContact O-N 3.43Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R54-A56 PolarHBondContact O-N 3.39Å
55	R	58.2	Low	76.1	Confident	223 Å²	223	80.8 Å²	80.8	84%	0.842	39%	0.388	S	S	*	.	H	α-helix	trans	-68.8	-18.6	176.1	-78	-175.3	-177.9	171.5	1.8	113.2	L51 R52 R53 R57	L51-R55 PolarHBondContact O-N 3.42Å; R52-R55 PolarHBondContact O-N 3.23Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.39Å; R55-R57 PolarHBondContact O-N 3.4Å
56	A	63.3	Low	76.3	Confident	27 Å²	27	85 Å²	85	22%	0.223	40%	0.398	C	S	.	.			trans	-93.5	58.4	-179.7	0	0	0	0	0	111.8	R53 R54 I59	R53-A56 PolarHBondContact O-N 3.05Å; R54-A56 PolarHBondContact O-N 3.39Å; A56-I59 HydrophobicContact CB-CD1 3.8Å; A56-I59 HydrophobicContact CB-CG1 4.06Å; A56-I59 HydrophobicContact CB-CG2 3.73Å
57	R	76.6	Confident	76.4	Confident	204 Å²	204	83.9 Å²	83.9	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	134.9	171.7	-72.3	-175.5	178.2	178.6	-1.8	109.5	R55 I59	R55-R57 PolarHBondContact O-N 3.4Å; R57-I59 PolarHBondContact O-N 3.03Å
58	G	88.1	Confident	76.7	Confident	45 Å²	45	88.2 Å²	88.2	46%	0.464	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	10.6	176	0	0	0	0	0	115.7	Y434 T435	G58-Y434 CarbonylContact O-C 3.33Å; G58-Y434 WeakPolarHBondContact O-CA 3.27Å; G58-T435 PolarHBondContact O-N 3.34Å
59	I	94.1	Very high	77.1	Confident	34 Å²	34	81.3 Å²	81.3	17%	0.174	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-70	159.5	171.9	64.7	163.1	0	0	0	111.2	A56 R57 F121 L126 P437	A56-I59 HydrophobicContact CB-CD1 3.8Å; A56-I59 HydrophobicContact CB-CG1 4.06Å; A56-I59 HydrophobicContact CB-CG2 3.73Å; R57-I59 PolarHBondContact O-N 3.03Å; I59-F121 HydrophobicContact CD1-CE2 4.37Å; I59-F121 HydrophobicContact CD1-CZ 4.14Å; I59-L126 HydrophobicContact CD1-CD1 4.01Å; I59-L126 HydrophobicContact CG2-CD2 4.1Å; I59-P437 HydrophobicContact CG2-CG 4.41Å
60	P	95.9	Very high	77.9	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.013	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-55.9	145.4	176	-24.7	34.2	0	0	0	112.5	I117 S119 V128 Y434 I436	P60-I117 HydrophobicContact CB-CG2 3.9Å; P60-I117 HydrophobicContact CG-CG2 3.7Å; P60-S119 PolarHBondContact O-OG 3.47Å; P60-V128 HydrophobicContact CG-CG1 4.05Å; P60-V128 HydrophobicContact CG-CG2 4.02Å; P60-Y434 HydrophobicContact CB-CD1 4.35Å; P60-Y434 HydrophobicContact CB-CD2 4.28Å; P60-Y434 HydrophobicContact CB-CG 4.15Å; P60-Y434 HydrophobicContact CG-CD1 4.36Å; P60-Y434 HydrophobicContact CG-CD2 4.13Å; P60-Y434 HydrophobicContact CG-CG 3.83Å; P60-I436 HydrophobicContact CG-CD1 3.71Å
61	P	94.8	Very high	78.7	Confident	47 Å²	47	74.9 Å²	74.9	31%	0.305	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63	161.2	179.3	30.2	-37.8	0	0	0	111.4	Y114 F118 S119 Y434	P61-Y114 HydrophobicContact CB-CD1 4.33Å; P61-Y114 WeakPolarHBondContact CG-O 3.5Å; P61-F118 CarbonylContact O-C 3.37Å; P61-F118 VanDerWaalsContact O-CA 3.23Å; P61-F118 WeakPolarHBondContact O-CA 3.38Å; P61-F118 VanDerWaalsContact O-CB 3.28Å; P61-F118 WeakPolarHBondContact O-CB 3.45Å; P61-S119 PolarHBondContact O-N 3.08Å; P61-Y434 WeakPolarHBondContact CD-OH 3.46Å
62	G	91.8	Very high	79.1	Confident	27 Å²	27	71.3 Å²	71.3	28%	0.278	34%	0.343	S	S	.	.			trans	-179.6	170.3	-176.3	0	0	0	0	0	114.8	Y114 S119	G62-Y114 VanDerWaalsContact C-CE1 3.44Å; G62-S119 WeakPolarHBondContact CA-O 3.42Å
63	P	88.1	Confident	79	Confident	10 Å²	10	65.5 Å²	65.5	7%	0.065	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.5	140.5	175.9	26.1	-33.9	0	0	0	111.7	P65 N71 W86 Y114 S119 F120	P63-P65 WeakPolarHBondContact O-CD 3.39Å; P63-N71 WeakPolarHBondContact CG-ND2 3.37Å; P63-N71 PolarHBondContact O-ND2 2.97Å; P63-W86 HydrophobicContact CB-CH2 4.49Å; P63-W86 HydrophobicContact CB-CZ3 4.03Å; P63-Y114 WeakPolarHBondContact CA-OH 3.34Å; P63-Y114 HydrophobicContact CB-CE2 4.46Å; P63-S119 WeakPolarHBondContact CD-O 3.19Å; P63-F120 HydrophobicContact CG-CB 4.18Å
64	T	83.8	Confident	79	Confident	116 Å²	116	64.3 Å²	64.3	71%	0.712	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-62.6	123.1	-178.9	-47.4	0	0	0	0	111.3	N71	T64-N71 PolarHBondContact O-ND2 2.98Å
65	P	83.9	Confident	79	Confident	20 Å²	20	57.8 Å²	57.8	13%	0.13	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-78	148.7	-177.6	29.9	-34.6	0	0	0	112.2	R53 P63 F121	R53-P65 PolarHBondContact NH1-O 3.37Å; P63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-F121 HydrophobicContact CB-CB 4.13Å; P65-F121 HydrophobicContact CB-CD2 3.92Å; P65-F121 HydrophobicContact CB-CG 4.28Å; P65-F121 HydrophobicContact CG-CD2 3.79Å; P65-F121 HydrophobicContact CG-CE2 4.2Å; P65-F121 HydrophobicContact CG-CG 4.47Å
66	W	78.9	Confident	79.1	Confident	141 Å²	141	52.2 Å²	52.2	53%	0.534	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-74.2	152.5	167.7	-71.6	45.3	0	0	0	110.1	V69 G70	W66-V69 HydrophobicContact CB-CG2 3.87Å; W66-G70 VanDerWaalsContact CB-O 3.31Å; W66-G70 WeakPolarHBondContact CB-O 3.43Å; W66-G70 PolarHBondContact N-O 3.37Å; W66-G70 PolarHBondContact O-N 3.15Å
67	P	77.8	Confident	78.9	Confident	49 Å²	49	53 Å²	53	32%	0.318	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141.2	171.6	-20.2	31.5	0	0	0	111.6	L46 V69	L46-P67 HydrophobicContact CD2-CB 3.58Å; L46-P67 HydrophobicContact CD2-CG 3.37Å; P67-V69 PolarHBondContact O-N 3.29Å
68	L	75.8	Confident	77.7	Confident	117 Å²	117	45.7 Å²	45.7	61%	0.613	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	-46.3	179.6	-63.4	174.6	0	0	0	117.3	V45 G123	V45-L68 HydrophobicContact CG1-CD1 3.7Å; V45-L68 HydrophobicContact CG1-CD2 3.65Å; V45-L68 HydrophobicContact CG1-CG 3.62Å; L68-G123 CarbonylContact O-C 3.38Å; L68-G123 VanDerWaalsContact O-CA 3.24Å; L68-G123 WeakPolarHBondContact O-CA 3.28Å
69	V	78.9	Confident	76.2	Confident	25 Å²	25	48.4 Å²	48.4	15%	0.152	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.1	-169.1	-60.6	0	0	0	0	113.1	W66 P67 F72 G73 L76 G123	W66-V69 HydrophobicContact CB-CG2 3.87Å; P67-V69 PolarHBondContact O-N 3.29Å; V69-F72 PolarHBondContact O-N 2.85Å; V69-G73 VanDerWaalsContact CG2-CA 3.47Å; V69-L76 HydrophobicContact CB-CD1 4.22Å; V69-L76 HydrophobicContact CG1-CD1 3.6Å; V69-L76 HydrophobicContact CG2-CD1 4.48Å; V69-G123 PolarHBondContact O-N 3.15Å
70	G	84.9	Confident	74.4	Confident	2 Å²	2	54 Å²	54	2%	0.021	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	66.4	-139.7	179.9	0	0	0	0	0	111.7	W66 F72	W66-G70 VanDerWaalsContact CB-O 3.31Å; W66-G70 WeakPolarHBondContact CB-O 3.43Å; W66-G70 PolarHBondContact N-O 3.37Å; W66-G70 PolarHBondContact O-N 3.15Å; G70-F72 PolarHBondContact O-N 2.8Å
71	N	83.8	Confident	72.3	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.091	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.1	179.1	-61.4	88.6	0	0	0	113.1	P63 T64 H74 F120 F121	P63-N71 WeakPolarHBondContact CG-ND2 3.37Å; P63-N71 PolarHBondContact O-ND2 2.97Å; T64-N71 PolarHBondContact O-ND2 2.98Å; N71-H74 PolarHBondContact O-CE1 2.8Å; N71-H74 PolarHBondContact O-ND1 3.25Å; N71-F120 HydrophobicContact CB-CB 4.25Å; N71-F121 PolarHBondContact N-O 3.28Å; N71-F121 PolarHBondContact OD1-N 2.91Å
72	F	72.5	Confident	70.3	Confident	30 Å²	30	59.6 Å²	59.6	13%	0.132	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.1	177.8	-89.3	-105.4	0	0	0	114.4	V69 G70 H74 V75 F120 I122 L268 M269	V69-F72 PolarHBondContact O-N 2.85Å; G70-F72 PolarHBondContact O-N 2.8Å; F72-H74 PolarHBondContact O-N 3.11Å; F72-V75 HydrophobicContact CD1-CG2 3.85Å; F72-V75 WeakPolarHBondContact O-CB 3.45Å; F72-V75 PolarHBondContact O-N 3.45Å; F72-F120 HydrophobicContact CE2-CE2 4.22Å; F72-I122 HydrophobicContact CD2-CB 4.25Å; F72-I122 HydrophobicContact CD2-CD1 4.34Å; F72-I122 HydrophobicContact CD2-CG1 3.77Å; F72-I122 HydrophobicContact CD2-CG2 4.07Å; F72-I122 HydrophobicContact CE2-CB 4.33Å; F72-I122 HydrophobicContact CE2-CD1 3.57Å; F72-I122 HydrophobicContact CE2-CG1 3.45Å; F72-I122 VanDerWaalsContact CE2-CG1 3.45Å; F72-I122 HydrophobicContact CE2-CG2 4.22Å; F72-I122 HydrophobicContact CG-CG2 4.48Å; F72-I122 HydrophobicContact CZ-CD1 4Å; F72-I122 HydrophobicContact CZ-CG1 4.34Å; F72-L268 HydrophobicContact CE1-CB 4.31Å; F72-L268 HydrophobicContact CE1-CD1 3.92Å; F72-L268 HydrophobicContact CZ-CD1 4.04Å; F72-M269 HydrophobicContact CB-CE 3.8Å; F72-M269 HydrophobicContact CD1-CE 3.48Å; F72-M269 VanDerWaalsContact CD1-CE 3.48Å; F72-M269 HydrophobicContact CE1-CE 4.35Å; F72-M269 HydrophobicContact CG-CE 3.89Å
73	G	64.1	Low	68.2	Low	3 Å²	3	67.5 Å²	67.5	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-55.6	-26.7	-178.1	0	0	0	0	0	114.7	V69 V75 L76	V69-G73 VanDerWaalsContact CG2-CA 3.47Å; G73-V75 PolarHBondContact O-N 2.76Å; G73-L76 PolarHBondContact O-N 3.03Å; G73-L76 VanDerWaalsContact O-N 3.13Å
74	H	64.3	Low	66.1	Low	59 Å²	59	77.1 Å²	77.1	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-26	174.9	69.2	-83.9	0	0	0	113.6	N71 F72 L76 L77 R82	N71-H74 PolarHBondContact O-CE1 2.8Å; N71-H74 PolarHBondContact O-ND1 3.25Å; F72-H74 PolarHBondContact O-N 3.11Å; H74-L76 VanDerWaalsContact C-N 3.26Å; H74-L76 PolarHBondContact O-N 3.23Å; H74-L77 PolarHBondContact O-N 2.79Å; H74-R82 WeakPolarHBondContact O-CG 3.41Å; H74-R82 PolarHBondContact O-NE 3.47Å; H74-R82 VanDerWaalsContact O-NE 3.11Å
75	V	59.9	Low	64.6	Low	15 Å²	15	72.6 Å²	72.6	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-69.4	-28.1	175.8	-179.1	0	0	0	0	111	F72 G73 L77 R82	F72-V75 HydrophobicContact CD1-CG2 3.85Å; F72-V75 WeakPolarHBondContact O-CB 3.45Å; F72-V75 PolarHBondContact O-N 3.45Å; G73-V75 PolarHBondContact O-N 2.76Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-R82 PolarHBondContact O-NH2 3.32Å
76	L	60.1	Low	63	Low	106 Å²	106	77.8 Å²	77.8	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-83	-11.5	178	-59.6	174.2	0	0	0	112.8	V69 G73 H74 M269	V69-L76 HydrophobicContact CB-CD1 4.22Å; V69-L76 HydrophobicContact CG1-CD1 3.6Å; V69-L76 HydrophobicContact CG2-CD1 4.48Å; G73-L76 PolarHBondContact O-N 3.03Å; G73-L76 VanDerWaalsContact O-N 3.13Å; H74-L76 VanDerWaalsContact C-N 3.26Å; H74-L76 PolarHBondContact O-N 3.23Å; L76-M269 HydrophobicContact CD2-SD 4.34Å
77	L	57.9	Low	61.6	Low	43 Å²	43	73 Å²	73	23%	0.225	35%	0.347	C	S	.	.	S	Bend	trans	-77.3	137.5	176.4	-64.8	176.5	0	0	0	110.8	H74 V75 L81 R82	H74-L77 PolarHBondContact O-N 2.79Å; V75-L77 VanDerWaalsContact C-N 3.31Å; L77-L81 HydrophobicContact CB-CB 4.23Å; L77-R82 HydrophobicContact CB-CG 4.02Å; L77-R82 WeakPolarHBondContact O-CG 3.41Å; L77-R82 PolarHBondContact O-NE 2.89Å
78	P	52.3	Low	60.3	Low	51 Å²	51	71 Å²	71	33%	0.331	33%	0.334	S	S	.	.			trans	-52.7	148	168.7	-26.2	32.6	0	0	0	112.1	F80 L81 R82	P78-F80 HydrophobicContact CB-CD1 3.68Å; P78-F80 HydrophobicContact CB-CE1 3.23Å; P78-F80 HydrophobicContact CB-CE2 4.49Å; P78-F80 HydrophobicContact CB-CG 4.46Å; P78-F80 HydrophobicContact CB-CZ 3.7Å; P78-F80 HydrophobicContact CG-CE1 4.03Å; P78-F80 HydrophobicContact CG-CZ 4.06Å; P78-F80 PolarHBondContact O-N 3.3Å; P78-L81 HydrophobicContact CG-CD1 4.23Å; P78-L81 WeakPolarHBondContact O-CA 3.27Å; P78-L81 PolarHBondContact O-N 3.22Å; P78-R82 PolarHBondContact O-N 2.95Å
79	P	57.3	Low	59.1	Low	103 Å²	103	68.4 Å²	68.4	67%	0.669	33%	0.325	S	S	*	.	H	α-helix	trans	-52.3	-34.1	-175.2	-28.6	34.7	0	0	0	115.1	R82	P79-R82 PolarHBondContact O-N 2.83Å
80	F	55.3	Low	57.8	Low	152 Å²	152	73.6 Å²	73.6	67%	0.667	34%	0.342	S	S	*	.	H	α-helix	trans	-71.3	-29.2	177.6	62.8	-91.3	0	0	0	113.4	P78	P78-F80 HydrophobicContact CB-CD1 3.68Å; P78-F80 HydrophobicContact CB-CE1 3.23Å; P78-F80 HydrophobicContact CB-CE2 4.49Å; P78-F80 HydrophobicContact CB-CG 4.46Å; P78-F80 HydrophobicContact CB-CZ 3.7Å; P78-F80 HydrophobicContact CG-CE1 4.03Å; P78-F80 HydrophobicContact CG-CZ 4.06Å; P78-F80 PolarHBondContact O-N 3.3Å
81	L	52.6	Low	56	Low	76 Å²	76	73.9 Å²	73.9	40%	0.398	34%	0.343	S	S	.	.	H	α-helix	trans	-84.9	-26.3	173.3	-72.1	169	0	0	0	112.3	L77 P78 R83 R84	L77-L81 HydrophobicContact CB-CB 4.23Å; P78-L81 HydrophobicContact CG-CD1 4.23Å; P78-L81 WeakPolarHBondContact O-CA 3.27Å; P78-L81 PolarHBondContact O-N 3.22Å; L81-R83 PolarHBondContact O-N 3.35Å; L81-R84 PolarHBondContact O-N 3.39Å
82	R	52.6	Low	54.4	Low	90 Å²	90	78.9 Å²	78.9	34%	0.34	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-35.1	172.8	-73.6	-174.8	-177.9	-179.5	0.5	112.4	H74 V75 L77 P78 P79 R84 S85 S88	H74-R82 WeakPolarHBondContact O-CG 3.41Å; H74-R82 PolarHBondContact O-NE 3.47Å; H74-R82 VanDerWaalsContact O-NE 3.11Å; V75-R82 PolarHBondContact O-NH2 3.32Å; L77-R82 HydrophobicContact CB-CG 4.02Å; L77-R82 WeakPolarHBondContact O-CG 3.41Å; L77-R82 PolarHBondContact O-NE 2.89Å; P78-R82 PolarHBondContact O-N 2.95Å; P79-R82 PolarHBondContact O-N 2.83Å; R82-R84 PolarHBondContact O-N 3.21Å; R82-R84 VanDerWaalsContact O-N 3.14Å; R82-S85 WeakPolarHBondContact O-CB 3.39Å; R82-S85 PolarHBondContact O-N 2.98Å; R82-S85 VanDerWaalsContact O-N 3.11Å; R82-S88 PolarHBondContact O-OG 3.5Å
83	R	48	Very low	53.2	Low	192 Å²	192	81.9 Å²	81.9	73%	0.725	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-6.8	173.2	-76.5	-172.7	178.5	-172.5	0.6	114.2	L81 R92	L81-R83 PolarHBondContact O-N 3.35Å; R83-R92 PolarHBondContact O-NH2 2.88Å
84	R	43.5	Very low	52.3	Low	213 Å²	213	84 Å²	84	80%	0.804	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	5.9	173.1	-82.2	-177.5	171.6	174.3	-2.3	113.2	L81 R82	L81-R84 PolarHBondContact O-N 3.39Å; R82-R84 PolarHBondContact O-N 3.21Å; R82-R84 VanDerWaalsContact O-N 3.14Å
85	S	52.5	Low	51	Low	20 Å²	20	84.8 Å²	84.8	14%	0.14	43%	0.433	C	S	.	.			trans	-63.6	145	178.7	173.2	0	0	0	0	111.6	R82 L87 S88 S89	R82-S85 WeakPolarHBondContact O-CB 3.39Å; R82-S85 PolarHBondContact O-N 2.98Å; R82-S85 VanDerWaalsContact O-N 3.11Å; S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 3.12Å; S85-S88 PolarHBondContact N-OG 2.93Å; S85-S88 WeakPolarHBondContact O-CA 3.33Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 3.27Å; S85-S88 PolarHBondContact O-OG 3.25Å; S85-S89 PolarHBondContact O-N 3.25Å; S85-S89 PolarHBondContact O-OG 3.25Å; S85-S89 VanDerWaalsContact O-OG 3.09Å
86	W	51	Low	50.5	Low	130 Å²	130	86.1 Å²	86.1	49%	0.492	44%	0.438	S	S	.	.	H	α-helix	trans	-54.9	-41.6	176.2	-179.5	83.4	0	0	0	112.5	P63 S88 S89 R90 Y114	P63-W86 HydrophobicContact CB-CH2 4.49Å; P63-W86 HydrophobicContact CB-CZ3 4.03Å; W86-S88 VanDerWaalsContact C-N 3.32Å; W86-S88 PolarHBondContact O-N 2.98Å; W86-S89 PolarHBondContact O-N 3.25Å; W86-R90 PolarHBondContact O-N 2.91Å; W86-R90 VanDerWaalsContact O-N 3.13Å; W86-Y114 WeakPolarHBondContact CH2-OH 3.5Å
87	L	49.4	Very low	49.7	Very low	41 Å²	41	85 Å²	85	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-60.2	-41.7	172.6	-99.3	104.7	0	0	0	111.6	S85 S89 T91 L106	S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 3.12Å; L87-S89 VanDerWaalsContact C-N 3.27Å; L87-S89 PolarHBondContact O-N 2.89Å; L87-T91 WeakPolarHBondContact O-CB 3.26Å; L87-T91 VanDerWaalsContact O-CG2 3.22Å; L87-T91 WeakPolarHBondContact O-CG2 3.34Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 3Å; L87-L106 HydrophobicContact CD2-CD2 4.31Å
88	S	50	Low	49	Very low	7 Å²	7	86.1 Å²	86.1	5%	0.049	44%	0.443	C	S	.	.	H	α-helix	trans	-70.6	-22.7	-179.3	84	0	0	0	0	113.8	R82 S85 W86 T91 R92	R82-S88 PolarHBondContact O-OG 3.5Å; S85-S88 PolarHBondContact N-OG 2.93Å; S85-S88 WeakPolarHBondContact O-CA 3.33Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 3.27Å; S85-S88 PolarHBondContact O-OG 3.25Å; W86-S88 VanDerWaalsContact C-N 3.32Å; W86-S88 PolarHBondContact O-N 2.98Å; S88-T91 VanDerWaalsContact CA-OG1 3.26Å; S88-T91 WeakPolarHBondContact CA-OG1 3.35Å; S88-T91 PolarHBondContact O-OG1 3.48Å; S88-R92 WeakPolarHBondContact O-CB 3.46Å; S88-R92 PolarHBondContact O-N 2.68Å; S88-R92 PolarHBondContact O-NE 3.48Å; S88-R92 PolarHBondContact OG-NH2 2.93Å
89	S	50	Low	48.6	Very low	61 Å²	61	88.6 Å²	88.6	43%	0.427	46%	0.461	S	S	.	.	H	α-helix	trans	-86.2	-41.2	-177.9	-56.1	0	0	0	0	110.9	S85 W86 L87 A93	S85-S89 PolarHBondContact O-N 3.25Å; S85-S89 PolarHBondContact O-OG 3.25Å; S85-S89 VanDerWaalsContact O-OG 3.09Å; W86-S89 PolarHBondContact O-N 3.25Å; L87-S89 VanDerWaalsContact C-N 3.27Å; L87-S89 PolarHBondContact O-N 2.89Å; S89-A93 VanDerWaalsContact O-CB 3.3Å; S89-A93 WeakPolarHBondContact O-CB 3.1Å; S89-A93 PolarHBondContact O-N 3.08Å
90	R	52.9	Low	48.2	Very low	134 Å²	134	88.2 Å²	88.2	51%	0.506	46%	0.457	S	S	.	.	H	α-helix	trans	-71.9	-38.7	173.2	-88.3	-172.2	157.7	-170.4	-6.9	113.2	W86 A93 A94	W86-R90 PolarHBondContact O-N 2.91Å; W86-R90 VanDerWaalsContact O-N 3.13Å; R90-A93 PolarHBondContact O-N 3.1Å; R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 2.63Å
91	T	46.3	Very low	48.7	Very low	8 Å²	8	83.2 Å²	83.2	5%	0.049	44%	0.439	C	S	.	.	H	α-helix	trans	-62.2	-43.8	173.3	47.1	0	0	0	0	111.3	L87 S88 A94 G95 I96 L106	L87-T91 WeakPolarHBondContact O-CB 3.26Å; L87-T91 VanDerWaalsContact O-CG2 3.22Å; L87-T91 WeakPolarHBondContact O-CG2 3.34Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 3Å; S88-T91 VanDerWaalsContact CA-OG1 3.26Å; S88-T91 WeakPolarHBondContact CA-OG1 3.35Å; S88-T91 PolarHBondContact O-OG1 3.48Å; T91-A94 CarbonylContact O-C 3.56Å; T91-A94 WeakPolarHBondContact O-CA 3.34Å; T91-A94 WeakPolarHBondContact O-CB 3.2Å; T91-A94 PolarHBondContact O-N 3.23Å; T91-A94 VanDerWaalsContact O-N 3.15Å; T91-G95 PolarHBondContact O-N 2.98Å; T91-I96 CarbonylContact C-O 3.48Å; T91-I96 VanDerWaalsContact C-O 3.25Å; T91-I96 WeakPolarHBondContact O-CA 3.37Å; T91-I96 WeakPolarHBondContact O-CB 3.46Å; T91-I96 PolarHBondContact O-N 3.35Å; T91-L106 HydrophobicContact CG2-CD1 3.99Å
92	R	49.8	Very low	50	Low	123 Å²	123	80.6 Å²	80.6	46%	0.464	43%	0.43	S	S	.	.	H	α-helix	trans	-67.5	-36	173	-86.4	-178.6	-79.2	177.5	-7	114.3	R83 S88 A94 G95 I96	R83-R92 PolarHBondContact O-NH2 2.88Å; S88-R92 WeakPolarHBondContact O-CB 3.46Å; S88-R92 PolarHBondContact O-N 2.68Å; S88-R92 PolarHBondContact O-NE 3.48Å; S88-R92 PolarHBondContact OG-NH2 2.93Å; R92-A94 PolarHBondContact O-N 2.89Å; R92-G95 WeakPolarHBondContact O-CA 3.44Å; R92-G95 PolarHBondContact O-N 3.16Å; R92-I96 PolarHBondContact N-O 3.41Å
93	A	47.7	Very low	51.6	Low	93 Å²	93	79 Å²	79	77%	0.769	43%	0.431	S	S	*	.	H	α-helix	trans	-63.5	-25.9	172.2	0	0	0	0	0	112.3	S89 R90 G95	S89-A93 VanDerWaalsContact O-CB 3.3Å; S89-A93 WeakPolarHBondContact O-CB 3.1Å; S89-A93 PolarHBondContact O-N 3.08Å; R90-A93 PolarHBondContact O-N 3.1Å; A93-G95 VanDerWaalsContact C-N 3.32Å
94	A	45.5	Very low	53.6	Low	48 Å²	48	70 Å²	70	40%	0.397	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	9.9	170	0	0	0	0	0	113.7	R90 T91 R92 I96	R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 2.63Å; T91-A94 CarbonylContact O-C 3.56Å; T91-A94 WeakPolarHBondContact O-CA 3.34Å; T91-A94 WeakPolarHBondContact O-CB 3.2Å; T91-A94 PolarHBondContact O-N 3.23Å; T91-A94 VanDerWaalsContact O-N 3.15Å; R92-A94 PolarHBondContact O-N 2.89Å; A94-I96 HydrophobicContact CB-CD1 4.37Å
95	G	36.9	Very low	55.9	Low	75 Å²	75	62 Å²	62	77%	0.773	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	14.7	178.6	0	0	0	0	0	115.5	T91 R92 A93	T91-G95 PolarHBondContact O-N 2.98Å; R92-G95 WeakPolarHBondContact O-CA 3.44Å; R92-G95 PolarHBondContact O-N 3.16Å; A93-G95 VanDerWaalsContact C-N 3.32Å
96	I	48.6	Very low	57.6	Low	42 Å²	42	63.5 Å²	63.5	22%	0.215	38%	0.379	C	S	.	.			trans	-110.4	127.4	-170.6	-61.1	169.1	0	0	0	111.2	T91 R92 A94 P98 V101	T91-I96 CarbonylContact C-O 3.48Å; T91-I96 VanDerWaalsContact C-O 3.25Å; T91-I96 WeakPolarHBondContact O-CA 3.37Å; T91-I96 WeakPolarHBondContact O-CB 3.46Å; T91-I96 PolarHBondContact O-N 3.35Å; R92-I96 PolarHBondContact N-O 3.41Å; A94-I96 HydrophobicContact CB-CD1 4.37Å; I96-P98 VanDerWaalsContact O-CD 3.27Å; I96-P98 WeakPolarHBondContact O-CD 3.43Å; I96-V101 HydrophobicContact CG2-CB 4Å; I96-V101 HydrophobicContact CG2-CG1 4.44Å; I96-V101 HydrophobicContact CG2-CG2 3.35Å
97	D	42.9	Very low	59.6	Low	84 Å²	84	58 Å²	58	45%	0.449	36%	0.359	S	S	.	.			trans	-81.7	111.2	165.8	-170.9	-22.1	0	0	0	109.8	S99 V100	D97-S99 PolarHBondContact O-N 3.21Å; D97-S99 VanDerWaalsContact O-N 3.1Å; D97-S99 WeakPolarHBondContact OD1-CB 3.48Å; D97-S99 PolarHBondContact OD1-N 3.27Å; D97-S99 PolarHBondContact OD1-OG 3.24Å; D97-S99 PolarHBondContact OD2-OG 3.37Å; D97-V100 HydrophobicContact CB-CB 4.27Å; D97-V100 HydrophobicContact CB-CG2 3.92Å; D97-V100 PolarHBondContact O-N 3.01Å
98	P	44.8	Very low	61.6	Low	66 Å²	66	56.5 Å²	56.5	43%	0.429	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.7	-179.5	26.9	-34.3	0	0	0	114.1	I96 V100	I96-P98 VanDerWaalsContact O-CD 3.27Å; I96-P98 WeakPolarHBondContact O-CD 3.43Å; P98-V100 VanDerWaalsContact C-N 3.33Å
99	S	43.3	Very low	63.4	Low	102 Å²	102	58.2 Å²	58.2	71%	0.713	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.8	171	68.6	0	0	0	0	113.9	D97	D97-S99 PolarHBondContact O-N 3.21Å; D97-S99 VanDerWaalsContact O-N 3.1Å; D97-S99 WeakPolarHBondContact OD1-CB 3.48Å; D97-S99 PolarHBondContact OD1-N 3.27Å; D97-S99 PolarHBondContact OD1-OG 3.24Å; D97-S99 PolarHBondContact OD2-OG 3.37Å
100	V	49.1	Very low	65.3	Low	95 Å²	95	56.4 Å²	56.4	58%	0.576	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-12.4	-173.1	-176.1	0	0	0	0	112.7	D97 P98	D97-V100 HydrophobicContact CB-CB 4.27Å; D97-V100 HydrophobicContact CB-CG2 3.92Å; D97-V100 PolarHBondContact O-N 3.01Å; P98-V100 VanDerWaalsContact C-N 3.33Å
101	V	65.8	Low	67.3	Low	48 Å²	48	50.6 Å²	50.6	29%	0.291	33%	0.325	S	S	.	.	S	Bend	trans	-108.8	123.5	-170.8	178.2	0	0	0	0	112.6	I96 V105	I96-V101 HydrophobicContact CG2-CB 4Å; I96-V101 HydrophobicContact CG2-CG1 4.44Å; I96-V101 HydrophobicContact CG2-CG2 3.35Å; V101-V105 HydrophobicContact CG1-CB 3.45Å; V101-V105 VanDerWaalsContact CG1-CB 3.45Å; V101-V105 HydrophobicContact CG1-CG1 3.48Å; V101-V105 VanDerWaalsContact CG1-CG1 3.48Å; V101-V105 HydrophobicContact CG1-CG2 4.33Å
102	G	79.5	Confident	69.4	Low	21 Å²	21	60 Å²	60	22%	0.216	36%	0.36	C	S	.	.			trans	-62.2	150.1	178.9	0	0	0	0	0	113.2	Q104 V105 L106	G102-Q104 VanDerWaalsContact C-N 3.26Å; G102-Q104 PolarHBondContact O-N 3.36Å; G102-Q104 VanDerWaalsContact O-N 3.17Å; G102-V105 PolarHBondContact O-N 3.35Å; G102-L106 PolarHBondContact O-N 3.19Å; G102-L106 VanDerWaalsContact O-N 3.15Å
103	P	87	Confident	71.4	Confident	55 Å²	55	57.6 Å²	57.6	36%	0.357	36%	0.359	S	S	.	.	H	α-helix	trans	-51.7	-38.3	-178.8	-30.1	37.7	0	0	0	114.8	V105 L106 L107 F528	P103-V105 VanDerWaalsContact C-N 3.3Å; P103-V105 PolarHBondContact O-N 3.05Å; P103-L106 PolarHBondContact O-N 2.91Å; P103-L107 WeakPolarHBondContact O-CB 3.37Å; P103-L107 VanDerWaalsContact O-CG 3.28Å; P103-L107 WeakPolarHBondContact O-CG 3.36Å; P103-L107 PolarHBondContact O-N 3.4Å; P103-F528 HydrophobicContact CB-CD1 4.4Å; P103-F528 HydrophobicContact CB-CE1 3.84Å; P103-F528 HydrophobicContact CB-CZ 3.92Å; P103-F528 VanDerWaalsContact CD-CD1 3.43Å; P103-F528 HydrophobicContact CG-CD1 3.64Å; P103-F528 HydrophobicContact CG-CE1 3.47Å; P103-F528 VanDerWaalsContact CG-CE1 3.47Å; P103-F528 HydrophobicContact CG-CG 4.36Å; P103-F528 HydrophobicContact CG-CZ 4.06Å
104	Q	90.3	Very high	73.6	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-38.4	177.8	72.1	-74.8	18.5	0	0	113.4	G102 A108 P418 L419 N445 W447 F528	G102-Q104 VanDerWaalsContact C-N 3.26Å; G102-Q104 PolarHBondContact O-N 3.36Å; G102-Q104 VanDerWaalsContact O-N 3.17Å; Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 3.26Å; Q104-A108 VanDerWaalsContact O-N 3.08Å; Q104-P418 HydrophobicContact CB-CB 4Å; Q104-P418 HydrophobicContact CB-CG 4.45Å; Q104-P418 HydrophobicContact CG-CB 3.98Å; Q104-P418 HydrophobicContact CG-CG 4.4Å; Q104-L419 HydrophobicContact CB-CD2 3.88Å; Q104-L419 HydrophobicContact CB-CG 4.11Å; Q104-N445 PolarHBondContact O-ND2 3.16Å; Q104-N445 VanDerWaalsContact O-ND2 3.08Å; Q104-W447 HydrophobicContact CB-CB 4.09Å; Q104-W447 HydrophobicContact CB-CG 4.22Å; Q104-W447 HydrophobicContact CG-CB 4.03Å; Q104-W447 HydrophobicContact CG-CD2 4.05Å; Q104-W447 HydrophobicContact CG-CG 3.68Å; Q104-F528 HydrophobicContact CB-CE2 4.15Å; Q104-F528 VanDerWaalsContact CD-CD2 3.46Å; Q104-F528 HydrophobicContact CG-CE2 4.41Å
105	V	90.1	Very high	76	Confident	45 Å²	45	54.6 Å²	54.6	27%	0.273	33%	0.328	S	S	.	.	H	α-helix	trans	-75.7	-40.2	178.1	-176.6	0	0	0	0	110.2	V101 G102 P103 L107 A108 H109 W447	V101-V105 HydrophobicContact CG1-CB 3.45Å; V101-V105 VanDerWaalsContact CG1-CB 3.45Å; V101-V105 HydrophobicContact CG1-CG1 3.48Å; V101-V105 VanDerWaalsContact CG1-CG1 3.48Å; V101-V105 HydrophobicContact CG1-CG2 4.33Å; G102-V105 PolarHBondContact O-N 3.35Å; P103-V105 VanDerWaalsContact C-N 3.3Å; P103-V105 PolarHBondContact O-N 3.05Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.29Å; V105-A108 PolarHBondContact O-N 3.07Å; V105-H109 PolarHBondContact O-N 2.98Å; V105-W447 HydrophobicContact CB-CH2 4.39Å; V105-W447 HydrophobicContact CG1-CH2 4.18Å; V105-W447 HydrophobicContact CG2-CH2 4.01Å; V105-W447 HydrophobicContact CG2-CZ2 3.69Å
106	L	89	Confident	78.7	Confident	53 Å²	53	53.1 Å²	53.1	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174	176.1	63	0	0	0	111.3	L87 T91 G102 P103 A108 H109 L110	L87-L106 HydrophobicContact CD2-CD2 4.31Å; T91-L106 HydrophobicContact CG2-CD1 3.99Å; G102-L106 PolarHBondContact O-N 3.19Å; G102-L106 VanDerWaalsContact O-N 3.15Å; P103-L106 PolarHBondContact O-N 2.91Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-H109 PolarHBondContact O-N 2.82Å; L106-L110 HydrophobicContact CG-CD1 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.24Å
107	L	92.2	Very high	81.1	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-39	177.7	-67.6	-178.1	0	0	0	111.7	P103 V105 H109 L110 A111 F118 F120 V129 L419	P103-L107 WeakPolarHBondContact O-CB 3.37Å; P103-L107 VanDerWaalsContact O-CG 3.28Å; P103-L107 WeakPolarHBondContact O-CG 3.36Å; P103-L107 PolarHBondContact O-N 3.4Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.29Å; L107-H109 VanDerWaalsContact C-N 3.32Å; L107-H109 PolarHBondContact O-N 2.9Å; L107-L110 HydrophobicContact CD2-CD1 4.22Å; L107-L110 PolarHBondContact O-N 2.9Å; L107-A111 PolarHBondContact O-N 3.34Å; L107-F118 HydrophobicContact CB-CZ 4.21Å; L107-F118 HydrophobicContact CD2-CE2 4.26Å; L107-F118 HydrophobicContact CD2-CZ 3.91Å; L107-F118 WeakPolarHBondContact O-CE1 3.37Å; L107-F118 WeakPolarHBondContact O-CZ 3.44Å; L107-F120 HydrophobicContact CD2-CD1 4.46Å; L107-F120 HydrophobicContact CD2-CE1 3.78Å; L107-F120 HydrophobicContact CD2-CZ 4.33Å; L107-V129 HydrophobicContact CB-CG1 4.44Å; L107-V129 HydrophobicContact CD1-CG1 4.42Å; L107-V129 HydrophobicContact CD1-CG2 4.27Å; L107-V129 HydrophobicContact CD2-CG2 4.22Å; L107-L419 HydrophobicContact CD1-CD1 3.8Å; L107-L419 HydrophobicContact CD1-CD2 3.91Å
108	A	91.9	Very high	83.6	Confident	8 Å²	8	47.3 Å²	47.3	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-36.5	174.1	0	0	0	0	0	112.4	Q104 V105 L106 A111 R112 N445 W447	Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 3.26Å; Q104-A108 VanDerWaalsContact O-N 3.08Å; V105-A108 PolarHBondContact O-N 3.07Å; L106-A108 VanDerWaalsContact C-N 3.35Å; A108-A111 WeakPolarHBondContact O-CB 3.4Å; A108-A111 PolarHBondContact O-N 3.2Å; A108-R112 PolarHBondContact O-N 3.05Å; A108-N445 PolarHBondContact N-ND2 3.11Å; A108-W447 HydrophobicContact CB-CE3 3.81Å; A108-W447 HydrophobicContact CB-CZ3 3.45Å; A108-W447 VanDerWaalsContact CB-CZ3 3.45Å
109	H	89.1	Confident	86.1	Confident	44 Å²	44	44.4 Å²	44.4	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-41.6	173.3	-175.2	80.7	0	0	0	112	V105 L106 L107 A111 R112	V105-H109 PolarHBondContact O-N 2.98Å; L106-H109 PolarHBondContact O-N 2.82Å; L107-H109 VanDerWaalsContact C-N 3.32Å; L107-H109 PolarHBondContact O-N 2.9Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.76Å; H109-R112 WeakPolarHBondContact O-CB 3.49Å; H109-R112 PolarHBondContact O-N 3.4Å; H109-R112 VanDerWaalsContact O-N 3.11Å
110	L	89.7	Confident	88.4	Confident	22 Å²	22	40.5 Å²	40.5	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-34.7	175	-68.2	173.3	0	0	0	111.8	L106 L107 R112 V113 Y114 F118	L106-L110 HydrophobicContact CG-CD1 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.24Å; L107-L110 HydrophobicContact CD2-CD1 4.22Å; L107-L110 PolarHBondContact O-N 2.9Å; L110-R112 PolarHBondContact O-N 2.73Å; L110-V113 PolarHBondContact O-N 3.45Å; L110-Y114 HydrophobicContact CB-CD2 4.34Å; L110-Y114 HydrophobicContact CD2-CD2 4.41Å; L110-Y114 HydrophobicContact CD2-CE2 3.94Å; L110-Y114 WeakPolarHBondContact O-CD2 3.41Å; L110-Y114 PolarHBondContact O-N 3.12Å; L110-F118 HydrophobicContact CB-CD2 4.38Å; L110-F118 HydrophobicContact CB-CE1 4.21Å; L110-F118 HydrophobicContact CB-CE2 3.73Å; L110-F118 HydrophobicContact CB-CZ 3.62Å; L110-F118 HydrophobicContact CD1-CE2 3.99Å; L110-F118 HydrophobicContact CD1-CZ 4.31Å
111	A	93.8	Very high	90.3	Very high	13 Å²	13	37.9 Å²	37.9	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-33.9	174.3	0	0	0	0	0	112.7	L107 A108 H109 V113 G115 F118 S131	L107-A111 PolarHBondContact O-N 3.34Å; A108-A111 WeakPolarHBondContact O-CB 3.4Å; A108-A111 PolarHBondContact O-N 3.2Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.76Å; A111-V113 PolarHBondContact O-N 2.66Å; A111-G115 WeakPolarHBondContact CA-O 3.39Å; A111-G115 CarbonylContact O-C 3.51Å; A111-G115 VanDerWaalsContact O-CA 3.22Å; A111-G115 WeakPolarHBondContact O-CA 3.29Å; A111-G115 PolarHBondContact O-N 3.43Å; A111-G115 VanDerWaalsContact O-O 3.04Å; A111-F118 HydrophobicContact CB-CD1 4.15Å; A111-F118 HydrophobicContact CB-CE1 3.93Å; A111-S131 WeakPolarHBondContact CB-OG 3.31Å
112	R	91.2	Very high	91.3	Very high	204 Å²	204	36.7 Å²	36.7	77%	0.77	20%	0.2	S	C	*	.	H	α-helix	trans	-67.4	-24.1	174.2	-61.8	-179	-176.7	169.4	1.8	113.1	A108 H109 L110	A108-R112 PolarHBondContact O-N 3.05Å; H109-R112 WeakPolarHBondContact O-CB 3.49Å; H109-R112 PolarHBondContact O-N 3.4Å; H109-R112 VanDerWaalsContact O-N 3.11Å; L110-R112 PolarHBondContact O-N 2.73Å
113	V	91.9	Very high	91.6	Very high	74 Å²	74	36 Å²	36	45%	0.448	19%	0.193	S	C	.	.	H	α-helix	trans	-91.5	-42.6	-178.6	178.8	0	0	0	0	111.8	L110 A111	L110-V113 PolarHBondContact O-N 3.45Å; A111-V113 PolarHBondContact O-N 2.66Å
114	Y	93.4	Very high	91.6	Very high	43 Å²	43	38.2 Å²	38.2	17%	0.169	20%	0.198	C	C	.	.	H	α-helix	trans	-103.9	-8.4	-172	-64.8	-73.1	0	0	0	114	P61 G62 P63 W86 L110 F118	P61-Y114 HydrophobicContact CB-CD1 4.33Å; P61-Y114 WeakPolarHBondContact CG-O 3.5Å; G62-Y114 VanDerWaalsContact C-CE1 3.44Å; P63-Y114 WeakPolarHBondContact CA-OH 3.34Å; P63-Y114 HydrophobicContact CB-CE2 4.46Å; W86-Y114 WeakPolarHBondContact CH2-OH 3.5Å; L110-Y114 HydrophobicContact CB-CD2 4.34Å; L110-Y114 HydrophobicContact CD2-CD2 4.41Å; L110-Y114 HydrophobicContact CD2-CE2 3.94Å; L110-Y114 WeakPolarHBondContact O-CD2 3.41Å; L110-Y114 PolarHBondContact O-N 3.12Å; Y114-F118 HydrophobicContact CG-CB 4.39Å
115	G	95.1	Very high	91.5	Very high	34 Å²	34	39.9 Å²	39.9	35%	0.351	20%	0.204	S	C	.	.			trans	98.7	169.6	-170.9	0	0	0	0	0	112	A111 I117	A111-G115 WeakPolarHBondContact CA-O 3.39Å; A111-G115 CarbonylContact O-C 3.51Å; A111-G115 VanDerWaalsContact O-CA 3.22Å; A111-G115 WeakPolarHBondContact O-CA 3.29Å; A111-G115 PolarHBondContact O-N 3.43Å; A111-G115 VanDerWaalsContact O-O 3.04Å; G115-I117 VanDerWaalsContact C-N 3.25Å; G115-I117 PolarHBondContact O-N 2.72Å
116	S	95	Very high	91.7	Very high	44 Å²	44	38.6 Å²	38.6	31%	0.308	20%	0.196	S	C	.	.	S	Bend	trans	-69.1	-23.2	-171	68.7	0	0	0	0	114	S131 D132	S116-S131 WeakPolarHBondContact O-CB 3.33Å; S116-S131 PolarHBondContact O-N 3.15Å; S116-S131 PolarHBondContact O-OG 3.43Å; S116-D132 WeakPolarHBondContact CB-OD2 3.39Å; S116-D132 PolarHBondContact OG-OD2 3.27Å
117	I	97.8	Very high	92	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.8	167	-54.3	176	0	0	0	108.1	P60 G115 V128 V129 L130 L431 Q432 Y434	P60-I117 HydrophobicContact CB-CG2 3.9Å; P60-I117 HydrophobicContact CG-CG2 3.7Å; G115-I117 VanDerWaalsContact C-N 3.25Å; G115-I117 PolarHBondContact O-N 2.72Å; I117-V128 HydrophobicContact CG2-CG1 3.71Å; I117-V129 WeakPolarHBondContact CA-O 3.46Å; I117-L130 HydrophobicContact CD1-CD2 4.5Å; I117-L130 HydrophobicContact CG1-CD2 4.11Å; I117-L130 HydrophobicContact CG2-CD2 4.08Å; I117-L431 HydrophobicContact CD1-CD2 3.91Å; I117-L431 HydrophobicContact CD1-CG 3.96Å; I117-Q432 HydrophobicContact CD1-CB 3.85Å; I117-Q432 VanDerWaalsContact CD1-CD 3.48Å; I117-Q432 HydrophobicContact CD1-CG 3.84Å; I117-Y434 HydrophobicContact CB-CD2 4.27Å; I117-Y434 HydrophobicContact CB-CE2 4.25Å; I117-Y434 HydrophobicContact CG2-CD2 4.16Å
118	F	96.8	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.3	177	74.4	-87.1	0	0	0	110.8	P61 L107 L110 A111 Y114 F120 V128 V129	P61-F118 CarbonylContact O-C 3.37Å; P61-F118 VanDerWaalsContact O-CA 3.23Å; P61-F118 WeakPolarHBondContact O-CA 3.38Å; P61-F118 VanDerWaalsContact O-CB 3.28Å; P61-F118 WeakPolarHBondContact O-CB 3.45Å; L107-F118 HydrophobicContact CB-CZ 4.21Å; L107-F118 HydrophobicContact CD2-CE2 4.26Å; L107-F118 HydrophobicContact CD2-CZ 3.91Å; L107-F118 WeakPolarHBondContact O-CE1 3.37Å; L107-F118 WeakPolarHBondContact O-CZ 3.44Å; L110-F118 HydrophobicContact CB-CD2 4.38Å; L110-F118 HydrophobicContact CB-CE1 4.21Å; L110-F118 HydrophobicContact CB-CE2 3.73Å; L110-F118 HydrophobicContact CB-CZ 3.62Å; L110-F118 HydrophobicContact CD1-CE2 3.99Å; L110-F118 HydrophobicContact CD1-CZ 4.31Å; A111-F118 HydrophobicContact CB-CD1 4.15Å; A111-F118 HydrophobicContact CB-CE1 3.93Å; Y114-F118 HydrophobicContact CG-CB 4.39Å; F118-F120 HydrophobicContact CE2-CD1 4.1Å; F118-V128 CarbonylContact O-C 3.57Å; F118-V128 WeakPolarHBondContact O-CA 3.49Å; F118-V129 HydrophobicContact CD1-CB 4.02Å; F118-V129 HydrophobicContact CD1-CG1 4.49Å; F118-V129 HydrophobicContact CE1-CB 3.56Å; F118-V129 HydrophobicContact CE1-CG1 3.69Å; F118-V129 HydrophobicContact CE1-CG2 4.11Å; F118-V129 HydrophobicContact CE2-CB 4.22Å; F118-V129 HydrophobicContact CE2-CG2 3.92Å; F118-V129 HydrophobicContact CZ-CB 3.67Å; F118-V129 HydrophobicContact CZ-CG1 3.92Å; F118-V129 HydrophobicContact CZ-CG2 3.67Å; F118-V129 PolarHBondContact N-O 2.94Å; F118-V129 PolarHBondContact O-N 3.41Å
119	S	95.3	Very high	92.6	Very high	5 Å²	5	35 Å²	35	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158	-177.7	75.6	0	0	0	0	113.5	P60 P61 G62 P63 V127	P60-S119 PolarHBondContact O-OG 3.47Å; P61-S119 PolarHBondContact O-N 3.08Å; G62-S119 WeakPolarHBondContact CA-O 3.42Å; P63-S119 WeakPolarHBondContact CD-O 3.19Å; S119-V127 CarbonylContact C-O 3.55Å; S119-V127 WeakPolarHBondContact CA-O 3.23Å; S119-V127 VanDerWaalsContact CB-O 3.3Å; S119-V127 WeakPolarHBondContact CB-O 3.47Å
120	F	92.7	Very high	93.1	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.088	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	172.3	166.3	65.3	-89.8	0	0	0	109.2	P63 N71 F72 L107 F118 I122 V127 V129 L443	P63-F120 HydrophobicContact CG-CB 4.18Å; N71-F120 HydrophobicContact CB-CB 4.25Å; F72-F120 HydrophobicContact CE2-CE2 4.22Å; L107-F120 HydrophobicContact CD2-CD1 4.46Å; L107-F120 HydrophobicContact CD2-CE1 3.78Å; L107-F120 HydrophobicContact CD2-CZ 4.33Å; F118-F120 HydrophobicContact CE2-CD1 4.1Å; F120-I122 HydrophobicContact CD2-CG1 4.19Å; F120-I122 HydrophobicContact CE2-CD1 3.92Å; F120-I122 HydrophobicContact CE2-CG1 3.69Å; F120-V127 HydrophobicContact CD1-CB 4.29Å; F120-V127 HydrophobicContact CD1-CG1 4.35Å; F120-V127 HydrophobicContact CD2-CB 4.2Å; F120-V127 HydrophobicContact CD2-CG2 4.41Å; F120-V127 HydrophobicContact CE1-CB 4.04Å; F120-V127 HydrophobicContact CE1-CG1 3.68Å; F120-V127 HydrophobicContact CE2-CB 3.94Å; F120-V127 HydrophobicContact CE2-CG1 4.14Å; F120-V127 HydrophobicContact CE2-CG2 3.98Å; F120-V127 HydrophobicContact CG-CB 4.37Å; F120-V127 HydrophobicContact CZ-CB 3.86Å; F120-V127 HydrophobicContact CZ-CG1 3.56Å; F120-V127 HydrophobicContact CZ-CG2 4.23Å; F120-V127 PolarHBondContact N-O 3.36Å; F120-V127 WeakPolarHBondContact O-CA 3.3Å; F120-V127 WeakPolarHBondContact O-CB 3.15Å; F120-V127 PolarHBondContact O-N 3.29Å; F120-V127 VanDerWaalsContact O-O 3.13Å; F120-V129 HydrophobicContact CD1-CG2 4.07Å; F120-V129 HydrophobicContact CE1-CG2 3.5Å; F120-L443 HydrophobicContact CZ-CD1 4.25Å
121	F	89.3	Confident	93.4	Very high	40 Å²	40	32 Å²	32	18%	0.175	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.6	-177.7	-68.8	-95.5	0	0	0	111.8	I59 P65 N71 Y125 L126	I59-F121 HydrophobicContact CD1-CE2 4.37Å; I59-F121 HydrophobicContact CD1-CZ 4.14Å; P65-F121 HydrophobicContact CB-CB 4.13Å; P65-F121 HydrophobicContact CB-CD2 3.92Å; P65-F121 HydrophobicContact CB-CG 4.28Å; P65-F121 HydrophobicContact CG-CD2 3.79Å; P65-F121 HydrophobicContact CG-CE2 4.2Å; P65-F121 HydrophobicContact CG-CG 4.47Å; N71-F121 PolarHBondContact N-O 3.28Å; N71-F121 PolarHBondContact OD1-N 2.91Å; F121-Y125 VanDerWaalsContact CA-O 3.32Å; F121-Y125 WeakPolarHBondContact CA-O 3.3Å; F121-L126 HydrophobicContact CD1-CB 4.42Å; F121-L126 HydrophobicContact CD1-CD1 4.44Å; F121-L126 HydrophobicContact CE1-CB 4Å; F121-L126 HydrophobicContact CE1-CD1 3.85Å; F121-L126 HydrophobicContact CE2-CD1 3.94Å; F121-L126 HydrophobicContact CZ-CD1 3.59Å
122	I	87.1	Confident	93.6	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	104.6	165.5	-53	-172.8	0	0	0	107.3	F72 F120 H124 Y125 V127 I272	F72-I122 HydrophobicContact CD2-CB 4.25Å; F72-I122 HydrophobicContact CD2-CD1 4.34Å; F72-I122 HydrophobicContact CD2-CG1 3.77Å; F72-I122 HydrophobicContact CD2-CG2 4.07Å; F72-I122 HydrophobicContact CE2-CB 4.33Å; F72-I122 HydrophobicContact CE2-CD1 3.57Å; F72-I122 HydrophobicContact CE2-CG1 3.45Å; F72-I122 VanDerWaalsContact CE2-CG1 3.45Å; F72-I122 HydrophobicContact CE2-CG2 4.22Å; F72-I122 HydrophobicContact CG-CG2 4.48Å; F72-I122 HydrophobicContact CZ-CD1 4Å; F72-I122 HydrophobicContact CZ-CG1 4.34Å; F120-I122 HydrophobicContact CD2-CG1 4.19Å; F120-I122 HydrophobicContact CE2-CD1 3.92Å; F120-I122 HydrophobicContact CE2-CG1 3.69Å; I122-H124 PolarHBondContact O-N 2.98Å; I122-Y125 PolarHBondContact N-O 3.32Å; I122-Y125 PolarHBondContact O-N 3.33Å; I122-V127 HydrophobicContact CD1-CG2 3.94Å; I122-V127 HydrophobicContact CG1-CG2 3.78Å; I122-I272 HydrophobicContact CG2-CD1 4.43Å; I122-I272 HydrophobicContact CG2-CG1 4.45Å
123	G	85.9	Confident	93.9	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-113.4	-167.9	0	0	0	0	0	110.7	L68 V69	L68-G123 CarbonylContact O-C 3.38Å; L68-G123 VanDerWaalsContact O-CA 3.24Å; L68-G123 WeakPolarHBondContact O-CA 3.28Å; V69-G123 PolarHBondContact O-N 3.15Å
124	H	85.3	Confident	94.2	Very high	102 Å²	102	25.3 Å²	25.3	47%	0.472	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-6.3	176.5	69.7	-85	0	0	0	114.6	I122	I122-H124 PolarHBondContact O-N 2.98Å
125	Y	89.9	Confident	94.4	Very high	37 Å²	37	23.3 Å²	23.3	15%	0.145	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.3	-179.9	-64.2	-80.4	0	0	0	110.1	F121 I122 R152 V153 L441	F121-Y125 VanDerWaalsContact CA-O 3.32Å; F121-Y125 WeakPolarHBondContact CA-O 3.3Å; I122-Y125 PolarHBondContact N-O 3.32Å; I122-Y125 PolarHBondContact O-N 3.33Å; Y125-R152 PolarHBondContact OH-O 2.91Å; Y125-V153 HydrophobicContact CD1-CG1 4.22Å; Y125-V153 HydrophobicContact CD2-CG1 4.46Å; Y125-V153 HydrophobicContact CE1-CG1 3.91Å; Y125-V153 HydrophobicContact CE2-CG1 4.17Å; Y125-V153 HydrophobicContact CG-CG1 4.48Å; Y125-L441 HydrophobicContact CG-CD1 4.24Å
126	L	93.4	Very high	94.5	Very high	18 Å²	18	21.7 Å²	21.7	9%	0.094	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.1	167.6	178.2	63.6	0	0	0	108.6	I59 F121 V128 P437 T440 L441	I59-L126 HydrophobicContact CD1-CD1 4.01Å; I59-L126 HydrophobicContact CG2-CD2 4.1Å; F121-L126 HydrophobicContact CD1-CB 4.42Å; F121-L126 HydrophobicContact CD1-CD1 4.44Å; F121-L126 HydrophobicContact CE1-CB 4Å; F121-L126 HydrophobicContact CE1-CD1 3.85Å; F121-L126 HydrophobicContact CE2-CD1 3.94Å; F121-L126 HydrophobicContact CZ-CD1 3.59Å; L126-V128 HydrophobicContact CG-CG2 4.39Å; L126-P437 HydrophobicContact CD2-CG 4.4Å; L126-T440 HydrophobicContact CB-CG2 4.28Å; L126-T440 HydrophobicContact CD2-CG2 3.92Å; L126-T440 HydrophobicContact CG-CG2 3.84Å; L126-L441 PolarHBondContact O-N 3Å
127	V	95.6	Very high	94.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.9	172.8	-175.1	0	0	0	0	108.4	S119 F120 I122 L441 L443	S119-V127 CarbonylContact C-O 3.55Å; S119-V127 WeakPolarHBondContact CA-O 3.23Å; S119-V127 VanDerWaalsContact CB-O 3.3Å; S119-V127 WeakPolarHBondContact CB-O 3.47Å; F120-V127 HydrophobicContact CD1-CB 4.29Å; F120-V127 HydrophobicContact CD1-CG1 4.35Å; F120-V127 HydrophobicContact CD2-CB 4.2Å; F120-V127 HydrophobicContact CD2-CG2 4.41Å; F120-V127 HydrophobicContact CE1-CB 4.04Å; F120-V127 HydrophobicContact CE1-CG1 3.68Å; F120-V127 HydrophobicContact CE2-CB 3.94Å; F120-V127 HydrophobicContact CE2-CG1 4.14Å; F120-V127 HydrophobicContact CE2-CG2 3.98Å; F120-V127 HydrophobicContact CG-CB 4.37Å; F120-V127 HydrophobicContact CZ-CB 3.86Å; F120-V127 HydrophobicContact CZ-CG1 3.56Å; F120-V127 HydrophobicContact CZ-CG2 4.23Å; F120-V127 PolarHBondContact N-O 3.36Å; F120-V127 WeakPolarHBondContact O-CA 3.3Å; F120-V127 WeakPolarHBondContact O-CB 3.15Å; F120-V127 PolarHBondContact O-N 3.29Å; F120-V127 VanDerWaalsContact O-O 3.13Å; I122-V127 HydrophobicContact CD1-CG2 3.94Å; I122-V127 HydrophobicContact CG1-CG2 3.78Å; V127-L441 CarbonylContact C-O 3.43Å; V127-L441 WeakPolarHBondContact CA-O 3.47Å; V127-L441 HydrophobicContact CB-CB 4.39Å; V127-L441 HydrophobicContact CG1-CB 4.39Å; V127-L441 HydrophobicContact CG2-CB 4Å; V127-L441 HydrophobicContact CG2-CD1 3.82Å; V127-L441 HydrophobicContact CG2-CG 4.5Å; V127-L443 HydrophobicContact CG1-CB 4.49Å; V127-L443 HydrophobicContact CG1-CD1 3.52Å; V127-L443 HydrophobicContact CG1-CG 3.73Å
128	V	98.1	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.8	172	173	0	0	0	0	108.4	P60 I117 F118 L126 L130 I436 T440 L441 I442 L443	P60-V128 HydrophobicContact CG-CG1 4.05Å; P60-V128 HydrophobicContact CG-CG2 4.02Å; I117-V128 HydrophobicContact CG2-CG1 3.71Å; F118-V128 CarbonylContact O-C 3.57Å; F118-V128 WeakPolarHBondContact O-CA 3.49Å; L126-V128 HydrophobicContact CG-CG2 4.39Å; V128-L130 HydrophobicContact CG1-CD2 4.04Å; V128-I436 HydrophobicContact CG1-CD1 4.38Å; V128-I436 HydrophobicContact CG2-CD1 4.21Å; V128-T440 HydrophobicContact CB-CG2 4.19Å; V128-T440 HydrophobicContact CG2-CG2 3.61Å; V128-L441 PolarHBondContact N-O 2.94Å; V128-I442 HydrophobicContact CB-CD1 3.85Å; V128-I442 HydrophobicContact CG1-CD1 4.39Å; V128-I442 CarbonylContact O-C 3.54Å; V128-I442 WeakPolarHBondContact O-CA 3.49Å; V128-L443 PolarHBondContact O-N 2.83Å
129	V	98.4	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.5	178.8	-174.9	0	0	0	0	108.9	L107 I117 F118 F120 L443 N445	L107-V129 HydrophobicContact CB-CG1 4.44Å; L107-V129 HydrophobicContact CD1-CG1 4.42Å; L107-V129 HydrophobicContact CD1-CG2 4.27Å; L107-V129 HydrophobicContact CD2-CG2 4.22Å; I117-V129 WeakPolarHBondContact CA-O 3.46Å; F118-V129 HydrophobicContact CD1-CB 4.02Å; F118-V129 HydrophobicContact CD1-CG1 4.49Å; F118-V129 HydrophobicContact CE1-CB 3.56Å; F118-V129 HydrophobicContact CE1-CG1 3.69Å; F118-V129 HydrophobicContact CE1-CG2 4.11Å; F118-V129 HydrophobicContact CE2-CB 4.22Å; F118-V129 HydrophobicContact CE2-CG2 3.92Å; F118-V129 HydrophobicContact CZ-CB 3.67Å; F118-V129 HydrophobicContact CZ-CG1 3.92Å; F118-V129 HydrophobicContact CZ-CG2 3.67Å; F118-V129 PolarHBondContact N-O 2.94Å; F118-V129 PolarHBondContact O-N 3.41Å; F120-V129 HydrophobicContact CD1-CG2 4.07Å; F120-V129 HydrophobicContact CE1-CG2 3.5Å; V129-L443 WeakPolarHBondContact CA-O 3.43Å; V129-L443 HydrophobicContact CG2-CB 4.36Å; V129-N445 HydrophobicContact CG1-CB 4.12Å
130	L	98.5	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.5	175.6	-49.3	-179	0	0	0	108	I117 V128 V136 A139 L431 I442 L443 N445	I117-L130 HydrophobicContact CD1-CD2 4.5Å; I117-L130 HydrophobicContact CG1-CD2 4.11Å; I117-L130 HydrophobicContact CG2-CD2 4.08Å; V128-L130 HydrophobicContact CG1-CD2 4.04Å; L130-V136 HydrophobicContact CB-CG2 3.7Å; L130-A139 HydrophobicContact CD1-CB 3.55Å; L130-L431 HydrophobicContact CD1-CD2 4.47Å; L130-L431 HydrophobicContact CD2-CD2 3.55Å; L130-I442 HydrophobicContact CD1-CG2 3.67Å; L130-I442 HydrophobicContact CG-CG2 4Å; L130-L443 PolarHBondContact N-O 3.13Å; L130-N445 PolarHBondContact O-N 2.96Å
131	S	97.6	Very high	95.2	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.028	13%	0.13	C	C	.	.			trans	-112.5	-1.5	-167.6	-50.1	0	0	0	0	114.7	A111 S116 S448	A111-S131 WeakPolarHBondContact CB-OG 3.31Å; S116-S131 WeakPolarHBondContact O-CB 3.33Å; S116-S131 PolarHBondContact O-N 3.15Å; S116-S131 PolarHBondContact O-OG 3.43Å; S131-S448 WeakPolarHBondContact O-CB 3.35Å; S131-S448 PolarHBondContact O-OG 2.92Å
132	D	97	Very high	95.6	Very high	22 Å²	22	30.7 Å²	30.7	12%	0.118	15%	0.147	C	C	.	.	S	Bend	trans	-125.6	159.8	177.4	73.3	83.7	0	0	0	110.9	S116 H134 S135 V136	S116-D132 WeakPolarHBondContact CB-OD2 3.39Å; S116-D132 PolarHBondContact OG-OD2 3.27Å; D132-H134 VanDerWaalsContact C-N 3.35Å; D132-H134 PolarHBondContact O-N 3Å; D132-H134 WeakPolarHBondContact OD1-CA 2.9Å; D132-H134 VanDerWaalsContact OD1-CB 3.27Å; D132-H134 WeakPolarHBondContact OD1-CB 3.33Å; D132-H134 PolarHBondContact OD1-N 3.4Å; D132-S135 PolarHBondContact O-OG 2.9Å; D132-S135 VanDerWaalsContact O-OG 3.1Å; D132-S135 PolarHBondContact OD1-N 3.34Å; D132-S135 PolarHBondContact OD1-OG 3.3Å; D132-S135 VanDerWaalsContact OD2-CB 3.29Å; D132-S135 WeakPolarHBondContact OD2-CB 3.38Å; D132-S135 PolarHBondContact OD2-OG 2.93Å; D132-V136 VanDerWaalsContact O-CG2 3.28Å; D132-V136 WeakPolarHBondContact O-CG2 3.47Å; D132-V136 PolarHBondContact O-N 3.43Å
133	F	98.1	Very high	96.2	Very high	24 Å²	24	31.6 Å²	31.6	11%	0.105	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-37.5	-177	178.9	-109.9	0	0	0	113.2	V136 R137 V449 I455 E478 T479 I481	F133-V136 PolarHBondContact O-N 3.47Å; F133-R137 HydrophobicContact CE1-CB 4.46Å; F133-R137 HydrophobicContact CZ-CB 4.4Å; F133-R137 VanDerWaalsContact O-CB 3.27Å; F133-R137 WeakPolarHBondContact O-CB 3.21Å; F133-R137 PolarHBondContact O-N 3Å; F133-V449 HydrophobicContact CB-CG1 3.94Å; F133-V449 HydrophobicContact CD2-CG1 4.14Å; F133-I455 HydrophobicContact CB-CD1 3.91Å; F133-E478 VanDerWaalsContact CE2-O 3.32Å; F133-E478 WeakPolarHBondContact CE2-O 3.39Å; F133-E478 HydrophobicContact CZ-CB 4.33Å; F133-E478 HydrophobicContact CZ-CG 3.91Å; F133-E478 WeakPolarHBondContact CZ-O 3.43Å; F133-T479 HydrophobicContact CB-CG2 4.3Å; F133-T479 HydrophobicContact CD1-CG2 3.68Å; F133-T479 HydrophobicContact CD2-CG2 4.19Å; F133-T479 HydrophobicContact CE1-CG2 3.97Å; F133-T479 HydrophobicContact CE2-CG2 4.47Å; F133-T479 HydrophobicContact CG-CG2 3.79Å; F133-T479 HydrophobicContact CZ-CG2 4.37Å; F133-I481 HydrophobicContact CD2-CD1 4.08Å; F133-I481 HydrophobicContact CE2-CD1 4.27Å; F133-I481 HydrophobicContact CE2-CG2 4.01Å
134	H	97.5	Very high	96.7	Very high	104 Å²	104	31.8 Å²	31.8	48%	0.481	15%	0.151	S	C	.	.	H	α-helix	trans	-65.2	-46.9	-175.9	-179.9	-88.1	0	0	0	111	D132 R137 E138 Q432	D132-H134 VanDerWaalsContact C-N 3.35Å; D132-H134 PolarHBondContact O-N 3Å; D132-H134 WeakPolarHBondContact OD1-CA 2.9Å; D132-H134 VanDerWaalsContact OD1-CB 3.27Å; D132-H134 WeakPolarHBondContact OD1-CB 3.33Å; D132-H134 PolarHBondContact OD1-N 3.4Å; H134-R137 PolarHBondContact O-N 2.65Å; H134-E138 IonicContact CE1-OE2 2.73Å; H134-E138 IonicContact ND1-OE2 3.55Å; H134-E138 WeakPolarHBondContact O-CB 3.16Å; H134-E138 PolarHBondContact O-N 2.99Å; H134-Q432 PolarHBondContact ND1-NE2 3.32Å
135	S	97.8	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-40.1	176.5	60.2	0	0	0	0	112.6	D132 A139 Q432	D132-S135 PolarHBondContact O-OG 2.9Å; D132-S135 VanDerWaalsContact O-OG 3.1Å; D132-S135 PolarHBondContact OD1-N 3.34Å; D132-S135 PolarHBondContact OD1-OG 3.3Å; D132-S135 VanDerWaalsContact OD2-CB 3.29Å; D132-S135 WeakPolarHBondContact OD2-CB 3.38Å; D132-S135 PolarHBondContact OD2-OG 2.93Å; S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.15Å; S135-A139 PolarHBondContact O-N 3.1Å; S135-Q432 VanDerWaalsContact CA-NE2 3.29Å
136	V	98.3	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-44	175.3	174.7	0	0	0	0	111.4	L130 D132 F133 L140 P444 V449 I481 I485	L130-V136 HydrophobicContact CB-CG2 3.7Å; D132-V136 VanDerWaalsContact O-CG2 3.28Å; D132-V136 WeakPolarHBondContact O-CG2 3.47Å; D132-V136 PolarHBondContact O-N 3.43Å; F133-V136 PolarHBondContact O-N 3.47Å; V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 2.91Å; V136-P444 HydrophobicContact CG1-CB 4.38Å; V136-P444 HydrophobicContact CG2-CB 4.15Å; V136-V449 HydrophobicContact CG2-CG2 4.19Å; V136-I481 HydrophobicContact CG1-CD1 4.05Å; V136-I485 HydrophobicContact CG1-CD1 3.98Å; V136-I485 HydrophobicContact CG1-CG1 4.31Å
137	R	98.4	Very high	97.8	Very high	84 Å²	84	30.7 Å²	30.7	32%	0.317	15%	0.149	S	C	.	.	H	α-helix	trans	-66.9	-45.7	178.7	-174.9	-179.7	-173.9	-111.7	10.7	112.5	F133 H134 A139 V141 Q142 E478 I485	F133-R137 HydrophobicContact CE1-CB 4.46Å; F133-R137 HydrophobicContact CZ-CB 4.4Å; F133-R137 VanDerWaalsContact O-CB 3.27Å; F133-R137 WeakPolarHBondContact O-CB 3.21Å; F133-R137 PolarHBondContact O-N 3Å; H134-R137 PolarHBondContact O-N 2.65Å; R137-A139 PolarHBondContact O-N 3.37Å; R137-V141 HydrophobicContact CG-CB 4.47Å; R137-V141 HydrophobicContact CG-CG2 4.48Å; R137-V141 WeakPolarHBondContact O-CA 3.35Å; R137-V141 VanDerWaalsContact O-CB 3.26Å; R137-V141 WeakPolarHBondContact O-CB 3.27Å; R137-V141 PolarHBondContact O-N 2.92Å; R137-Q142 PolarHBondContact O-N 3.48Å; R137-E478 IonicContact CZ-OE1 2.67Å; R137-E478 VanDerWaalsContact CZ-OE1 3.31Å; R137-E478 IonicContact NE-OE1 3.76Å; R137-E478 PolarHBondContact NE-OE1 3.17Å; R137-E478 IonicContact NH2-OE1 3.19Å; R137-E478 PolarHBondContact NH2-OE1 2.82Å; R137-E478 IonicContact NH2-OE2 3.66Å; R137-I485 HydrophobicContact CB-CD1 4.29Å
138	E	98.4	Very high	97.9	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.136	15%	0.15	C	C	.	.	I	π-helix	trans	-58.6	-49	176.6	-176.5	-178.7	160.3	0	0	110.7	H134 Q142 Q143 L431 Q432	H134-E138 IonicContact CE1-OE2 2.73Å; H134-E138 IonicContact ND1-OE2 3.55Å; H134-E138 WeakPolarHBondContact O-CB 3.16Å; H134-E138 PolarHBondContact O-N 2.99Å; E138-Q142 WeakPolarHBondContact O-CB 3.46Å; E138-Q142 PolarHBondContact O-N 3.18Å; E138-Q143 PolarHBondContact O-N 3.42Å; E138-L431 HydrophobicContact CB-CD1 4.03Å; E138-L431 HydrophobicContact CG-CD1 3.67Å; E138-Q432 PolarHBondContact OE1-N 3.12Å; E138-Q432 WeakPolarHBondContact OE2-CG 3.47Å; E138-Q432 PolarHBondContact OE2-NE2 2.92Å
139	A	98.4	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-65.1	-55.5	179.6	0	0	0	0	0	112.6	L130 S135 R137 Q143 F147 L431	L130-A139 HydrophobicContact CD1-CB 3.55Å; S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.15Å; S135-A139 PolarHBondContact O-N 3.1Å; R137-A139 PolarHBondContact O-N 3.37Å; A139-Q143 CarbonylContact O-C 3.55Å; A139-F147 HydrophobicContact CB-CD1 3.73Å; A139-F147 HydrophobicContact CB-CD2 4.2Å; A139-F147 HydrophobicContact CB-CE1 3.86Å; A139-F147 HydrophobicContact CB-CE2 4.29Å; A139-F147 HydrophobicContact CB-CG 3.92Å; A139-F147 HydrophobicContact CB-CZ 4.15Å; A139-F147 VanDerWaalsContact O-CB 3.29Å; A139-F147 WeakPolarHBondContact O-CB 3.47Å; A139-F147 WeakPolarHBondContact O-CD2 3.44Å; A139-F147 WeakPolarHBondContact O-CG 3.47Å; A139-L431 HydrophobicContact CB-CD1 4.1Å; A139-L431 HydrophobicContact CB-CD2 4.31Å
140	L	98.3	Very high	97.9	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.157	C	C	.	.	I	π-helix	trans	-85.8	-20.9	-166.7	-58.3	-172.2	0	0	0	114.2	V136 A144 F147 P444 I485 G486	V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 2.91Å; L140-A144 VanDerWaalsContact O-CB 3.27Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-F147 HydrophobicContact CD2-CB 4.22Å; L140-P444 HydrophobicContact CD1-CB 4.47Å; L140-P444 HydrophobicContact CD1-CG 3.95Å; L140-I485 HydrophobicContact CB-CG1 4.08Å; L140-I485 HydrophobicContact CD1-CG1 4.18Å; L140-G486 WeakPolarHBondContact O-CA 3.29Å
141	V	98.1	Very high	97.7	Very high	70 Å²	70	32.3 Å²	32.3	42%	0.424	16%	0.157	S	C	.	.	I	π-helix	trans	-111	-57.7	-178.8	-176	0	0	0	0	110.8	R137 A144 I485	R137-V141 HydrophobicContact CG-CB 4.47Å; R137-V141 HydrophobicContact CG-CG2 4.48Å; R137-V141 WeakPolarHBondContact O-CA 3.35Å; R137-V141 VanDerWaalsContact O-CB 3.26Å; R137-V141 WeakPolarHBondContact O-CB 3.27Å; R137-V141 PolarHBondContact O-N 2.92Å; V141-A144 WeakPolarHBondContact O-CB 3.44Å; V141-I485 HydrophobicContact CG2-CB 4.14Å; V141-I485 HydrophobicContact CG2-CD1 3.75Å; V141-I485 HydrophobicContact CG2-CG1 4Å
142	Q	98.2	Very high	97.5	Very high	113 Å²	113	39.1 Å²	39.1	53%	0.528	18%	0.182	S	C	.	.	I	π-helix	trans	-72.3	-37.1	-173.7	-58.3	174.4	-12.1	0	0	111.7	R137 E138	R137-Q142 PolarHBondContact O-N 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.46Å; E138-Q142 PolarHBondContact O-N 3.18Å
143	Q	97.9	Very high	97.2	Very high	42 Å²	42	38.4 Å²	38.4	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	30.1	177.5	-57.8	-166.9	37.4	0	0	112.8	E138 A139 E145 V146 F147 T429 V430	E138-Q143 PolarHBondContact O-N 3.42Å; A139-Q143 CarbonylContact O-C 3.55Å; Q143-E145 VanDerWaalsContact C-N 3.28Å; Q143-E145 PolarHBondContact O-N 2.65Å; Q143-V146 PolarHBondContact O-N 2.79Å; Q143-F147 HydrophobicContact CB-CD2 3.66Å; Q143-F147 HydrophobicContact CB-CE2 3.82Å; Q143-F147 PolarHBondContact O-N 3.34Å; Q143-T429 PolarHBondContact OE1-OG1 2.96Å; Q143-V430 PolarHBondContact NE2-O 3.29Å
144	A	96.9	Very high	97	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-56.7	-32.7	-167.2	0	0	0	0	0	115.1	L140 V141 V146 S148 K487	L140-A144 VanDerWaalsContact O-CB 3.27Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; V141-A144 WeakPolarHBondContact O-CB 3.44Å; A144-V146 VanDerWaalsContact C-N 3.26Å; A144-V146 PolarHBondContact O-N 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.45Å; A144-S148 PolarHBondContact O-N 3.15Å; A144-S148 PolarHBondContact O-OG 2.74Å; A144-K487 HydrophobicContact CB-CD 4.1Å; A144-K487 HydrophobicContact CB-CG 3.95Å
145	E	96.1	Very high	96.8	Very high	101 Å²	101	34.1 Å²	34.1	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-34.1	177.9	-60.7	-66.2	176.1	0	0	112.6	Q143 Y170 R175 S426 K487	Q143-E145 VanDerWaalsContact C-N 3.28Å; Q143-E145 PolarHBondContact O-N 2.65Å; E145-Y170 WeakPolarHBondContact OE2-CE1 3.24Å; E145-Y170 PolarHBondContact OE2-OH 3.44Å; E145-Y170 VanDerWaalsContact OE2-OH 3.08Å; E145-R175 IonicContact OE1-NH2 3.37Å; E145-R175 IonicContact OE2-NH2 3.08Å; E145-R175 PolarHBondContact OE2-NH2 3Å; E145-S426 PolarHBondContact O-OG 3.46Å; E145-K487 IonicContact OE1-NZ 3.7Å; E145-K487 PolarHBondContact OE1-NZ 3.28Å; E145-K487 IonicContact OE2-NZ 3.35Å; E145-K487 PolarHBondContact OE2-NZ 3.43Å
146	V	97.8	Very high	96.6	Very high	34 Å²	34	35.2 Å²	35.2	21%	0.206	17%	0.168	C	C	.	.	H	α-helix	trans	-82.7	-39.7	-178.6	-178.8	0	0	0	0	110.9	Q143 A144 T425 S426 T429	Q143-V146 PolarHBondContact O-N 2.79Å; A144-V146 VanDerWaalsContact C-N 3.26Å; A144-V146 PolarHBondContact O-N 3.29Å; V146-T425 HydrophobicContact CG1-CG2 4.35Å; V146-T425 CarbonylContact O-C 3.28Å; V146-T425 VanDerWaalsContact O-CA 3.29Å; V146-T425 WeakPolarHBondContact O-CA 3.41Å; V146-S426 WeakPolarHBondContact CA-OG 3.27Å; V146-S426 PolarHBondContact O-N 2.65Å; V146-S426 PolarHBondContact O-OG 2.89Å; V146-T429 HydrophobicContact CG1-CG2 3.94Å
147	F	98.3	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-94.3	-1.8	-172.1	-73.2	-95.6	0	0	0	114.9	A139 L140 Q143 H423 T425 T429 L431 I442	A139-F147 HydrophobicContact CB-CD1 3.73Å; A139-F147 HydrophobicContact CB-CD2 4.2Å; A139-F147 HydrophobicContact CB-CE1 3.86Å; A139-F147 HydrophobicContact CB-CE2 4.29Å; A139-F147 HydrophobicContact CB-CG 3.92Å; A139-F147 HydrophobicContact CB-CZ 4.15Å; A139-F147 VanDerWaalsContact O-CB 3.29Å; A139-F147 WeakPolarHBondContact O-CB 3.47Å; A139-F147 WeakPolarHBondContact O-CD2 3.44Å; A139-F147 WeakPolarHBondContact O-CG 3.47Å; L140-F147 HydrophobicContact CD2-CB 4.22Å; Q143-F147 HydrophobicContact CB-CD2 3.66Å; Q143-F147 HydrophobicContact CB-CE2 3.82Å; Q143-F147 PolarHBondContact O-N 3.34Å; F147-H423 WeakPolarHBondContact O-CB 3.09Å; F147-H423 PolarHBondContact O-ND1 3.33Å; F147-T425 HydrophobicContact CD1-CG2 3.98Å; F147-T425 HydrophobicContact CE1-CG2 3.79Å; F147-T425 HydrophobicContact CZ-CG2 4.19Å; F147-T429 HydrophobicContact CE2-CG2 3.59Å; F147-T429 HydrophobicContact CZ-CG2 3.67Å; F147-L431 HydrophobicContact CE1-CD2 4.42Å; F147-L431 HydrophobicContact CZ-CB 4.41Å; F147-L431 HydrophobicContact CZ-CD1 4.39Å; F147-L431 HydrophobicContact CZ-CD2 4.25Å; F147-I442 HydrophobicContact CD1-CB 4.44Å; F147-I442 HydrophobicContact CD1-CD1 4.29Å; F147-I442 HydrophobicContact CD1-CG1 3.77Å; F147-I442 HydrophobicContact CD1-CG2 4.19Å; F147-I442 HydrophobicContact CE1-CD1 3.85Å; F147-I442 HydrophobicContact CE1-CG1 3.87Å; F147-I442 HydrophobicContact CE1-CG2 4.42Å
148	S	97.9	Very high	96.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	17%	0.169	C	C	.	.			trans	-85.2	-2.9	-176.5	-67.9	0	0	0	0	115.4	A144 R488	A144-S148 WeakPolarHBondContact O-CB 3.45Å; A144-S148 PolarHBondContact O-N 3.15Å; A144-S148 PolarHBondContact O-OG 2.74Å; S148-R488 PolarHBondContact O-NE 2.89Å; S148-R488 PolarHBondContact O-NH2 2.85Å
149	D	98.2	Very high	95.9	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.102	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-76.9	166.8	179.5	-155.7	5.2	0	0	0	112.2	H169 Y170 H423 M424	D149-H169 VanDerWaalsContact OD1-CA 3.32Å; D149-H169 WeakPolarHBondContact OD1-CA 3.24Å; D149-H169 IonicContact OD1-CG 3.61Å; D149-H169 IonicContact OD1-ND1 3.73Å; D149-H169 PolarHBondContact OD1-ND1 3.48Å; D149-H169 IonicContact OD2-ND1 3.34Å; D149-Y170 PolarHBondContact OD1-N 3.02Å; D149-H423 CarbonylContact O-C 3.55Å; D149-H423 WeakPolarHBondContact O-CA 3.25Å; D149-M424 WeakPolarHBondContact CB-O 3.48Å; D149-M424 PolarHBondContact O-N 3.44Å
150	R	97.6	Very high	95.6	Very high	11 Å²	11	35.3 Å²	35.3	4%	0.042	18%	0.179	C	C	.	.			trans	-113.6	149.8	-177.8	-70	-62.4	-169	-148.9	-2.6	112	V166 F167 A168 H169 I421 P422 H423	R150-V166 PolarHBondContact NE-O 2.92Å; R150-F167 WeakPolarHBondContact CB-O 3.33Å; R150-A168 WeakPolarHBondContact CG-O 3.43Å; R150-H169 PolarHBondContact O-CE1 3.41Å; R150-H169 VanDerWaalsContact O-CE1 3.29Å; R150-H169 PolarHBondContact O-ND1 2.93Å; R150-I421 PolarHBondContact NH1-O 3.02Å; R150-P422 VanDerWaalsContact CD-O 3.28Å; R150-P422 WeakPolarHBondContact CD-O 3.31Å; R150-P422 PolarHBondContact NH1-O 2.87Å; R150-H423 PolarHBondContact NH1-CD2 3.16Å; R150-H423 VanDerWaalsContact NH1-CD2 3.28Å; R150-H423 PolarHBondContact NH1-NE2 3.23Å; R150-H423 VanDerWaalsContact NH1-NE2 3.2Å
151	P	94.5	Very high	95.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.013	20%	0.201	C	C	.	.			trans	-58.1	134.4	-179.5	-29.8	38.1	0	0	0	115.1	V153 I156 P422 M424 L441	P151-V153 HydrophobicContact CB-CG1 4.07Å; P151-V153 HydrophobicContact CB-CG2 4.07Å; P151-V153 PolarHBondContact O-N 3.3Å; P151-I156 HydrophobicContact CB-CD1 4.05Å; P151-I156 HydrophobicContact CG-CD1 4.34Å; P151-P422 WeakPolarHBondContact CD-O 3.24Å; P151-P422 HydrophobicContact CG-CB 3.81Å; P151-M424 HydrophobicContact CB-CE 4.33Å; P151-L441 HydrophobicContact CB-CD2 3.42Å; P151-L441 VanDerWaalsContact CB-CD2 3.42Å; P151-L441 HydrophobicContact CG-CD2 3.41Å; P151-L441 VanDerWaalsContact CG-CD2 3.41Å
152	R	92.9	Very high	95.2	Very high	148 Å²	148	39.7 Å²	39.7	56%	0.558	19%	0.193	S	C	*	.			trans	-93.9	74.9	162.8	-64.2	-173.5	-176.7	169.5	5.5	110.2	Y125 H169	Y125-R152 PolarHBondContact OH-O 2.91Å; R152-H169 WeakPolarHBondContact CG-CE1 3.25Å; R152-H169 WeakPolarHBondContact CG-NE2 3.39Å; R152-H169 PolarHBondContact NE-CE1 2.81Å; R152-H169 VanDerWaalsContact NE-CE1 3.28Å; R152-H169 PolarHBondContact NE-NE2 2.76Å
153	V	92.2	Very high	95.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.042	18%	0.176	C	C	.	.			trans	-118.1	141.4	179.1	-61.3	0	0	0	0	110.2	Y125 P151 L155 I156 S157 N271 L441	Y125-V153 HydrophobicContact CD1-CG1 4.22Å; Y125-V153 HydrophobicContact CD2-CG1 4.46Å; Y125-V153 HydrophobicContact CE1-CG1 3.91Å; Y125-V153 HydrophobicContact CE2-CG1 4.17Å; Y125-V153 HydrophobicContact CG-CG1 4.48Å; P151-V153 HydrophobicContact CB-CG1 4.07Å; P151-V153 HydrophobicContact CB-CG2 4.07Å; P151-V153 PolarHBondContact O-N 3.3Å; V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 PolarHBondContact O-N 3.22Å; V153-L155 VanDerWaalsContact O-N 3.1Å; V153-I156 HydrophobicContact CG2-CB 3.9Å; V153-I156 HydrophobicContact CG2-CD1 3.62Å; V153-I156 HydrophobicContact CG2-CG1 3.76Å; V153-I156 PolarHBondContact O-N 3.34Å; V153-S157 PolarHBondContact O-N 3.08Å; V153-S157 PolarHBondContact O-OG 2.61Å; V153-N271 WeakPolarHBondContact CB-OD1 3.32Å; V153-L441 HydrophobicContact CG1-CD1 4.33Å; V153-L441 HydrophobicContact CG1-CD2 4.24Å
154	P	94.2	Very high	94.9	Very high	25 Å²	25	34.2 Å²	34.2	16%	0.162	17%	0.167	C	C	.	.	H	α-helix	trans	-48.9	-44	-170.7	-31.1	32.8	0	0	0	115.2	I156 S157 I158 V270 P274	P154-I156 PolarHBondContact O-N 3.12Å; P154-S157 PolarHBondContact O-N 2.68Å; P154-I158 WeakPolarHBondContact O-CB 3.49Å; P154-I158 WeakPolarHBondContact O-CD1 3.26Å; P154-I158 WeakPolarHBondContact O-CG1 3.48Å; P154-I158 PolarHBondContact O-N 2.78Å; P154-V270 HydrophobicContact CB-CG1 4.43Å; P154-P274 HydrophobicContact CB-CB 4.05Å; P154-P274 HydrophobicContact CB-CG 3.79Å; P154-P274 HydrophobicContact CG-CG 3.73Å
155	L	92.5	Very high	94.9	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-45.5	-179.2	-178.2	63.4	0	0	0	112	V153 V159 V267 V270 N271 L287	V153-L155 VanDerWaalsContact C-N 3.29Å; V153-L155 PolarHBondContact O-N 3.22Å; V153-L155 VanDerWaalsContact O-N 3.1Å; L155-V159 HydrophobicContact CD1-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.17Å; L155-V267 HydrophobicContact CD1-CG1 3.97Å; L155-V267 HydrophobicContact CD2-CG1 3.89Å; L155-V270 HydrophobicContact CB-CB 4.42Å; L155-V270 HydrophobicContact CB-CG1 4.17Å; L155-V270 HydrophobicContact CD1-CB 4.38Å; L155-V270 HydrophobicContact CD1-CG1 4.26Å; L155-N271 WeakPolarHBondContact CB-OD1 3.48Å; L155-N271 PolarHBondContact N-OD1 3.44Å; L155-L287 HydrophobicContact CD1-CD2 3.81Å
156	I	92.9	Very high	94.9	Very high	24 Å²	24	31.2 Å²	31.2	12%	0.123	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-46.5	178.6	-70.6	174.4	0	0	0	109.7	P151 V153 P154 I158 V159 T160 F167	P151-I156 HydrophobicContact CB-CD1 4.05Å; P151-I156 HydrophobicContact CG-CD1 4.34Å; V153-I156 HydrophobicContact CG2-CB 3.9Å; V153-I156 HydrophobicContact CG2-CD1 3.62Å; V153-I156 HydrophobicContact CG2-CG1 3.76Å; V153-I156 PolarHBondContact O-N 3.34Å; P154-I156 PolarHBondContact O-N 3.12Å; I156-I158 VanDerWaalsContact C-N 3.32Å; I156-I158 PolarHBondContact O-N 3.43Å; I156-V159 PolarHBondContact O-N 3.11Å; I156-T160 WeakPolarHBondContact O-CB 3.31Å; I156-T160 PolarHBondContact O-N 3.01Å; I156-T160 PolarHBondContact O-OG1 3.04Å; I156-F167 HydrophobicContact CD1-CD1 3.65Å; I156-F167 HydrophobicContact CD1-CE1 3.47Å; I156-F167 VanDerWaalsContact CD1-CE1 3.47Å; I156-F167 HydrophobicContact CD1-CZ 4.36Å; I156-F167 HydrophobicContact CG1-CD1 4.15Å; I156-F167 HydrophobicContact CG1-CE1 4.09Å; I156-F167 HydrophobicContact CG2-CB 3.84Å; I156-F167 HydrophobicContact CG2-CD1 3.77Å; I156-F167 HydrophobicContact CG2-CG 3.86Å
157	S	94.5	Very high	94.9	Very high	31 Å²	31	30.9 Å²	30.9	22%	0.217	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-36.1	-178.9	-47.4	0	0	0	0	112.6	V153 P154 K161 E162	V153-S157 PolarHBondContact O-N 3.08Å; V153-S157 PolarHBondContact O-OG 2.61Å; P154-S157 PolarHBondContact O-N 2.68Å; S157-K161 VanDerWaalsContact O-CA 3.28Å; S157-K161 WeakPolarHBondContact O-CA 2.81Å; S157-K161 PolarHBondContact O-N 3.03Å; S157-K161 VanDerWaalsContact O-N 3.15Å; S157-E162 WeakPolarHBondContact CB-OE1 3.46Å; S157-E162 PolarHBondContact OG-OE1 2.94Å
158	I	93.7	Very high	94.8	Very high	25 Å²	25	31 Å²	31	13%	0.128	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-51.9	177.5	-72	164.8	0	0	0	110.6	P154 I156 V270 Y277	P154-I158 WeakPolarHBondContact O-CB 3.49Å; P154-I158 WeakPolarHBondContact O-CD1 3.26Å; P154-I158 WeakPolarHBondContact O-CG1 3.48Å; P154-I158 PolarHBondContact O-N 2.78Å; I156-I158 VanDerWaalsContact C-N 3.32Å; I156-I158 PolarHBondContact O-N 3.43Å; I158-V270 HydrophobicContact CD1-CG1 4.17Å; I158-Y277 HydrophobicContact CD1-CD1 4.37Å; I158-Y277 HydrophobicContact CD1-CG 4.13Å; I158-Y277 HydrophobicContact CG2-CD1 3.88Å; I158-Y277 HydrophobicContact CG2-CD2 3.94Å; I158-Y277 HydrophobicContact CG2-CE1 3.56Å; I158-Y277 HydrophobicContact CG2-CE2 3.6Å; I158-Y277 HydrophobicContact CG2-CG 4.06Å
159	V	91.8	Very high	94.8	Very high	41 Å²	41	32.6 Å²	32.6	25%	0.248	16%	0.158	C	C	.	.	H	α-helix	trans	-76.6	-39.1	-171.6	174.7	0	0	0	0	112.4	L155 I156 Y277	L155-V159 HydrophobicContact CD1-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.17Å; I156-V159 PolarHBondContact O-N 3.11Å; V159-Y277 HydrophobicContact CG2-CE2 4.47Å
160	T	92.9	Very high	94.7	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.104	16%	0.16	C	C	.	.	H	α-helix	trans	-107.8	-10.5	-170	70.3	0	0	0	0	114	I156 E162 K163 F167 Y344	I156-T160 WeakPolarHBondContact O-CB 3.31Å; I156-T160 PolarHBondContact O-N 3.01Å; I156-T160 PolarHBondContact O-OG1 3.04Å; T160-E162 PolarHBondContact O-N 3.2Å; T160-E162 PolarHBondContact OG1-N 3.03Å; T160-K163 PolarHBondContact O-N 2.58Å; T160-F167 HydrophobicContact CG2-CB 4.32Å; T160-F167 HydrophobicContact CG2-CD2 3.9Å; T160-F167 HydrophobicContact CG2-CG 4.35Å; T160-Y344 VanDerWaalsContact C-CE1 3.46Å; T160-Y344 WeakPolarHBondContact O-CD1 3.3Å; T160-Y344 VanDerWaalsContact O-CE1 3.28Å; T160-Y344 WeakPolarHBondContact O-CE1 3.43Å
161	K	94.1	Very high	94.6	Very high	113 Å²	113	33.8 Å²	33.8	49%	0.491	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	20	-168.9	-57.5	-65.2	179.9	-164.2	0	114.1	S157 K163 Y344	S157-K161 VanDerWaalsContact O-CA 3.28Å; S157-K161 WeakPolarHBondContact O-CA 2.81Å; S157-K161 PolarHBondContact O-N 3.03Å; S157-K161 VanDerWaalsContact O-N 3.15Å; K161-K163 HydrophobicContact CB-CG 4.48Å; K161-K163 PolarHBondContact O-N 3.11Å; K161-Y344 HydrophobicContact CB-CE2 3.92Å; K161-Y344 HydrophobicContact CG-CE2 3.99Å; K161-Y344 WeakPolarHBondContact CG-OH 3.34Å
162	E	94.1	Very high	94.7	Very high	56 Å²	56	38.4 Å²	38.4	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	24.4	-176.4	-50.2	170.8	173	0	0	112.5	S157 T160 A168 H169	S157-E162 WeakPolarHBondContact CB-OE1 3.46Å; S157-E162 PolarHBondContact OG-OE1 2.94Å; T160-E162 PolarHBondContact O-N 3.2Å; T160-E162 PolarHBondContact OG1-N 3.03Å; E162-A168 WeakPolarHBondContact O-CA 3.28Å; E162-H169 IonicContact OE2-CD2 3.21Å; E162-H169 IonicContact OE2-NE2 2.8Å; E162-H169 PolarHBondContact OE2-NE2 2.87Å
163	K	95.2	Very high	94.8	Very high	41 Å²	41	35.4 Å²	35.4	18%	0.178	19%	0.191	C	C	.	.			trans	-103.6	179.7	175.8	-70.5	-171.4	172.5	-164.5	0	110.8	T160 K161 D338 E340 Y341 Y344	T160-K163 PolarHBondContact O-N 2.58Å; K161-K163 HydrophobicContact CB-CG 4.48Å; K161-K163 PolarHBondContact O-N 3.11Å; K163-D338 IonicContact NZ-OD1 3.11Å; K163-D338 IonicContact NZ-OD2 3.79Å; K163-E340 HydrophobicContact CD-CG 4.14Å; K163-E340 VanDerWaalsContact NZ-CD 3.33Å; K163-E340 IonicContact NZ-OE2 3.97Å; K163-E340 PolarHBondContact NZ-OE2 3.31Å; K163-Y341 HydrophobicContact CB-CD2 4.18Å; K163-Y341 HydrophobicContact CB-CE2 4.09Å; K163-Y341 HydrophobicContact CD-CD2 3.9Å; K163-Y341 HydrophobicContact CD-CE2 4.44Å; K163-Y341 HydrophobicContact CD-CG 4.42Å; K163-Y341 HydrophobicContact CG-CD2 3.92Å; K163-Y341 HydrophobicContact CG-CE2 3.95Å; K163-Y344 HydrophobicContact CB-CD2 3.45Å; K163-Y344 VanDerWaalsContact CB-CD2 3.45Å; K163-Y344 HydrophobicContact CB-CE2 4.19Å; K163-Y344 HydrophobicContact CB-CG 3.8Å; K163-Y344 HydrophobicContact CD-CD2 3.9Å; K163-Y344 HydrophobicContact CD-CE2 4.17Å; K163-Y344 HydrophobicContact CG-CD2 4.22Å
164	G	95.6	Very high	95	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	87.9	-151	-175.6	0	0	0	0	0	113.5	A168 Y341	G164-A168 WeakPolarHBondContact O-CB 3.12Å; G164-Y341 VanDerWaalsContact N-CE1 3.26Å; G164-Y341 VanDerWaalsContact O-CE1 3.24Å; G164-Y341 WeakPolarHBondContact O-CE1 3.28Å; G164-Y341 PolarHBondContact O-OH 3.32Å
165	V	96.9	Very high	95.1	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	21%	0.205	C	C	.	.	S	Bend	trans	-115.3	-35.4	-179.8	179.3	0	0	0	0	111.7	W174 R178 I345 D348 R488 M491	V165-W174 PolarHBondContact O-NE1 3.07Å; V165-R178 HydrophobicContact CG1-CB 4.31Å; V165-R178 HydrophobicContact CG1-CG 4.37Å; V165-I345 HydrophobicContact CG2-CG1 4.2Å; V165-D348 PolarHBondContact N-OD2 3.02Å; V165-R488 PolarHBondContact O-NH1 2.75Å; V165-M491 HydrophobicContact CG1-CE 4.36Å; V165-M491 HydrophobicContact CG1-SD 4.28Å
166	V	96.1	Very high	95.3	Very high	37 Å²	37	44.2 Å²	44.2	22%	0.224	22%	0.223	C	C	.	.	S	Bend	trans	-73.4	-56.3	-172.4	177.2	0	0	0	0	110.5	R150 D348 I421	R150-V166 PolarHBondContact NE-O 2.92Å; V166-D348 HydrophobicContact CG2-CB 3.94Å; V166-D348 PolarHBondContact N-OD2 2.78Å; V166-I421 HydrophobicContact CG1-CG1 4.36Å; V166-I421 HydrophobicContact CG1-CG2 4.12Å
167	F	96.2	Very high	95.5	Very high	28 Å²	28	43 Å²	43	12%	0.123	22%	0.218	C	C	.	.	S	Bend	trans	-101.7	-4.7	-175.8	-72.3	-72.8	0	0	0	114.8	R150 I156 T160 I421	R150-F167 WeakPolarHBondContact CB-O 3.33Å; I156-F167 HydrophobicContact CD1-CD1 3.65Å; I156-F167 HydrophobicContact CD1-CE1 3.47Å; I156-F167 VanDerWaalsContact CD1-CE1 3.47Å; I156-F167 HydrophobicContact CD1-CZ 4.36Å; I156-F167 HydrophobicContact CG1-CD1 4.15Å; I156-F167 HydrophobicContact CG1-CE1 4.09Å; I156-F167 HydrophobicContact CG2-CB 3.84Å; I156-F167 HydrophobicContact CG2-CD1 3.77Å; I156-F167 HydrophobicContact CG2-CG 3.86Å; T160-F167 HydrophobicContact CG2-CB 4.32Å; T160-F167 HydrophobicContact CG2-CD2 3.9Å; T160-F167 HydrophobicContact CG2-CG 4.35Å; F167-I421 HydrophobicContact CD1-CG2 4.36Å; F167-I421 HydrophobicContact CE1-CG2 3.73Å; F167-I421 HydrophobicContact CZ-CG2 3.97Å
168	A	96.8	Very high	95.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.215	C	C	.	.	S	Bend	trans	-61.5	144.7	175.5	0	0	0	0	0	113	R150 E162 G164 W174 Y341 R488	R150-A168 WeakPolarHBondContact CG-O 3.43Å; E162-A168 WeakPolarHBondContact O-CA 3.28Å; G164-A168 WeakPolarHBondContact O-CB 3.12Å; A168-W174 HydrophobicContact CB-CB 4.49Å; A168-Y341 WeakPolarHBondContact CB-OH 3.23Å; A168-R488 VanDerWaalsContact O-CZ 3.31Å; A168-R488 PolarHBondContact O-NH1 3.37Å; A168-R488 PolarHBondContact O-NH2 2.79Å
169	H	96.9	Very high	95.8	Very high	36 Å²	36	50.1 Å²	50.1	17%	0.167	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-63.1	148.1	-177.6	-75	-53.2	0	0	0	113.7	D149 R150 R152 E162 G171 W174	D149-H169 VanDerWaalsContact OD1-CA 3.32Å; D149-H169 WeakPolarHBondContact OD1-CA 3.24Å; D149-H169 IonicContact OD1-CG 3.61Å; D149-H169 IonicContact OD1-ND1 3.73Å; D149-H169 PolarHBondContact OD1-ND1 3.48Å; D149-H169 IonicContact OD2-ND1 3.34Å; R150-H169 PolarHBondContact O-CE1 3.41Å; R150-H169 VanDerWaalsContact O-CE1 3.29Å; R150-H169 PolarHBondContact O-ND1 2.93Å; R152-H169 WeakPolarHBondContact CG-CE1 3.25Å; R152-H169 WeakPolarHBondContact CG-NE2 3.39Å; R152-H169 PolarHBondContact NE-CE1 2.81Å; R152-H169 VanDerWaalsContact NE-CE1 3.28Å; R152-H169 PolarHBondContact NE-NE2 2.76Å; E162-H169 IonicContact OE2-CD2 3.21Å; E162-H169 IonicContact OE2-NE2 2.8Å; E162-H169 PolarHBondContact OE2-NE2 2.87Å; H169-G171 PolarHBondContact O-N 2.88Å; H169-W174 WeakPolarHBondContact O-CB 3.38Å
170	Y	96.8	Very high	96.1	Very high	38 Å²	38	49.4 Å²	49.4	15%	0.149	24%	0.236	C	C	.	.	S	Bend	trans	-69.9	118.8	176	-171.6	-107.2	0	0	0	110.7	E145 D149 W174 R175 K487	E145-Y170 WeakPolarHBondContact OE2-CE1 3.24Å; E145-Y170 PolarHBondContact OE2-OH 3.44Å; E145-Y170 VanDerWaalsContact OE2-OH 3.08Å; D149-Y170 PolarHBondContact OD1-N 3.02Å; Y170-W174 AromaticContact CD2-CE3 3.75Å; Y170-W174 HydrophobicContact CD2-CE3 3.75Å; Y170-W174 HydrophobicContact CD2-CH2 4.42Å; Y170-W174 AromaticContact CD2-CZ3 3.7Å; Y170-W174 HydrophobicContact CD2-CZ3 3.7Å; Y170-W174 AromaticContact CE2-CE3 3.91Å; Y170-W174 HydrophobicContact CE2-CE3 3.91Å; Y170-W174 HydrophobicContact CE2-CH2 4.24Å; Y170-W174 AromaticContact CE2-CZ3 3.46Å; Y170-W174 HydrophobicContact CE2-CZ3 3.46Å; Y170-W174 VanDerWaalsContact CE2-CZ3 3.46Å; Y170-R175 PolarHBondContact OH-NE 3.1Å; Y170-R175 PolarHBondContact OH-NH2 3.48Å; Y170-K487 HydrophobicContact CE2-CB 4.42Å; Y170-K487 HydrophobicContact CE2-CD 3.9Å; Y170-K487 WeakPolarHBondContact OH-CD 3.49Å; Y170-K487 WeakPolarHBondContact OH-CE 3.48Å; Y170-K487 PolarHBondContact OH-NZ 2.87Å
171	G	95.8	Very high	96.3	Very high	17 Å²	17	48.6 Å²	48.6	18%	0.175	23%	0.231	C	C	.	.	S	Bend	trans	173.6	-174.5	-178.6	0	0	0	0	0	112.7	H169 I173 W174 R175	H169-G171 PolarHBondContact O-N 2.88Å; G171-I173 PolarHBondContact O-N 3.21Å; G171-W174 PolarHBondContact O-N 3Å; G171-R175 WeakPolarHBondContact O-CG 3.49Å; G171-R175 PolarHBondContact O-N 2.73Å
172	P	95.6	Very high	96.4	Very high	100 Å²	100	46.1 Å²	46.1	65%	0.649	22%	0.221	S	C	*	.	H	α-helix	trans	-56.6	-43.9	-178.3	-26.2	35.4	0	0	0	113.6	R175 Q176	P172-R175 PolarHBondContact O-N 2.91Å; P172-Q176 WeakPolarHBondContact O-CG 3.33Å; P172-Q176 PolarHBondContact O-N 2.75Å
173	I	95.5	Very high	96.5	Very high	85 Å²	85	47 Å²	47	44%	0.436	23%	0.233	S	C	.	.	H	α-helix	trans	-58.2	-54	179.1	-65.1	173.3	0	0	0	110.5	G171 R175 Q176 Q177 Y341	G171-I173 PolarHBondContact O-N 3.21Å; I173-R175 VanDerWaalsContact C-N 3.3Å; I173-R175 PolarHBondContact O-N 3.41Å; I173-Q176 PolarHBondContact O-N 3.27Å; I173-Q177 HydrophobicContact CG2-CG 4.26Å; I173-Q177 WeakPolarHBondContact O-CB 3.26Å; I173-Q177 VanDerWaalsContact O-CG 3.31Å; I173-Q177 WeakPolarHBondContact O-CG 3.09Å; I173-Q177 PolarHBondContact O-N 3.27Å; I173-Y341 HydrophobicContact CG2-CE2 3.84Å
174	W	97	Very high	96.6	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.038	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-39.1	177.8	170.2	81.6	0	0	0	112.4	V165 A168 H169 Y170 G171 R178 K487	V165-W174 PolarHBondContact O-NE1 3.07Å; A168-W174 HydrophobicContact CB-CB 4.49Å; H169-W174 WeakPolarHBondContact O-CB 3.38Å; Y170-W174 AromaticContact CD2-CE3 3.75Å; Y170-W174 HydrophobicContact CD2-CE3 3.75Å; Y170-W174 HydrophobicContact CD2-CH2 4.42Å; Y170-W174 AromaticContact CD2-CZ3 3.7Å; Y170-W174 HydrophobicContact CD2-CZ3 3.7Å; Y170-W174 AromaticContact CE2-CE3 3.91Å; Y170-W174 HydrophobicContact CE2-CE3 3.91Å; Y170-W174 HydrophobicContact CE2-CH2 4.24Å; Y170-W174 AromaticContact CE2-CZ3 3.46Å; Y170-W174 HydrophobicContact CE2-CZ3 3.46Å; Y170-W174 VanDerWaalsContact CE2-CZ3 3.46Å; G171-W174 PolarHBondContact O-N 3Å; W174-R178 HydrophobicContact CZ2-CB 4.48Å; W174-R178 HydrophobicContact CZ2-CG 4.41Å; W174-R178 WeakPolarHBondContact O-CB 3.21Å; W174-R178 PolarHBondContact O-N 2.7Å; W174-K487 WeakPolarHBondContact CH2-O 3.46Å
175	R	96.9	Very high	96.6	Very high	120 Å²	120	45.4 Å²	45.4	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-43.6	177.1	-72	178.1	-174.6	-175.5	2.6	111.2	E145 Y170 G171 P172 I173 K179	E145-R175 IonicContact OE1-NH2 3.37Å; E145-R175 IonicContact OE2-NH2 3.08Å; E145-R175 PolarHBondContact OE2-NH2 3Å; Y170-R175 PolarHBondContact OH-NE 3.1Å; Y170-R175 PolarHBondContact OH-NH2 3.48Å; G171-R175 WeakPolarHBondContact O-CG 3.49Å; G171-R175 PolarHBondContact O-N 2.73Å; P172-R175 PolarHBondContact O-N 2.91Å; I173-R175 VanDerWaalsContact C-N 3.3Å; I173-R175 PolarHBondContact O-N 3.41Å; R175-K179 WeakPolarHBondContact O-CB 3.33Å; R175-K179 PolarHBondContact O-N 3.05Å
176	Q	96	Very high	96.4	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-52.2	176.6	-73.8	173.4	-12.2	0	0	111	P172 I173 R178 K179 F180	P172-Q176 WeakPolarHBondContact O-CG 3.33Å; P172-Q176 PolarHBondContact O-N 2.75Å; I173-Q176 PolarHBondContact O-N 3.27Å; Q176-R178 PolarHBondContact O-N 3.34Å; Q176-K179 PolarHBondContact O-N 2.8Å; Q176-F180 WeakPolarHBondContact O-CB 3.31Å; Q176-F180 PolarHBondContact O-N 3.44Å
177	Q	97.3	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-43.5	-179	-70.1	-70.4	8.1	0	0	112.4	I173 S181 Y321 S336 F337 Y341 I345	I173-Q177 HydrophobicContact CG2-CG 4.26Å; I173-Q177 WeakPolarHBondContact O-CB 3.26Å; I173-Q177 VanDerWaalsContact O-CG 3.31Å; I173-Q177 WeakPolarHBondContact O-CG 3.09Å; I173-Q177 PolarHBondContact O-N 3.27Å; Q177-S181 VanDerWaalsContact O-CB 3.27Å; Q177-S181 WeakPolarHBondContact O-CB 3.48Å; Q177-S181 PolarHBondContact O-N 3.21Å; Q177-S181 PolarHBondContact O-OG 3.38Å; Q177-Y321 PolarHBondContact NE2-OH 2.91Å; Q177-S336 PolarHBondContact NE2-O 3.06Å; Q177-F337 VanDerWaalsContact OE1-CE1 3.24Å; Q177-Y341 HydrophobicContact CB-CE1 4.05Å; Q177-Y341 HydrophobicContact CG-CD1 4.02Å; Q177-Y341 HydrophobicContact CG-CE1 3.55Å; Q177-I345 HydrophobicContact CB-CD1 4.21Å; Q177-I345 HydrophobicContact CG-CD1 4.39Å
178	R	97.6	Very high	96.1	Very high	42 Å²	42	54.9 Å²	54.9	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-43.6	174.5	179	173.5	173.5	109.1	-1.1	112.2	V165 W174 Q176 S181 H182 V489 M491	V165-R178 HydrophobicContact CG1-CB 4.31Å; V165-R178 HydrophobicContact CG1-CG 4.37Å; W174-R178 HydrophobicContact CZ2-CB 4.48Å; W174-R178 HydrophobicContact CZ2-CG 4.41Å; W174-R178 WeakPolarHBondContact O-CB 3.21Å; W174-R178 PolarHBondContact O-N 2.7Å; Q176-R178 PolarHBondContact O-N 3.34Å; R178-S181 PolarHBondContact O-N 3.11Å; R178-H182 VanDerWaalsContact O-CB 3.31Å; R178-H182 WeakPolarHBondContact O-CB 3.4Å; R178-H182 PolarHBondContact O-N 3.46Å; R178-V489 PolarHBondContact NH1-O 2.56Å; R178-V489 PolarHBondContact NH2-O 3.18Å; R178-M491 HydrophobicContact CG-SD 3.95Å
179	K	97.3	Very high	95.7	Very high	162 Å²	162	54.8 Å²	54.8	70%	0.704	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-47.5	179.6	-177.6	-176.9	178.2	-172	0	110.7	R175 Q176 S183	R175-K179 WeakPolarHBondContact O-CB 3.33Å; R175-K179 PolarHBondContact O-N 3.05Å; Q176-K179 PolarHBondContact O-N 2.8Å; K179-S183 VanDerWaalsContact O-CB 3.25Å; K179-S183 WeakPolarHBondContact O-CB 3.45Å; K179-S183 PolarHBondContact O-N 3.43Å
180	F	97.4	Very high	95.3	Very high	27 Å²	27	53.1 Å²	53.1	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-55.5	174.1	178.6	-91.2	0	0	0	109.8	Q176 H182 S183 T184 F317 M320 Y321 H324 F337	Q176-F180 WeakPolarHBondContact O-CB 3.31Å; Q176-F180 PolarHBondContact O-N 3.44Å; F180-H182 PolarHBondContact O-N 2.98Å; F180-S183 WeakPolarHBondContact O-CB 3.28Å; F180-S183 PolarHBondContact O-N 3.31Å; F180-T184 WeakPolarHBondContact CE1-OG1 3.34Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.38Å; F180-T184 PolarHBondContact O-N 2.84Å; F180-T184 PolarHBondContact O-OG1 2.84Å; F180-T184 VanDerWaalsContact O-OG1 3.04Å; F180-F317 HydrophobicContact CD1-CZ 4.34Å; F180-F317 HydrophobicContact CE1-CZ 4.25Å; F180-M320 HydrophobicContact CZ-CB 4.43Å; F180-Y321 AromaticContact CD1-CD2 3.87Å; F180-Y321 HydrophobicContact CD1-CD2 3.87Å; F180-Y321 HydrophobicContact CD1-CE2 4.39Å; F180-Y321 AromaticContact CE1-CD2 3.52Å; F180-Y321 HydrophobicContact CE1-CD2 3.52Å; F180-Y321 HydrophobicContact CE1-CE2 4.43Å; F180-Y321 HydrophobicContact CE1-CG 4.1Å; F180-Y321 HydrophobicContact CZ-CD2 4.39Å; F180-H324 HydrophobicContact CD2-CB 4.4Å; F180-H324 AromaticContact CD2-CD2 3.36Å; F180-H324 WeakPolarHBondContact CD2-CD2 3.28Å; F180-H324 AromaticContact CD2-CG 3.85Å; F180-H324 AromaticContact CD2-NE2 3.75Å; F180-H324 HydrophobicContact CE2-CB 3.5Å; F180-H324 VanDerWaalsContact CE2-CB 3.5Å; F180-H324 AromaticContact CE2-CD2 3.37Å; F180-H324 WeakPolarHBondContact CE2-CD2 3.46Å; F180-H324 AromaticContact CE2-CG 3.4Å; F180-H324 HydrophobicContact CZ-CB 3.83Å; F180-F337 HydrophobicContact CB-CE1 3.96Å; F180-F337 HydrophobicContact CB-CZ 4.01Å; F180-F337 HydrophobicContact CD1-CE1 4.18Å; F180-F337 HydrophobicContact CD2-CE1 4.3Å; F180-F337 AromaticContact CG-CE1 3.86Å; F180-F337 HydrophobicContact CG-CE1 3.86Å; F180-F337 HydrophobicContact CG-CZ 4.29Å
181	S	97.5	Very high	94.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-47.3	-174.9	-58.1	0	0	0	0	112.6	Q177 R178 T184 L185	Q177-S181 VanDerWaalsContact O-CB 3.27Å; Q177-S181 WeakPolarHBondContact O-CB 3.48Å; Q177-S181 PolarHBondContact O-N 3.21Å; Q177-S181 PolarHBondContact O-OG 3.38Å; R178-S181 PolarHBondContact O-N 3.11Å; S181-T184 PolarHBondContact O-N 2.67Å; S181-L185 VanDerWaalsContact O-CG 3.29Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 2.74Å
182	H	96.4	Very high	94.4	Very high	60 Å²	60	55.8 Å²	55.8	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-39.9	178.3	-177.4	-87.7	0	0	0	112.3	R178 F180 R186 M491	R178-H182 VanDerWaalsContact O-CB 3.31Å; R178-H182 WeakPolarHBondContact O-CB 3.4Å; R178-H182 PolarHBondContact O-N 3.46Å; F180-H182 PolarHBondContact O-N 2.98Å; H182-R186 VanDerWaalsContact O-CB 3.32Å; H182-R186 WeakPolarHBondContact O-CB 3.46Å; H182-R186 PolarHBondContact O-N 3.49Å; H182-M491 HydrophobicContact CB-CG 3.96Å; H182-M491 HydrophobicContact CB-SD 3.99Å
183	S	96.4	Very high	94.1	Very high	74 Å²	74	55.6 Å²	55.6	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-44.2	177.3	-170.7	0	0	0	0	111.5	K179 F180 R186 H187	K179-S183 VanDerWaalsContact O-CB 3.25Å; K179-S183 WeakPolarHBondContact O-CB 3.45Å; K179-S183 PolarHBondContact O-N 3.43Å; F180-S183 WeakPolarHBondContact O-CB 3.28Å; F180-S183 PolarHBondContact O-N 3.31Å; S183-R186 PolarHBondContact O-N 3.29Å; S183-H187 PolarHBondContact O-N 2.89Å
184	T	96.4	Very high	93.9	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-46	178.3	-56.8	0	0	0	0	111.3	F180 S181 R186 H187 F188 F317 M320	F180-T184 WeakPolarHBondContact CE1-OG1 3.34Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.38Å; F180-T184 PolarHBondContact O-N 2.84Å; F180-T184 PolarHBondContact O-OG1 2.84Å; F180-T184 VanDerWaalsContact O-OG1 3.04Å; S181-T184 PolarHBondContact O-N 2.67Å; T184-R186 VanDerWaalsContact C-N 3.3Å; T184-R186 PolarHBondContact O-N 2.99Å; T184-H187 WeakPolarHBondContact O-CA 3.06Å; T184-H187 VanDerWaalsContact O-CB 3.25Å; T184-H187 WeakPolarHBondContact O-CB 3.36Å; T184-H187 PolarHBondContact O-N 3.44Å; T184-F188 HydrophobicContact CG2-CD2 4.05Å; T184-F188 HydrophobicContact CG2-CE2 3.72Å; T184-F188 VanDerWaalsContact O-CD2 3.24Å; T184-F188 WeakPolarHBondContact O-CD2 3.47Å; T184-F188 PolarHBondContact O-N 3.38Å; T184-F188 VanDerWaalsContact O-N 3.14Å; T184-F317 HydrophobicContact CG2-CB 4.47Å; T184-F317 HydrophobicContact CG2-CD2 3.72Å; T184-F317 HydrophobicContact CG2-CE2 4.25Å; T184-F317 HydrophobicContact CG2-CG 4.25Å; T184-M320 HydrophobicContact CG2-CB 3.72Å; T184-M320 HydrophobicContact CG2-CG 4.07Å
185	L	94.9	Very high	93.8	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-39.2	174.8	-69.1	170.3	0	0	0	112.1	S181 H187 F188 G189 L190 L235 F317 L349 M491	S181-L185 VanDerWaalsContact O-CG 3.29Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 2.74Å; L185-H187 VanDerWaalsContact C-N 3.29Å; L185-H187 PolarHBondContact O-N 2.68Å; L185-F188 CarbonylContact O-C 3.42Å; L185-F188 PolarHBondContact O-N 2.92Å; L185-G189 PolarHBondContact O-N 2.9Å; L185-L190 VanDerWaalsContact C-CB 3.48Å; L185-L190 HydrophobicContact CB-CB 3.94Å; L185-L190 HydrophobicContact CB-CD1 3.66Å; L185-L190 HydrophobicContact CB-CG 4.43Å; L185-L190 HydrophobicContact CD1-CD1 4.01Å; L185-L190 HydrophobicContact CG-CD1 4.44Å; L185-L190 WeakPolarHBondContact O-CB 3.48Å; L185-L190 PolarHBondContact O-N 3.44Å; L185-L235 HydrophobicContact CD2-CB 4.23Å; L185-F317 HydrophobicContact CD2-CD2 4.15Å; L185-F317 HydrophobicContact CG-CD2 4.19Å; L185-F317 HydrophobicContact CG-CE2 4.36Å; L185-L349 HydrophobicContact CD1-CD1 4.41Å; L185-L349 HydrophobicContact CD1-CD2 3.83Å; L185-M491 HydrophobicContact CD1-CE 4.2Å
186	R	94	Very high	93.6	Very high	116 Å²	116	50.1 Å²	50.1	44%	0.438	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-31.1	175	-174.7	178.9	170.8	94.3	-2.9	112	H182 S183 T184 G189 K192	H182-R186 VanDerWaalsContact O-CB 3.32Å; H182-R186 WeakPolarHBondContact O-CB 3.46Å; H182-R186 PolarHBondContact O-N 3.49Å; S183-R186 PolarHBondContact O-N 3.29Å; T184-R186 VanDerWaalsContact C-N 3.3Å; T184-R186 PolarHBondContact O-N 2.99Å; R186-G189 PolarHBondContact O-N 3.31Å; R186-K192 WeakPolarHBondContact O-CE 3.26Å; R186-K192 PolarHBondContact O-NZ 3.49Å
187	H	93.5	Very high	93.6	Very high	118 Å²	118	49.4 Å²	49.4	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-48.4	171.4	178.6	83.9	0	0	0	110.2	S183 T184 L185 G189	S183-H187 PolarHBondContact O-N 2.89Å; T184-H187 WeakPolarHBondContact O-CA 3.06Å; T184-H187 VanDerWaalsContact O-CB 3.25Å; T184-H187 WeakPolarHBondContact O-CB 3.36Å; T184-H187 PolarHBondContact O-N 3.44Å; L185-H187 VanDerWaalsContact C-N 3.29Å; L185-H187 PolarHBondContact O-N 2.68Å; H187-G189 PolarHBondContact O-N 2.93Å
188	F	92.1	Very high	93.4	Very high	39 Å²	39	53.7 Å²	53.7	17%	0.171	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.3	178.8	-65.9	-64.6	0	0	0	116	T184 L185 L235 Q315 D316 M320	T184-F188 HydrophobicContact CG2-CD2 4.05Å; T184-F188 HydrophobicContact CG2-CE2 3.72Å; T184-F188 VanDerWaalsContact O-CD2 3.24Å; T184-F188 WeakPolarHBondContact O-CD2 3.47Å; T184-F188 PolarHBondContact O-N 3.38Å; T184-F188 VanDerWaalsContact O-N 3.14Å; L185-F188 CarbonylContact O-C 3.42Å; L185-F188 PolarHBondContact O-N 2.92Å; F188-L235 HydrophobicContact CB-CD2 3.65Å; F188-L235 WeakPolarHBondContact O-CD2 3.45Å; F188-Q315 WeakPolarHBondContact CE1-O 3.32Å; F188-D316 VanDerWaalsContact CE2-O 3.31Å; F188-D316 WeakPolarHBondContact CE2-O 3.38Å; F188-D316 VanDerWaalsContact CZ-O 3.32Å; F188-D316 WeakPolarHBondContact CZ-O 3.48Å; F188-M320 HydrophobicContact CE2-CG 3.79Å; F188-M320 HydrophobicContact CZ-CG 3.74Å
189	G	88.3	Confident	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.1	3.7	169.5	0	0	0	0	0	116.1	L185 R186 H187 G191 K192 L195	L185-G189 PolarHBondContact O-N 2.9Å; R186-G189 PolarHBondContact O-N 3.31Å; H187-G189 PolarHBondContact O-N 2.93Å; G189-G191 PolarHBondContact O-N 3.34Å; G189-G191 VanDerWaalsContact O-N 3.09Å; G189-K192 PolarHBondContact O-N 3.48Å; G189-L195 WeakPolarHBondContact O-CB 3.18Å
190	L	89.4	Confident	93.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	120.5	171.3	-179.5	154.6	0	0	0	110	L185 K192 Q494 L495	L185-L190 VanDerWaalsContact C-CB 3.48Å; L185-L190 HydrophobicContact CB-CB 3.94Å; L185-L190 HydrophobicContact CB-CD1 3.66Å; L185-L190 HydrophobicContact CB-CG 4.43Å; L185-L190 HydrophobicContact CD1-CD1 4.01Å; L185-L190 HydrophobicContact CG-CD1 4.44Å; L185-L190 WeakPolarHBondContact O-CB 3.48Å; L185-L190 PolarHBondContact O-N 3.44Å; L190-K192 VanDerWaalsContact C-N 3.31Å; L190-K192 PolarHBondContact O-N 2.87Å; L190-Q494 HydrophobicContact CD2-CB 3.96Å; L190-L495 HydrophobicContact CD1-CB 4.11Å; L190-L495 HydrophobicContact CG-CB 4.06Å
191	G	81.4	Confident	93.4	Very high	30 Å²	30	48.4 Å²	48.4	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	11	-179.3	0	0	0	0	0	115.1	G189 M498	G189-G191 PolarHBondContact O-N 3.34Å; G189-G191 VanDerWaalsContact O-N 3.09Å; G191-M498 WeakPolarHBondContact CA-SD 3.45Å; G191-M498 PolarHBondContact N-SD 2.67Å; G191-M498 VanDerWaalsContact N-SD 3.35Å
192	K	90.4	Very high	93.4	Very high	80 Å²	80	48.9 Å²	48.9	35%	0.348	26%	0.256	S	S	.	.	S	Bend	trans	-123.3	151.9	-176.7	-62.6	178	177.7	168.2	0	111.8	R186 G189 L190 S194 L195 M498	R186-K192 WeakPolarHBondContact O-CE 3.26Å; R186-K192 PolarHBondContact O-NZ 3.49Å; G189-K192 PolarHBondContact O-N 3.48Å; L190-K192 VanDerWaalsContact C-N 3.31Å; L190-K192 PolarHBondContact O-N 2.87Å; K192-S194 PolarHBondContact O-N 3.09Å; K192-S194 VanDerWaalsContact O-N 3.11Å; K192-L195 PolarHBondContact O-N 3.3Å; K192-M498 WeakPolarHBondContact O-CE 3.18Å
193	L	90.8	Very high	93.5	Very high	97 Å²	97	46.7 Å²	46.7	51%	0.508	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59	-24	176.4	-58.1	177.7	0	0	0	113.1	L195 E196 L394 T395	L193-L195 PolarHBondContact O-N 2.62Å; L193-L195 VanDerWaalsContact O-N 3.13Å; L193-E196 WeakPolarHBondContact CD2-OE1 3.23Å; L193-E196 WeakPolarHBondContact O-CB 3.4Å; L193-E196 WeakPolarHBondContact O-CG 3.14Å; L193-E196 PolarHBondContact O-N 3.04Å; L193-E196 VanDerWaalsContact O-N 3.09Å; L193-L394 HydrophobicContact CD2-CB 4.13Å; L193-L394 HydrophobicContact CD2-CD1 4.37Å; L193-T395 HydrophobicContact CD1-CG2 4.41Å; L193-T395 HydrophobicContact CD2-CG2 4.26Å
194	S	91.6	Very high	93.5	Very high	78 Å²	78	49.7 Å²	49.7	55%	0.545	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-62.3	-18.9	179.3	60.8	0	0	0	0	114.2	K192	K192-S194 PolarHBondContact O-N 3.09Å; K192-S194 VanDerWaalsContact O-N 3.11Å
195	L	93.4	Very high	93.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90	-18.3	177.2	-170.4	60.3	0	0	0	113.1	G189 K192 L193 P197 K198 I199 L235 L495 M498	G189-L195 WeakPolarHBondContact O-CB 3.18Å; K192-L195 PolarHBondContact O-N 3.3Å; L193-L195 PolarHBondContact O-N 2.62Å; L193-L195 VanDerWaalsContact O-N 3.13Å; L195-P197 VanDerWaalsContact C-CD 3.44Å; L195-K198 HydrophobicContact CD1-CB 4.15Å; L195-K198 HydrophobicContact CD1-CD 3.96Å; L195-K198 HydrophobicContact CD1-CG 4.32Å; L195-K198 PolarHBondContact O-N 3.04Å; L195-K198 VanDerWaalsContact O-N 3.13Å; L195-I199 HydrophobicContact CG-CD1 4.28Å; L195-I199 HydrophobicContact CG-CG1 4.45Å; L195-I199 PolarHBondContact O-N 3.17Å; L195-L235 HydrophobicContact CD1-CD2 3.86Å; L195-L235 HydrophobicContact CD1-CG 4.48Å; L195-L235 HydrophobicContact CD2-CD1 4.16Å; L195-L495 HydrophobicContact CD2-CD1 3.37Å; L195-M498 HydrophobicContact CB-CE 4.04Å; L195-M498 HydrophobicContact CD2-CE 4.44Å
196	E	94.1	Very high	93.7	Very high	21 Å²	21	53.5 Å²	53.5	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-53.5	-45.4	-179.4	-59.6	-175.3	169.3	0	0	113	L193 K198 I199 I200 S393 L394 L502	L193-E196 WeakPolarHBondContact CD2-OE1 3.23Å; L193-E196 WeakPolarHBondContact O-CB 3.4Å; L193-E196 WeakPolarHBondContact O-CG 3.14Å; L193-E196 PolarHBondContact O-N 3.04Å; L193-E196 VanDerWaalsContact O-N 3.09Å; E196-K198 PolarHBondContact O-N 3.13Å; E196-I199 PolarHBondContact O-N 3.39Å; E196-I200 WeakPolarHBondContact O-CG1 3.18Å; E196-I200 PolarHBondContact O-N 3.25Å; E196-S393 PolarHBondContact OE1-OG 3.05Å; E196-S393 WeakPolarHBondContact OE2-CB 3.45Å; E196-S393 PolarHBondContact OE2-OG 3.34Å; E196-L394 HydrophobicContact CG-CD1 3.92Å; E196-L394 HydrophobicContact CG-CG 4.16Å; E196-L394 WeakPolarHBondContact OE1-CA 3.16Å; E196-L394 WeakPolarHBondContact OE1-CB 3.41Å; E196-L394 VanDerWaalsContact OE1-CD1 3.22Å; E196-L394 WeakPolarHBondContact OE1-CD1 3.42Å; E196-L394 WeakPolarHBondContact OE1-CG 3.26Å; E196-L394 PolarHBondContact OE1-N 3.46Å; E196-L502 HydrophobicContact CB-CD1 4.19Å; E196-L502 HydrophobicContact CG-CD1 3.96Å
197	P	94.8	Very high	93.9	Very high	83 Å²	83	51.4 Å²	51.4	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-36	-178.4	-25.4	36.4	0	0	0	112.7	L195 E201	L195-P197 VanDerWaalsContact C-CD 3.44Å; P197-E201 WeakPolarHBondContact O-CB 3.38Å; P197-E201 PolarHBondContact O-N 3.35Å
198	K	94.5	Very high	94	Very high	90 Å²	90	48 Å²	48	39%	0.391	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-40.3	177	-64.4	-162.6	177.6	-164	0	111.8	L195 E196 E201 E202	L195-K198 HydrophobicContact CD1-CB 4.15Å; L195-K198 HydrophobicContact CD1-CD 3.96Å; L195-K198 HydrophobicContact CD1-CG 4.32Å; L195-K198 PolarHBondContact O-N 3.04Å; L195-K198 VanDerWaalsContact O-N 3.13Å; E196-K198 PolarHBondContact O-N 3.13Å; K198-E201 PolarHBondContact O-N 3.06Å; K198-E202 WeakPolarHBondContact O-CB 3.45Å; K198-E202 PolarHBondContact O-N 2.97Å
199	I	96.6	Very high	94.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-43.8	178.7	-60	171.9	0	0	0	110.3	L195 E196 E202 F203 I231 M498 E499 L502 M503	L195-I199 HydrophobicContact CG-CD1 4.28Å; L195-I199 HydrophobicContact CG-CG1 4.45Å; L195-I199 PolarHBondContact O-N 3.17Å; E196-I199 PolarHBondContact O-N 3.39Å; I199-E202 PolarHBondContact O-N 2.88Å; I199-F203 PolarHBondContact O-N 2.95Å; I199-I231 HydrophobicContact CB-CD1 4.43Å; I199-I231 HydrophobicContact CG1-CD1 4.01Å; I199-I231 HydrophobicContact CG1-CG1 4.34Å; I199-I231 HydrophobicContact CG1-CG2 4.27Å; I199-I231 HydrophobicContact CG2-CD1 4.17Å; I199-M498 HydrophobicContact CD1-CB 4.39Å; I199-E499 HydrophobicContact CD1-CG 3.96Å; I199-E499 HydrophobicContact CG1-CG 4.49Å; I199-L502 HydrophobicContact CB-CD1 4.15Å; I199-L502 HydrophobicContact CD1-CD1 3.85Å; I199-L502 HydrophobicContact CG2-CB 3.81Å; I199-L502 HydrophobicContact CG2-CD1 4.13Å; I199-M503 HydrophobicContact CG2-CE 4.35Å; I199-M503 HydrophobicContact CG2-CG 4.02Å; I199-M503 HydrophobicContact CG2-SD 4.39Å
200	I	97.3	Very high	94.7	Very high	26 Å²	26	48 Å²	48	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-37.1	176.8	-63.5	-57.1	0	0	0	111.6	E196 F203 K204 A391 L502	E196-I200 WeakPolarHBondContact O-CG1 3.18Å; E196-I200 PolarHBondContact O-N 3.25Å; I200-F203 WeakPolarHBondContact O-CB 3.4Å; I200-F203 PolarHBondContact O-N 3.34Å; I200-K204 PolarHBondContact O-N 2.92Å; I200-A391 HydrophobicContact CG2-CB 3.88Å; I200-L502 HydrophobicContact CD1-CB 4.43Å; I200-L502 HydrophobicContact CD1-CD2 4.46Å
201	E	96.7	Very high	95	Very high	94 Å²	94	51 Å²	51	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-46.9	171.7	178.1	173.3	-147.3	0	0	111.2	P197 K198 F203 K204 Y205	P197-E201 WeakPolarHBondContact O-CB 3.38Å; P197-E201 PolarHBondContact O-N 3.35Å; K198-E201 PolarHBondContact O-N 3.06Å; E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.41Å; E201-K204 VanDerWaalsContact O-CB 3.26Å; E201-K204 WeakPolarHBondContact O-CB 3.22Å; E201-K204 PolarHBondContact O-N 2.71Å; E201-Y205 HydrophobicContact CG-CE2 4.11Å; E201-Y205 WeakPolarHBondContact O-CD2 3.25Å
202	E	97.9	Very high	95.7	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-36	178.1	-165.8	57.4	-154.8	0	0	111.8	K198 I199 K204 Y205 V206 A227 N230 I231 R240 Y243 M503	K198-E202 WeakPolarHBondContact O-CB 3.45Å; K198-E202 PolarHBondContact O-N 2.97Å; I199-E202 PolarHBondContact O-N 2.88Å; E202-K204 VanDerWaalsContact C-N 3.25Å; E202-K204 PolarHBondContact O-N 2.95Å; E202-Y205 WeakPolarHBondContact O-CB 3.34Å; E202-Y205 PolarHBondContact O-N 3.28Å; E202-Y205 VanDerWaalsContact O-N 3.12Å; E202-V206 PolarHBondContact O-N 3.11Å; E202-V206 VanDerWaalsContact O-N 3.17Å; E202-A227 HydrophobicContact CG-CB 4.04Å; E202-A227 WeakPolarHBondContact CG-O 3.22Å; E202-A227 WeakPolarHBondContact OE1-CA 3.49Å; E202-N230 HydrophobicContact CG-CB 4.28Å; E202-N230 PolarHBondContact OE1-ND2 3.03Å; E202-I231 HydrophobicContact CB-CG1 4.43Å; E202-I231 HydrophobicContact CG-CG1 4.43Å; E202-R240 IonicContact OE1-NH2 3.41Å; E202-R240 PolarHBondContact OE1-NH2 3.27Å; E202-R240 IonicContact OE2-CZ 3.57Å; E202-R240 IonicContact OE2-NE 3.07Å; E202-R240 PolarHBondContact OE2-NE 2.93Å; E202-R240 IonicContact OE2-NH2 3.7Å; E202-R240 PolarHBondContact OE2-NH2 3.08Å; E202-R240 VanDerWaalsContact OE2-NH2 3.11Å; E202-Y243 WeakPolarHBondContact OE1-CE1 3.44Å; E202-Y243 VanDerWaalsContact OE1-CZ 3.26Å; E202-Y243 PolarHBondContact OE1-OH 2.81Å; E202-M503 HydrophobicContact CB-CE 4.03Å; E202-M503 HydrophobicContact CG-CE 4.09Å
203	F	98	Very high	95.9	Very high	14 Å²	14	55.7 Å²	55.7	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-32.3	171.5	174.5	-105.2	0	0	0	113.2	I199 I200 E201 Y205 V206 K207 M503 S506 L507 S510	I199-F203 PolarHBondContact O-N 2.95Å; I200-F203 WeakPolarHBondContact O-CB 3.4Å; I200-F203 PolarHBondContact O-N 3.34Å; E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.41Å; F203-Y205 VanDerWaalsContact C-N 3.25Å; F203-Y205 PolarHBondContact O-N 3.31Å; F203-V206 HydrophobicContact CD2-CB 4.35Å; F203-V206 WeakPolarHBondContact O-CB 3.26Å; F203-V206 PolarHBondContact O-N 3.49Å; F203-K207 HydrophobicContact CE1-CB 4.16Å; F203-K207 HydrophobicContact CE1-CD 3.96Å; F203-K207 HydrophobicContact CE2-CB 4.45Å; F203-K207 HydrophobicContact CZ-CB 4.04Å; F203-K207 HydrophobicContact CZ-CD 4.17Å; F203-K207 HydrophobicContact CZ-CG 4.46Å; F203-K207 WeakPolarHBondContact O-CB 3.39Å; F203-K207 PolarHBondContact O-N 2.81Å; F203-M503 HydrophobicContact CB-SD 3.89Å; F203-M503 HydrophobicContact CD2-SD 4.29Å; F203-S506 VanDerWaalsContact CG-CB 3.5Å; F203-S506 VanDerWaalsContact CZ-C 3.42Å; F203-S506 WeakPolarHBondContact CZ-O 3.34Å; F203-L507 HydrophobicContact CD2-CG 4.49Å; F203-L507 HydrophobicContact CE2-CD2 3.97Å; F203-L507 HydrophobicContact CE2-CG 4.02Å; F203-S510 WeakPolarHBondContact CZ-OG 3.21Å
204	K	97.1	Very high	95.9	Very high	136 Å²	136	52.8 Å²	52.8	59%	0.591	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-38.6	176.1	-62.6	173.6	-175.6	172.8	0	111.3	I200 E201 E202 A208	I200-K204 PolarHBondContact O-N 2.92Å; E201-K204 VanDerWaalsContact O-CB 3.26Å; E201-K204 WeakPolarHBondContact O-CB 3.22Å; E201-K204 PolarHBondContact O-N 2.71Å; E202-K204 VanDerWaalsContact C-N 3.25Å; E202-K204 PolarHBondContact O-N 2.95Å; K204-A208 WeakPolarHBondContact O-CB 3.14Å; K204-A208 PolarHBondContact O-N 3.33Å
205	Y	97.6	Very high	95.7	Very high	89 Å²	89	56.5 Å²	56.5	35%	0.349	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-42.1	175.2	-63.2	-81.4	0	0	0	111.6	E201 E202 F203 K207 A208 E209 R240	E201-Y205 HydrophobicContact CG-CE2 4.11Å; E201-Y205 WeakPolarHBondContact O-CD2 3.25Å; E202-Y205 WeakPolarHBondContact O-CB 3.34Å; E202-Y205 PolarHBondContact O-N 3.28Å; E202-Y205 VanDerWaalsContact O-N 3.12Å; F203-Y205 VanDerWaalsContact C-N 3.25Å; F203-Y205 PolarHBondContact O-N 3.31Å; Y205-K207 PolarHBondContact O-N 3.32Å; Y205-A208 PolarHBondContact O-N 3.19Å; Y205-E209 WeakPolarHBondContact O-CB 3.33Å; Y205-E209 PolarHBondContact O-N 3Å; Y205-R240 VanDerWaalsContact CD2-NH2 3.27Å; Y205-R240 VanDerWaalsContact CG-NH2 3.33Å
206	V	98.1	Very high	95.8	Very high	1 Å²	1	62 Å²	62	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-49.3	173.3	175	0	0	0	0	111.2	E202 F203 A208 E209 M210 I223 I224 A227 Y243 M503 L507	E202-V206 PolarHBondContact O-N 3.11Å; E202-V206 VanDerWaalsContact O-N 3.17Å; F203-V206 HydrophobicContact CD2-CB 4.35Å; F203-V206 WeakPolarHBondContact O-CB 3.26Å; F203-V206 PolarHBondContact O-N 3.49Å; V206-A208 PolarHBondContact O-N 2.91Å; V206-E209 PolarHBondContact O-N 2.65Å; V206-M210 HydrophobicContact CG1-CE 3.86Å; V206-M210 HydrophobicContact CG1-CG 4.32Å; V206-M210 HydrophobicContact CG1-SD 3.96Å; V206-M210 WeakPolarHBondContact O-CB 3.42Å; V206-M210 WeakPolarHBondContact O-CG 3.44Å; V206-M210 PolarHBondContact O-N 2.58Å; V206-I223 HydrophobicContact CB-CG2 4.37Å; V206-I223 HydrophobicContact CG1-CG2 3.95Å; V206-I223 HydrophobicContact CG2-CG2 4.35Å; V206-I224 HydrophobicContact CG1-CD1 4.47Å; V206-A227 HydrophobicContact CG2-CB 3.36Å; V206-Y243 WeakPolarHBondContact CG2-OH 2.91Å; V206-M503 HydrophobicContact CG2-CE 4.5Å; V206-L507 HydrophobicContact CG1-CD2 4.03Å
207	K	97.4	Very high	95.9	Very high	71 Å²	71	64.2 Å²	64.2	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-47.3	179.1	-177.3	169.3	-175.3	158.8	0	111.1	F203 Y205 Q211 S510 F511	F203-K207 HydrophobicContact CE1-CB 4.16Å; F203-K207 HydrophobicContact CE1-CD 3.96Å; F203-K207 HydrophobicContact CE2-CB 4.45Å; F203-K207 HydrophobicContact CZ-CB 4.04Å; F203-K207 HydrophobicContact CZ-CD 4.17Å; F203-K207 HydrophobicContact CZ-CG 4.46Å; F203-K207 WeakPolarHBondContact O-CB 3.39Å; F203-K207 PolarHBondContact O-N 2.81Å; Y205-K207 PolarHBondContact O-N 3.32Å; K207-Q211 WeakPolarHBondContact O-CB 3.21Å; K207-Q211 WeakPolarHBondContact O-CG 3.48Å; K207-Q211 PolarHBondContact O-N 3.05Å; K207-S510 PolarHBondContact NZ-OG 3.33Å; K207-F511 HydrophobicContact CB-CE2 4.47Å; K207-F511 HydrophobicContact CG-CE2 4.1Å; K207-F511 HydrophobicContact CG-CZ 3.81Å
208	A	97.2	Very high	95.9	Very high	48 Å²	48	60.6 Å²	60.6	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-42.5	177.7	0	0	0	0	0	112.1	K204 Y205 V206 Q211 K212	K204-A208 WeakPolarHBondContact O-CB 3.14Å; K204-A208 PolarHBondContact O-N 3.33Å; Y205-A208 PolarHBondContact O-N 3.19Å; V206-A208 PolarHBondContact O-N 2.91Å; A208-Q211 PolarHBondContact O-N 3.25Å; A208-K212 WeakPolarHBondContact O-CG 3.41Å; A208-K212 PolarHBondContact O-N 3.32Å
209	E	96.8	Very high	96	Very high	39 Å²	39	58.7 Å²	58.7	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-68.2	-43.9	179.9	-166.3	65.1	-169.7	0	0	112	Y205 V206 Q211 K212 I223 Y243	Y205-E209 WeakPolarHBondContact O-CB 3.33Å; Y205-E209 PolarHBondContact O-N 3Å; V206-E209 PolarHBondContact O-N 2.65Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; E209-Q211 PolarHBondContact O-N 3.43Å; E209-K212 WeakPolarHBondContact O-CB 3.46Å; E209-K212 PolarHBondContact O-N 3.11Å; E209-K212 WeakPolarHBondContact OE2-CE 3.14Å; E209-K212 IonicContact OE2-NZ 2.74Å; E209-K212 PolarHBondContact OE2-NZ 3.35Å; E209-I223 HydrophobicContact CB-CD1 4.29Å; E209-I223 HydrophobicContact CB-CG2 4.22Å; E209-I223 HydrophobicContact CG-CD1 3.75Å; E209-I223 HydrophobicContact CG-CG1 3.85Å; E209-I223 HydrophobicContact CG-CG2 4.36Å; E209-Y243 HydrophobicContact CB-CD2 4.25Å; E209-Y243 HydrophobicContact CG-CD2 4.18Å
210	M	96.9	Very high	96	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-40.2	175.7	-73.2	-173.4	171.8	0	0	111.7	V206 K212 H213 F218 I223 I224 L507 F511 F513 I541	V206-M210 HydrophobicContact CG1-CE 3.86Å; V206-M210 HydrophobicContact CG1-CG 4.32Å; V206-M210 HydrophobicContact CG1-SD 3.96Å; V206-M210 WeakPolarHBondContact O-CB 3.42Å; V206-M210 WeakPolarHBondContact O-CG 3.44Å; V206-M210 PolarHBondContact O-N 2.58Å; M210-K212 PolarHBondContact O-N 3Å; M210-H213 PolarHBondContact O-N 3.48Å; M210-H213 VanDerWaalsContact O-N 3.12Å; M210-F218 HydrophobicContact CB-CZ 4.25Å; M210-F218 HydrophobicContact CG-CE2 4.15Å; M210-F218 HydrophobicContact CG-CZ 3.88Å; M210-F218 HydrophobicContact SD-CZ 4.4Å; M210-I223 HydrophobicContact CE-CG2 4.42Å; M210-I223 HydrophobicContact CG-CD1 4.07Å; M210-I223 HydrophobicContact CG-CG2 4.39Å; M210-I224 HydrophobicContact CE-CD1 3.85Å; M210-L507 HydrophobicContact CE-CD2 3.82Å; M210-L507 HydrophobicContact SD-CD2 3.71Å; M210-F511 HydrophobicContact CB-CE2 4.43Å; M210-F511 HydrophobicContact CB-CZ 4.3Å; M210-F511 HydrophobicContact SD-CE2 4.31Å; M210-F513 HydrophobicContact SD-CE1 4.24Å; M210-F513 HydrophobicContact SD-CZ 4.39Å; M210-I541 HydrophobicContact CB-CD1 3.92Å; M210-I541 VanDerWaalsContact O-CD1 3.25Å; M210-I541 WeakPolarHBondContact O-CD1 3.25Å
211	Q	96.1	Very high	95.9	Very high	62 Å²	62	59.1 Å²	59.1	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-23	179	-78.3	176.2	-16.1	0	0	114.2	K207 A208 E209 H213 G214 F511	K207-Q211 WeakPolarHBondContact O-CB 3.21Å; K207-Q211 WeakPolarHBondContact O-CG 3.48Å; K207-Q211 PolarHBondContact O-N 3.05Å; A208-Q211 PolarHBondContact O-N 3.25Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; E209-Q211 PolarHBondContact O-N 3.43Å; Q211-H213 PolarHBondContact O-N 3.32Å; Q211-G214 PolarHBondContact O-N 3.47Å; Q211-F511 HydrophobicContact CG-CE1 3.94Å; Q211-F511 HydrophobicContact CG-CZ 3.91Å
212	K	96.1	Very high	95.9	Very high	147 Å²	147	57.5 Å²	57.5	64%	0.639	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.8	175.1	-68.5	172	-174.4	172.3	0	112.6	A208 E209 M210 G214	A208-K212 WeakPolarHBondContact O-CG 3.41Å; A208-K212 PolarHBondContact O-N 3.32Å; E209-K212 WeakPolarHBondContact O-CB 3.46Å; E209-K212 PolarHBondContact O-N 3.11Å; E209-K212 WeakPolarHBondContact OE2-CE 3.14Å; E209-K212 IonicContact OE2-NZ 2.74Å; E209-K212 PolarHBondContact OE2-NZ 3.35Å; M210-K212 PolarHBondContact O-N 3Å; K212-G214 VanDerWaalsContact C-N 3.33Å
213	H	94.9	Very high	95.8	Very high	63 Å²	63	57.3 Å²	57.3	29%	0.292	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.1	177.2	-65.8	-73.8	0	0	0	113	M210 Q211 E215 D216 F218	M210-H213 PolarHBondContact O-N 3.48Å; M210-H213 VanDerWaalsContact O-N 3.12Å; Q211-H213 PolarHBondContact O-N 3.32Å; H213-E215 PolarHBondContact O-N 2.96Å; H213-D216 VanDerWaalsContact O-CB 3.31Å; H213-D216 WeakPolarHBondContact O-CB 3.26Å; H213-D216 PolarHBondContact O-N 2.97Å; H213-F218 HydrophobicContact CB-CB 4.28Å; H213-F218 HydrophobicContact CB-CD1 3.56Å; H213-F218 HydrophobicContact CB-CE1 4.13Å; H213-F218 HydrophobicContact CB-CG 4.05Å; H213-F218 AromaticContact CD2-CD1 3.9Å; H213-F218 AromaticContact CD2-CD2 3.83Å; H213-F218 AromaticContact CD2-CG 3.59Å; H213-F218 AromaticContact CG-CD1 3.68Å; H213-F218 AromaticContact CG-CG 3.62Å; H213-F218 WeakPolarHBondContact ND1-CB 3.47Å; H213-F218 AromaticContact NE2-CG 3.97Å
214	G	90.4	Very high	95.8	Very high	35 Å²	35	56.8 Å²	56.8	36%	0.361	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-124.8	-176.2	0	0	0	0	0	111.4	Q211 K212 I541	Q211-G214 PolarHBondContact O-N 3.47Å; K212-G214 VanDerWaalsContact C-N 3.33Å; G214-I541 WeakPolarHBondContact O-CG1 3.45Å
215	E	88.2	Confident	95.8	Very high	156 Å²	156	51.2 Å²	51.2	73%	0.729	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.6	175.6	-61.6	-172.3	170.9	0	0	113	H213 T540	H213-E215 PolarHBondContact O-N 2.96Å; E215-T540 WeakPolarHBondContact O-CG2 3.49Å
216	D	94.7	Very high	95.8	Very high	116 Å²	116	47.1 Å²	47.1	62%	0.62	26%	0.257	S	S	*	.	S	Bend	trans	-71.1	139.9	-178	-68.2	-34.2	0	0	0	111.4	H213 F218	H213-D216 VanDerWaalsContact O-CB 3.31Å; H213-D216 WeakPolarHBondContact O-CB 3.26Å; H213-D216 PolarHBondContact O-N 2.97Å; D216-F218 PolarHBondContact O-N 3.14Å
217	P	95.9	Very high	95.8	Very high	68 Å²	68	47.1 Å²	47.1	44%	0.442	26%	0.258	S	S	.	.			trans	-58.3	130.4	173	-27.3	36.2	0	0	0	112.9	P516 N538 I539 T540	P217-P516 HydrophobicContact CB-CB 4.28Å; P217-P516 HydrophobicContact CB-CG 3.71Å; P217-P516 HydrophobicContact CG-CB 3.92Å; P217-P516 HydrophobicContact CG-CG 3.89Å; P217-N538 HydrophobicContact CB-CB 4.19Å; P217-I539 WeakPolarHBondContact CA-O 3.42Å; P217-T540 HydrophobicContact CB-CG2 4.34Å; P217-T540 HydrophobicContact CG-CG2 3.86Å
218	F	96.6	Very high	95.8	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-140.3	159.4	175	71.7	-85.6	0	0	0	112.9	M210 H213 D216 P220 I223 N538 I539 I541	M210-F218 HydrophobicContact CB-CZ 4.25Å; M210-F218 HydrophobicContact CG-CE2 4.15Å; M210-F218 HydrophobicContact CG-CZ 3.88Å; M210-F218 HydrophobicContact SD-CZ 4.4Å; H213-F218 HydrophobicContact CB-CB 4.28Å; H213-F218 HydrophobicContact CB-CD1 3.56Å; H213-F218 HydrophobicContact CB-CE1 4.13Å; H213-F218 HydrophobicContact CB-CG 4.05Å; H213-F218 AromaticContact CD2-CD1 3.9Å; H213-F218 AromaticContact CD2-CD2 3.83Å; H213-F218 AromaticContact CD2-CG 3.59Å; H213-F218 AromaticContact CG-CD1 3.68Å; H213-F218 AromaticContact CG-CG 3.62Å; H213-F218 WeakPolarHBondContact ND1-CB 3.47Å; H213-F218 AromaticContact NE2-CG 3.97Å; D216-F218 PolarHBondContact O-N 3.14Å; F218-P220 HydrophobicContact CE2-CB 4.27Å; F218-I223 HydrophobicContact CD2-CD1 4.1Å; F218-I223 HydrophobicContact CE2-CD1 3.85Å; F218-N538 CarbonylContact O-C 2.93Å; F218-N538 VanDerWaalsContact O-CA 3.23Å; F218-N538 WeakPolarHBondContact O-CA 3.35Å; F218-I539 HydrophobicContact CE1-CG1 4.28Å; F218-I539 HydrophobicContact CE2-CG1 4.37Å; F218-I539 HydrophobicContact CZ-CD1 4.28Å; F218-I539 HydrophobicContact CZ-CG1 4.08Å; F218-I539 PolarHBondContact N-O 3.33Å; F218-I539 PolarHBondContact O-N 3.15Å; F218-I541 HydrophobicContact CE1-CD1 4.28Å; F218-I541 HydrophobicContact CE1-CG1 4.31Å; F218-I541 HydrophobicContact CE1-CG2 3.89Å; F218-I541 HydrophobicContact CZ-CG2 4.04Å
219	C	95.8	Very high	95.8	Very high	49 Å²	49	41.5 Å²	41.5	33%	0.331	22%	0.224	S	C	.	.			trans	-91.3	118.2	177.3	-179	0	0	0	0	110	F221 N538	C219-F221 VanDerWaalsContact C-N 3.28Å; C219-F221 PolarHBondContact O-N 3.11Å; C219-F221 WeakPolarHBondContact SG-CD2 3.36Å; C219-N538 PolarHBondContact N-OD1 2.82Å
220	P	96.8	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.			trans	-77.2	-8.3	-173.4	31.4	-37.1	0	0	0	114.3	F218 S222 I223 I224 L362 L365 F537 I539	F218-P220 HydrophobicContact CE2-CB 4.27Å; P220-S222 PolarHBondContact O-N 3.31Å; P220-I223 PolarHBondContact O-N 2.98Å; P220-I224 HydrophobicContact CB-CG1 4.29Å; P220-I224 WeakPolarHBondContact O-CG1 3.37Å; P220-I224 PolarHBondContact O-N 3.35Å; P220-L362 HydrophobicContact CB-CD2 4.04Å; P220-L362 HydrophobicContact CG-CD2 3.75Å; P220-L365 HydrophobicContact CB-CD1 4.01Å; P220-L365 HydrophobicContact CG-CD1 4.37Å; P220-F537 WeakPolarHBondContact CD-O 3.37Å; P220-F537 HydrophobicContact CG-CE2 3.89Å; P220-F537 HydrophobicContact CG-CZ 3.82Å; P220-I539 HydrophobicContact CB-CD1 3.92Å; P220-I539 HydrophobicContact CG-CD1 3.89Å; P220-I539 HydrophobicContact CG-CG1 4.43Å
221	F	95.9	Very high	95.9	Very high	36 Å²	36	39.9 Å²	39.9	16%	0.158	22%	0.217	C	C	.	.	H	α-helix	trans	-55.4	-49.7	-169.2	-84	-110.6	0	0	0	113.6	C219 S225 L362 P534 F537	C219-F221 VanDerWaalsContact C-N 3.28Å; C219-F221 PolarHBondContact O-N 3.11Å; C219-F221 WeakPolarHBondContact SG-CD2 3.36Å; F221-S225 WeakPolarHBondContact O-CB 3.06Å; F221-S225 PolarHBondContact O-N 3.05Å; F221-L362 HydrophobicContact CB-CD1 4.48Å; F221-L362 HydrophobicContact CD1-CD1 3.48Å; F221-L362 VanDerWaalsContact CD1-CD1 3.48Å; F221-L362 HydrophobicContact CD2-CD1 4.15Å; F221-L362 HydrophobicContact CD2-CD2 4.06Å; F221-L362 HydrophobicContact CE1-CD1 3.61Å; F221-L362 HydrophobicContact CE2-CD1 4.26Å; F221-L362 HydrophobicContact CE2-CD2 4.41Å; F221-L362 HydrophobicContact CG-CD1 3.79Å; F221-L362 HydrophobicContact CG-CD2 4.26Å; F221-L362 HydrophobicContact CZ-CD1 4.02Å; F221-P534 HydrophobicContact CE1-CG 4.39Å; F221-P534 HydrophobicContact CZ-CB 4.3Å; F221-P534 HydrophobicContact CZ-CG 3.78Å; F221-P534 WeakPolarHBondContact CZ-O 3.41Å; F221-F537 AromaticContact CE2-CD1 3.74Å; F221-F537 HydrophobicContact CE2-CD1 3.74Å; F221-F537 AromaticContact CE2-CE1 3.71Å; F221-F537 HydrophobicContact CE2-CE1 3.71Å; F221-F537 HydrophobicContact CZ-CD1 4.4Å; F221-F537 HydrophobicContact CZ-CE1 4.32Å
222	S	95.2	Very high	95.9	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-36.4	-177.7	54.3	0	0	0	0	112.5	P220 N226	P220-S222 PolarHBondContact O-N 3.31Å; S222-N226 VanDerWaalsContact O-CB 3.31Å; S222-N226 WeakPolarHBondContact O-CB 3.5Å; S222-N226 PolarHBondContact O-N 2.81Å; S222-N226 PolarHBondContact O-OD1 2.87Å; S222-N226 VanDerWaalsContact O-OD1 3.11Å
223	I	97.1	Very high	95.9	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-51.4	-178.8	-55.7	179.9	0	0	0	109.4	V206 E209 M210 F218 P220 A227 Y243	V206-I223 HydrophobicContact CB-CG2 4.37Å; V206-I223 HydrophobicContact CG1-CG2 3.95Å; V206-I223 HydrophobicContact CG2-CG2 4.35Å; E209-I223 HydrophobicContact CB-CD1 4.29Å; E209-I223 HydrophobicContact CB-CG2 4.22Å; E209-I223 HydrophobicContact CG-CD1 3.75Å; E209-I223 HydrophobicContact CG-CG1 3.85Å; E209-I223 HydrophobicContact CG-CG2 4.36Å; M210-I223 HydrophobicContact CE-CG2 4.42Å; M210-I223 HydrophobicContact CG-CD1 4.07Å; M210-I223 HydrophobicContact CG-CG2 4.39Å; F218-I223 HydrophobicContact CD2-CD1 4.1Å; F218-I223 HydrophobicContact CE2-CD1 3.85Å; P220-I223 PolarHBondContact O-N 2.98Å; I223-A227 WeakPolarHBondContact O-CB 3.35Å; I223-A227 PolarHBondContact O-N 3.11Å; I223-A227 VanDerWaalsContact O-N 3.08Å; I223-Y243 HydrophobicContact CG2-CE2 4.07Å
224	I	98.1	Very high	95.9	Very high	3 Å²	3	28 Å²	28	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-42	-179.5	-59.9	-57	0	0	0	111	V206 M210 P220 A227 V228 T358 L361 L362 L365 L507	V206-I224 HydrophobicContact CG1-CD1 4.47Å; M210-I224 HydrophobicContact CE-CD1 3.85Å; P220-I224 HydrophobicContact CB-CG1 4.29Å; P220-I224 WeakPolarHBondContact O-CG1 3.37Å; P220-I224 PolarHBondContact O-N 3.35Å; I224-A227 PolarHBondContact O-N 2.99Å; I224-V228 HydrophobicContact CG2-CG2 4.32Å; I224-V228 WeakPolarHBondContact O-CG2 3.34Å; I224-V228 PolarHBondContact O-N 3.37Å; I224-T358 HydrophobicContact CG2-CG2 4.2Å; I224-L361 HydrophobicContact CG2-CB 3.75Å; I224-L361 HydrophobicContact CG2-CD1 4.04Å; I224-L362 HydrophobicContact CB-CD2 4.09Å; I224-L362 HydrophobicContact CB-CG 4.4Å; I224-L362 HydrophobicContact CG1-CD2 4.01Å; I224-L362 HydrophobicContact CG2-CD2 4.47Å; I224-L362 HydrophobicContact CG2-CG 4.29Å; I224-L365 HydrophobicContact CD1-CD1 4.06Å; I224-L365 HydrophobicContact CG1-CD1 3.97Å; I224-L507 HydrophobicContact CD1-CD1 4.36Å
225	S	97.1	Very high	96.2	Very high	20 Å²	20	26.3 Å²	26.3	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-45.7	179.3	-170.3	0	0	0	0	111.8	F221 A227 S229 T358	F221-S225 WeakPolarHBondContact O-CB 3.06Å; F221-S225 PolarHBondContact O-N 3.05Å; S225-A227 PolarHBondContact O-N 2.94Å; S225-S229 VanDerWaalsContact O-CB 3.26Å; S225-S229 WeakPolarHBondContact O-CB 3.4Å; S225-S229 PolarHBondContact O-N 3.35Å; S225-S229 PolarHBondContact O-OG 2.88Å; S225-T358 WeakPolarHBondContact CA-OG1 3.38Å
226	N	97.4	Very high	96.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-46.6	175.1	-88.9	65.9	0	0	0	112	S222 S229 N230 Y243 L252	S222-N226 VanDerWaalsContact O-CB 3.31Å; S222-N226 WeakPolarHBondContact O-CB 3.5Å; S222-N226 PolarHBondContact O-N 2.81Å; S222-N226 PolarHBondContact O-OD1 2.87Å; S222-N226 VanDerWaalsContact O-OD1 3.11Å; N226-S229 PolarHBondContact O-N 2.94Å; N226-N230 WeakPolarHBondContact O-CB 3.38Å; N226-N230 PolarHBondContact O-N 3.25Å; N226-Y243 HydrophobicContact CB-CD1 4.03Å; N226-Y243 HydrophobicContact CB-CD2 4.39Å; N226-Y243 HydrophobicContact CB-CE1 3.98Å; N226-Y243 HydrophobicContact CB-CE2 4.34Å; N226-Y243 HydrophobicContact CB-CG 4.25Å; N226-L252 HydrophobicContact CB-CD1 4.47Å; N226-L252 WeakPolarHBondContact OD1-CD1 3.02Å
227	A	97.8	Very high	96.6	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-53.1	-177.9	0	0	0	0	0	112.7	E202 V206 I223 I224 S225 S229 N230 I231 Y243 M503	E202-A227 HydrophobicContact CG-CB 4.04Å; E202-A227 WeakPolarHBondContact CG-O 3.22Å; E202-A227 WeakPolarHBondContact OE1-CA 3.49Å; V206-A227 HydrophobicContact CG2-CB 3.36Å; I223-A227 WeakPolarHBondContact O-CB 3.35Å; I223-A227 PolarHBondContact O-N 3.11Å; I223-A227 VanDerWaalsContact O-N 3.08Å; I224-A227 PolarHBondContact O-N 2.99Å; S225-A227 PolarHBondContact O-N 2.94Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 3.26Å; A227-N230 PolarHBondContact O-N 2.77Å; A227-I231 PolarHBondContact O-N 3.31Å; A227-Y243 WeakPolarHBondContact CA-OH 3.22Å; A227-Y243 VanDerWaalsContact CB-OH 3.24Å; A227-Y243 WeakPolarHBondContact CB-OH 3.41Å; A227-M503 HydrophobicContact CB-CE 4.03Å
228	V	97.3	Very high	96.5	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-43	178.5	171.3	0	0	0	0	110.8	I224 N230 I231 I232 G353 T357 L361	I224-V228 HydrophobicContact CG2-CG2 4.32Å; I224-V228 WeakPolarHBondContact O-CG2 3.34Å; I224-V228 PolarHBondContact O-N 3.37Å; V228-N230 VanDerWaalsContact C-N 3.29Å; V228-N230 PolarHBondContact O-N 3.28Å; V228-I231 PolarHBondContact O-N 3.07Å; V228-I232 PolarHBondContact O-N 3.06Å; V228-G353 WeakPolarHBondContact CG1-O 3.49Å; V228-T357 HydrophobicContact CG1-CG2 3.96Å; V228-T357 HydrophobicContact CG2-CG2 4.02Å; V228-L361 HydrophobicContact CG2-CD1 3.71Å
229	S	97.6	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-40.1	178.8	-54.5	0	0	0	0	111.7	S225 N226 A227 I231 I232 C233 L252 T354	S225-S229 VanDerWaalsContact O-CB 3.26Å; S225-S229 WeakPolarHBondContact O-CB 3.4Å; S225-S229 PolarHBondContact O-N 3.35Å; S225-S229 PolarHBondContact O-OG 2.88Å; N226-S229 PolarHBondContact O-N 2.94Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 3.26Å; S229-I231 VanDerWaalsContact C-N 3.29Å; S229-I231 PolarHBondContact O-N 3.4Å; S229-I232 WeakPolarHBondContact O-CG2 3.49Å; S229-I232 PolarHBondContact O-N 2.97Å; S229-C233 VanDerWaalsContact O-CB 3.3Å; S229-C233 WeakPolarHBondContact O-CB 3.23Å; S229-C233 PolarHBondContact O-N 2.9Å; S229-C233 PolarHBondContact O-SG 2.86Å; S229-L252 WeakPolarHBondContact OG-CD2 3.42Å; S229-T354 WeakPolarHBondContact OG-CG2 3.45Å; S229-T354 PolarHBondContact OG-OG1 3.26Å
230	N	97.8	Very high	96.3	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-33	178.3	-83	-21.3	0	0	0	113	E202 N226 A227 V228 S234 R240 F241	E202-N230 HydrophobicContact CG-CB 4.28Å; E202-N230 PolarHBondContact OE1-ND2 3.03Å; N226-N230 WeakPolarHBondContact O-CB 3.38Å; N226-N230 PolarHBondContact O-N 3.25Å; A227-N230 PolarHBondContact O-N 2.77Å; V228-N230 VanDerWaalsContact C-N 3.29Å; V228-N230 PolarHBondContact O-N 3.28Å; N230-S234 WeakPolarHBondContact O-CB 3.44Å; N230-S234 PolarHBondContact O-N 3.01Å; N230-R240 HydrophobicContact CB-CB 4.39Å; N230-F241 PolarHBondContact ND2-O 3.34Å; N230-F241 PolarHBondContact OD1-N 3.38Å; N230-F241 PolarHBondContact OD1-O 3.17Å
231	I	96.8	Very high	96.3	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-51.6	176.3	-64.4	162.7	0	0	0	109.7	I199 E202 A227 V228 S229 S234 L235 L495 E499 M503	I199-I231 HydrophobicContact CB-CD1 4.43Å; I199-I231 HydrophobicContact CG1-CD1 4.01Å; I199-I231 HydrophobicContact CG1-CG1 4.34Å; I199-I231 HydrophobicContact CG1-CG2 4.27Å; I199-I231 HydrophobicContact CG2-CD1 4.17Å; E202-I231 HydrophobicContact CB-CG1 4.43Å; E202-I231 HydrophobicContact CG-CG1 4.43Å; A227-I231 PolarHBondContact O-N 3.31Å; V228-I231 PolarHBondContact O-N 3.07Å; S229-I231 VanDerWaalsContact C-N 3.29Å; S229-I231 PolarHBondContact O-N 3.4Å; I231-S234 PolarHBondContact O-N 2.98Å; I231-S234 PolarHBondContact O-OG 3.33Å; I231-L235 PolarHBondContact O-N 2.76Å; I231-L495 HydrophobicContact CG2-CD1 4.29Å; I231-E499 HydrophobicContact CD1-CG 3.94Å; I231-E499 WeakPolarHBondContact CD1-OE2 3.23Å; I231-E499 HydrophobicContact CG2-CG 4.16Å; I231-E499 WeakPolarHBondContact CG2-OE1 3.29Å; I231-M503 HydrophobicContact CD1-CE 3.9Å
232	I	96.2	Very high	96.2	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-69.8	-34.8	179	-169.3	61.5	0	0	0	112.5	V228 S229 S234 L235 C236 F350 L495	V228-I232 PolarHBondContact O-N 3.06Å; S229-I232 WeakPolarHBondContact O-CG2 3.49Å; S229-I232 PolarHBondContact O-N 2.97Å; I232-S234 VanDerWaalsContact C-N 3.31Å; I232-S234 PolarHBondContact O-N 3.02Å; I232-L235 HydrophobicContact CD1-CD1 4.41Å; I232-L235 PolarHBondContact O-N 2.9Å; I232-C236 WeakPolarHBondContact O-CB 3.24Å; I232-C236 PolarHBondContact O-N 3.05Å; I232-C236 PolarHBondContact O-SG 2.98Å; I232-F350 HydrophobicContact CG2-CD2 4.07Å; I232-L495 HydrophobicContact CD1-CD2 4.14Å
233	C	96.9	Very high	96.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-38	172.2	-72.6	0	0	0	0	111.8	S229 L235 C236 F237 G238 Q239 F241 F350	S229-C233 VanDerWaalsContact O-CB 3.3Å; S229-C233 WeakPolarHBondContact O-CB 3.23Å; S229-C233 PolarHBondContact O-N 2.9Å; S229-C233 PolarHBondContact O-SG 2.86Å; C233-L235 PolarHBondContact O-N 3.23Å; C233-C236 PolarHBondContact O-N 3.48Å; C233-F237 HydrophobicContact CB-CD2 3.88Å; C233-F237 HydrophobicContact CB-CE2 4.4Å; C233-F237 CarbonylContact O-C 3.58Å; C233-F237 WeakPolarHBondContact O-CA 3.26Å; C233-F237 WeakPolarHBondContact O-CB 3.33Å; C233-F237 PolarHBondContact O-N 3.17Å; C233-F237 VanDerWaalsContact SG-CD2 3.57Å; C233-F237 VanDerWaalsContact SG-CE2 3.52Å; C233-G238 PolarHBondContact O-N 3.32Å; C233-Q239 CarbonylContact C-O 3.42Å; C233-Q239 VanDerWaalsContact C-O 3.28Å; C233-Q239 WeakPolarHBondContact CB-O 2.86Å; C233-F241 HydrophobicContact CB-CD2 4.38Å; C233-F241 HydrophobicContact CB-CE2 4.18Å; C233-F350 WeakPolarHBondContact SG-CE2 3.49Å
234	S	95.3	Very high	95.9	Very high	17 Å²	17	22.1 Å²	22.1	12%	0.119	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-23.6	177.3	81.9	0	0	0	0	113.5	N230 I231 I232 Q239	N230-S234 WeakPolarHBondContact O-CB 3.44Å; N230-S234 PolarHBondContact O-N 3.01Å; I231-S234 PolarHBondContact O-N 2.98Å; I231-S234 PolarHBondContact O-OG 3.33Å; I232-S234 VanDerWaalsContact C-N 3.31Å; I232-S234 PolarHBondContact O-N 3.02Å; S234-Q239 PolarHBondContact N-O 2.95Å
235	L	95.3	Very high	95.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-89.2	-34.2	176.5	-64.1	176.1	0	0	0	111.9	L185 F188 L195 I231 I232 C233 F317 L495	L185-L235 HydrophobicContact CD2-CB 4.23Å; F188-L235 HydrophobicContact CB-CD2 3.65Å; F188-L235 WeakPolarHBondContact O-CD2 3.45Å; L195-L235 HydrophobicContact CD1-CD2 3.86Å; L195-L235 HydrophobicContact CD1-CG 4.48Å; L195-L235 HydrophobicContact CD2-CD1 4.16Å; I231-L235 PolarHBondContact O-N 2.76Å; I232-L235 HydrophobicContact CD1-CD1 4.41Å; I232-L235 PolarHBondContact O-N 2.9Å; C233-L235 PolarHBondContact O-N 3.23Å; L235-F317 WeakPolarHBondContact O-CB 3.38Å; L235-F317 PolarHBondContact O-N 3.42Å; L235-L495 HydrophobicContact CD1-CD1 4.33Å; L235-L495 HydrophobicContact CD1-CD2 3.9Å
236	C	96.1	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-96.3	-36.2	-173	-62.5	0	0	0	0	113.8	I232 C233 I318 I346	I232-C236 WeakPolarHBondContact O-CB 3.24Å; I232-C236 PolarHBondContact O-N 3.05Å; I232-C236 PolarHBondContact O-SG 2.98Å; C233-C236 PolarHBondContact O-N 3.48Å; C236-I318 WeakPolarHBondContact O-CD1 3.3Å; C236-I318 VanDerWaalsContact O-CG1 3.26Å; C236-I318 WeakPolarHBondContact O-CG1 3.33Å; C236-I318 PolarHBondContact O-N 3.21Å; C236-I346 HydrophobicContact CB-CD1 3.95Å
237	F	96.1	Very high	95.3	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	18%	0.183	C	C	.	.	S	Bend	trans	-121.5	3.4	-169.5	-49.9	-20.7	0	0	0	113.1	C233 Q239 F241 F297 L298 I301 H305 I318 I346 F350	C233-F237 HydrophobicContact CB-CD2 3.88Å; C233-F237 HydrophobicContact CB-CE2 4.4Å; C233-F237 CarbonylContact O-C 3.58Å; C233-F237 WeakPolarHBondContact O-CA 3.26Å; C233-F237 WeakPolarHBondContact O-CB 3.33Å; C233-F237 PolarHBondContact O-N 3.17Å; C233-F237 VanDerWaalsContact SG-CD2 3.57Å; C233-F237 VanDerWaalsContact SG-CE2 3.52Å; F237-Q239 HydrophobicContact CB-CG 3.95Å; F237-Q239 WeakPolarHBondContact O-CG 3.43Å; F237-Q239 PolarHBondContact O-N 3.34Å; F237-F241 HydrophobicContact CD2-CE2 4.08Å; F237-F241 HydrophobicContact CD2-CZ 4.46Å; F237-F297 HydrophobicContact CE2-CE1 4.35Å; F237-L298 HydrophobicContact CZ-CD2 3.89Å; F237-I301 HydrophobicContact CB-CG2 4.08Å; F237-I301 HydrophobicContact CD1-CG2 3.89Å; F237-I301 HydrophobicContact CD2-CG2 4.34Å; F237-I301 HydrophobicContact CE1-CG2 4.47Å; F237-I301 HydrophobicContact CG-CG2 3.86Å; F237-H305 PolarHBondContact O-CE1 2.99Å; F237-H305 PolarHBondContact O-NE2 3.11Å; F237-I318 HydrophobicContact CD1-CD1 3.77Å; F237-I318 HydrophobicContact CE1-CD1 4.38Å; F237-I346 HydrophobicContact CE1-CD1 4.3Å; F237-I346 HydrophobicContact CE1-CG2 3.54Å; F237-I346 HydrophobicContact CZ-CG2 4.17Å; F237-F350 HydrophobicContact CE2-CD1 4.5Å; F237-F350 HydrophobicContact CE2-CD2 4.15Å; F237-F350 HydrophobicContact CE2-CE2 4.35Å; F237-F350 HydrophobicContact CE2-CG 4.26Å; F237-F350 HydrophobicContact CZ-CB 4.02Å; F237-F350 HydrophobicContact CZ-CD1 4.18Å; F237-F350 HydrophobicContact CZ-CD2 4.13Å; F237-F350 AromaticContact CZ-CG 3.85Å; F237-F350 HydrophobicContact CZ-CG 3.85Å
238	G	94.1	Very high	95.1	Very high	36 Å²	36	32.5 Å²	32.5	37%	0.371	18%	0.182	S	C	.	.	S	Bend	trans	64.9	5.8	-178.9	0	0	0	0	0	115.3	C233 D316	C233-G238 PolarHBondContact O-N 3.32Å; G238-D316 VanDerWaalsContact CA-OD2 3.23Å; G238-D316 WeakPolarHBondContact CA-OD2 3.33Å; G238-D316 PolarHBondContact N-OD2 3.39Å
239	Q	93.3	Very high	94.9	Very high	72 Å²	72	36.4 Å²	36.4	34%	0.336	20%	0.199	S	C	.	.			trans	-138.6	160	-169.3	72	-172	-55.9	0	0	113.5	C233 S234 F237 F241	C233-Q239 CarbonylContact C-O 3.42Å; C233-Q239 VanDerWaalsContact C-O 3.28Å; C233-Q239 WeakPolarHBondContact CB-O 2.86Å; S234-Q239 PolarHBondContact N-O 2.95Å; F237-Q239 HydrophobicContact CB-CG 3.95Å; F237-Q239 WeakPolarHBondContact O-CG 3.43Å; F237-Q239 PolarHBondContact O-N 3.34Å; Q239-F241 HydrophobicContact CG-CE2 4.07Å; Q239-F241 HydrophobicContact CG-CZ 3.99Å
240	R	94.8	Very high	94.7	Very high	81 Å²	81	42.4 Å²	42.4	31%	0.306	23%	0.225	S	C	.	.			trans	-113.8	152.1	169.4	76.9	-179.7	-62.7	-83.7	0.9	110.6	E202 Y205 N230	E202-R240 IonicContact OE1-NH2 3.41Å; E202-R240 PolarHBondContact OE1-NH2 3.27Å; E202-R240 IonicContact OE2-CZ 3.57Å; E202-R240 IonicContact OE2-NE 3.07Å; E202-R240 PolarHBondContact OE2-NE 2.93Å; E202-R240 IonicContact OE2-NH2 3.7Å; E202-R240 PolarHBondContact OE2-NH2 3.08Å; E202-R240 VanDerWaalsContact OE2-NH2 3.11Å; Y205-R240 VanDerWaalsContact CD2-NH2 3.27Å; Y205-R240 VanDerWaalsContact CG-NH2 3.33Å; N230-R240 HydrophobicContact CB-CB 4.39Å
241	F	95.7	Very high	94.6	Very high	18 Å²	18	42.7 Å²	42.7	8%	0.079	23%	0.227	C	C	.	.			trans	-107.9	136.5	175.1	-61.9	-86.3	0	0	0	110.9	N230 C233 F237 Q239 F248 F297 I301	N230-F241 PolarHBondContact ND2-O 3.34Å; N230-F241 PolarHBondContact OD1-N 3.38Å; N230-F241 PolarHBondContact OD1-O 3.17Å; C233-F241 HydrophobicContact CB-CD2 4.38Å; C233-F241 HydrophobicContact CB-CE2 4.18Å; F237-F241 HydrophobicContact CD2-CE2 4.08Å; F237-F241 HydrophobicContact CD2-CZ 4.46Å; Q239-F241 HydrophobicContact CG-CE2 4.07Å; Q239-F241 HydrophobicContact CG-CZ 3.99Å; F241-F248 HydrophobicContact CB-CB 4.03Å; F241-F248 HydrophobicContact CB-CD1 3.46Å; F241-F248 VanDerWaalsContact CB-CD1 3.46Å; F241-F248 HydrophobicContact CB-CD2 4Å; F241-F248 HydrophobicContact CB-CE1 3.78Å; F241-F248 HydrophobicContact CB-CE2 4.29Å; F241-F248 HydrophobicContact CB-CG 3.57Å; F241-F248 HydrophobicContact CB-CZ 4.17Å; F241-F248 HydrophobicContact CD1-CB 4.29Å; F241-F248 HydrophobicContact CD1-CD2 4.01Å; F241-F248 HydrophobicContact CD1-CG 4.17Å; F241-F248 HydrophobicContact CD2-CD1 4.27Å; F241-F248 AromaticContact CD2-CD2 3.53Å; F241-F248 HydrophobicContact CD2-CD2 3.53Å; F241-F248 HydrophobicContact CD2-CE1 4.02Å; F241-F248 AromaticContact CD2-CE2 3.25Å; F241-F248 HydrophobicContact CD2-CE2 3.25Å; F241-F248 HydrophobicContact CD2-CG 4.03Å; F241-F248 AromaticContact CD2-CZ 3.5Å; F241-F248 HydrophobicContact CD2-CZ 3.5Å; F241-F248 VanDerWaalsContact CD2-CZ 3.5Å; F241-F248 HydrophobicContact CE1-CD2 4.4Å; F241-F248 AromaticContact CE2-CD2 3.97Å; F241-F248 HydrophobicContact CE2-CD2 3.97Å; F241-F248 AromaticContact CE2-CE2 3.62Å; F241-F248 HydrophobicContact CE2-CE2 3.62Å; F241-F248 HydrophobicContact CE2-CZ 4.22Å; F241-F248 HydrophobicContact CG-CB 4.19Å; F241-F248 AromaticContact CG-CD1 3.98Å; F241-F248 HydrophobicContact CG-CD1 3.98Å; F241-F248 AromaticContact CG-CD2 3.55Å; F241-F248 HydrophobicContact CG-CD2 3.55Å; F241-F248 HydrophobicContact CG-CE1 4.17Å; F241-F248 AromaticContact CG-CE2 3.78Å; F241-F248 HydrophobicContact CG-CE2 3.78Å; F241-F248 AromaticContact CG-CG 3.65Å; F241-F248 HydrophobicContact CG-CG 3.65Å; F241-F248 HydrophobicContact CG-CZ 4.07Å; F241-F248 HydrophobicContact CZ-CD2 4.39Å; F241-F248 HydrophobicContact CZ-CE2 4.41Å; F241-F297 HydrophobicContact CE1-CZ 4.28Å; F241-F297 HydrophobicContact CE2-CZ 4.44Å; F241-F297 AromaticContact CZ-CZ 3.9Å; F241-F297 HydrophobicContact CZ-CZ 3.9Å; F241-I301 HydrophobicContact CZ-CD1 4.38Å
242	D	94.9	Very high	94.5	Very high	76 Å²	76	43 Å²	43	41%	0.406	23%	0.228	S	C	.	.			trans	-65.8	149.7	177.5	-169.4	-94.2	0	0	0	112	T244 N245	D242-T244 PolarHBondContact O-N 3.06Å; D242-T244 VanDerWaalsContact OD1-CB 3.3Å; D242-T244 WeakPolarHBondContact OD1-CB 3.39Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.38Å; D242-T244 PolarHBondContact OD1-N 3.37Å; D242-T244 PolarHBondContact OD1-OG1 3.16Å; D242-N245 VanDerWaalsContact O-CB 3.24Å; D242-N245 WeakPolarHBondContact O-CB 3.35Å; D242-N245 PolarHBondContact O-N 3.15Å
243	Y	93.4	Very high	94.4	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.047	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.3	-177.1	-75.8	33.1	0	0	0	111.6	E202 V206 E209 I223 N226 A227 K249	E202-Y243 WeakPolarHBondContact OE1-CE1 3.44Å; E202-Y243 VanDerWaalsContact OE1-CZ 3.26Å; E202-Y243 PolarHBondContact OE1-OH 2.81Å; V206-Y243 WeakPolarHBondContact CG2-OH 2.91Å; E209-Y243 HydrophobicContact CB-CD2 4.25Å; E209-Y243 HydrophobicContact CG-CD2 4.18Å; I223-Y243 HydrophobicContact CG2-CE2 4.07Å; N226-Y243 HydrophobicContact CB-CD1 4.03Å; N226-Y243 HydrophobicContact CB-CD2 4.39Å; N226-Y243 HydrophobicContact CB-CE1 3.98Å; N226-Y243 HydrophobicContact CB-CE2 4.34Å; N226-Y243 HydrophobicContact CB-CG 4.25Å; A227-Y243 WeakPolarHBondContact CA-OH 3.22Å; A227-Y243 VanDerWaalsContact CB-OH 3.24Å; A227-Y243 WeakPolarHBondContact CB-OH 3.41Å; Y243-K249 WeakPolarHBondContact O-CE 3.43Å; Y243-K249 PolarHBondContact O-NZ 3.15Å
244	T	92.4	Very high	94.2	Very high	112 Å²	112	46.9 Å²	46.9	69%	0.687	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.8	172.6	65.9	0	0	0	0	112.8	D242 S246	D242-T244 PolarHBondContact O-N 3.06Å; D242-T244 VanDerWaalsContact OD1-CB 3.3Å; D242-T244 WeakPolarHBondContact OD1-CB 3.39Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.38Å; D242-T244 PolarHBondContact OD1-N 3.37Å; D242-T244 PolarHBondContact OD1-OG1 3.16Å; T244-S246 PolarHBondContact O-N 3.09Å
245	N	94.5	Very high	94.1	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	25%	0.252	S	S	.	.			trans	-64.8	109.1	-178.6	-172.6	-42.8	0	0	0	110.9	D242 E247 F248 K249	D242-N245 VanDerWaalsContact O-CB 3.24Å; D242-N245 WeakPolarHBondContact O-CB 3.35Å; D242-N245 PolarHBondContact O-N 3.15Å; N245-E247 WeakPolarHBondContact OD1-CB 3.48Å; N245-E247 PolarHBondContact OD1-N 3.31Å; N245-F248 HydrophobicContact CB-CB 4.09Å; N245-F248 PolarHBondContact OD1-N 3.37Å; N245-K249 WeakPolarHBondContact O-CG 3.37Å; N245-K249 PolarHBondContact O-N 3.01Å
246	S	92.8	Very high	94	Very high	96 Å²	96	47.7 Å²	47.7	67%	0.671	26%	0.262	S	S	*	.	H	α-helix	trans	-72.5	-33.2	-176	58.2	0	0	0	0	113	T244 K250	T244-S246 PolarHBondContact O-N 3.09Å; S246-K250 VanDerWaalsContact O-CB 3.26Å; S246-K250 WeakPolarHBondContact O-CB 3.22Å; S246-K250 PolarHBondContact O-N 2.79Å
247	E	92.6	Very high	93.9	Very high	96 Å²	96	51.6 Å²	51.6	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-47.6	175.6	-174.8	-178.6	-176.4	0	0	110.2	N245 K250 M251	N245-E247 WeakPolarHBondContact OD1-CB 3.48Å; N245-E247 PolarHBondContact OD1-N 3.31Å; E247-K250 WeakPolarHBondContact O-CB 2.99Å; E247-K250 PolarHBondContact O-N 2.74Å; E247-M251 PolarHBondContact O-N 2.98Å
248	F	94.3	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-47.6	178.7	-167.7	-115.7	0	0	0	111.6	F241 N245 K250 M251 L252 F297 F350	F241-F248 HydrophobicContact CB-CB 4.03Å; F241-F248 HydrophobicContact CB-CD1 3.46Å; F241-F248 VanDerWaalsContact CB-CD1 3.46Å; F241-F248 HydrophobicContact CB-CD2 4Å; F241-F248 HydrophobicContact CB-CE1 3.78Å; F241-F248 HydrophobicContact CB-CE2 4.29Å; F241-F248 HydrophobicContact CB-CG 3.57Å; F241-F248 HydrophobicContact CB-CZ 4.17Å; F241-F248 HydrophobicContact CD1-CB 4.29Å; F241-F248 HydrophobicContact CD1-CD2 4.01Å; F241-F248 HydrophobicContact CD1-CG 4.17Å; F241-F248 HydrophobicContact CD2-CD1 4.27Å; F241-F248 AromaticContact CD2-CD2 3.53Å; F241-F248 HydrophobicContact CD2-CD2 3.53Å; F241-F248 HydrophobicContact CD2-CE1 4.02Å; F241-F248 AromaticContact CD2-CE2 3.25Å; F241-F248 HydrophobicContact CD2-CE2 3.25Å; F241-F248 HydrophobicContact CD2-CG 4.03Å; F241-F248 AromaticContact CD2-CZ 3.5Å; F241-F248 HydrophobicContact CD2-CZ 3.5Å; F241-F248 VanDerWaalsContact CD2-CZ 3.5Å; F241-F248 HydrophobicContact CE1-CD2 4.4Å; F241-F248 AromaticContact CE2-CD2 3.97Å; F241-F248 HydrophobicContact CE2-CD2 3.97Å; F241-F248 AromaticContact CE2-CE2 3.62Å; F241-F248 HydrophobicContact CE2-CE2 3.62Å; F241-F248 HydrophobicContact CE2-CZ 4.22Å; F241-F248 HydrophobicContact CG-CB 4.19Å; F241-F248 AromaticContact CG-CD1 3.98Å; F241-F248 HydrophobicContact CG-CD1 3.98Å; F241-F248 AromaticContact CG-CD2 3.55Å; F241-F248 HydrophobicContact CG-CD2 3.55Å; F241-F248 HydrophobicContact CG-CE1 4.17Å; F241-F248 AromaticContact CG-CE2 3.78Å; F241-F248 HydrophobicContact CG-CE2 3.78Å; F241-F248 AromaticContact CG-CG 3.65Å; F241-F248 HydrophobicContact CG-CG 3.65Å; F241-F248 HydrophobicContact CG-CZ 4.07Å; F241-F248 HydrophobicContact CZ-CD2 4.39Å; F241-F248 HydrophobicContact CZ-CE2 4.41Å; N245-F248 HydrophobicContact CB-CB 4.09Å; N245-F248 PolarHBondContact OD1-N 3.37Å; F248-K250 VanDerWaalsContact C-N 3.26Å; F248-K250 PolarHBondContact O-N 3.29Å; F248-M251 WeakPolarHBondContact O-CA 3.19Å; F248-M251 VanDerWaalsContact O-CB 3.23Å; F248-M251 WeakPolarHBondContact O-CB 3.29Å; F248-M251 PolarHBondContact O-N 2.9Å; F248-L252 HydrophobicContact CD1-CD1 4.07Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.86Å; F248-L252 HydrophobicContact CE1-CD2 4.17Å; F248-L252 HydrophobicContact CE1-CG 4.23Å; F248-L252 HydrophobicContact CE2-CD2 4.33Å; F248-L252 HydrophobicContact CZ-CD2 4.01Å; F248-L252 WeakPolarHBondContact O-CG 3.45Å; F248-L252 PolarHBondContact O-N 3.08Å; F248-F297 HydrophobicContact CD2-CZ 4.03Å; F248-F297 HydrophobicContact CE2-CZ 4.37Å; F248-F350 HydrophobicContact CE2-CE2 4.09Å; F248-F350 AromaticContact CE2-CZ 3.68Å; F248-F350 HydrophobicContact CE2-CZ 3.68Å; F248-F350 HydrophobicContact CZ-CE2 4.2Å; F248-F350 HydrophobicContact CZ-CZ 4.14Å
249	K	93.2	Very high	93.7	Very high	82 Å²	82	51.4 Å²	51.4	36%	0.357	27%	0.269	S	S	.	.	H	α-helix	trans	-54.8	-42.2	174.2	-81.3	-178.9	167.9	167.1	0	112.8	Y243 N245 M251 L252 G253	Y243-K249 WeakPolarHBondContact O-CE 3.43Å; Y243-K249 PolarHBondContact O-NZ 3.15Å; N245-K249 WeakPolarHBondContact O-CG 3.37Å; N245-K249 PolarHBondContact O-N 3.01Å; K249-M251 VanDerWaalsContact C-N 3.34Å; K249-L252 PolarHBondContact O-N 2.86Å; K249-G253 PolarHBondContact O-N 2.94Å; K249-G253 VanDerWaalsContact O-N 3.07Å
250	K	92.8	Very high	93.6	Very high	127 Å²	127	50.6 Å²	50.6	55%	0.552	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-40.8	177.1	-173.6	178.5	176.4	-172.8	0	111.1	S246 E247 F248 G253 F254	S246-K250 VanDerWaalsContact O-CB 3.26Å; S246-K250 WeakPolarHBondContact O-CB 3.22Å; S246-K250 PolarHBondContact O-N 2.79Å; E247-K250 WeakPolarHBondContact O-CB 2.99Å; E247-K250 PolarHBondContact O-N 2.74Å; F248-K250 VanDerWaalsContact C-N 3.26Å; F248-K250 PolarHBondContact O-N 3.29Å; K250-G253 PolarHBondContact O-N 3.28Å; K250-F254 HydrophobicContact CD-CE2 4.09Å; K250-F254 HydrophobicContact CD-CZ 4.14Å; K250-F254 VanDerWaalsContact CE-CE2 3.48Å; K250-F254 HydrophobicContact CG-CD2 4.21Å; K250-F254 HydrophobicContact CG-CE1 4.37Å; K250-F254 HydrophobicContact CG-CE2 3.75Å; K250-F254 HydrophobicContact CG-CZ 3.86Å; K250-F254 WeakPolarHBondContact O-CG 3.01Å; K250-F254 PolarHBondContact O-N 3.25Å
251	M	94.6	Very high	93.3	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-48.9	173.8	-171.6	56.6	51.7	0	0	111.9	E247 F248 K249 G253 F254 M255 I294 F297 F350	E247-M251 PolarHBondContact O-N 2.98Å; F248-M251 WeakPolarHBondContact O-CA 3.19Å; F248-M251 VanDerWaalsContact O-CB 3.23Å; F248-M251 WeakPolarHBondContact O-CB 3.29Å; F248-M251 PolarHBondContact O-N 2.9Å; K249-M251 VanDerWaalsContact C-N 3.34Å; M251-G253 VanDerWaalsContact C-N 3.31Å; M251-G253 PolarHBondContact O-N 3.45Å; M251-F254 WeakPolarHBondContact O-CB 3.49Å; M251-F254 PolarHBondContact O-N 3.08Å; M251-F254 VanDerWaalsContact O-N 3.1Å; M251-M255 HydrophobicContact CG-SD 4.04Å; M251-M255 VanDerWaalsContact O-CG 3.28Å; M251-M255 WeakPolarHBondContact O-CG 3.39Å; M251-M255 PolarHBondContact O-N 3.47Å; M251-I294 HydrophobicContact SD-CB 4.15Å; M251-I294 HydrophobicContact SD-CG1 3.56Å; M251-I294 VanDerWaalsContact SD-CG1 3.56Å; M251-F297 HydrophobicContact CE-CB 3.24Å; M251-F297 HydrophobicContact CE-CD1 4.11Å; M251-F297 HydrophobicContact CE-CD2 4.02Å; M251-F297 HydrophobicContact CE-CG 3.54Å; M251-F297 HydrophobicContact CG-CD1 4.07Å; M251-F297 HydrophobicContact CG-CE1 4.28Å; M251-F297 HydrophobicContact CG-CG 4.32Å; M251-F297 HydrophobicContact SD-CB 4.19Å; M251-F297 HydrophobicContact SD-CD1 4.23Å; M251-F297 HydrophobicContact SD-CG 4.26Å; M251-F350 HydrophobicContact CG-CE1 4.1Å
252	L	94.8	Very high	92.9	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-41.1	178.1	-57.2	-174.4	0	0	0	111.9	N226 S229 F248 K249 M255 S256 F350 T354	N226-L252 HydrophobicContact CB-CD1 4.47Å; N226-L252 WeakPolarHBondContact OD1-CD1 3.02Å; S229-L252 WeakPolarHBondContact OG-CD2 3.42Å; F248-L252 HydrophobicContact CD1-CD1 4.07Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.86Å; F248-L252 HydrophobicContact CE1-CD2 4.17Å; F248-L252 HydrophobicContact CE1-CG 4.23Å; F248-L252 HydrophobicContact CE2-CD2 4.33Å; F248-L252 HydrophobicContact CZ-CD2 4.01Å; F248-L252 WeakPolarHBondContact O-CG 3.45Å; F248-L252 PolarHBondContact O-N 3.08Å; K249-L252 PolarHBondContact O-N 2.86Å; L252-M255 HydrophobicContact CD2-CE 4.49Å; L252-M255 HydrophobicContact CD2-SD 4.02Å; L252-M255 PolarHBondContact O-N 3.46Å; L252-S256 PolarHBondContact O-N 3.23Å; L252-S256 VanDerWaalsContact O-N 3.11Å; L252-F350 HydrophobicContact CD2-CE2 4.49Å; L252-F350 HydrophobicContact CD2-CZ 4Å; L252-T354 HydrophobicContact CD2-CG2 4.08Å
253	G	93.8	Very high	92.4	Very high	40 Å²	40	46.6 Å²	46.6	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-43.4	173.5	0	0	0	0	0	112.8	K249 K250 M251 R257	K249-G253 PolarHBondContact O-N 2.94Å; K249-G253 VanDerWaalsContact O-N 3.07Å; K250-G253 PolarHBondContact O-N 3.28Å; M251-G253 VanDerWaalsContact C-N 3.31Å; M251-G253 PolarHBondContact O-N 3.45Å; G253-R257 WeakPolarHBondContact O-CB 3.21Å; G253-R257 PolarHBondContact O-N 3.15Å
254	F	94.3	Very high	92	Very high	46 Å²	46	48.7 Å²	48.7	20%	0.202	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-38.6	176.3	-71.3	-23.7	0	0	0	113.2	K250 M251 R257 G258 I290 D293	K250-F254 HydrophobicContact CD-CE2 4.09Å; K250-F254 HydrophobicContact CD-CZ 4.14Å; K250-F254 VanDerWaalsContact CE-CE2 3.48Å; K250-F254 HydrophobicContact CG-CD2 4.21Å; K250-F254 HydrophobicContact CG-CE1 4.37Å; K250-F254 HydrophobicContact CG-CE2 3.75Å; K250-F254 HydrophobicContact CG-CZ 3.86Å; K250-F254 WeakPolarHBondContact O-CG 3.01Å; K250-F254 PolarHBondContact O-N 3.25Å; M251-F254 WeakPolarHBondContact O-CB 3.49Å; M251-F254 PolarHBondContact O-N 3.08Å; M251-F254 VanDerWaalsContact O-N 3.1Å; F254-R257 PolarHBondContact O-N 3.45Å; F254-G258 PolarHBondContact O-N 2.86Å; F254-I290 HydrophobicContact CB-CG1 4.3Å; F254-I290 HydrophobicContact CB-CG2 4.2Å; F254-I290 HydrophobicContact CD1-CG1 4.09Å; F254-I290 HydrophobicContact CG-CG1 4.32Å; F254-I290 WeakPolarHBondContact O-CG2 3.27Å; F254-D293 HydrophobicContact CD2-CB 3.88Å; F254-D293 HydrophobicContact CE2-CB 3.73Å; F254-D293 WeakPolarHBondContact CE2-OD2 3.42Å
255	M	93.2	Very high	91.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-52.3	176.4	-67.6	162.1	55.1	0	0	111.1	M251 L252 R257 G258 L259 I294 F350 I351 T354	M251-M255 HydrophobicContact CG-SD 4.04Å; M251-M255 VanDerWaalsContact O-CG 3.28Å; M251-M255 WeakPolarHBondContact O-CG 3.39Å; M251-M255 PolarHBondContact O-N 3.47Å; L252-M255 HydrophobicContact CD2-CE 4.49Å; L252-M255 HydrophobicContact CD2-SD 4.02Å; L252-M255 PolarHBondContact O-N 3.46Å; M255-R257 VanDerWaalsContact C-N 3.33Å; M255-R257 PolarHBondContact O-N 3.08Å; M255-G258 PolarHBondContact O-N 2.86Å; M255-L259 WeakPolarHBondContact O-CG 3.44Å; M255-L259 PolarHBondContact O-N 3.45Å; M255-L259 VanDerWaalsContact O-N 3.12Å; M255-I294 HydrophobicContact CG-CD1 4.17Å; M255-F350 HydrophobicContact CE-CD1 3.93Å; M255-F350 HydrophobicContact CE-CD2 4.47Å; M255-F350 HydrophobicContact CE-CE1 3.82Å; M255-F350 HydrophobicContact CE-CE2 4.33Å; M255-F350 HydrophobicContact CE-CG 4.26Å; M255-F350 HydrophobicContact CE-CZ 4.02Å; M255-F350 HydrophobicContact SD-CD1 3.86Å; M255-F350 HydrophobicContact SD-CE1 3.27Å; M255-F350 WeakPolarHBondContact SD-CE1 3.43Å; M255-F350 HydrophobicContact SD-CZ 3.66Å; M255-I351 HydrophobicContact CE-CB 4.22Å; M255-I351 HydrophobicContact CE-CG1 3.87Å; M255-I351 HydrophobicContact CG-CG1 4.17Å; M255-T354 HydrophobicContact CE-CG2 3.83Å
256	S	93.1	Very high	91.1	Very high	31 Å²	31	47.3 Å²	47.3	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-43.8	178.2	-170.9	0	0	0	0	111.4	L252 G258 L259 E260 D355	L252-S256 PolarHBondContact O-N 3.23Å; L252-S256 VanDerWaalsContact O-N 3.11Å; S256-G258 PolarHBondContact O-N 3.25Å; S256-L259 PolarHBondContact O-N 3.34Å; S256-E260 PolarHBondContact O-N 3.49Å; S256-D355 PolarHBondContact OG-OD1 3.4Å
257	R	93.9	Very high	90.9	Very high	82 Å²	82	42.8 Å²	42.8	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-66	-38.4	178.1	-177.2	56.3	179.1	156.7	10.5	112.6	G253 F254 M255 E260 I261 E286 I290	G253-R257 WeakPolarHBondContact O-CB 3.21Å; G253-R257 PolarHBondContact O-N 3.15Å; F254-R257 PolarHBondContact O-N 3.45Å; M255-R257 VanDerWaalsContact C-N 3.33Å; M255-R257 PolarHBondContact O-N 3.08Å; R257-E260 IonicContact NH1-OE1 2.58Å; R257-E260 PolarHBondContact NH1-OE1 3.04Å; R257-E260 IonicContact NH1-OE2 3.5Å; R257-E260 PolarHBondContact O-N 3.44Å; R257-I261 HydrophobicContact CG-CD1 3.68Å; R257-I261 HydrophobicContact CG-CG1 4.24Å; R257-I261 VanDerWaalsContact O-CG1 3.26Å; R257-I261 WeakPolarHBondContact O-CG1 3.4Å; R257-I261 PolarHBondContact O-N 2.92Å; R257-E286 IonicContact CZ-OE1 3.41Å; R257-E286 IonicContact CZ-OE2 3.57Å; R257-E286 IonicContact NE-OE1 2.94Å; R257-E286 PolarHBondContact NE-OE1 3.36Å; R257-E286 IonicContact NE-OE2 3.95Å; R257-E286 IonicContact NH2-OE1 2.72Å; R257-E286 PolarHBondContact NH2-OE1 3.03Å; R257-E286 IonicContact NH2-OE2 3.43Å; R257-E286 PolarHBondContact NH2-OE2 3Å; R257-I290 HydrophobicContact CB-CD1 4.2Å; R257-I290 HydrophobicContact CG-CD1 3.84Å
258	G	92.8	Very high	90.7	Very high	10 Å²	10	39.6 Å²	39.6	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-43.8	176.2	0	0	0	0	0	112.1	F254 M255 S256 E260 I261 C262	F254-G258 PolarHBondContact O-N 2.86Å; M255-G258 PolarHBondContact O-N 2.86Å; S256-G258 PolarHBondContact O-N 3.25Å; G258-E260 VanDerWaalsContact C-N 3.29Å; G258-E260 PolarHBondContact O-N 2.88Å; G258-I261 PolarHBondContact O-N 3.09Å; G258-C262 PolarHBondContact O-N 2.79Å; G258-C262 PolarHBondContact O-SG 2.98Å
259	L	92.4	Very high	90.4	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-32.7	176.5	-66.1	174.7	0	0	0	112.9	M255 S256 I351 D355 G529 L530 T531	M255-L259 WeakPolarHBondContact O-CG 3.44Å; M255-L259 PolarHBondContact O-N 3.45Å; M255-L259 VanDerWaalsContact O-N 3.12Å; S256-L259 PolarHBondContact O-N 3.34Å; L259-I351 HydrophobicContact CD1-CG2 3.9Å; L259-I351 HydrophobicContact CD2-CG2 4.15Å; L259-I351 HydrophobicContact CG-CG2 4.26Å; L259-D355 HydrophobicContact CD1-CB 3.58Å; L259-D355 WeakPolarHBondContact CD1-OD2 3.5Å; L259-G529 WeakPolarHBondContact O-CA 3.49Å; L259-L530 HydrophobicContact CB-CB 4.33Å; L259-L530 HydrophobicContact CD2-CB 4.05Å; L259-L530 HydrophobicContact CD2-CD2 3.72Å; L259-L530 PolarHBondContact O-N 3.33Å; L259-T531 HydrophobicContact CD1-CG2 4.36Å
260	E	90.9	Very high	90.3	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-70.7	-48.1	173.2	-162.7	-172.2	127.3	0	0	111.9	S256 R257 G258 C262 L263 R527	S256-E260 PolarHBondContact O-N 3.49Å; R257-E260 IonicContact NH1-OE1 2.58Å; R257-E260 PolarHBondContact NH1-OE1 3.04Å; R257-E260 IonicContact NH1-OE2 3.5Å; R257-E260 PolarHBondContact O-N 3.44Å; G258-E260 VanDerWaalsContact C-N 3.29Å; G258-E260 PolarHBondContact O-N 2.88Å; E260-C262 VanDerWaalsContact C-N 3.35Å; E260-C262 PolarHBondContact O-N 3.07Å; E260-L263 PolarHBondContact O-N 3.08Å; E260-R527 IonicContact OE2-CZ 3.53Å; E260-R527 IonicContact OE2-NH1 3.56Å; E260-R527 PolarHBondContact OE2-NH1 3.2Å
261	I	89.4	Confident	90.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-35	-175.5	-69.6	169.3	0	0	0	112.3	R257 G258 L263 N264 V267 P283 E286 L287 I290	R257-I261 HydrophobicContact CG-CD1 3.68Å; R257-I261 HydrophobicContact CG-CG1 4.24Å; R257-I261 VanDerWaalsContact O-CG1 3.26Å; R257-I261 WeakPolarHBondContact O-CG1 3.4Å; R257-I261 PolarHBondContact O-N 2.92Å; G258-I261 PolarHBondContact O-N 3.09Å; I261-L263 PolarHBondContact O-N 3.43Å; I261-L263 VanDerWaalsContact O-N 3.08Å; I261-N264 WeakPolarHBondContact O-CB 3.44Å; I261-N264 PolarHBondContact O-N 3.35Å; I261-V267 HydrophobicContact CG2-CG2 3.74Å; I261-V267 WeakPolarHBondContact O-CB 3.48Å; I261-P283 HydrophobicContact CG2-CB 4.37Å; I261-E286 HydrophobicContact CD1-CB 4.21Å; I261-E286 HydrophobicContact CD1-CG 3.6Å; I261-E286 WeakPolarHBondContact CD1-OE1 3.45Å; I261-E286 WeakPolarHBondContact CD1-OE2 3.28Å; I261-L287 HydrophobicContact CG2-CB 4.12Å; I261-L287 HydrophobicContact CG2-CD1 4.35Å; I261-I290 HydrophobicContact CD1-CD1 3.68Å
262	C	85.9	Confident	89.9	Confident	35 Å²	35	32.8 Å²	32.8	24%	0.236	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.2	-178.1	-77.6	0	0	0	0	113.8	G258 E260	G258-C262 PolarHBondContact O-N 2.79Å; G258-C262 PolarHBondContact O-SG 2.98Å; E260-C262 VanDerWaalsContact C-N 3.35Å; E260-C262 PolarHBondContact O-N 3.07Å
263	L	85.2	Confident	89.7	Confident	56 Å²	56	34.5 Å²	34.5	29%	0.293	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.9	175.4	-59.7	-167.9	0	0	0	113.7	E260 I261 S265 L268 F528 G529	E260-L263 PolarHBondContact O-N 3.08Å; I261-L263 PolarHBondContact O-N 3.43Å; I261-L263 VanDerWaalsContact O-N 3.08Å; L263-S265 PolarHBondContact O-N 3.33Å; L263-L268 HydrophobicContact CD2-CD2 4.34Å; L263-F528 HydrophobicContact CB-CE1 4.26Å; L263-F528 HydrophobicContact CD1-CD1 4.3Å; L263-F528 HydrophobicContact CD1-CE1 3.41Å; L263-F528 VanDerWaalsContact CD1-CE1 3.41Å; L263-F528 HydrophobicContact CD1-CZ 3.79Å; L263-F528 HydrophobicContact CG-CE1 4.49Å; L263-G529 VanDerWaalsContact CD1-O 3.24Å; L263-G529 WeakPolarHBondContact CD1-O 3.42Å
264	N	85.2	Confident	89.7	Confident	56 Å²	56	35.3 Å²	35.3	30%	0.299	19%	0.191	S	C	.	.			trans	-61.2	134.8	172	-176.8	-75.8	0	0	0	110.7	I261 Q266 V267 L268	I261-N264 WeakPolarHBondContact O-CB 3.44Å; I261-N264 PolarHBondContact O-N 3.35Å; N264-Q266 PolarHBondContact O-N 2.8Å; N264-Q266 VanDerWaalsContact O-N 3.11Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.45Å; N264-Q266 PolarHBondContact OD1-N 3.13Å; N264-V267 HydrophobicContact CB-CB 4.18Å; N264-V267 HydrophobicContact CB-CG2 4.05Å; N264-V267 PolarHBondContact O-N 2.63Å; N264-L268 WeakPolarHBondContact O-CG 3.45Å; N264-L268 PolarHBondContact O-N 3.4Å
265	S	83.1	Confident	89.7	Confident	42 Å²	42	40.8 Å²	40.8	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.3	-178	61	0	0	0	0	114.6	L263	L263-S265 PolarHBondContact O-N 3.33Å
266	Q	85.1	Confident	89.6	Confident	93 Å²	93	41.9 Å²	41.9	44%	0.435	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.2	177.2	-60.6	178.8	0.5	0	0	111.1	N264 M269 P283 F284	N264-Q266 PolarHBondContact O-N 2.8Å; N264-Q266 VanDerWaalsContact O-N 3.11Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.45Å; N264-Q266 PolarHBondContact OD1-N 3.13Å; Q266-M269 VanDerWaalsContact O-CB 3.26Å; Q266-M269 WeakPolarHBondContact O-CB 3.35Å; Q266-M269 PolarHBondContact O-N 2.91Å; Q266-M269 VanDerWaalsContact O-N 3.16Å; Q266-P283 HydrophobicContact CB-CG 4.07Å; Q266-P283 VanDerWaalsContact OE1-CD 3.29Å; Q266-F284 HydrophobicContact CB-CZ 4.23Å; Q266-F284 WeakPolarHBondContact O-CE1 3.46Å; Q266-F284 WeakPolarHBondContact O-CZ 3.07Å
267	V	88.3	Confident	89.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68.5	-36.7	179.4	176.3	0	0	0	0	111.4	L155 I261 N264 M269 V270 P283 F284 L287	L155-V267 HydrophobicContact CD1-CG1 3.97Å; L155-V267 HydrophobicContact CD2-CG1 3.89Å; I261-V267 HydrophobicContact CG2-CG2 3.74Å; I261-V267 WeakPolarHBondContact O-CB 3.48Å; N264-V267 HydrophobicContact CB-CB 4.18Å; N264-V267 HydrophobicContact CB-CG2 4.05Å; N264-V267 PolarHBondContact O-N 2.63Å; V267-M269 PolarHBondContact O-N 3.29Å; V267-M269 VanDerWaalsContact O-N 3.08Å; V267-V270 WeakPolarHBondContact O-CB 3.43Å; V267-V270 WeakPolarHBondContact O-CG2 3.47Å; V267-V270 PolarHBondContact O-N 3.43Å; V267-P283 HydrophobicContact CG2-CB 3.75Å; V267-P283 HydrophobicContact CG2-CG 4.08Å; V267-F284 HydrophobicContact CG2-CD1 4.5Å; V267-L287 HydrophobicContact CG1-CD2 3.88Å
268	L	88.6	Confident	89.7	Confident	30 Å²	30	44.5 Å²	44.5	16%	0.157	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.8	-21	173.7	-70.7	176.5	0	0	0	113.1	F72 L263 N264 V270 N271	F72-L268 HydrophobicContact CE1-CB 4.31Å; F72-L268 HydrophobicContact CE1-CD1 3.92Å; F72-L268 HydrophobicContact CZ-CD1 4.04Å; L263-L268 HydrophobicContact CD2-CD2 4.34Å; N264-L268 WeakPolarHBondContact O-CG 3.45Å; N264-L268 PolarHBondContact O-N 3.4Å; L268-V270 PolarHBondContact O-N 3Å; L268-N271 WeakPolarHBondContact O-CB 3.47Å; L268-N271 PolarHBondContact O-N 2.89Å; L268-N271 VanDerWaalsContact O-N 3.15Å
269	M	87.9	Confident	89.8	Confident	13 Å²	13	45.7 Å²	45.7	6%	0.064	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-67.4	-17	172.8	-62	-67.2	89.8	0	0	113.5	F72 L76 Q266 V267 N271 I272 C273 L276	F72-M269 HydrophobicContact CB-CE 3.8Å; F72-M269 HydrophobicContact CD1-CE 3.48Å; F72-M269 VanDerWaalsContact CD1-CE 3.48Å; F72-M269 HydrophobicContact CE1-CE 4.35Å; F72-M269 HydrophobicContact CG-CE 3.89Å; L76-M269 HydrophobicContact CD2-SD 4.34Å; Q266-M269 VanDerWaalsContact O-CB 3.26Å; Q266-M269 WeakPolarHBondContact O-CB 3.35Å; Q266-M269 PolarHBondContact O-N 2.91Å; Q266-M269 VanDerWaalsContact O-N 3.16Å; V267-M269 PolarHBondContact O-N 3.29Å; V267-M269 VanDerWaalsContact O-N 3.08Å; M269-N271 PolarHBondContact O-N 2.57Å; M269-I272 HydrophobicContact CE-CD1 3.59Å; M269-I272 HydrophobicContact CE-CG1 4.35Å; M269-I272 PolarHBondContact O-N 3.41Å; M269-I272 HydrophobicContact SD-CD1 3.96Å; M269-C273 PolarHBondContact O-N 3.11Å; M269-L276 HydrophobicContact CB-CD1 3.51Å
270	V	91.8	Very high	89.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.2	169.9	174.7	0	0	0	0	111	P154 L155 I158 V267 L268 I272 C273 P274 L276 F284	P154-V270 HydrophobicContact CB-CG1 4.43Å; L155-V270 HydrophobicContact CB-CB 4.42Å; L155-V270 HydrophobicContact CB-CG1 4.17Å; L155-V270 HydrophobicContact CD1-CB 4.38Å; L155-V270 HydrophobicContact CD1-CG1 4.26Å; I158-V270 HydrophobicContact CD1-CG1 4.17Å; V267-V270 WeakPolarHBondContact O-CB 3.43Å; V267-V270 WeakPolarHBondContact O-CG2 3.47Å; V267-V270 PolarHBondContact O-N 3.43Å; L268-V270 PolarHBondContact O-N 3Å; V270-I272 PolarHBondContact O-N 3.04Å; V270-C273 CarbonylContact O-C 3.43Å; V270-P274 VanDerWaalsContact O-CA 3.24Å; V270-P274 WeakPolarHBondContact O-CA 3.17Å; V270-L276 HydrophobicContact CG2-CB 4.17Å; V270-F284 HydrophobicContact CG2-CD1 4.08Å; V270-F284 HydrophobicContact CG2-CE1 3.91Å
271	N	90.4	Very high	90	Very high	17 Å²	17	52 Å²	52	9%	0.091	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-69.4	-18.8	177.3	-64.3	-42.7	0	0	0	113.4	V153 L155 L268 M269	V153-N271 WeakPolarHBondContact CB-OD1 3.32Å; L155-N271 WeakPolarHBondContact CB-OD1 3.48Å; L155-N271 PolarHBondContact N-OD1 3.44Å; L268-N271 WeakPolarHBondContact O-CB 3.47Å; L268-N271 PolarHBondContact O-N 2.89Å; L268-N271 VanDerWaalsContact O-N 3.15Å; M269-N271 PolarHBondContact O-N 2.57Å
272	I	88.6	Confident	90.1	Very high	43 Å²	43	54.2 Å²	54.2	22%	0.221	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-46.4	175.7	-53.6	-177.3	0	0	0	110	I122 M269 V270	I122-I272 HydrophobicContact CG2-CD1 4.43Å; I122-I272 HydrophobicContact CG2-CG1 4.45Å; M269-I272 HydrophobicContact CE-CD1 3.59Å; M269-I272 HydrophobicContact CE-CG1 4.35Å; M269-I272 PolarHBondContact O-N 3.41Å; M269-I272 HydrophobicContact SD-CD1 3.96Å; V270-I272 PolarHBondContact O-N 3.04Å
273	C	90.8	Very high	90.4	Very high	46 Å²	46	53.3 Å²	53.3	31%	0.311	28%	0.278	S	S	.	.			trans	-124.7	87.7	-177.5	-67	0	0	0	0	109.5	M269 V270 W275 L276	M269-C273 PolarHBondContact O-N 3.11Å; V270-C273 CarbonylContact O-C 3.43Å; C273-W275 PolarHBondContact O-N 3.45Å; C273-W275 VanDerWaalsContact O-N 3.12Å; C273-L276 HydrophobicContact CB-CD1 3.77Å; C273-L276 HydrophobicContact CB-CG 3.86Å; C273-L276 WeakPolarHBondContact O-CB 3.24Å; C273-L276 WeakPolarHBondContact O-CG 3.29Å; C273-L276 PolarHBondContact O-N 3.4Å; C273-L276 VanDerWaalsContact O-N 3.08Å
274	P	92.8	Very high	90.8	Very high	56 Å²	56	51.4 Å²	51.4	36%	0.364	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.2	-31	-172.9	-28.1	35.9	0	0	0	114.6	P154 V270 L276 Y277	P154-P274 HydrophobicContact CB-CB 4.05Å; P154-P274 HydrophobicContact CB-CG 3.79Å; P154-P274 HydrophobicContact CG-CG 3.73Å; V270-P274 VanDerWaalsContact O-CA 3.24Å; V270-P274 WeakPolarHBondContact O-CA 3.17Å; P274-L276 PolarHBondContact O-N 3.33Å; P274-L276 VanDerWaalsContact O-N 3.13Å; P274-Y277 WeakPolarHBondContact O-CB 3.29Å; P274-Y277 PolarHBondContact O-N 3.32Å; P274-Y277 VanDerWaalsContact O-N 3.08Å
275	W	93.4	Very high	91.2	Very high	161 Å²	161	54.4 Å²	54.4	61%	0.61	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.9	179.8	63.7	-95.5	0	0	0	113.6	C273 Y277 Y278 L279	C273-W275 PolarHBondContact O-N 3.45Å; C273-W275 VanDerWaalsContact O-N 3.12Å; W275-Y277 PolarHBondContact O-N 3.18Å; W275-Y278 PolarHBondContact O-N 3.3Å; W275-L279 HydrophobicContact CE3-CD2 4.45Å; W275-L279 HydrophobicContact CZ3-CD1 4.12Å; W275-L279 HydrophobicContact CZ3-CD2 4.05Å; W275-L279 HydrophobicContact CZ3-CG 4.27Å
276	L	93	Very high	91.8	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.141	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-57.7	-31	174.7	-67.6	177.1	0	0	0	112	M269 V270 C273 P274 Y278 L279 F284	M269-L276 HydrophobicContact CB-CD1 3.51Å; V270-L276 HydrophobicContact CG2-CB 4.17Å; C273-L276 HydrophobicContact CB-CD1 3.77Å; C273-L276 HydrophobicContact CB-CG 3.86Å; C273-L276 WeakPolarHBondContact O-CB 3.24Å; C273-L276 WeakPolarHBondContact O-CG 3.29Å; C273-L276 PolarHBondContact O-N 3.4Å; C273-L276 VanDerWaalsContact O-N 3.08Å; P274-L276 PolarHBondContact O-N 3.33Å; P274-L276 VanDerWaalsContact O-N 3.13Å; L276-Y278 PolarHBondContact O-N 3.36Å; L276-Y278 VanDerWaalsContact O-N 3.12Å; L276-L279 HydrophobicContact CB-CD1 4.48Å; L276-L279 HydrophobicContact CD2-CD1 3.58Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-L279 VanDerWaalsContact O-N 3.13Å; L276-F284 HydrophobicContact CB-CD1 4.4Å; L276-F284 HydrophobicContact CB-CE1 3.89Å; L276-F284 HydrophobicContact CB-CZ 4Å; L276-F284 HydrophobicContact CD1-CZ 4.41Å; L276-F284 WeakPolarHBondContact O-CB 3.33Å; L276-F284 WeakPolarHBondContact O-CD1 3.36Å; L276-F284 WeakPolarHBondContact O-CG 3.36Å
277	Y	94	Very high	92.2	Very high	17 Å²	17	51.6 Å²	51.6	7%	0.067	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.1	177.7	172	-91.5	0	0	0	112.3	I158 V159 P274 W275 L287 R288 E291	I158-Y277 HydrophobicContact CD1-CD1 4.37Å; I158-Y277 HydrophobicContact CD1-CG 4.13Å; I158-Y277 HydrophobicContact CG2-CD1 3.88Å; I158-Y277 HydrophobicContact CG2-CD2 3.94Å; I158-Y277 HydrophobicContact CG2-CE1 3.56Å; I158-Y277 HydrophobicContact CG2-CE2 3.6Å; I158-Y277 HydrophobicContact CG2-CG 4.06Å; V159-Y277 HydrophobicContact CG2-CE2 4.47Å; P274-Y277 WeakPolarHBondContact O-CB 3.29Å; P274-Y277 PolarHBondContact O-N 3.32Å; P274-Y277 VanDerWaalsContact O-N 3.08Å; W275-Y277 PolarHBondContact O-N 3.18Å; Y277-L287 HydrophobicContact CD2-CD2 4.32Å; Y277-L287 HydrophobicContact CE2-CD2 4.26Å; Y277-R288 HydrophobicContact CD1-CG 4.42Å; Y277-R288 HydrophobicContact CD2-CG 4.44Å; Y277-R288 HydrophobicContact CE1-CG 3.81Å; Y277-R288 HydrophobicContact CE2-CG 3.85Å; Y277-R288 VanDerWaalsContact CZ-CG 3.5Å; Y277-R288 VanDerWaalsContact O-CD 3.28Å; Y277-R288 WeakPolarHBondContact O-CD 3.33Å; Y277-R288 PolarHBondContact O-NH1 3.37Å; Y277-E291 VanDerWaalsContact OH-CD 3.31Å; Y277-E291 PolarHBondContact OH-OE2 2.88Å
278	Y	94.5	Very high	92.5	Very high	152 Å²	152	54.3 Å²	54.3	60%	0.596	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-92.7	-0.1	-176.9	-59.3	-77.8	0	0	0	114	W275 L276 R288	W275-Y278 PolarHBondContact O-N 3.3Å; L276-Y278 PolarHBondContact O-N 3.36Å; L276-Y278 VanDerWaalsContact O-N 3.12Å; Y278-R288 PolarHBondContact O-NH2 3.22Å
279	L	94.6	Very high	92.8	Very high	34 Å²	34	56.9 Å²	56.9	18%	0.178	28%	0.281	C	S	.	.			trans	-65.1	134.5	-178.7	-72.7	176.7	0	0	0	112.3	W275 L276 F281 F284 R288	W275-L279 HydrophobicContact CE3-CD2 4.45Å; W275-L279 HydrophobicContact CZ3-CD1 4.12Å; W275-L279 HydrophobicContact CZ3-CD2 4.05Å; W275-L279 HydrophobicContact CZ3-CG 4.27Å; L276-L279 HydrophobicContact CB-CD1 4.48Å; L276-L279 HydrophobicContact CD2-CD1 3.58Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-L279 VanDerWaalsContact O-N 3.13Å; L279-F281 HydrophobicContact CB-CE1 4.29Å; L279-F281 HydrophobicContact CB-CE2 4.36Å; L279-F281 HydrophobicContact CB-CZ 4.13Å; L279-F281 HydrophobicContact CD1-CE2 4.06Å; L279-F281 HydrophobicContact CD1-CZ 3.82Å; L279-F281 HydrophobicContact CD2-CE1 4.09Å; L279-F281 HydrophobicContact CD2-CZ 3.97Å; L279-F281 HydrophobicContact CG-CZ 4.21Å; L279-F281 PolarHBondContact O-N 3.31Å; L279-F281 VanDerWaalsContact O-N 3.1Å; L279-F284 HydrophobicContact CB-CB 4.33Å; L279-F284 HydrophobicContact CB-CD2 4.02Å; L279-F284 HydrophobicContact CB-CG 4.43Å; L279-F284 HydrophobicContact CD1-CD2 4.09Å; L279-F284 HydrophobicContact CD1-CE2 4.08Å; L279-R288 VanDerWaalsContact O-CZ 3.27Å; L279-R288 PolarHBondContact O-NH1 3.47Å; L279-R288 PolarHBondContact O-NH2 2.88Å
280	P	94.6	Very high	93.2	Very high	87 Å²	87	56.6 Å²	56.6	57%	0.565	28%	0.28	S	S	*	.	S	Bend	trans	-81.5	17.7	-171.7	34.3	-37.2	0	0	0	114.4	K285	P280-K285 WeakPolarHBondContact O-CD 3.11Å
281	F	93.4	Very high	93.3	Very high	125 Å²	125	58.6 Å²	58.6	55%	0.548	29%	0.29	S	S	.	.	S	Bend	trans	-141	165.1	-176.3	51.5	-101	0	0	0	112.5	L279	L279-F281 HydrophobicContact CB-CE1 4.29Å; L279-F281 HydrophobicContact CB-CE2 4.36Å; L279-F281 HydrophobicContact CB-CZ 4.13Å; L279-F281 HydrophobicContact CD1-CE2 4.06Å; L279-F281 HydrophobicContact CD1-CZ 3.82Å; L279-F281 HydrophobicContact CD2-CE1 4.09Å; L279-F281 HydrophobicContact CD2-CZ 3.97Å; L279-F281 HydrophobicContact CG-CZ 4.21Å; L279-F281 PolarHBondContact O-N 3.31Å; L279-F281 VanDerWaalsContact O-N 3.1Å
282	G	91.6	Very high	93.5	Very high	48 Å²	48	64.1 Å²	64.1	50%	0.495	31%	0.313	S	S	.	.	H	α-helix	trans	60.8	-151.9	174.8	0	0	0	0	0	113.6	F284 K285 E286	G282-F284 PolarHBondContact O-N 3.08Å; G282-K285 PolarHBondContact O-N 3.46Å; G282-E286 PolarHBondContact O-N 2.9Å
283	P	91.5	Very high	93.8	Very high	16 Å²	16	63.9 Å²	63.9	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-19.3	-175.1	27.9	-35.4	0	0	0	113.2	I261 Q266 V267 L287	I261-P283 HydrophobicContact CG2-CB 4.37Å; Q266-P283 HydrophobicContact CB-CG 4.07Å; Q266-P283 VanDerWaalsContact OE1-CD 3.29Å; V267-P283 HydrophobicContact CG2-CB 3.75Å; V267-P283 HydrophobicContact CG2-CG 4.08Å; P283-L287 WeakPolarHBondContact O-CB 3.13Å; P283-L287 PolarHBondContact O-N 3.24Å
284	F	93.6	Very high	94	Very high	15 Å²	15	62.7 Å²	62.7	7%	0.066	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-47	175.9	-50.8	-66.7	0	0	0	111.7	Q266 V267 V270 L276 L279 G282 E286 L287 R288	Q266-F284 HydrophobicContact CB-CZ 4.23Å; Q266-F284 WeakPolarHBondContact O-CE1 3.46Å; Q266-F284 WeakPolarHBondContact O-CZ 3.07Å; V267-F284 HydrophobicContact CG2-CD1 4.5Å; V270-F284 HydrophobicContact CG2-CD1 4.08Å; V270-F284 HydrophobicContact CG2-CE1 3.91Å; L276-F284 HydrophobicContact CB-CD1 4.4Å; L276-F284 HydrophobicContact CB-CE1 3.89Å; L276-F284 HydrophobicContact CB-CZ 4Å; L276-F284 HydrophobicContact CD1-CZ 4.41Å; L276-F284 WeakPolarHBondContact O-CB 3.33Å; L276-F284 WeakPolarHBondContact O-CD1 3.36Å; L276-F284 WeakPolarHBondContact O-CG 3.36Å; L279-F284 HydrophobicContact CB-CB 4.33Å; L279-F284 HydrophobicContact CB-CD2 4.02Å; L279-F284 HydrophobicContact CB-CG 4.43Å; L279-F284 HydrophobicContact CD1-CD2 4.09Å; L279-F284 HydrophobicContact CD1-CE2 4.08Å; G282-F284 PolarHBondContact O-N 3.08Å; F284-E286 VanDerWaalsContact C-N 3.33Å; F284-L287 PolarHBondContact O-N 3.4Å; F284-R288 VanDerWaalsContact C-NH1 3.3Å; F284-R288 WeakPolarHBondContact O-CG 3.28Å; F284-R288 PolarHBondContact O-N 3.21Å; F284-R288 VanDerWaalsContact O-N 3.15Å; F284-R288 PolarHBondContact O-NH1 2.93Å; F284-R288 VanDerWaalsContact O-NH1 3.12Å
285	K	94.9	Very high	94.1	Very high	119 Å²	119	61.7 Å²	61.7	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.5	174.2	174.8	170.1	-176.3	0	111.1	P280 G282 R288 Q289	P280-K285 WeakPolarHBondContact O-CD 3.11Å; G282-K285 PolarHBondContact O-N 3.46Å; K285-R288 PolarHBondContact O-N 3.38Å; K285-Q289 WeakPolarHBondContact O-CB 3.48Å; K285-Q289 PolarHBondContact O-N 3.07Å
286	E	94.8	Very high	94.2	Very high	69 Å²	69	57.4 Å²	57.4	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-48.9	177.9	-167.5	-178.2	-178.2	0	0	111.2	R257 I261 G282 F284 R288 Q289 I290	R257-E286 IonicContact CZ-OE1 3.41Å; R257-E286 IonicContact CZ-OE2 3.57Å; R257-E286 IonicContact NE-OE1 2.94Å; R257-E286 PolarHBondContact NE-OE1 3.36Å; R257-E286 IonicContact NE-OE2 3.95Å; R257-E286 IonicContact NH2-OE1 2.72Å; R257-E286 PolarHBondContact NH2-OE1 3.03Å; R257-E286 IonicContact NH2-OE2 3.43Å; R257-E286 PolarHBondContact NH2-OE2 3Å; I261-E286 HydrophobicContact CD1-CB 4.21Å; I261-E286 HydrophobicContact CD1-CG 3.6Å; I261-E286 WeakPolarHBondContact CD1-OE1 3.45Å; I261-E286 WeakPolarHBondContact CD1-OE2 3.28Å; G282-E286 PolarHBondContact O-N 2.9Å; F284-E286 VanDerWaalsContact C-N 3.33Å; E286-R288 PolarHBondContact O-N 3.32Å; E286-Q289 PolarHBondContact O-N 3.4Å; E286-I290 HydrophobicContact CG-CD1 4.15Å; E286-I290 WeakPolarHBondContact O-CG1 3.01Å; E286-I290 PolarHBondContact O-N 3.4Å
287	L	93.7	Very high	94.3	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-46.8	177.3	-178.7	63.1	0	0	0	112.3	L155 I261 V267 Y277 P283 F284 Q289 I290 E291	L155-L287 HydrophobicContact CD1-CD2 3.81Å; I261-L287 HydrophobicContact CG2-CB 4.12Å; I261-L287 HydrophobicContact CG2-CD1 4.35Å; V267-L287 HydrophobicContact CG1-CD2 3.88Å; Y277-L287 HydrophobicContact CD2-CD2 4.32Å; Y277-L287 HydrophobicContact CE2-CD2 4.26Å; P283-L287 WeakPolarHBondContact O-CB 3.13Å; P283-L287 PolarHBondContact O-N 3.24Å; F284-L287 PolarHBondContact O-N 3.4Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.41Å; L287-I290 PolarHBondContact O-N 3.49Å; L287-E291 WeakPolarHBondContact O-CB 3.12Å; L287-E291 PolarHBondContact O-N 3.25Å
288	R	94.9	Very high	94.4	Very high	57 Å²	57	56 Å²	56	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-36	178.3	-68.7	-159.9	-54.9	-69.5	2.1	112.8	Y277 Y278 L279 F284 K285 E286 K292	Y277-R288 HydrophobicContact CD1-CG 4.42Å; Y277-R288 HydrophobicContact CD2-CG 4.44Å; Y277-R288 HydrophobicContact CE1-CG 3.81Å; Y277-R288 HydrophobicContact CE2-CG 3.85Å; Y277-R288 VanDerWaalsContact CZ-CG 3.5Å; Y277-R288 VanDerWaalsContact O-CD 3.28Å; Y277-R288 WeakPolarHBondContact O-CD 3.33Å; Y277-R288 PolarHBondContact O-NH1 3.37Å; Y278-R288 PolarHBondContact O-NH2 3.22Å; L279-R288 VanDerWaalsContact O-CZ 3.27Å; L279-R288 PolarHBondContact O-NH1 3.47Å; L279-R288 PolarHBondContact O-NH2 2.88Å; F284-R288 VanDerWaalsContact C-NH1 3.3Å; F284-R288 WeakPolarHBondContact O-CG 3.28Å; F284-R288 PolarHBondContact O-N 3.21Å; F284-R288 VanDerWaalsContact O-N 3.15Å; F284-R288 PolarHBondContact O-NH1 2.93Å; F284-R288 VanDerWaalsContact O-NH1 3.12Å; K285-R288 PolarHBondContact O-N 3.38Å; E286-R288 PolarHBondContact O-N 3.32Å; R288-K292 WeakPolarHBondContact O-CB 3.45Å; R288-K292 PolarHBondContact O-N 3.12Å
289	Q	95.1	Very high	94.5	Very high	84 Å²	84	54.6 Å²	54.6	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-67.7	-45.7	177.4	-174.7	59.4	51.1	0	0	110.9	K285 E286 L287 E291 K292 D293	K285-Q289 WeakPolarHBondContact O-CB 3.48Å; K285-Q289 PolarHBondContact O-N 3.07Å; E286-Q289 PolarHBondContact O-N 3.4Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.41Å; Q289-E291 PolarHBondContact O-N 3.37Å; Q289-K292 PolarHBondContact O-N 3.47Å; Q289-D293 PolarHBondContact NE2-OD1 2.92Å; Q289-D293 PolarHBondContact NE2-OD2 3.1Å; Q289-D293 PolarHBondContact O-N 2.97Å
290	I	94.7	Very high	94.6	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-48.2	175.2	-72.4	166.1	0	0	0	110.7	F254 R257 I261 E286 L287 K292 D293 I294	F254-I290 HydrophobicContact CB-CG1 4.3Å; F254-I290 HydrophobicContact CB-CG2 4.2Å; F254-I290 HydrophobicContact CD1-CG1 4.09Å; F254-I290 HydrophobicContact CG-CG1 4.32Å; F254-I290 WeakPolarHBondContact O-CG2 3.27Å; R257-I290 HydrophobicContact CB-CD1 4.2Å; R257-I290 HydrophobicContact CG-CD1 3.84Å; I261-I290 HydrophobicContact CD1-CD1 3.68Å; E286-I290 HydrophobicContact CG-CD1 4.15Å; E286-I290 WeakPolarHBondContact O-CG1 3.01Å; E286-I290 PolarHBondContact O-N 3.4Å; L287-I290 PolarHBondContact O-N 3.49Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.17Å; I290-D293 PolarHBondContact O-N 2.87Å; I290-I294 HydrophobicContact CG2-CD1 3.66Å; I290-I294 HydrophobicContact CG2-CG1 4.45Å; I290-I294 WeakPolarHBondContact O-CG1 3.33Å; I290-I294 PolarHBondContact O-N 2.92Å
291	E	93.9	Very high	94.6	Very high	44 Å²	44	54.5 Å²	54.5	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-44.9	177.8	-175.6	-173.5	150.8	0	0	111.5	Y277 L287 Q289 T295	Y277-E291 VanDerWaalsContact OH-CD 3.31Å; Y277-E291 PolarHBondContact OH-OE2 2.88Å; L287-E291 WeakPolarHBondContact O-CB 3.12Å; L287-E291 PolarHBondContact O-N 3.25Å; Q289-E291 PolarHBondContact O-N 3.37Å; E291-T295 VanDerWaalsContact O-CB 3.24Å; E291-T295 WeakPolarHBondContact O-CB 3.38Å; E291-T295 PolarHBondContact O-N 3.29Å; E291-T295 PolarHBondContact O-OG1 2.71Å
292	K	95.3	Very high	94.8	Very high	132 Å²	132	48.6 Å²	48.6	57%	0.574	24%	0.244	S	C	*	.	H	α-helix	trans	-62.9	-46.6	178.4	-175.5	-178.5	176.3	-175.8	0	111.9	R288 Q289 I290 T295 S296	R288-K292 WeakPolarHBondContact O-CB 3.45Å; R288-K292 PolarHBondContact O-N 3.12Å; Q289-K292 PolarHBondContact O-N 3.47Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.17Å; K292-T295 WeakPolarHBondContact O-CB 3.3Å; K292-T295 PolarHBondContact O-N 3.28Å; K292-S296 PolarHBondContact O-N 2.8Å; K292-S296 PolarHBondContact O-OG 2.67Å
293	D	95	Very high	95.1	Very high	39 Å²	39	51.4 Å²	51.4	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-44.2	-177	-69.7	-28.2	0	0	0	111.3	F254 Q289 I290 T295 S296 F297	F254-D293 HydrophobicContact CD2-CB 3.88Å; F254-D293 HydrophobicContact CE2-CB 3.73Å; F254-D293 WeakPolarHBondContact CE2-OD2 3.42Å; Q289-D293 PolarHBondContact NE2-OD1 2.92Å; Q289-D293 PolarHBondContact NE2-OD2 3.1Å; Q289-D293 PolarHBondContact O-N 2.97Å; I290-D293 PolarHBondContact O-N 2.87Å; D293-T295 VanDerWaalsContact C-N 3.32Å; D293-T295 PolarHBondContact O-N 2.93Å; D293-S296 PolarHBondContact O-N 2.79Å; D293-F297 PolarHBondContact O-N 2.99Å
294	I	94	Very high	95.3	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-44.5	172.8	-67.2	169	0	0	0	110.3	M251 M255 I290 S296 F297 L298	M251-I294 HydrophobicContact SD-CB 4.15Å; M251-I294 HydrophobicContact SD-CG1 3.56Å; M251-I294 VanDerWaalsContact SD-CG1 3.56Å; M255-I294 HydrophobicContact CG-CD1 4.17Å; I290-I294 HydrophobicContact CG2-CD1 3.66Å; I290-I294 HydrophobicContact CG2-CG1 4.45Å; I290-I294 WeakPolarHBondContact O-CG1 3.33Å; I290-I294 PolarHBondContact O-N 2.92Å; I294-S296 PolarHBondContact O-N 3.19Å; I294-F297 PolarHBondContact O-N 3.22Å; I294-L298 HydrophobicContact CG2-CD1 3.84Å; I294-L298 HydrophobicContact CG2-CG 4.27Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 3.41Å
295	T	95.2	Very high	95.5	Very high	35 Å²	35	53.7 Å²	53.7	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-47.3	179.6	-62.8	0	0	0	0	111.6	E291 K292 D293 F297 K299 F343	E291-T295 VanDerWaalsContact O-CB 3.24Å; E291-T295 WeakPolarHBondContact O-CB 3.38Å; E291-T295 PolarHBondContact O-N 3.29Å; E291-T295 PolarHBondContact O-OG1 2.71Å; K292-T295 WeakPolarHBondContact O-CB 3.3Å; K292-T295 PolarHBondContact O-N 3.28Å; D293-T295 VanDerWaalsContact C-N 3.32Å; D293-T295 PolarHBondContact O-N 2.93Å; T295-F297 VanDerWaalsContact C-N 3.33Å; T295-F297 PolarHBondContact O-N 3.45Å; T295-K299 HydrophobicContact CG2-CD 3.95Å; T295-K299 HydrophobicContact CG2-CG 4.33Å; T295-K299 VanDerWaalsContact O-CB 3.32Å; T295-K299 WeakPolarHBondContact O-CB 3.46Å; T295-K299 WeakPolarHBondContact O-CG 3.43Å; T295-K299 PolarHBondContact O-N 3Å; T295-F343 HydrophobicContact CG2-CE2 3.97Å; T295-F343 HydrophobicContact CG2-CZ 3.8Å
296	S	96.3	Very high	95.5	Very high	71 Å²	71	51.6 Å²	51.6	50%	0.497	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-42.3	178.9	-74.3	0	0	0	0	112	K292 D293 I294 K300	K292-S296 PolarHBondContact O-N 2.8Å; K292-S296 PolarHBondContact O-OG 2.67Å; D293-S296 PolarHBondContact O-N 2.79Å; I294-S296 PolarHBondContact O-N 3.19Å; S296-K300 WeakPolarHBondContact O-CB 3.33Å; S296-K300 PolarHBondContact O-N 3.47Å; S296-K300 VanDerWaalsContact O-N 3.12Å
297	F	95.1	Very high	95.5	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-52.7	178	178.7	-97.2	0	0	0	112.2	F237 F241 F248 M251 D293 I294 T295 K299 K300 I301 F350	F237-F297 HydrophobicContact CE2-CE1 4.35Å; F241-F297 HydrophobicContact CE1-CZ 4.28Å; F241-F297 HydrophobicContact CE2-CZ 4.44Å; F241-F297 AromaticContact CZ-CZ 3.9Å; F241-F297 HydrophobicContact CZ-CZ 3.9Å; F248-F297 HydrophobicContact CD2-CZ 4.03Å; F248-F297 HydrophobicContact CE2-CZ 4.37Å; M251-F297 HydrophobicContact CE-CB 3.24Å; M251-F297 HydrophobicContact CE-CD1 4.11Å; M251-F297 HydrophobicContact CE-CD2 4.02Å; M251-F297 HydrophobicContact CE-CG 3.54Å; M251-F297 HydrophobicContact CG-CD1 4.07Å; M251-F297 HydrophobicContact CG-CE1 4.28Å; M251-F297 HydrophobicContact CG-CG 4.32Å; M251-F297 HydrophobicContact SD-CB 4.19Å; M251-F297 HydrophobicContact SD-CD1 4.23Å; M251-F297 HydrophobicContact SD-CG 4.26Å; D293-F297 PolarHBondContact O-N 2.99Å; I294-F297 PolarHBondContact O-N 3.22Å; T295-F297 VanDerWaalsContact C-N 3.33Å; T295-F297 PolarHBondContact O-N 3.45Å; F297-K299 PolarHBondContact O-N 3.1Å; F297-K300 WeakPolarHBondContact O-CB 3.45Å; F297-K300 PolarHBondContact O-N 2.88Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CZ-CG1 4.36Å; F297-I301 WeakPolarHBondContact O-CG1 3.42Å; F297-I301 PolarHBondContact O-N 2.95Å; F297-I301 VanDerWaalsContact O-N 3.11Å; F297-F350 HydrophobicContact CE1-CE1 4.17Å
298	L	95.5	Very high	95.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-38.1	-178	-64.5	179	0	0	0	112.6	F237 I294 K300 I301 I302 F343 I346 F350	F237-L298 HydrophobicContact CZ-CD2 3.89Å; I294-L298 HydrophobicContact CG2-CD1 3.84Å; I294-L298 HydrophobicContact CG2-CG 4.27Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 3.41Å; L298-K300 VanDerWaalsContact C-N 3.31Å; L298-K300 PolarHBondContact O-N 3.2Å; L298-I301 PolarHBondContact O-N 2.9Å; L298-I302 WeakPolarHBondContact O-CG1 3.19Å; L298-I302 PolarHBondContact O-N 2.97Å; L298-F343 HydrophobicContact CB-CD2 4.05Å; L298-F343 HydrophobicContact CB-CE2 3.85Å; L298-F343 HydrophobicContact CD1-CE2 4.18Å; L298-I346 HydrophobicContact CD2-CG2 3.9Å; L298-F350 HydrophobicContact CD2-CD1 4.09Å
299	K	96.5	Very high	95.6	Very high	123 Å²	123	57.1 Å²	57.1	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-36.5	175.6	-76.8	-172.3	175.1	-171	0	112.4	T295 F297 K303 F343	T295-K299 HydrophobicContact CG2-CD 3.95Å; T295-K299 HydrophobicContact CG2-CG 4.33Å; T295-K299 VanDerWaalsContact O-CB 3.32Å; T295-K299 WeakPolarHBondContact O-CB 3.46Å; T295-K299 WeakPolarHBondContact O-CG 3.43Å; T295-K299 PolarHBondContact O-N 3Å; F297-K299 PolarHBondContact O-N 3.1Å; K299-K303 VanDerWaalsContact O-CB 3.3Å; K299-K303 WeakPolarHBondContact O-CB 3.26Å; K299-K303 PolarHBondContact O-N 3.17Å; K299-F343 HydrophobicContact CG-CD2 4.02Å; K299-F343 HydrophobicContact CG-CE2 4.13Å
300	K	96.4	Very high	95.5	Very high	110 Å²	110	56.5 Å²	56.5	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-49.9	173.5	-177.1	-176	172.7	-170.1	0	110.4	S296 F297 L298 I302 K303 D304	S296-K300 WeakPolarHBondContact O-CB 3.33Å; S296-K300 PolarHBondContact O-N 3.47Å; S296-K300 VanDerWaalsContact O-N 3.12Å; F297-K300 WeakPolarHBondContact O-CB 3.45Å; F297-K300 PolarHBondContact O-N 2.88Å; L298-K300 VanDerWaalsContact C-N 3.31Å; L298-K300 PolarHBondContact O-N 3.2Å; K300-I302 PolarHBondContact O-N 3.38Å; K300-K303 WeakPolarHBondContact O-CB 3.35Å; K300-K303 PolarHBondContact O-N 3.29Å; K300-D304 PolarHBondContact O-N 2.87Å
301	I	96.1	Very high	95.4	Very high	9 Å²	9	63.7 Å²	63.7	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-48.2	177.8	-61.9	-53.6	0	0	0	111.8	F237 F241 F297 L298 K303 D304 H305 I318	F237-I301 HydrophobicContact CB-CG2 4.08Å; F237-I301 HydrophobicContact CD1-CG2 3.89Å; F237-I301 HydrophobicContact CD2-CG2 4.34Å; F237-I301 HydrophobicContact CE1-CG2 4.47Å; F237-I301 HydrophobicContact CG-CG2 3.86Å; F241-I301 HydrophobicContact CZ-CD1 4.38Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CZ-CG1 4.36Å; F297-I301 WeakPolarHBondContact O-CG1 3.42Å; F297-I301 PolarHBondContact O-N 2.95Å; F297-I301 VanDerWaalsContact O-N 3.11Å; L298-I301 PolarHBondContact O-N 2.9Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 2.92Å; I301-D304 PolarHBondContact O-N 2.8Å; I301-H305 PolarHBondContact O-N 2.65Å; I301-H305 VanDerWaalsContact O-N 3.13Å; I301-H305 PolarHBondContact O-ND1 3.23Å; I301-I318 HydrophobicContact CG2-CD1 3.84Å
302	I	96.9	Very high	95.3	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-42.2	179.1	-68.6	166.2	0	0	0	110.9	L298 K300 H305 Q306 I318 E339 L342 F343	L298-I302 WeakPolarHBondContact O-CG1 3.19Å; L298-I302 PolarHBondContact O-N 2.97Å; K300-I302 PolarHBondContact O-N 3.38Å; I302-H305 PolarHBondContact O-N 3.3Å; I302-Q306 WeakPolarHBondContact O-CG 2.98Å; I302-Q306 PolarHBondContact O-N 3.41Å; I302-I318 HydrophobicContact CG1-CD1 4.24Å; I302-E339 HydrophobicContact CG2-CG 4.41Å; I302-L342 HydrophobicContact CD1-CG 4.35Å; I302-L342 HydrophobicContact CG2-CD2 4.18Å; I302-F343 HydrophobicContact CD1-CB 3.97Å; I302-F343 HydrophobicContact CD1-CD2 4.32Å
303	K	97.4	Very high	95.2	Very high	107 Å²	107	68.5 Å²	68.5	47%	0.465	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-43.3	177.5	-169.9	-178.4	-177.1	-103.2	0	111.9	K299 K300 I301 H305 Q306 E307	K299-K303 VanDerWaalsContact O-CB 3.3Å; K299-K303 WeakPolarHBondContact O-CB 3.26Å; K299-K303 PolarHBondContact O-N 3.17Å; K300-K303 WeakPolarHBondContact O-CB 3.35Å; K300-K303 PolarHBondContact O-N 3.29Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 2.92Å; K303-H305 VanDerWaalsContact C-N 3.28Å; K303-H305 PolarHBondContact O-N 3.17Å; K303-Q306 WeakPolarHBondContact O-CB 3.46Å; K303-Q306 PolarHBondContact O-N 3.24Å; K303-Q306 VanDerWaalsContact O-N 3.16Å; K303-E307 WeakPolarHBondContact CE-OE1 2.92Å; K303-E307 IonicContact NZ-OE1 3.91Å; K303-E307 PolarHBondContact NZ-OE1 2.88Å; K303-E307 WeakPolarHBondContact O-CG 3.15Å; K303-E307 PolarHBondContact O-N 3.34Å
304	D	96.4	Very high	95	Very high	65 Å²	65	68.2 Å²	68.2	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-42	178.2	-63.1	-17.9	0	0	0	110.3	K300 I301 E307 S308	K300-D304 PolarHBondContact O-N 2.87Å; I301-D304 PolarHBondContact O-N 2.8Å; D304-E307 PolarHBondContact O-N 3.05Å; D304-S308 WeakPolarHBondContact O-CB 3.37Å; D304-S308 PolarHBondContact O-N 3.12Å; D304-S308 PolarHBondContact O-OG 3.14Å
305	H	97.1	Very high	95	Very high	14 Å²	14	72.8 Å²	72.8	7%	0.065	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-37.6	176.3	-69.6	65.2	0	0	0	112.6	F237 I301 I302 K303 E307 S308 L309 D316 I318 D319 L322	F237-H305 PolarHBondContact O-CE1 2.99Å; F237-H305 PolarHBondContact O-NE2 3.11Å; I301-H305 PolarHBondContact O-N 2.65Å; I301-H305 VanDerWaalsContact O-N 3.13Å; I301-H305 PolarHBondContact O-ND1 3.23Å; I302-H305 PolarHBondContact O-N 3.3Å; K303-H305 VanDerWaalsContact C-N 3.28Å; K303-H305 PolarHBondContact O-N 3.17Å; H305-E307 VanDerWaalsContact C-N 3.27Å; H305-E307 PolarHBondContact O-N 2.92Å; H305-S308 PolarHBondContact O-N 3.45Å; H305-L309 WeakPolarHBondContact O-CA 3.37Å; H305-L309 VanDerWaalsContact O-CB 3.32Å; H305-L309 WeakPolarHBondContact O-CB 3.32Å; H305-L309 PolarHBondContact O-N 3.35Å; H305-D316 IonicContact CD2-OD1 3.75Å; H305-D316 IonicContact CD2-OD2 2.91Å; H305-D316 PolarHBondContact CD2-OD2 2.9Å; H305-D316 IonicContact NE2-OD1 3.61Å; H305-D316 IonicContact NE2-OD2 2.55Å; H305-D316 PolarHBondContact NE2-OD2 3.38Å; H305-D316 VanDerWaalsContact NE2-OD2 3.07Å; H305-I318 HydrophobicContact CB-CB 4.4Å; H305-I318 HydrophobicContact CB-CG2 3.47Å; H305-I318 VanDerWaalsContact CB-CG2 3.47Å; H305-D319 IonicContact CD2-OD1 3.07Å; H305-D319 PolarHBondContact CD2-OD1 3.12Å; H305-L322 HydrophobicContact CB-CD1 4.33Å
306	Q	95.3	Very high	95	Very high	74 Å²	74	71.3 Å²	71.3	35%	0.346	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-38.2	174.3	-72.3	175	-25.7	0	0	112.1	I302 K303 L322 E339	I302-Q306 WeakPolarHBondContact O-CG 2.98Å; I302-Q306 PolarHBondContact O-N 3.41Å; K303-Q306 WeakPolarHBondContact O-CB 3.46Å; K303-Q306 PolarHBondContact O-N 3.24Å; K303-Q306 VanDerWaalsContact O-N 3.16Å; Q306-L322 HydrophobicContact CG-CD1 3.94Å; Q306-L322 HydrophobicContact CG-CD2 4.14Å; Q306-E339 PolarHBondContact NE2-OE2 2.92Å
307	E	95.8	Very high	95.1	Very high	132 Å²	132	67.9 Å²	67.9	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-75.7	-30.1	-180	-69.9	178.7	-176.4	0	0	112.2	K303 D304 H305	K303-E307 WeakPolarHBondContact CE-OE1 2.92Å; K303-E307 IonicContact NZ-OE1 3.91Å; K303-E307 PolarHBondContact NZ-OE1 2.88Å; K303-E307 WeakPolarHBondContact O-CG 3.15Å; K303-E307 PolarHBondContact O-N 3.34Å; D304-E307 PolarHBondContact O-N 3.05Å; H305-E307 VanDerWaalsContact C-N 3.27Å; H305-E307 PolarHBondContact O-N 2.92Å
308	S	94.8	Very high	95.2	Very high	87 Å²	87	67.4 Å²	67.4	61%	0.608	32%	0.324	S	S	*	.	H	α-helix	trans	-105.3	6	-175.4	69.9	0	0	0	0	115.4	D304 H305 D310	D304-S308 WeakPolarHBondContact O-CB 3.37Å; D304-S308 PolarHBondContact O-N 3.12Å; D304-S308 PolarHBondContact O-OG 3.14Å; H305-S308 PolarHBondContact O-N 3.45Å; S308-D310 PolarHBondContact O-N 2.91Å; S308-D310 VanDerWaalsContact O-N 3.13Å
309	L	95.1	Very high	95.3	Very high	30 Å²	30	67.7 Å²	67.7	16%	0.157	33%	0.326	C	S	.	.			trans	-60.1	113.8	-170	-179.1	60.2	0	0	0	112.6	H305 D319 L322 L323	H305-L309 WeakPolarHBondContact O-CA 3.37Å; H305-L309 VanDerWaalsContact O-CB 3.32Å; H305-L309 WeakPolarHBondContact O-CB 3.32Å; H305-L309 PolarHBondContact O-N 3.35Å; L309-D319 HydrophobicContact CD1-CB 3.7Å; L309-D319 WeakPolarHBondContact CD1-OD1 3.43Å; L309-L322 HydrophobicContact CD2-CB 4.09Å; L309-L322 HydrophobicContact CD2-CD1 4.42Å; L309-L323 HydrophobicContact CD1-CG 4.42Å; L309-L323 HydrophobicContact CD2-CD2 4.03Å; L309-L323 HydrophobicContact CG-CD2 4.48Å
310	D	93.1	Very high	95.4	Very high	72 Å²	72	64.2 Å²	64.2	39%	0.385	31%	0.312	S	S	.	.			trans	-90.7	109.8	168.1	-175	-5.8	0	0	0	109.7	S308 E312 N313	S308-D310 PolarHBondContact O-N 2.91Å; S308-D310 VanDerWaalsContact O-N 3.13Å; D310-E312 PolarHBondContact O-N 3.48Å; D310-E312 PolarHBondContact OD1-N 3.09Å; D310-N313 CarbonylContact O-C 3.53Å; D310-N313 PolarHBondContact O-N 3.13Å
311	R	92.8	Very high	95.4	Very high	158 Å²	158	59 Å²	59	60%	0.596	29%	0.289	S	S	*	.	S	Bend	trans	-68.1	-24.3	-177.5	-63.3	-167.1	168.4	78.8	5.9	113.1	L323 E326	R311-L323 HydrophobicContact CB-CD2 4.18Å; R311-L323 HydrophobicContact CG-CD2 3.87Å; R311-E326 IonicContact CZ-OE2 2.81Å; R311-E326 IonicContact NE-OE2 2.78Å; R311-E326 PolarHBondContact NE-OE2 3.41Å; R311-E326 IonicContact NH2-OE1 3.88Å; R311-E326 PolarHBondContact NH2-OE1 3.17Å; R311-E326 VanDerWaalsContact NH2-OE1 3.08Å; R311-E326 IonicContact NH2-OE2 3.61Å
312	E	91.4	Very high	95.5	Very high	185 Å²	185	58.8 Å²	58.8	86%	0.864	29%	0.288	S	S	*	.	S	Bend	trans	-85.6	-23.2	-178	-61.2	-170.1	166.5	0	0	111.8	D310	D310-E312 PolarHBondContact O-N 3.48Å; D310-E312 PolarHBondContact OD1-N 3.09Å
313	N	92.4	Very high	95.5	Very high	92 Å²	92	60.5 Å²	60.5	49%	0.492	30%	0.297	S	S	.	.	S	Bend	trans	-140.6	70.2	-174.5	-172.8	39.2	0	0	0	112.5	D310 Q315	D310-N313 CarbonylContact O-C 3.53Å; D310-N313 PolarHBondContact O-N 3.13Å; N313-Q315 VanDerWaalsContact O-CG 3.31Å; N313-Q315 WeakPolarHBondContact O-CG 3.33Å; N313-Q315 PolarHBondContact O-N 3.21Å
314	P	92.4	Very high	95.4	Very high	32 Å²	32	57.9 Å²	57.9	21%	0.208	29%	0.286	C	S	.	.			trans	-64	125.3	176.4	26.8	-34.1	0	0	0	110.9	D319 M320 L323	P314-D319 HydrophobicContact CB-CB 3.7Å; P314-M320 HydrophobicContact CB-CG 4.07Å; P314-M320 HydrophobicContact CB-SD 3.73Å; P314-M320 HydrophobicContact CG-CG 4.42Å; P314-M320 HydrophobicContact CG-SD 3.48Å; P314-M320 WeakPolarHBondContact CG-SD 3.26Å; P314-L323 HydrophobicContact CB-CD1 3.82Å; P314-L323 HydrophobicContact CG-CD1 3.97Å
315	Q	92.4	Very high	95.3	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	27%	0.272	S	S	*	.			trans	-95.6	-21.5	-167	-57.9	-167.5	-3.4	0	0	113.6	F188 N313 D319	F188-Q315 WeakPolarHBondContact CE1-O 3.32Å; N313-Q315 VanDerWaalsContact O-CG 3.31Å; N313-Q315 WeakPolarHBondContact O-CG 3.33Å; N313-Q315 PolarHBondContact O-N 3.21Å; Q315-D319 PolarHBondContact N-OD2 2.9Å
316	D	96.2	Very high	95.1	Very high	3 Å²	3	58 Å²	58	2%	0.016	29%	0.285	C	S	.	.	S	Bend	trans	-153.7	-173.6	-173.3	59.6	61	0	0	0	113.2	F188 G238 H305 I318 D319 M320	F188-D316 VanDerWaalsContact CE2-O 3.31Å; F188-D316 WeakPolarHBondContact CE2-O 3.38Å; F188-D316 VanDerWaalsContact CZ-O 3.32Å; F188-D316 WeakPolarHBondContact CZ-O 3.48Å; G238-D316 VanDerWaalsContact CA-OD2 3.23Å; G238-D316 WeakPolarHBondContact CA-OD2 3.33Å; G238-D316 PolarHBondContact N-OD2 3.39Å; H305-D316 IonicContact CD2-OD1 3.75Å; H305-D316 IonicContact CD2-OD2 2.91Å; H305-D316 PolarHBondContact CD2-OD2 2.9Å; H305-D316 IonicContact NE2-OD1 3.61Å; H305-D316 IonicContact NE2-OD2 2.55Å; H305-D316 PolarHBondContact NE2-OD2 3.38Å; H305-D316 VanDerWaalsContact NE2-OD2 3.07Å; D316-I318 PolarHBondContact O-N 2.93Å; D316-I318 WeakPolarHBondContact OD1-CA 3.22Å; D316-I318 WeakPolarHBondContact OD1-CB 3.38Å; D316-I318 PolarHBondContact OD1-N 3.11Å; D316-D319 PolarHBondContact OD1-N 3.34Å; D316-M320 WeakPolarHBondContact O-CG 3.49Å; D316-M320 PolarHBondContact O-N 3.18Å; D316-M320 VanDerWaalsContact O-N 3.16Å
317	F	97.7	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-43.3	179.7	-169.2	-80.1	0	0	0	113.8	F180 T184 L185 L235 M320 Y321 L342 I345 I346 L349	F180-F317 HydrophobicContact CD1-CZ 4.34Å; F180-F317 HydrophobicContact CE1-CZ 4.25Å; T184-F317 HydrophobicContact CG2-CB 4.47Å; T184-F317 HydrophobicContact CG2-CD2 3.72Å; T184-F317 HydrophobicContact CG2-CE2 4.25Å; T184-F317 HydrophobicContact CG2-CG 4.25Å; L185-F317 HydrophobicContact CD2-CD2 4.15Å; L185-F317 HydrophobicContact CG-CD2 4.19Å; L185-F317 HydrophobicContact CG-CE2 4.36Å; L235-F317 WeakPolarHBondContact O-CB 3.38Å; L235-F317 PolarHBondContact O-N 3.42Å; F317-M320 PolarHBondContact O-N 3.45Å; F317-Y321 AromaticContact CE1-CD2 3.94Å; F317-Y321 HydrophobicContact CE1-CD2 3.94Å; F317-Y321 HydrophobicContact CE1-CG 4.48Å; F317-Y321 HydrophobicContact CZ-CD2 4.42Å; F317-Y321 WeakPolarHBondContact O-CB 3.38Å; F317-Y321 PolarHBondContact O-N 2.93Å; F317-L342 HydrophobicContact CD1-CD1 4.44Å; F317-L342 HydrophobicContact CE1-CD1 4.3Å; F317-I345 HydrophobicContact CE1-CG2 3.63Å; F317-I345 HydrophobicContact CZ-CG2 3.56Å; F317-I346 HydrophobicContact CD1-CD1 3.71Å; F317-I346 HydrophobicContact CD1-CG1 4.44Å; F317-I346 HydrophobicContact CE1-CD1 4.37Å; F317-I346 HydrophobicContact CG-CD1 4.37Å; F317-L349 HydrophobicContact CD1-CD1 4.35Å; F317-L349 HydrophobicContact CD2-CD1 3.88Å; F317-L349 HydrophobicContact CE1-CD1 4.2Å; F317-L349 HydrophobicContact CE2-CD1 3.66Å; F317-L349 HydrophobicContact CG-CD1 4.22Å; F317-L349 HydrophobicContact CZ-CD1 3.86Å
318	I	98.1	Very high	94.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-49.1	-175.6	-72.5	169.2	0	0	0	108.7	C236 F237 I301 I302 H305 D316 M320 Y321 L322 L342 I346	C236-I318 WeakPolarHBondContact O-CD1 3.3Å; C236-I318 VanDerWaalsContact O-CG1 3.26Å; C236-I318 WeakPolarHBondContact O-CG1 3.33Å; C236-I318 PolarHBondContact O-N 3.21Å; F237-I318 HydrophobicContact CD1-CD1 3.77Å; F237-I318 HydrophobicContact CE1-CD1 4.38Å; I301-I318 HydrophobicContact CG2-CD1 3.84Å; I302-I318 HydrophobicContact CG1-CD1 4.24Å; H305-I318 HydrophobicContact CB-CB 4.4Å; H305-I318 HydrophobicContact CB-CG2 3.47Å; H305-I318 VanDerWaalsContact CB-CG2 3.47Å; D316-I318 PolarHBondContact O-N 2.93Å; D316-I318 WeakPolarHBondContact OD1-CA 3.22Å; D316-I318 WeakPolarHBondContact OD1-CB 3.38Å; D316-I318 PolarHBondContact OD1-N 3.11Å; I318-M320 PolarHBondContact O-N 3.42Å; I318-Y321 PolarHBondContact O-N 2.82Å; I318-Y321 VanDerWaalsContact O-N 3.12Å; I318-L322 HydrophobicContact CG2-CD1 3.83Å; I318-L322 HydrophobicContact CG2-CG 4.19Å; I318-L322 VanDerWaalsContact O-CG 3.32Å; I318-L322 WeakPolarHBondContact O-CG 3.37Å; I318-L322 PolarHBondContact O-N 3.31Å; I318-L342 HydrophobicContact CG1-CD1 4.5Å; I318-L342 HydrophobicContact CG2-CD2 4.33Å; I318-I346 HydrophobicContact CD1-CD1 4.06Å; I318-I346 HydrophobicContact CD1-CG1 4.26Å; I318-I346 HydrophobicContact CG1-CD1 3.53Å; I318-I346 HydrophobicContact CG1-CG1 3.81Å
319	D	97.6	Very high	94.6	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.048	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-49.9	178	-71.2	-10.6	0	0	0	111.5	H305 L309 P314 Q315 D316 Y321 L322 L323	H305-D319 IonicContact CD2-OD1 3.07Å; H305-D319 PolarHBondContact CD2-OD1 3.12Å; L309-D319 HydrophobicContact CD1-CB 3.7Å; L309-D319 WeakPolarHBondContact CD1-OD1 3.43Å; P314-D319 HydrophobicContact CB-CB 3.7Å; Q315-D319 PolarHBondContact N-OD2 2.9Å; D316-D319 PolarHBondContact OD1-N 3.34Å; D319-Y321 VanDerWaalsContact C-N 3.26Å; D319-Y321 PolarHBondContact O-N 3.27Å; D319-L322 PolarHBondContact O-N 3.37Å; D319-L323 WeakPolarHBondContact O-CG 3.33Å; D319-L323 PolarHBondContact O-N 3Å
320	M	97.6	Very high	94.4	Very high	50 Å²	50	62 Å²	62	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-37.9	178.4	-74.6	-65.2	-71.1	0	0	112.2	F180 T184 F188 P314 D316 F317 I318 H324	F180-M320 HydrophobicContact CZ-CB 4.43Å; T184-M320 HydrophobicContact CG2-CB 3.72Å; T184-M320 HydrophobicContact CG2-CG 4.07Å; F188-M320 HydrophobicContact CE2-CG 3.79Å; F188-M320 HydrophobicContact CZ-CG 3.74Å; P314-M320 HydrophobicContact CB-CG 4.07Å; P314-M320 HydrophobicContact CB-SD 3.73Å; P314-M320 HydrophobicContact CG-CG 4.42Å; P314-M320 HydrophobicContact CG-SD 3.48Å; P314-M320 WeakPolarHBondContact CG-SD 3.26Å; D316-M320 WeakPolarHBondContact O-CG 3.49Å; D316-M320 PolarHBondContact O-N 3.18Å; D316-M320 VanDerWaalsContact O-N 3.16Å; F317-M320 PolarHBondContact O-N 3.45Å; I318-M320 PolarHBondContact O-N 3.42Å; M320-H324 VanDerWaalsContact O-CB 3.29Å; M320-H324 WeakPolarHBondContact O-CB 3.43Å; M320-H324 PolarHBondContact O-N 3.13Å
321	Y	97.9	Very high	94.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-42.1	177.5	-167.2	-74.9	0	0	0	111.7	Q177 F180 F317 I318 D319 H324 M325 F337 D338 L342 I345	Q177-Y321 PolarHBondContact NE2-OH 2.91Å; F180-Y321 AromaticContact CD1-CD2 3.87Å; F180-Y321 HydrophobicContact CD1-CD2 3.87Å; F180-Y321 HydrophobicContact CD1-CE2 4.39Å; F180-Y321 AromaticContact CE1-CD2 3.52Å; F180-Y321 HydrophobicContact CE1-CD2 3.52Å; F180-Y321 HydrophobicContact CE1-CE2 4.43Å; F180-Y321 HydrophobicContact CE1-CG 4.1Å; F180-Y321 HydrophobicContact CZ-CD2 4.39Å; F317-Y321 AromaticContact CE1-CD2 3.94Å; F317-Y321 HydrophobicContact CE1-CD2 3.94Å; F317-Y321 HydrophobicContact CE1-CG 4.48Å; F317-Y321 HydrophobicContact CZ-CD2 4.42Å; F317-Y321 WeakPolarHBondContact O-CB 3.38Å; F317-Y321 PolarHBondContact O-N 2.93Å; I318-Y321 PolarHBondContact O-N 2.82Å; I318-Y321 VanDerWaalsContact O-N 3.12Å; D319-Y321 VanDerWaalsContact C-N 3.26Å; D319-Y321 PolarHBondContact O-N 3.27Å; Y321-H324 PolarHBondContact O-N 2.9Å; Y321-M325 HydrophobicContact CD1-CB 4.47Å; Y321-M325 HydrophobicContact CE1-CB 4.48Å; Y321-M325 VanDerWaalsContact O-CB 3.26Å; Y321-M325 WeakPolarHBondContact O-CB 3.19Å; Y321-M325 PolarHBondContact O-N 2.74Å; Y321-F337 HydrophobicContact CD2-CD1 4.34Å; Y321-F337 HydrophobicContact CE1-CD1 4.2Å; Y321-F337 AromaticContact CE2-CD1 3.62Å; Y321-F337 HydrophobicContact CE2-CD1 3.62Å; Y321-F337 AromaticContact CE2-CE1 3.96Å; Y321-F337 HydrophobicContact CE2-CE1 3.96Å; Y321-F337 AromaticContact CZ-CD1 3.56Å; Y321-D338 PolarHBondContact OH-O 3.28Å; Y321-L342 HydrophobicContact CD1-CB 3.74Å; Y321-L342 HydrophobicContact CD1-CD1 3.77Å; Y321-L342 HydrophobicContact CD1-CD2 3.96Å; Y321-L342 HydrophobicContact CD1-CG 4.02Å; Y321-L342 HydrophobicContact CD2-CD1 4.09Å; Y321-L342 HydrophobicContact CE1-CB 3.57Å; Y321-L342 HydrophobicContact CE1-CD1 4.34Å; Y321-L342 HydrophobicContact CE1-CG 4.36Å; Y321-L342 HydrophobicContact CG-CB 4.41Å; Y321-L342 HydrophobicContact CG-CD1 3.62Å; Y321-L342 HydrophobicContact CG-CG 4.39Å; Y321-I345 HydrophobicContact CE2-CD1 3.66Å
322	L	97	Very high	93.8	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-45.6	177.2	-69.9	174.8	0	0	0	111	H305 Q306 L309 I318 D319 M325 E326 L342	H305-L322 HydrophobicContact CB-CD1 4.33Å; Q306-L322 HydrophobicContact CG-CD1 3.94Å; Q306-L322 HydrophobicContact CG-CD2 4.14Å; L309-L322 HydrophobicContact CD2-CB 4.09Å; L309-L322 HydrophobicContact CD2-CD1 4.42Å; I318-L322 HydrophobicContact CG2-CD1 3.83Å; I318-L322 HydrophobicContact CG2-CG 4.19Å; I318-L322 VanDerWaalsContact O-CG 3.32Å; I318-L322 WeakPolarHBondContact O-CG 3.37Å; I318-L322 PolarHBondContact O-N 3.31Å; D319-L322 PolarHBondContact O-N 3.37Å; L322-M325 HydrophobicContact CD2-CE 3.82Å; L322-M325 WeakPolarHBondContact O-CB 3.44Å; L322-M325 PolarHBondContact O-N 3.11Å; L322-E326 WeakPolarHBondContact O-CG 3.14Å; L322-E326 PolarHBondContact O-N 3.29Å; L322-L342 HydrophobicContact CD2-CD2 3.82Å; L322-L342 HydrophobicContact CG-CD2 4.21Å
323	L	96.4	Very high	93.2	Very high	37 Å²	37	57.7 Å²	57.7	19%	0.194	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.6	-65.7	176.5	0	0	0	112.2	L309 R311 P314 D319 M325 E326 E327	L309-L323 HydrophobicContact CD1-CG 4.42Å; L309-L323 HydrophobicContact CD2-CD2 4.03Å; L309-L323 HydrophobicContact CG-CD2 4.48Å; R311-L323 HydrophobicContact CB-CD2 4.18Å; R311-L323 HydrophobicContact CG-CD2 3.87Å; P314-L323 HydrophobicContact CB-CD1 3.82Å; P314-L323 HydrophobicContact CG-CD1 3.97Å; D319-L323 WeakPolarHBondContact O-CG 3.33Å; D319-L323 PolarHBondContact O-N 3Å; L323-M325 VanDerWaalsContact C-N 3.34Å; L323-M325 PolarHBondContact O-N 2.98Å; L323-E326 PolarHBondContact O-N 3.02Å; L323-E327 PolarHBondContact O-N 2.92Å
324	H	95.6	Very high	92.7	Very high	52 Å²	52	60.1 Å²	60.1	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-38.9	177.9	-173.3	54.2	0	0	0	112.1	F180 M320 Y321 E327 E328 F337	F180-H324 HydrophobicContact CD2-CB 4.4Å; F180-H324 AromaticContact CD2-CD2 3.36Å; F180-H324 WeakPolarHBondContact CD2-CD2 3.28Å; F180-H324 AromaticContact CD2-CG 3.85Å; F180-H324 AromaticContact CD2-NE2 3.75Å; F180-H324 HydrophobicContact CE2-CB 3.5Å; F180-H324 VanDerWaalsContact CE2-CB 3.5Å; F180-H324 AromaticContact CE2-CD2 3.37Å; F180-H324 WeakPolarHBondContact CE2-CD2 3.46Å; F180-H324 AromaticContact CE2-CG 3.4Å; F180-H324 HydrophobicContact CZ-CB 3.83Å; M320-H324 VanDerWaalsContact O-CB 3.29Å; M320-H324 WeakPolarHBondContact O-CB 3.43Å; M320-H324 PolarHBondContact O-N 3.13Å; Y321-H324 PolarHBondContact O-N 2.9Å; H324-E327 PolarHBondContact O-N 2.74Å; H324-E328 IonicContact CE1-OE1 3.47Å; H324-E328 WeakPolarHBondContact O-CB 3.49Å; H324-E328 WeakPolarHBondContact O-CG 3.37Å; H324-E328 PolarHBondContact O-N 2.99Å; H324-F337 AromaticContact CD2-CD1 3.64Å; H324-F337 AromaticContact CD2-CE1 3.5Å; H324-F337 VanDerWaalsContact CD2-CE1 3.5Å; H324-F337 WeakPolarHBondContact CD2-CE1 3.36Å; H324-F337 AromaticContact CD2-CE2 4Å; H324-F337 AromaticContact CD2-CG 3.97Å; H324-F337 AromaticContact CD2-CZ 3.69Å; H324-F337 AromaticContact NE2-CD2 4Å; H324-F337 AromaticContact NE2-CE1 3.85Å; H324-F337 AromaticContact NE2-CE2 3.58Å; H324-F337 AromaticContact NE2-CZ 3.5Å; H324-F337 WeakPolarHBondContact NE2-CZ 3.24Å
325	M	95.1	Very high	92.5	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-44.7	173.3	171.8	-177.4	74.2	0	0	111.7	Y321 L322 L323 E327 R329 F337	Y321-M325 HydrophobicContact CD1-CB 4.47Å; Y321-M325 HydrophobicContact CE1-CB 4.48Å; Y321-M325 VanDerWaalsContact O-CB 3.26Å; Y321-M325 WeakPolarHBondContact O-CB 3.19Å; Y321-M325 PolarHBondContact O-N 2.74Å; L322-M325 HydrophobicContact CD2-CE 3.82Å; L322-M325 WeakPolarHBondContact O-CB 3.44Å; L322-M325 PolarHBondContact O-N 3.11Å; L323-M325 VanDerWaalsContact C-N 3.34Å; L323-M325 PolarHBondContact O-N 2.98Å; M325-E327 VanDerWaalsContact C-N 3.31Å; M325-E327 PolarHBondContact O-N 3.16Å; M325-R329 WeakPolarHBondContact O-CB 3.05Å; M325-R329 VanDerWaalsContact O-CG 3.25Å; M325-R329 WeakPolarHBondContact O-CG 3.19Å; M325-R329 PolarHBondContact O-N 2.93Å; M325-R329 VanDerWaalsContact O-N 3.12Å; M325-R329 PolarHBondContact SD-NH2 3.38Å; M325-F337 HydrophobicContact CB-CB 4.29Å; M325-F337 WeakPolarHBondContact CG-O 3.25Å
326	E	92.9	Very high	92.4	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-43	175.2	-75.4	-174.4	173.6	0	0	111.3	R311 L322 L323	R311-E326 IonicContact CZ-OE2 2.81Å; R311-E326 IonicContact NE-OE2 2.78Å; R311-E326 PolarHBondContact NE-OE2 3.41Å; R311-E326 IonicContact NH2-OE1 3.88Å; R311-E326 PolarHBondContact NH2-OE1 3.17Å; R311-E326 VanDerWaalsContact NH2-OE1 3.08Å; R311-E326 IonicContact NH2-OE2 3.61Å; L322-E326 WeakPolarHBondContact O-CG 3.14Å; L322-E326 PolarHBondContact O-N 3.29Å; L323-E326 PolarHBondContact O-N 3.02Å
327	E	92.7	Very high	92.3	Very high	79 Å²	79	55 Å²	55	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-69.1	-47.1	-179.7	-171.9	57.1	-155.3	0	0	112.4	L323 H324 M325 R329 K330 H331	L323-E327 PolarHBondContact O-N 2.92Å; H324-E327 PolarHBondContact O-N 2.74Å; M325-E327 VanDerWaalsContact C-N 3.31Å; M325-E327 PolarHBondContact O-N 3.16Å; E327-R329 VanDerWaalsContact C-N 3.26Å; E327-R329 PolarHBondContact O-N 3.15Å; E327-K330 WeakPolarHBondContact O-CB 3.47Å; E327-K330 PolarHBondContact O-N 3.12Å; E327-K330 VanDerWaalsContact O-N 3.09Å; E327-K330 IonicContact OE2-NZ 2.87Å; E327-K330 PolarHBondContact OE2-NZ 3.48Å; E327-H331 PolarHBondContact O-CD2 2.92Å; E327-H331 IonicContact OE1-CD2 3.94Å; E327-H331 IonicContact OE1-CE1 3.87Å; E327-H331 IonicContact OE1-NE2 2.81Å; E327-H331 PolarHBondContact OE1-NE2 3.33Å
328	E	92.4	Very high	92.1	Very high	56 Å²	56	57 Å²	57	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-37.7	177.9	-78.7	-75.9	128.8	0	0	112.3	H324 K330 H331 N332 S335 F337	H324-E328 IonicContact CE1-OE1 3.47Å; H324-E328 WeakPolarHBondContact O-CB 3.49Å; H324-E328 WeakPolarHBondContact O-CG 3.37Å; H324-E328 PolarHBondContact O-N 2.99Å; E328-K330 VanDerWaalsContact C-N 3.26Å; E328-K330 PolarHBondContact O-N 3.08Å; E328-H331 PolarHBondContact O-N 2.92Å; E328-H331 VanDerWaalsContact O-N 3.15Å; E328-N332 PolarHBondContact O-N 3.12Å; E328-S335 PolarHBondContact OE2-OG 3.13Å; E328-F337 HydrophobicContact CG-CD2 3.98Å
329	R	90.4	Very high	91.9	Very high	129 Å²	129	61.4 Å²	61.4	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-26.1	178	-77.8	174.5	-180	-179.8	0.1	113.5	M325 E327 H331	M325-R329 WeakPolarHBondContact O-CB 3.05Å; M325-R329 VanDerWaalsContact O-CG 3.25Å; M325-R329 WeakPolarHBondContact O-CG 3.19Å; M325-R329 PolarHBondContact O-N 2.93Å; M325-R329 VanDerWaalsContact O-N 3.12Å; M325-R329 PolarHBondContact SD-NH2 3.38Å; E327-R329 VanDerWaalsContact C-N 3.26Å; E327-R329 PolarHBondContact O-N 3.15Å; R329-H331 VanDerWaalsContact C-N 3.31Å
330	K	89.6	Confident	91.7	Very high	144 Å²	144	65.6 Å²	65.6	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-69	-31.9	175	-63.6	172.6	-164.7	161.6	0	111.8	E327 E328	E327-K330 WeakPolarHBondContact O-CB 3.47Å; E327-K330 PolarHBondContact O-N 3.12Å; E327-K330 VanDerWaalsContact O-N 3.09Å; E327-K330 IonicContact OE2-NZ 2.87Å; E327-K330 PolarHBondContact OE2-NZ 3.48Å; E328-K330 VanDerWaalsContact C-N 3.26Å; E328-K330 PolarHBondContact O-N 3.08Å
331	H	86.9	Confident	91.7	Very high	142 Å²	142	63.9 Å²	63.9	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-99.2	-29.8	-175.9	-58.8	-67.6	0	0	0	113.1	E327 E328 R329	E327-H331 PolarHBondContact O-CD2 2.92Å; E327-H331 IonicContact OE1-CD2 3.94Å; E327-H331 IonicContact OE1-CE1 3.87Å; E327-H331 IonicContact OE1-NE2 2.81Å; E327-H331 PolarHBondContact OE1-NE2 3.33Å; E328-H331 PolarHBondContact O-N 2.92Å; E328-H331 VanDerWaalsContact O-N 3.15Å; R329-H331 VanDerWaalsContact C-N 3.31Å
332	N	86.8	Confident	91.7	Very high	73 Å²	73	63.9 Å²	63.9	39%	0.39	32%	0.316	S	S	.	.			trans	-147.8	105.7	-176.5	-179.1	12.1	0	0	0	111.6	E328 N334 S335	E328-N332 PolarHBondContact O-N 3.12Å; N332-N334 PolarHBondContact O-N 2.92Å; N332-N334 VanDerWaalsContact O-N 3.15Å; N332-N334 PolarHBondContact OD1-N 3.25Å; N332-S335 WeakPolarHBondContact O-CB 3.49Å; N332-S335 PolarHBondContact O-N 3.4Å; N332-S335 VanDerWaalsContact O-N 3.11Å
333	S	79.7	Confident	91.7	Very high	110 Å²	110	64.8 Å²	64.8	77%	0.769	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.3	176.6	57.3	0	0	0	0	114
334	N	82.1	Confident	91.7	Very high	143 Å²	143	64.5 Å²	64.5	77%	0.765	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	24.7	176.7	-66.9	-25.2	0	0	0	112.5	N332	N332-N334 PolarHBondContact O-N 2.92Å; N332-N334 VanDerWaalsContact O-N 3.15Å; N332-N334 PolarHBondContact OD1-N 3.25Å
335	S	88.6	Confident	91.8	Very high	19 Å²	19	62 Å²	62	13%	0.133	30%	0.304	C	S	.	.			trans	-62.6	144.9	177.2	-171.5	0	0	0	0	111.6	E328 N332 F337	E328-S335 PolarHBondContact OE2-OG 3.13Å; N332-S335 WeakPolarHBondContact O-CB 3.49Å; N332-S335 PolarHBondContact O-N 3.4Å; N332-S335 VanDerWaalsContact O-N 3.11Å; S335-F337 PolarHBondContact O-N 2.99Å; S335-F337 PolarHBondContact OG-N 3Å
336	S	88.9	Confident	91.9	Very high	18 Å²	18	61.4 Å²	61.4	13%	0.126	30%	0.302	C	S	.	.	S	Bend	trans	-79.5	-4.6	175.6	70.4	0	0	0	0	113.7	Q177 D338	Q177-S336 PolarHBondContact NE2-O 3.06Å; S336-D338 PolarHBondContact O-N 3.28Å
337	F	94.1	Very high	92.1	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.031	29%	0.291	C	S	.	.			trans	-82.3	99.3	172.9	-68.9	-86.4	0	0	0	108.9	Q177 F180 Y321 H324 M325 E328 S335	Q177-F337 VanDerWaalsContact OE1-CE1 3.24Å; F180-F337 HydrophobicContact CB-CE1 3.96Å; F180-F337 HydrophobicContact CB-CZ 4.01Å; F180-F337 HydrophobicContact CD1-CE1 4.18Å; F180-F337 HydrophobicContact CD2-CE1 4.3Å; F180-F337 AromaticContact CG-CE1 3.86Å; F180-F337 HydrophobicContact CG-CE1 3.86Å; F180-F337 HydrophobicContact CG-CZ 4.29Å; Y321-F337 HydrophobicContact CD2-CD1 4.34Å; Y321-F337 HydrophobicContact CE1-CD1 4.2Å; Y321-F337 AromaticContact CE2-CD1 3.62Å; Y321-F337 HydrophobicContact CE2-CD1 3.62Å; Y321-F337 AromaticContact CE2-CE1 3.96Å; Y321-F337 HydrophobicContact CE2-CE1 3.96Å; Y321-F337 AromaticContact CZ-CD1 3.56Å; H324-F337 AromaticContact CD2-CD1 3.64Å; H324-F337 AromaticContact CD2-CE1 3.5Å; H324-F337 VanDerWaalsContact CD2-CE1 3.5Å; H324-F337 WeakPolarHBondContact CD2-CE1 3.36Å; H324-F337 AromaticContact CD2-CE2 4Å; H324-F337 AromaticContact CD2-CG 3.97Å; H324-F337 AromaticContact CD2-CZ 3.69Å; H324-F337 AromaticContact NE2-CD2 4Å; H324-F337 AromaticContact NE2-CE1 3.85Å; H324-F337 AromaticContact NE2-CE2 3.58Å; H324-F337 AromaticContact NE2-CZ 3.5Å; H324-F337 WeakPolarHBondContact NE2-CZ 3.24Å; M325-F337 HydrophobicContact CB-CB 4.29Å; M325-F337 WeakPolarHBondContact CG-O 3.25Å; E328-F337 HydrophobicContact CG-CD2 3.98Å; S335-F337 PolarHBondContact O-N 2.99Å; S335-F337 PolarHBondContact OG-N 3Å
338	D	93.9	Very high	92.4	Very high	44 Å²	44	56.1 Å²	56.1	24%	0.235	28%	0.28	C	S	.	.			trans	-135	167.2	175	68.8	55.1	0	0	0	111.3	K163 Y321 S336 E340 Y341 L342	K163-D338 IonicContact NZ-OD1 3.11Å; K163-D338 IonicContact NZ-OD2 3.79Å; Y321-D338 PolarHBondContact OH-O 3.28Å; S336-D338 PolarHBondContact O-N 3.28Å; D338-E340 VanDerWaalsContact C-N 3.33Å; D338-E340 PolarHBondContact O-N 3.45Å; D338-E340 WeakPolarHBondContact OD1-CA 3.44Å; D338-E340 WeakPolarHBondContact OD1-CB 3.39Å; D338-E340 PolarHBondContact OD1-N 2.97Å; D338-Y341 PolarHBondContact O-N 2.89Å; D338-Y341 WeakPolarHBondContact OD1-CB 3.36Å; D338-Y341 PolarHBondContact OD1-N 3.3Å; D338-L342 PolarHBondContact O-N 3.05Å
339	E	93.9	Very high	92.6	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-34.8	-177.4	-172.4	-174.1	145.7	0	0	112.3	I302 Q306 Y341 L342 F343	I302-E339 HydrophobicContact CG2-CG 4.41Å; Q306-E339 PolarHBondContact NE2-OE2 2.92Å; E339-Y341 VanDerWaalsContact C-N 3.32Å; E339-Y341 PolarHBondContact O-N 3.41Å; E339-L342 WeakPolarHBondContact O-CB 3.26Å; E339-L342 PolarHBondContact O-N 3.47Å; E339-F343 PolarHBondContact O-N 3.46Å
340	E	94.3	Very high	92.9	Very high	97 Å²	97	48 Å²	48	45%	0.453	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-40	176.6	-175.2	-176.7	-164.4	0	0	110.2	K163 D338 F343 Y344	K163-E340 HydrophobicContact CD-CG 4.14Å; K163-E340 VanDerWaalsContact NZ-CD 3.33Å; K163-E340 IonicContact NZ-OE2 3.97Å; K163-E340 PolarHBondContact NZ-OE2 3.31Å; D338-E340 VanDerWaalsContact C-N 3.33Å; D338-E340 PolarHBondContact O-N 3.45Å; D338-E340 WeakPolarHBondContact OD1-CA 3.44Å; D338-E340 WeakPolarHBondContact OD1-CB 3.39Å; D338-E340 PolarHBondContact OD1-N 2.97Å; E340-F343 WeakPolarHBondContact O-CB 3.42Å; E340-F343 PolarHBondContact O-N 3.37Å; E340-Y344 HydrophobicContact CG-CD2 4.33Å; E340-Y344 HydrophobicContact CG-CE2 3.92Å; E340-Y344 WeakPolarHBondContact O-CD2 3.36Å; E340-Y344 PolarHBondContact O-N 3.11Å
341	Y	96.1	Very high	93.2	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-39.7	176.5	-145.1	-64.7	0	0	0	111.1	K163 G164 A168 I173 Q177 D338 E339 F343 Y344 I345	K163-Y341 HydrophobicContact CB-CD2 4.18Å; K163-Y341 HydrophobicContact CB-CE2 4.09Å; K163-Y341 HydrophobicContact CD-CD2 3.9Å; K163-Y341 HydrophobicContact CD-CE2 4.44Å; K163-Y341 HydrophobicContact CD-CG 4.42Å; K163-Y341 HydrophobicContact CG-CD2 3.92Å; K163-Y341 HydrophobicContact CG-CE2 3.95Å; G164-Y341 VanDerWaalsContact N-CE1 3.26Å; G164-Y341 VanDerWaalsContact O-CE1 3.24Å; G164-Y341 WeakPolarHBondContact O-CE1 3.28Å; G164-Y341 PolarHBondContact O-OH 3.32Å; A168-Y341 WeakPolarHBondContact CB-OH 3.23Å; I173-Y341 HydrophobicContact CG2-CE2 3.84Å; Q177-Y341 HydrophobicContact CB-CE1 4.05Å; Q177-Y341 HydrophobicContact CG-CD1 4.02Å; Q177-Y341 HydrophobicContact CG-CE1 3.55Å; D338-Y341 PolarHBondContact O-N 2.89Å; D338-Y341 WeakPolarHBondContact OD1-CB 3.36Å; D338-Y341 PolarHBondContact OD1-N 3.3Å; E339-Y341 VanDerWaalsContact C-N 3.32Å; E339-Y341 PolarHBondContact O-N 3.41Å; Y341-F343 VanDerWaalsContact C-N 3.32Å; Y341-F343 PolarHBondContact O-N 2.69Å; Y341-Y344 PolarHBondContact O-N 2.98Å; Y341-I345 HydrophobicContact CD1-CD1 3.59Å; Y341-I345 HydrophobicContact CD1-CG1 3.83Å; Y341-I345 HydrophobicContact CE1-CD1 3.88Å; Y341-I345 HydrophobicContact CE1-CG1 4Å; Y341-I345 WeakPolarHBondContact O-CG1 3.21Å; Y341-I345 PolarHBondContact O-N 3.2Å
342	L	97.4	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-48.1	171.7	173.6	56.3	0	0	0	111.3	I302 F317 I318 Y321 L322 D338 E339 Y344 I345 I346	I302-L342 HydrophobicContact CD1-CG 4.35Å; I302-L342 HydrophobicContact CG2-CD2 4.18Å; F317-L342 HydrophobicContact CD1-CD1 4.44Å; F317-L342 HydrophobicContact CE1-CD1 4.3Å; I318-L342 HydrophobicContact CG1-CD1 4.5Å; I318-L342 HydrophobicContact CG2-CD2 4.33Å; Y321-L342 HydrophobicContact CD1-CB 3.74Å; Y321-L342 HydrophobicContact CD1-CD1 3.77Å; Y321-L342 HydrophobicContact CD1-CD2 3.96Å; Y321-L342 HydrophobicContact CD1-CG 4.02Å; Y321-L342 HydrophobicContact CD2-CD1 4.09Å; Y321-L342 HydrophobicContact CE1-CB 3.57Å; Y321-L342 HydrophobicContact CE1-CD1 4.34Å; Y321-L342 HydrophobicContact CE1-CG 4.36Å; Y321-L342 HydrophobicContact CG-CB 4.41Å; Y321-L342 HydrophobicContact CG-CD1 3.62Å; Y321-L342 HydrophobicContact CG-CG 4.39Å; L322-L342 HydrophobicContact CD2-CD2 3.82Å; L322-L342 HydrophobicContact CG-CD2 4.21Å; D338-L342 PolarHBondContact O-N 3.05Å; E339-L342 WeakPolarHBondContact O-CB 3.26Å; E339-L342 PolarHBondContact O-N 3.47Å; L342-Y344 VanDerWaalsContact C-N 3.31Å; L342-Y344 PolarHBondContact O-N 3.12Å; L342-I345 PolarHBondContact O-N 3.42Å; L342-I345 VanDerWaalsContact O-N 3.16Å; L342-I346 HydrophobicContact CD1-CD1 4.48Å; L342-I346 HydrophobicContact CD1-CG1 3.64Å; L342-I346 HydrophobicContact CG-CG1 4.37Å; L342-I346 WeakPolarHBondContact O-CB 3.21Å; L342-I346 PolarHBondContact O-N 2.83Å
343	F	97.3	Very high	94.2	Very high	23 Å²	23	35.7 Å²	35.7	10%	0.101	20%	0.203	C	C	.	.	H	α-helix	trans	-53.4	-46.9	177.5	165.5	-95.6	0	0	0	112.3	T295 L298 K299 I302 E339 E340 Y341 G347	T295-F343 HydrophobicContact CG2-CE2 3.97Å; T295-F343 HydrophobicContact CG2-CZ 3.8Å; L298-F343 HydrophobicContact CB-CD2 4.05Å; L298-F343 HydrophobicContact CB-CE2 3.85Å; L298-F343 HydrophobicContact CD1-CE2 4.18Å; K299-F343 HydrophobicContact CG-CD2 4.02Å; K299-F343 HydrophobicContact CG-CE2 4.13Å; I302-F343 HydrophobicContact CD1-CB 3.97Å; I302-F343 HydrophobicContact CD1-CD2 4.32Å; E339-F343 PolarHBondContact O-N 3.46Å; E340-F343 WeakPolarHBondContact O-CB 3.42Å; E340-F343 PolarHBondContact O-N 3.37Å; Y341-F343 VanDerWaalsContact C-N 3.32Å; Y341-F343 PolarHBondContact O-N 2.69Å; F343-G347 PolarHBondContact O-N 2.76Å
344	Y	97.4	Very high	95	Very high	31 Å²	31	30.6 Å²	30.6	12%	0.122	17%	0.167	C	C	.	.	H	α-helix	trans	-69.7	-36.9	178.5	-73.6	-67.5	0	0	0	113.2	T160 K161 K163 E340 Y341 L342 G347 D348	T160-Y344 VanDerWaalsContact C-CE1 3.46Å; T160-Y344 WeakPolarHBondContact O-CD1 3.3Å; T160-Y344 VanDerWaalsContact O-CE1 3.28Å; T160-Y344 WeakPolarHBondContact O-CE1 3.43Å; K161-Y344 HydrophobicContact CB-CE2 3.92Å; K161-Y344 HydrophobicContact CG-CE2 3.99Å; K161-Y344 WeakPolarHBondContact CG-OH 3.34Å; K163-Y344 HydrophobicContact CB-CD2 3.45Å; K163-Y344 VanDerWaalsContact CB-CD2 3.45Å; K163-Y344 HydrophobicContact CB-CE2 4.19Å; K163-Y344 HydrophobicContact CB-CG 3.8Å; K163-Y344 HydrophobicContact CD-CD2 3.9Å; K163-Y344 HydrophobicContact CD-CE2 4.17Å; K163-Y344 HydrophobicContact CG-CD2 4.22Å; E340-Y344 HydrophobicContact CG-CD2 4.33Å; E340-Y344 HydrophobicContact CG-CE2 3.92Å; E340-Y344 WeakPolarHBondContact O-CD2 3.36Å; E340-Y344 PolarHBondContact O-N 3.11Å; Y341-Y344 PolarHBondContact O-N 2.98Å; L342-Y344 VanDerWaalsContact C-N 3.31Å; L342-Y344 PolarHBondContact O-N 3.12Å; Y344-G347 PolarHBondContact O-N 3.32Å; Y344-D348 WeakPolarHBondContact O-CB 3.35Å; Y344-D348 PolarHBondContact O-N 2.73Å
345	I	97.7	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-45.8	175.6	-70.8	175.1	0	0	0	110.7	V165 Q177 F317 Y321 Y341 L342 D348 L349	V165-I345 HydrophobicContact CG2-CG1 4.2Å; Q177-I345 HydrophobicContact CB-CD1 4.21Å; Q177-I345 HydrophobicContact CG-CD1 4.39Å; F317-I345 HydrophobicContact CE1-CG2 3.63Å; F317-I345 HydrophobicContact CZ-CG2 3.56Å; Y321-I345 HydrophobicContact CE2-CD1 3.66Å; Y341-I345 HydrophobicContact CD1-CD1 3.59Å; Y341-I345 HydrophobicContact CD1-CG1 3.83Å; Y341-I345 HydrophobicContact CE1-CD1 3.88Å; Y341-I345 HydrophobicContact CE1-CG1 4Å; Y341-I345 WeakPolarHBondContact O-CG1 3.21Å; Y341-I345 PolarHBondContact O-N 3.2Å; L342-I345 PolarHBondContact O-N 3.42Å; L342-I345 VanDerWaalsContact O-N 3.16Å; I345-D348 WeakPolarHBondContact O-CB 3.48Å; I345-D348 PolarHBondContact O-N 3.45Å; I345-L349 HydrophobicContact CG2-CD1 3.96Å; I345-L349 HydrophobicContact CG2-CG 4.26Å; I345-L349 VanDerWaalsContact O-CG 3.31Å; I345-L349 WeakPolarHBondContact O-CG 3.36Å; I345-L349 PolarHBondContact O-N 2.65Å
346	I	97.4	Very high	96.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-42.4	179.3	-78.5	-64.3	0	0	0	111.3	C236 F237 L298 F317 I318 L342 D348 L349 F350	C236-I346 HydrophobicContact CB-CD1 3.95Å; F237-I346 HydrophobicContact CE1-CD1 4.3Å; F237-I346 HydrophobicContact CE1-CG2 3.54Å; F237-I346 HydrophobicContact CZ-CG2 4.17Å; L298-I346 HydrophobicContact CD2-CG2 3.9Å; F317-I346 HydrophobicContact CD1-CD1 3.71Å; F317-I346 HydrophobicContact CD1-CG1 4.44Å; F317-I346 HydrophobicContact CE1-CD1 4.37Å; F317-I346 HydrophobicContact CG-CD1 4.37Å; I318-I346 HydrophobicContact CD1-CD1 4.06Å; I318-I346 HydrophobicContact CD1-CG1 4.26Å; I318-I346 HydrophobicContact CG1-CD1 3.53Å; I318-I346 HydrophobicContact CG1-CG1 3.81Å; L342-I346 HydrophobicContact CD1-CD1 4.48Å; L342-I346 HydrophobicContact CD1-CG1 3.64Å; L342-I346 HydrophobicContact CG-CG1 4.37Å; L342-I346 WeakPolarHBondContact O-CB 3.21Å; L342-I346 PolarHBondContact O-N 2.83Å; I346-D348 PolarHBondContact O-N 2.88Å; I346-L349 PolarHBondContact O-N 2.67Å; I346-F350 VanDerWaalsContact O-CB 3.24Å; I346-F350 WeakPolarHBondContact O-CB 3.21Å; I346-F350 PolarHBondContact O-N 2.8Å
347	G	97.1	Very high	96.6	Very high	9 Å²	9	24.1 Å²	24.1	9%	0.093	13%	0.131	C	C	.	.	H	α-helix	trans	-58.2	-46.9	171.7	0	0	0	0	0	112.4	F343 Y344 I351	F343-G347 PolarHBondContact O-N 2.76Å; Y344-G347 PolarHBondContact O-N 3.32Å; G347-I351 WeakPolarHBondContact O-CB 3.44Å; G347-I351 WeakPolarHBondContact O-CD1 3.46Å; G347-I351 VanDerWaalsContact O-CG1 3.25Å; G347-I351 WeakPolarHBondContact O-CG1 3.44Å; G347-I351 PolarHBondContact O-N 2.89Å
348	D	97.4	Very high	96.8	Very high	27 Å²	27	24 Å²	24	14%	0.144	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-49.1	177.2	-84.6	-8.2	0	0	0	112	V165 V166 Y344 I345 I346 A352	V165-D348 PolarHBondContact N-OD2 3.02Å; V166-D348 HydrophobicContact CG2-CB 3.94Å; V166-D348 PolarHBondContact N-OD2 2.78Å; Y344-D348 WeakPolarHBondContact O-CB 3.35Å; Y344-D348 PolarHBondContact O-N 2.73Å; I345-D348 WeakPolarHBondContact O-CB 3.48Å; I345-D348 PolarHBondContact O-N 3.45Å; I346-D348 PolarHBondContact O-N 2.88Å; D348-A352 WeakPolarHBondContact O-CB 3.35Å; D348-A352 PolarHBondContact O-N 3.33Å
349	L	97.6	Very high	97	Very high	15 Å²	15	22 Å²	22	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-47.7	-179.1	-69.9	179.8	0	0	0	111.6	L185 F317 I345 I346 G353 M491	L185-L349 HydrophobicContact CD1-CD1 4.41Å; L185-L349 HydrophobicContact CD1-CD2 3.83Å; F317-L349 HydrophobicContact CD1-CD1 4.35Å; F317-L349 HydrophobicContact CD2-CD1 3.88Å; F317-L349 HydrophobicContact CE1-CD1 4.2Å; F317-L349 HydrophobicContact CE2-CD1 3.66Å; F317-L349 HydrophobicContact CG-CD1 4.22Å; F317-L349 HydrophobicContact CZ-CD1 3.86Å; I345-L349 HydrophobicContact CG2-CD1 3.96Å; I345-L349 HydrophobicContact CG2-CG 4.26Å; I345-L349 VanDerWaalsContact O-CG 3.31Å; I345-L349 WeakPolarHBondContact O-CG 3.36Å; I345-L349 PolarHBondContact O-N 2.65Å; I346-L349 PolarHBondContact O-N 2.67Å; L349-G353 PolarHBondContact O-N 2.85Å; L349-M491 HydrophobicContact CD2-CE 3.4Å
350	F	97.1	Very high	97.3	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-47.4	-177.9	-179.6	-134.8	0	0	0	111.7	I232 C233 F237 F248 M251 L252 M255 F297 L298 I346 T354	I232-F350 HydrophobicContact CG2-CD2 4.07Å; C233-F350 WeakPolarHBondContact SG-CE2 3.49Å; F237-F350 HydrophobicContact CE2-CD1 4.5Å; F237-F350 HydrophobicContact CE2-CD2 4.15Å; F237-F350 HydrophobicContact CE2-CE2 4.35Å; F237-F350 HydrophobicContact CE2-CG 4.26Å; F237-F350 HydrophobicContact CZ-CB 4.02Å; F237-F350 HydrophobicContact CZ-CD1 4.18Å; F237-F350 HydrophobicContact CZ-CD2 4.13Å; F237-F350 AromaticContact CZ-CG 3.85Å; F237-F350 HydrophobicContact CZ-CG 3.85Å; F248-F350 HydrophobicContact CE2-CE2 4.09Å; F248-F350 AromaticContact CE2-CZ 3.68Å; F248-F350 HydrophobicContact CE2-CZ 3.68Å; F248-F350 HydrophobicContact CZ-CE2 4.2Å; F248-F350 HydrophobicContact CZ-CZ 4.14Å; M251-F350 HydrophobicContact CG-CE1 4.1Å; L252-F350 HydrophobicContact CD2-CE2 4.49Å; L252-F350 HydrophobicContact CD2-CZ 4Å; M255-F350 HydrophobicContact CE-CD1 3.93Å; M255-F350 HydrophobicContact CE-CD2 4.47Å; M255-F350 HydrophobicContact CE-CE1 3.82Å; M255-F350 HydrophobicContact CE-CE2 4.33Å; M255-F350 HydrophobicContact CE-CG 4.26Å; M255-F350 HydrophobicContact CE-CZ 4.02Å; M255-F350 HydrophobicContact SD-CD1 3.86Å; M255-F350 HydrophobicContact SD-CE1 3.27Å; M255-F350 WeakPolarHBondContact SD-CE1 3.43Å; M255-F350 HydrophobicContact SD-CZ 3.66Å; F297-F350 HydrophobicContact CE1-CE1 4.17Å; L298-F350 HydrophobicContact CD2-CD1 4.09Å; I346-F350 VanDerWaalsContact O-CB 3.24Å; I346-F350 WeakPolarHBondContact O-CB 3.21Å; I346-F350 PolarHBondContact O-N 2.8Å; F350-T354 WeakPolarHBondContact O-CB 3.24Å; F350-T354 PolarHBondContact O-N 3.43Å; F350-T354 VanDerWaalsContact O-N 3.11Å; F350-T354 PolarHBondContact O-OG1 3.1Å
351	I	96.4	Very high	97.5	Very high	41 Å²	41	13.5 Å²	13.5	21%	0.21	8%	0.081	C	C	.	.	H	α-helix	trans	-68.8	-47	179.9	-61.9	165.9	0	0	0	111.5	M255 L259 G347 T354 D355	M255-I351 HydrophobicContact CE-CB 4.22Å; M255-I351 HydrophobicContact CE-CG1 3.87Å; M255-I351 HydrophobicContact CG-CG1 4.17Å; L259-I351 HydrophobicContact CD1-CG2 3.9Å; L259-I351 HydrophobicContact CD2-CG2 4.15Å; L259-I351 HydrophobicContact CG-CG2 4.26Å; G347-I351 WeakPolarHBondContact O-CB 3.44Å; G347-I351 WeakPolarHBondContact O-CD1 3.46Å; G347-I351 VanDerWaalsContact O-CG1 3.25Å; G347-I351 WeakPolarHBondContact O-CG1 3.44Å; G347-I351 PolarHBondContact O-N 2.89Å; I351-T354 PolarHBondContact O-N 3.38Å; I351-D355 PolarHBondContact O-N 2.88Å
352	A	96.7	Very high	97.6	Very high	46 Å²	46	12.8 Å²	12.8	38%	0.38	8%	0.079	S	C	.	.	H	α-helix	trans	-65.9	-44	-177.9	0	0	0	0	0	112	D348 T354 T356	D348-A352 WeakPolarHBondContact O-CB 3.35Å; D348-A352 PolarHBondContact O-N 3.33Å; A352-T354 VanDerWaalsContact C-N 3.34Å; A352-T356 WeakPolarHBondContact O-CB 3.42Å; A352-T356 WeakPolarHBondContact O-CG2 3.27Å; A352-T356 PolarHBondContact O-OG1 2.8Å
353	G	96.1	Very high	97.6	Very high	13 Å²	13	12.9 Å²	12.9	13%	0.134	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-37.5	178.8	0	0	0	0	0	112.7	V228 L349 T357	V228-G353 WeakPolarHBondContact CG1-O 3.49Å; L349-G353 PolarHBondContact O-N 2.85Å; G353-T357 PolarHBondContact O-OG1 2.83Å
354	T	97.6	Very high	97.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-73	-64	-178.7	-63.4	0	0	0	0	112.8	S229 L252 M255 F350 I351 A352 T356 T358	S229-T354 WeakPolarHBondContact OG-CG2 3.45Å; S229-T354 PolarHBondContact OG-OG1 3.26Å; L252-T354 HydrophobicContact CD2-CG2 4.08Å; M255-T354 HydrophobicContact CE-CG2 3.83Å; F350-T354 WeakPolarHBondContact O-CB 3.24Å; F350-T354 PolarHBondContact O-N 3.43Å; F350-T354 VanDerWaalsContact O-N 3.11Å; F350-T354 PolarHBondContact O-OG1 3.1Å; I351-T354 PolarHBondContact O-N 3.38Å; A352-T354 VanDerWaalsContact C-N 3.34Å; T354-T356 PolarHBondContact O-N 3.32Å; T354-T358 WeakPolarHBondContact O-CB 3.48Å; T354-T358 PolarHBondContact O-N 2.85Å; T354-T358 VanDerWaalsContact O-N 3.08Å; T354-T358 PolarHBondContact O-OG1 3.02Å
355	D	96.7	Very high	97.8	Very high	6 Å²	6	10.4 Å²	10.4	3%	0.032	7%	0.069	C	C	.	.	H	α-helix	trans	-72.5	-35.7	-163.5	-169.3	83.3	0	0	0	111.6	S256 L259 I351 N359 T531	S256-D355 PolarHBondContact OG-OD1 3.4Å; L259-D355 HydrophobicContact CD1-CB 3.58Å; L259-D355 WeakPolarHBondContact CD1-OD2 3.5Å; I351-D355 PolarHBondContact O-N 2.88Å; D355-N359 WeakPolarHBondContact O-CB 3.32Å; D355-N359 VanDerWaalsContact O-CG 3.26Å; D355-N359 PolarHBondContact O-N 2.71Å; D355-N359 PolarHBondContact O-ND2 3.22Å; D355-N359 PolarHBondContact OD2-ND2 3.18Å; D355-T531 VanDerWaalsContact OD2-CB 3.29Å; D355-T531 WeakPolarHBondContact OD2-CB 3.19Å; D355-T531 VanDerWaalsContact OD2-CG2 3.29Å; D355-T531 WeakPolarHBondContact OD2-CG2 3.23Å; D355-T531 PolarHBondContact OD2-OG1 3.08Å
356	T	98.1	Very high	97.8	Very high	34 Å²	34	10.5 Å²	10.5	21%	0.209	7%	0.069	C	C	.	.	H	α-helix	trans	-70.4	-47.8	-177.5	65.4	0	0	0	0	112.9	A352 T354 S360 V416 V417 T531	A352-T356 WeakPolarHBondContact O-CB 3.42Å; A352-T356 WeakPolarHBondContact O-CG2 3.27Å; A352-T356 PolarHBondContact O-OG1 2.8Å; T354-T356 PolarHBondContact O-N 3.32Å; T356-S360 WeakPolarHBondContact O-CB 3.28Å; T356-S360 PolarHBondContact O-N 3.47Å; T356-S360 PolarHBondContact O-OG 2.81Å; T356-V416 HydrophobicContact CG2-CG1 4.49Å; T356-V417 HydrophobicContact CG2-CG2 4.39Å; T356-T531 HydrophobicContact CG2-CG2 4.07Å
357	T	98.4	Very high	97.8	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.018	7%	0.072	C	C	.	.	H	α-helix	trans	-71.4	-37.9	179.5	-53.9	0	0	0	0	111	V228 G353 S360 L361 E499 L500	V228-T357 HydrophobicContact CG1-CG2 3.96Å; V228-T357 HydrophobicContact CG2-CG2 4.02Å; G353-T357 PolarHBondContact O-OG1 2.83Å; T357-S360 PolarHBondContact O-N 2.93Å; T357-L361 HydrophobicContact CG2-CD1 4.32Å; T357-L361 PolarHBondContact O-N 2.8Å; T357-E499 HydrophobicContact CG2-CB 3.87Å; T357-L500 HydrophobicContact CG2-CD2 4.43Å; T357-L500 HydrophobicContact CG2-CG 4.41Å
358	T	98.6	Very high	97.9	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.031	7%	0.068	C	C	.	.	H	α-helix	trans	-56	-54.5	173.4	-63.8	0	0	0	0	111.1	I224 S225 T354 S360 L361 L362	I224-T358 HydrophobicContact CG2-CG2 4.2Å; S225-T358 WeakPolarHBondContact CA-OG1 3.38Å; T354-T358 WeakPolarHBondContact O-CB 3.48Å; T354-T358 PolarHBondContact O-N 2.85Å; T354-T358 VanDerWaalsContact O-N 3.08Å; T354-T358 PolarHBondContact O-OG1 3.02Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 PolarHBondContact O-N 3.4Å; T358-L361 PolarHBondContact O-N 2.99Å; T358-L362 HydrophobicContact CG2-CD1 3.72Å; T358-L362 HydrophobicContact CG2-CG 4.31Å; T358-L362 WeakPolarHBondContact O-CB 3.27Å; T358-L362 VanDerWaalsContact O-CG 3.25Å; T358-L362 WeakPolarHBondContact O-CG 3.29Å; T358-L362 PolarHBondContact O-N 2.87Å
359	N	98.4	Very high	97.9	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.011	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-37.7	-179	-74.2	-36.5	0	0	0	111.7	D355 L362 W363 V416 A533	D355-N359 WeakPolarHBondContact O-CB 3.32Å; D355-N359 VanDerWaalsContact O-CG 3.26Å; D355-N359 PolarHBondContact O-N 2.71Å; D355-N359 PolarHBondContact O-ND2 3.22Å; D355-N359 PolarHBondContact OD2-ND2 3.18Å; N359-L362 PolarHBondContact O-N 2.89Å; N359-W363 WeakPolarHBondContact O-CB 3.13Å; N359-W363 PolarHBondContact O-N 3.46Å; N359-V416 HydrophobicContact CB-CG2 3.8Å; N359-A533 WeakPolarHBondContact OD1-CA 3.48Å; N359-A533 WeakPolarHBondContact OD1-CB 3.35Å
360	S	98.6	Very high	97.8	Very high	7 Å²	7	11.5 Å²	11.5	5%	0.049	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-45.7	176.6	-59.9	0	0	0	0	112.1	T356 T357 T358 W363 C364	T356-S360 WeakPolarHBondContact O-CB 3.28Å; T356-S360 PolarHBondContact O-N 3.47Å; T356-S360 PolarHBondContact O-OG 2.81Å; T357-S360 PolarHBondContact O-N 2.93Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 PolarHBondContact O-N 3.4Å; S360-W363 PolarHBondContact O-N 2.8Å; S360-C364 PolarHBondContact O-N 3.22Å; S360-C364 PolarHBondContact O-SG 3.31Å
361	L	98.8	Very high	97.9	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-39.4	175.7	-76.9	172.9	0	0	0	112.5	I224 V228 T357 T358 W363 C364 L365 L500 M503 F504	I224-L361 HydrophobicContact CG2-CB 3.75Å; I224-L361 HydrophobicContact CG2-CD1 4.04Å; V228-L361 HydrophobicContact CG2-CD1 3.71Å; T357-L361 HydrophobicContact CG2-CD1 4.32Å; T357-L361 PolarHBondContact O-N 2.8Å; T358-L361 PolarHBondContact O-N 2.99Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.03Å; L361-C364 WeakPolarHBondContact O-CB 3.45Å; L361-C364 PolarHBondContact O-N 3.34Å; L361-C364 VanDerWaalsContact O-N 3.15Å; L361-L365 WeakPolarHBondContact O-CG 3.19Å; L361-L365 PolarHBondContact O-N 2.99Å; L361-L500 HydrophobicContact CD2-CD2 3.9Å; L361-L500 HydrophobicContact CG-CD2 3.83Å; L361-M503 HydrophobicContact CD1-CB 3.92Å; L361-M503 HydrophobicContact CD1-CG 4.28Å; L361-M503 HydrophobicContact CD2-CB 3.96Å; L361-F504 HydrophobicContact CD2-CB 4.44Å
362	L	98.6	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-40.2	175.6	-70.4	170.8	0	0	0	111.6	P220 F221 I224 T358 N359 L365 L366 P534 F537	P220-L362 HydrophobicContact CB-CD2 4.04Å; P220-L362 HydrophobicContact CG-CD2 3.75Å; F221-L362 HydrophobicContact CB-CD1 4.48Å; F221-L362 HydrophobicContact CD1-CD1 3.48Å; F221-L362 VanDerWaalsContact CD1-CD1 3.48Å; F221-L362 HydrophobicContact CD2-CD1 4.15Å; F221-L362 HydrophobicContact CD2-CD2 4.06Å; F221-L362 HydrophobicContact CE1-CD1 3.61Å; F221-L362 HydrophobicContact CE2-CD1 4.26Å; F221-L362 HydrophobicContact CE2-CD2 4.41Å; F221-L362 HydrophobicContact CG-CD1 3.79Å; F221-L362 HydrophobicContact CG-CD2 4.26Å; F221-L362 HydrophobicContact CZ-CD1 4.02Å; I224-L362 HydrophobicContact CB-CD2 4.09Å; I224-L362 HydrophobicContact CB-CG 4.4Å; I224-L362 HydrophobicContact CG1-CD2 4.01Å; I224-L362 HydrophobicContact CG2-CD2 4.47Å; I224-L362 HydrophobicContact CG2-CG 4.29Å; T358-L362 HydrophobicContact CG2-CD1 3.72Å; T358-L362 HydrophobicContact CG2-CG 4.31Å; T358-L362 WeakPolarHBondContact O-CB 3.27Å; T358-L362 VanDerWaalsContact O-CG 3.25Å; T358-L362 WeakPolarHBondContact O-CG 3.29Å; T358-L362 PolarHBondContact O-N 2.87Å; N359-L362 PolarHBondContact O-N 2.89Å; L362-L365 PolarHBondContact O-N 3.46Å; L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 PolarHBondContact O-N 3.25Å; L362-P534 HydrophobicContact CB-CG 3.65Å; L362-P534 HydrophobicContact CD1-CG 4.48Å; L362-F537 HydrophobicContact CB-CE1 4.45Å; L362-F537 WeakPolarHBondContact O-CZ 3.35Å
363	W	98.7	Very high	98	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-43.7	170.6	-80.5	121.5	0	0	0	111.7	N359 S360 L361 L365 L366 Y367 V410 T414 L524 L532 P534	N359-W363 WeakPolarHBondContact O-CB 3.13Å; N359-W363 PolarHBondContact O-N 3.46Å; S360-W363 PolarHBondContact O-N 2.8Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.03Å; W363-L365 PolarHBondContact O-N 3.18Å; W363-L366 HydrophobicContact CE3-CD2 3.89Å; W363-L366 HydrophobicContact CZ3-CD2 3.71Å; W363-L366 PolarHBondContact O-N 3.14Å; W363-Y367 HydrophobicContact CE3-CD2 4.22Å; W363-Y367 AromaticContact CE3-CE2 3.77Å; W363-Y367 HydrophobicContact CE3-CE2 3.77Å; W363-Y367 HydrophobicContact CZ3-CE2 4.28Å; W363-Y367 VanDerWaalsContact O-CD2 3.31Å; W363-Y367 WeakPolarHBondContact O-CD2 3.3Å; W363-Y367 PolarHBondContact O-N 2.86Å; W363-V410 HydrophobicContact CB-CG1 3.7Å; W363-T414 HydrophobicContact CB-CG2 3.83Å; W363-T414 HydrophobicContact CD2-CG2 3.38Å; W363-T414 HydrophobicContact CE3-CG2 3.72Å; W363-T414 HydrophobicContact CG-CG2 3.43Å; W363-T414 VanDerWaalsContact CG-CG2 3.43Å; W363-T414 HydrophobicContact CZ3-CG2 4.42Å; W363-L524 HydrophobicContact CZ3-CD2 4.08Å; W363-L532 HydrophobicContact CZ2-CD2 4.35Å; W363-L532 HydrophobicContact CZ2-CG 4.33Å; W363-L532 PolarHBondContact NE1-O 3.21Å; W363-P534 HydrophobicContact CD2-CB 4.03Å; W363-P534 HydrophobicContact CD2-CG 4.24Å; W363-P534 HydrophobicContact CE3-CB 4.16Å; W363-P534 HydrophobicContact CG-CG 4.43Å; W363-P534 HydrophobicContact CH2-CB 4.09Å; W363-P534 HydrophobicContact CZ2-CB 3.96Å; W363-P534 HydrophobicContact CZ3-CB 4.19Å
364	C	98.7	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-56.3	-49.3	175.2	-69.4	0	0	0	0	111.3	S360 L361 L366 Y367 M368 F504	S360-C364 PolarHBondContact O-N 3.22Å; S360-C364 PolarHBondContact O-SG 3.31Å; L361-C364 WeakPolarHBondContact O-CB 3.45Å; L361-C364 PolarHBondContact O-N 3.34Å; L361-C364 VanDerWaalsContact O-N 3.15Å; C364-L366 VanDerWaalsContact C-N 3.32Å; C364-L366 PolarHBondContact O-N 2.82Å; C364-Y367 PolarHBondContact O-N 2.98Å; C364-M368 WeakPolarHBondContact O-CB 3.37Å; C364-M368 VanDerWaalsContact O-CG 3.26Å; C364-M368 WeakPolarHBondContact O-CG 3.1Å; C364-M368 PolarHBondContact O-N 3.42Å; C364-F504 HydrophobicContact CB-CD2 3.7Å; C364-F504 HydrophobicContact CB-CE2 3.86Å
365	L	98.6	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-43.1	177.2	-71.4	178.2	0	0	0	112.3	P220 I224 L361 L362 W363 M368 S369 L507 M508 F513 F537 I539	P220-L365 HydrophobicContact CB-CD1 4.01Å; P220-L365 HydrophobicContact CG-CD1 4.37Å; I224-L365 HydrophobicContact CD1-CD1 4.06Å; I224-L365 HydrophobicContact CG1-CD1 3.97Å; L361-L365 WeakPolarHBondContact O-CG 3.19Å; L361-L365 PolarHBondContact O-N 2.99Å; L362-L365 PolarHBondContact O-N 3.46Å; W363-L365 PolarHBondContact O-N 3.18Å; L365-M368 PolarHBondContact O-N 2.87Å; L365-S369 WeakPolarHBondContact O-CB 3.28Å; L365-S369 PolarHBondContact O-N 3.22Å; L365-S369 PolarHBondContact O-OG 3.25Å; L365-L507 HydrophobicContact CD2-CD1 4.19Å; L365-M508 HydrophobicContact CD2-CE 3.94Å; L365-F513 HydrophobicContact CD2-CD1 4.04Å; L365-F513 HydrophobicContact CD2-CD2 4.08Å; L365-F513 HydrophobicContact CD2-CE1 3.8Å; L365-F513 HydrophobicContact CD2-CE2 3.87Å; L365-F513 HydrophobicContact CD2-CG 4.16Å; L365-F513 HydrophobicContact CD2-CZ 3.72Å; L365-F537 HydrophobicContact CB-CZ 4.41Å; L365-I539 HydrophobicContact CD1-CD1 4.33Å
366	L	98.2	Very high	98.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-46.3	178.5	-179.7	55.1	0	0	0	111.9	L362 W363 C364 S369 L370 L515 P522 L524 P534 F537	L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 PolarHBondContact O-N 3.25Å; W363-L366 HydrophobicContact CE3-CD2 3.89Å; W363-L366 HydrophobicContact CZ3-CD2 3.71Å; W363-L366 PolarHBondContact O-N 3.14Å; C364-L366 VanDerWaalsContact C-N 3.32Å; C364-L366 PolarHBondContact O-N 2.82Å; L366-S369 PolarHBondContact O-N 2.8Å; L366-L370 HydrophobicContact CD1-CD1 3.92Å; L366-L370 HydrophobicContact CD1-CG 4.38Å; L366-L370 HydrophobicContact CG-CD1 4.04Å; L366-L370 WeakPolarHBondContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.11Å; L366-L515 HydrophobicContact CD1-CD2 4.44Å; L366-P522 HydrophobicContact CD1-CB 3.8Å; L366-P522 HydrophobicContact CD1-CG 3.8Å; L366-P522 HydrophobicContact CD2-CB 4.5Å; L366-L524 HydrophobicContact CD2-CD2 3.9Å; L366-L524 HydrophobicContact CG-CD2 4.27Å; L366-P534 HydrophobicContact CD2-CB 4.14Å; L366-F537 HydrophobicContact CB-CE1 4.02Å; L366-F537 HydrophobicContact CB-CE2 4.02Å; L366-F537 HydrophobicContact CB-CZ 3.76Å; L366-F537 HydrophobicContact CD1-CD1 4.4Å; L366-F537 HydrophobicContact CD1-CD2 3.98Å; L366-F537 HydrophobicContact CD1-CE2 4.26Å; L366-F537 HydrophobicContact CD1-CG 4.07Å; L366-F537 HydrophobicContact CD2-CD1 4.25Å; L366-F537 HydrophobicContact CD2-CE1 4.36Å
367	Y	98.3	Very high	98.3	Very high	17 Å²	17	23.6 Å²	23.6	7%	0.067	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-39	177.5	-86.4	-82.5	0	0	0	111.9	W363 C364 L370 N371 V410 L413 T414 F462	W363-Y367 HydrophobicContact CE3-CD2 4.22Å; W363-Y367 AromaticContact CE3-CE2 3.77Å; W363-Y367 HydrophobicContact CE3-CE2 3.77Å; W363-Y367 HydrophobicContact CZ3-CE2 4.28Å; W363-Y367 VanDerWaalsContact O-CD2 3.31Å; W363-Y367 WeakPolarHBondContact O-CD2 3.3Å; W363-Y367 PolarHBondContact O-N 2.86Å; C364-Y367 PolarHBondContact O-N 2.98Å; Y367-L370 PolarHBondContact O-N 2.79Å; Y367-N371 WeakPolarHBondContact O-CB 3.38Å; Y367-N371 PolarHBondContact O-N 3.31Å; Y367-N371 PolarHBondContact O-ND2 3.24Å; Y367-V410 HydrophobicContact CD2-CG1 4.13Å; Y367-V410 HydrophobicContact CD2-CG2 4.22Å; Y367-V410 HydrophobicContact CG-CG2 4.22Å; Y367-L413 HydrophobicContact CE1-CD1 3.78Å; Y367-T414 HydrophobicContact CD2-CG2 4.44Å; Y367-T414 HydrophobicContact CE2-CG2 3.62Å; Y367-F462 HydrophobicContact CD1-CB 4.05Å; Y367-F462 HydrophobicContact CD1-CD1 4.04Å; Y367-F462 AromaticContact CD1-CD2 3.6Å; Y367-F462 HydrophobicContact CD1-CD2 3.6Å; Y367-F462 HydrophobicContact CD1-CE1 4.38Å; Y367-F462 HydrophobicContact CD1-CE2 4.02Å; Y367-F462 AromaticContact CD1-CG 3.62Å; Y367-F462 HydrophobicContact CD1-CG 3.62Å; Y367-F462 HydrophobicContact CD1-CZ 4.38Å; Y367-F462 HydrophobicContact CE1-CB 3.93Å; Y367-F462 AromaticContact CE1-CD2 3.92Å; Y367-F462 HydrophobicContact CE1-CD2 3.92Å; Y367-F462 AromaticContact CE1-CG 3.97Å; Y367-F462 HydrophobicContact CE1-CG 3.97Å; Y367-F462 HydrophobicContact CG-CD2 4.29Å; Y367-F462 HydrophobicContact CG-CE2 4.28Å
368	M	98.5	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-39	175.5	-68.3	-54.3	93.8	0	0	112.1	C364 L365 L370 N371 V374 Q375 T406 F462 F504 M508	C364-M368 WeakPolarHBondContact O-CB 3.37Å; C364-M368 VanDerWaalsContact O-CG 3.26Å; C364-M368 WeakPolarHBondContact O-CG 3.1Å; C364-M368 PolarHBondContact O-N 3.42Å; L365-M368 PolarHBondContact O-N 2.87Å; M368-L370 PolarHBondContact O-N 3.05Å; M368-N371 CarbonylContact O-C 3.15Å; M368-N371 PolarHBondContact O-N 2.99Å; M368-V374 HydrophobicContact CE-CB 4.48Å; M368-V374 HydrophobicContact CE-CG1 3.84Å; M368-V374 HydrophobicContact SD-CG1 4.37Å; M368-Q375 HydrophobicContact CB-CB 4.35Å; M368-Q375 HydrophobicContact CB-CG 4.02Å; M368-Q375 HydrophobicContact CG-CG 4.41Å; M368-Q375 PolarHBondContact O-NE2 3.31Å; M368-Q375 HydrophobicContact SD-CB 4.09Å; M368-Q375 HydrophobicContact SD-CG 4.25Å; M368-T406 HydrophobicContact CE-CG2 3.5Å; M368-T406 VanDerWaalsContact CE-CG2 3.5Å; M368-T406 HydrophobicContact SD-CG2 4.12Å; M368-F462 HydrophobicContact CE-CE1 3.89Å; M368-F462 HydrophobicContact CE-CZ 3.66Å; M368-F504 HydrophobicContact CG-CE2 3.62Å; M368-F504 HydrophobicContact CG-CZ 3.92Å; M368-F504 HydrophobicContact SD-CE2 4.15Å; M368-F504 HydrophobicContact SD-CZ 3.82Å; M368-M508 HydrophobicContact CB-CE 4.22Å; M368-M508 HydrophobicContact CB-SD 4.12Å; M368-M508 HydrophobicContact CG-CE 3.99Å; M368-M508 HydrophobicContact CG-SD 3.78Å; M368-M508 HydrophobicContact SD-SD 4.49Å
369	S	97.2	Very high	98.3	Very high	12 Å²	12	24.1 Å²	24.1	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-23.4	176.4	-55.5	0	0	0	0	113.2	L365 L366	L365-S369 WeakPolarHBondContact O-CB 3.28Å; L365-S369 PolarHBondContact O-N 3.22Å; L365-S369 PolarHBondContact O-OG 3.25Å; L366-S369 PolarHBondContact O-N 2.8Å
370	L	96.4	Very high	98.3	Very high	44 Å²	44	29.2 Å²	29.2	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-92.8	-21.5	179	-77.4	167.6	0	0	0	113.8	L366 Y367 M368 L515 L524	L366-L370 HydrophobicContact CD1-CD1 3.92Å; L366-L370 HydrophobicContact CD1-CG 4.38Å; L366-L370 HydrophobicContact CG-CD1 4.04Å; L366-L370 WeakPolarHBondContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.11Å; Y367-L370 PolarHBondContact O-N 2.79Å; M368-L370 PolarHBondContact O-N 3.05Å; L370-L515 HydrophobicContact CD2-CD1 3.51Å; L370-L515 HydrophobicContact CG-CD1 4.15Å; L370-L524 HydrophobicContact CD1-CD1 4.47Å; L370-L524 HydrophobicContact CD1-CD2 3.75Å
371	N	97.6	Very high	98.3	Very high	39 Å²	39	29.3 Å²	29.3	21%	0.209	15%	0.15	C	C	.	.			trans	-128.8	73.2	-173.4	-56.8	-87.2	0	0	0	109.5	Y367 M368 D373 V374 Q375 F462	Y367-N371 WeakPolarHBondContact O-CB 3.38Å; Y367-N371 PolarHBondContact O-N 3.31Å; Y367-N371 PolarHBondContact O-ND2 3.24Å; M368-N371 CarbonylContact O-C 3.15Å; M368-N371 PolarHBondContact O-N 2.99Å; N371-D373 PolarHBondContact O-N 3.5Å; N371-V374 HydrophobicContact CB-CB 4.07Å; N371-V374 HydrophobicContact CB-CG2 4.07Å; N371-V374 PolarHBondContact O-N 2.97Å; N371-V374 VanDerWaalsContact O-N 3.15Å; N371-Q375 PolarHBondContact O-N 3.5Å; N371-F462 HydrophobicContact CB-CD1 4.17Å; N371-F462 HydrophobicContact CB-CE1 4.14Å
372	P	97.2	Very high	98.3	Very high	87 Å²	87	29.1 Å²	29.1	57%	0.565	15%	0.149	S	C	*	.	H	α-helix	trans	-62.5	-28.6	-175.2	25.1	-34.5	0	0	0	113.1	Q375 E376	P372-Q375 PolarHBondContact O-N 2.92Å; P372-E376 WeakPolarHBondContact O-CB 3.39Å; P372-E376 PolarHBondContact O-N 2.82Å
373	D	98.4	Very high	98.3	Very high	94 Å²	94	32.8 Å²	32.8	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-66	-40.6	174.7	65	-50.5	0	0	0	112.5	N371 K377	N371-D373 PolarHBondContact O-N 3.5Å; D373-K377 WeakPolarHBondContact O-CG 3.16Å; D373-K377 PolarHBondContact O-N 3.19Å
374	V	98.8	Very high	98.2	Very high	8 Å²	8	41 Å²	41	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-69.3	-42.1	174	176.1	0	0	0	0	110.2	M368 N371 E376 K377 V378 Y402 T406 F462 P464	M368-V374 HydrophobicContact CE-CB 4.48Å; M368-V374 HydrophobicContact CE-CG1 3.84Å; M368-V374 HydrophobicContact SD-CG1 4.37Å; N371-V374 HydrophobicContact CB-CB 4.07Å; N371-V374 HydrophobicContact CB-CG2 4.07Å; N371-V374 PolarHBondContact O-N 2.97Å; N371-V374 VanDerWaalsContact O-N 3.15Å; V374-E376 VanDerWaalsContact C-N 3.31Å; V374-E376 PolarHBondContact O-N 3.48Å; V374-K377 PolarHBondContact O-N 2.76Å; V374-V378 WeakPolarHBondContact O-CG2 3.48Å; V374-V378 PolarHBondContact O-N 3.5Å; V374-Y402 HydrophobicContact CG1-CE1 4.2Å; V374-T406 HydrophobicContact CG1-CG2 3.83Å; V374-F462 HydrophobicContact CB-CE1 4.14Å; V374-F462 HydrophobicContact CG1-CE1 3.87Å; V374-F462 HydrophobicContact CG1-CZ 4.25Å; V374-F462 HydrophobicContact CG2-CD1 4.41Å; V374-F462 HydrophobicContact CG2-CE1 3.99Å; V374-P464 HydrophobicContact CG1-CG 3.89Å; V374-P464 HydrophobicContact CG2-CG 4.41Å
375	Q	98.7	Very high	98.2	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-42	177.7	-164.5	-172.9	150.2	0	0	111.8	M368 N371 P372 V378 H379 M508 A512 F513	M368-Q375 HydrophobicContact CB-CB 4.35Å; M368-Q375 HydrophobicContact CB-CG 4.02Å; M368-Q375 HydrophobicContact CG-CG 4.41Å; M368-Q375 PolarHBondContact O-NE2 3.31Å; M368-Q375 HydrophobicContact SD-CB 4.09Å; M368-Q375 HydrophobicContact SD-CG 4.25Å; N371-Q375 PolarHBondContact O-N 3.5Å; P372-Q375 PolarHBondContact O-N 2.92Å; Q375-V378 PolarHBondContact O-N 3.08Å; Q375-H379 PolarHBondContact O-N 3.12Å; Q375-M508 HydrophobicContact CG-SD 3.79Å; Q375-A512 VanDerWaalsContact OE1-CA 3.26Å; Q375-F513 PolarHBondContact NE2-O 3.18Å
376	E	98.6	Very high	98.2	Very high	72 Å²	72	42.9 Å²	42.9	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-66.5	-43.3	178.5	-164.8	57.3	-143.7	0	0	111.8	P372 V374 V378 H379 E380 R544	P372-E376 WeakPolarHBondContact O-CB 3.39Å; P372-E376 PolarHBondContact O-N 2.82Å; V374-E376 VanDerWaalsContact C-N 3.31Å; V374-E376 PolarHBondContact O-N 3.48Å; E376-V378 VanDerWaalsContact C-N 3.3Å; E376-V378 PolarHBondContact O-N 3.07Å; E376-H379 CarbonylContact O-C 3.55Å; E376-H379 WeakPolarHBondContact O-CA 3.47Å; E376-H379 WeakPolarHBondContact O-CB 3.21Å; E376-H379 PolarHBondContact O-N 3.41Å; E376-H379 IonicContact OE1-CD2 2.77Å; E376-E380 WeakPolarHBondContact O-CG 3.33Å; E376-E380 PolarHBondContact O-N 2.8Å; E376-R544 IonicContact OE1-NH1 3.86Å; E376-R544 PolarHBondContact OE1-NH1 3.28Å; E376-R544 IonicContact OE2-CZ 3.46Å; E376-R544 VanDerWaalsContact OE2-CZ 3.29Å; E376-R544 IonicContact OE2-NH1 3.26Å; E376-R544 PolarHBondContact OE2-NH1 2.96Å; E376-R544 IonicContact OE2-NH2 2.99Å; E376-R544 PolarHBondContact OE2-NH2 3.23Å
377	K	98.6	Very high	98.1	Very high	92 Å²	92	43.7 Å²	43.7	40%	0.4	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-37.2	175.1	-73.1	171.5	178.7	172.4	0	113.2	D373 V374 E381 Y402	D373-K377 WeakPolarHBondContact O-CG 3.16Å; D373-K377 PolarHBondContact O-N 3.19Å; V374-K377 PolarHBondContact O-N 2.76Å; K377-E381 PolarHBondContact O-N 3.08Å; K377-E381 VanDerWaalsContact O-N 3.15Å; K377-Y402 HydrophobicContact CB-CD1 3.89Å; K377-Y402 HydrophobicContact CB-CE1 3.31Å; K377-Y402 HydrophobicContact CD-CE1 4.16Å; K377-Y402 HydrophobicContact CD-CE2 4.16Å; K377-Y402 VanDerWaalsContact CD-OH 3.28Å; K377-Y402 WeakPolarHBondContact CD-OH 3.44Å; K377-Y402 HydrophobicContact CG-CE1 4.4Å
378	V	98.8	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-47.1	171.6	168.1	0	0	0	0	109.8	V374 Q375 E376 E381 I382 Y402 T403 T406 F504 M508	V374-V378 WeakPolarHBondContact O-CG2 3.48Å; V374-V378 PolarHBondContact O-N 3.5Å; Q375-V378 PolarHBondContact O-N 3.08Å; E376-V378 VanDerWaalsContact C-N 3.3Å; E376-V378 PolarHBondContact O-N 3.07Å; V378-E381 PolarHBondContact O-N 3.2Å; V378-I382 HydrophobicContact CG1-CD1 3.8Å; V378-I382 HydrophobicContact CG1-CG1 4.45Å; V378-I382 VanDerWaalsContact O-CG1 3.27Å; V378-I382 WeakPolarHBondContact O-CG1 3.47Å; V378-I382 PolarHBondContact O-N 3.13Å; V378-Y402 HydrophobicContact CG2-CD1 3.93Å; V378-Y402 HydrophobicContact CG2-CE1 3.93Å; V378-T403 HydrophobicContact CG1-CG2 4.35Å; V378-T406 HydrophobicContact CG2-CG2 4.06Å; V378-F504 HydrophobicContact CG1-CE1 3.77Å; V378-F504 HydrophobicContact CG1-CZ 4.21Å; V378-F504 HydrophobicContact CG2-CE1 4.42Å; V378-F504 HydrophobicContact CG2-CZ 4.49Å; V378-M508 HydrophobicContact CG1-CB 4.08Å; V378-M508 HydrophobicContact CG1-CG 4.05Å
379	H	98.6	Very high	97.3	Very high	19 Å²	19	53.5 Å²	53.5	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-42.2	179.7	-174.8	72.5	0	0	0	112.9	Q375 E376 E381 I382 E383 M508 R544	Q375-H379 PolarHBondContact O-N 3.12Å; E376-H379 CarbonylContact O-C 3.55Å; E376-H379 WeakPolarHBondContact O-CA 3.47Å; E376-H379 WeakPolarHBondContact O-CB 3.21Å; E376-H379 PolarHBondContact O-N 3.41Å; E376-H379 IonicContact OE1-CD2 2.77Å; H379-E381 VanDerWaalsContact C-N 3.3Å; H379-E381 PolarHBondContact O-N 2.53Å; H379-I382 WeakPolarHBondContact O-CB 3.31Å; H379-I382 PolarHBondContact O-N 2.99Å; H379-I382 VanDerWaalsContact O-N 3.11Å; H379-E383 IonicContact CE1-OE1 3.29Å; H379-E383 PolarHBondContact O-N 3.29Å; H379-M508 PolarHBondContact ND1-O 2.6Å; H379-R544 PolarHBondContact CD2-NH1 2.99Å; H379-R544 WeakPolarHBondContact CE1-CD 3.41Å; H379-R544 VanDerWaalsContact ND1-CD 3.26Å; H379-R544 WeakPolarHBondContact ND1-CD 3.41Å
380	E	98.4	Very high	97.3	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-40.8	174.1	-73	173.5	177.2	0	0	112	E376 R384	E376-E380 WeakPolarHBondContact O-CG 3.33Å; E376-E380 PolarHBondContact O-N 2.8Å; E380-R384 WeakPolarHBondContact O-CB 3.45Å; E380-R384 PolarHBondContact O-N 3.46Å
381	E	98.6	Very high	97.2	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-39.2	174.8	178.3	169.5	-100.8	0	0	112.2	K377 V378 H379 R384 V385 M400 P401 Y402 T403	K377-E381 PolarHBondContact O-N 3.08Å; K377-E381 VanDerWaalsContact O-N 3.15Å; V378-E381 PolarHBondContact O-N 3.2Å; H379-E381 VanDerWaalsContact C-N 3.3Å; H379-E381 PolarHBondContact O-N 2.53Å; E381-R384 PolarHBondContact O-N 2.97Å; E381-R384 IonicContact OE1-NH2 2.89Å; E381-R384 PolarHBondContact OE1-NH2 3.37Å; E381-V385 HydrophobicContact CG-CG2 4.48Å; E381-V385 WeakPolarHBondContact O-CG2 3.31Å; E381-V385 PolarHBondContact O-N 3.31Å; E381-M400 VanDerWaalsContact CD-CA 3.4Å; E381-M400 HydrophobicContact CG-CB 4.18Å; E381-M400 HydrophobicContact CG-CG 4.15Å; E381-M400 VanDerWaalsContact OE2-C 3.23Å; E381-M400 WeakPolarHBondContact OE2-CA 3.43Å; E381-P401 WeakPolarHBondContact OE1-CD 3.29Å; E381-Y402 WeakPolarHBondContact OE1-CB 3.35Å; E381-Y402 PolarHBondContact OE1-N 3.03Å; E381-Y402 PolarHBondContact OE2-N 2.84Å; E381-T403 VanDerWaalsContact OE2-CB 3.23Å; E381-T403 WeakPolarHBondContact OE2-CB 3.28Å; E381-T403 PolarHBondContact OE2-N 3.2Å; E381-T403 PolarHBondContact OE2-OG1 3.43Å
382	I	98.7	Very high	97.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-48.6	173.9	-69.1	168.9	0	0	0	110.8	V378 H379 R384 V385 I386 G387 M400 V505 M508 Q509	V378-I382 HydrophobicContact CG1-CD1 3.8Å; V378-I382 HydrophobicContact CG1-CG1 4.45Å; V378-I382 VanDerWaalsContact O-CG1 3.27Å; V378-I382 WeakPolarHBondContact O-CG1 3.47Å; V378-I382 PolarHBondContact O-N 3.13Å; H379-I382 WeakPolarHBondContact O-CB 3.31Å; H379-I382 PolarHBondContact O-N 2.99Å; H379-I382 VanDerWaalsContact O-N 3.11Å; I382-R384 VanDerWaalsContact C-N 3.29Å; I382-R384 PolarHBondContact O-N 3.13Å; I382-V385 PolarHBondContact O-N 3.26Å; I382-I386 HydrophobicContact CG2-CB 4.47Å; I382-I386 WeakPolarHBondContact O-CA 3.32Å; I382-I386 WeakPolarHBondContact O-CB 3.38Å; I382-I386 PolarHBondContact O-N 2.94Å; I382-G387 PolarHBondContact O-N 3.41Å; I382-M400 HydrophobicContact CB-CE 4.35Å; I382-M400 HydrophobicContact CG1-CE 3.45Å; I382-M400 VanDerWaalsContact CG1-CE 3.45Å; I382-V505 HydrophobicContact CD1-CG1 3.95Å; I382-V505 HydrophobicContact CG1-CG1 3.98Å; I382-V505 HydrophobicContact CG2-CG1 4.5Å; I382-M508 HydrophobicContact CD1-CB 3.62Å; I382-Q509 HydrophobicContact CG2-CB 3.84Å; I382-Q509 HydrophobicContact CG2-CG 3.85Å
383	E	98.1	Very high	97.2	Very high	77 Å²	77	53.4 Å²	53.4	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-39.4	179.2	-78.3	-59.3	112.5	0	0	111.7	H379 G387 A388	H379-E383 IonicContact CE1-OE1 3.29Å; H379-E383 PolarHBondContact O-N 3.29Å; E383-G387 WeakPolarHBondContact O-CA 3.5Å; E383-G387 PolarHBondContact O-N 2.91Å; E383-A388 WeakPolarHBondContact OE1-CA 3.17Å; E383-A388 PolarHBondContact OE1-N 3.41Å
384	R	98.1	Very high	97	Very high	172 Å²	172	50.5 Å²	50.5	65%	0.649	26%	0.258	S	S	*	.	H	α-helix	trans	-66.4	-41.2	178.2	-175.4	-178.8	66.4	-131.2	1.6	113.4	E380 E381 I382	E380-R384 WeakPolarHBondContact O-CB 3.45Å; E380-R384 PolarHBondContact O-N 3.46Å; E381-R384 PolarHBondContact O-N 2.97Å; E381-R384 IonicContact OE1-NH2 2.89Å; E381-R384 PolarHBondContact OE1-NH2 3.37Å; I382-R384 VanDerWaalsContact C-N 3.29Å; I382-R384 PolarHBondContact O-N 3.13Å
385	V	98.4	Very high	96.9	Very high	28 Å²	28	54.2 Å²	54.2	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-95.4	-38.4	-171.2	177.4	0	0	0	0	112.5	E381 I382 R390 D396 Q399 M400	E381-V385 HydrophobicContact CG-CG2 4.48Å; E381-V385 WeakPolarHBondContact O-CG2 3.31Å; E381-V385 PolarHBondContact O-N 3.31Å; I382-V385 PolarHBondContact O-N 3.26Å; V385-R390 PolarHBondContact O-NH2 3Å; V385-R390 VanDerWaalsContact O-NH2 3.12Å; V385-D396 HydrophobicContact CG1-CB 4.2Å; V385-Q399 HydrophobicContact CG1-CB 3.93Å; V385-Q399 HydrophobicContact CG2-CB 4.22Å; V385-Q399 WeakPolarHBondContact CG2-O 3.24Å; V385-M400 HydrophobicContact CB-CG 4.06Å; V385-M400 HydrophobicContact CB-SD 4.47Å; V385-M400 HydrophobicContact CG1-CG 3.92Å; V385-M400 HydrophobicContact CG1-SD 4.27Å; V385-M400 HydrophobicContact CG2-CG 4.02Å
386	I	98	Very high	96.8	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.077	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-42.4	-172.5	-54.9	175	0	0	0	111	I382 R390 P392 D396 M400 V505	I382-I386 HydrophobicContact CG2-CB 4.47Å; I382-I386 WeakPolarHBondContact O-CA 3.32Å; I382-I386 WeakPolarHBondContact O-CB 3.38Å; I382-I386 PolarHBondContact O-N 2.94Å; I386-R390 HydrophobicContact CG2-CB 4.07Å; I386-R390 HydrophobicContact CG2-CG 4.5Å; I386-R390 WeakPolarHBondContact CG2-O 3.43Å; I386-P392 HydrophobicContact CD1-CB 4Å; I386-P392 HydrophobicContact CD1-CG 4.24Å; I386-D396 HydrophobicContact CD1-CB 4.21Å; I386-D396 HydrophobicContact CG1-CB 4.18Å; I386-M400 HydrophobicContact CD1-CE 4.03Å; I386-M400 HydrophobicContact CD1-SD 3.65Å; I386-M400 HydrophobicContact CG1-SD 4.16Å; I386-V505 HydrophobicContact CD1-CG1 3.62Å
387	G	96.1	Very high	96.7	Very high	19 Å²	19	53 Å²	53	20%	0.196	28%	0.275	C	S	.	.			trans	75.7	173.4	-171.6	0	0	0	0	0	112.8	I382 E383 N389 Q509	I382-G387 PolarHBondContact O-N 3.41Å; E383-G387 WeakPolarHBondContact O-CA 3.5Å; E383-G387 PolarHBondContact O-N 2.91Å; G387-N389 PolarHBondContact O-N 3.19Å; G387-Q509 PolarHBondContact O-NE2 3.24Å
388	A	90.5	Very high	96.5	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	29%	0.29	S	S	.	.	S	Bend	trans	-65.4	-29	-171	0	0	0	0	0	116.2	E383	E383-A388 WeakPolarHBondContact OE1-CA 3.17Å; E383-A388 PolarHBondContact OE1-N 3.41Å
389	N	90.2	Very high	96.4	Very high	166 Å²	166	58.6 Å²	58.6	89%	0.888	32%	0.317	S	S	*	.	S	Bend	trans	-106.1	-22.8	-165.5	-66.4	-47.5	0	0	0	115	G387	G387-N389 PolarHBondContact O-N 3.19Å
390	R	95.8	Very high	96.4	Very high	103 Å²	103	57.7 Å²	57.7	39%	0.389	31%	0.313	S	S	.	.	S	Bend	trans	-84.4	135.8	-175.9	-175.1	177.7	63.2	89.2	-21.3	109.8	V385 I386 D396 Q509	V385-R390 PolarHBondContact O-NH2 3Å; V385-R390 VanDerWaalsContact O-NH2 3.12Å; I386-R390 HydrophobicContact CG2-CB 4.07Å; I386-R390 HydrophobicContact CG2-CG 4.5Å; I386-R390 WeakPolarHBondContact CG2-O 3.43Å; R390-D396 IonicContact CZ-OD1 2.68Å; R390-D396 IonicContact CZ-OD2 3.93Å; R390-D396 IonicContact NH1-OD1 2.78Å; R390-D396 PolarHBondContact NH1-OD1 3.09Å; R390-D396 IonicContact NH1-OD2 3.02Å; R390-D396 PolarHBondContact NH1-OD2 3.16Å; R390-D396 VanDerWaalsContact NH2-CG 3.33Å; R390-D396 IonicContact NH2-OD1 3.4Å; R390-D396 PolarHBondContact NH2-OD1 3.03Å; R390-D396 IonicContact NH2-OD2 3.36Å; R390-D396 PolarHBondContact NH2-OD2 3.28Å; R390-Q509 PolarHBondContact O-NE2 3.2Å
391	A	96.3	Very high	96.4	Very high	51 Å²	51	53.3 Å²	53.3	42%	0.421	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-65.6	143	172.7	0	0	0	0	0	111.2	I200	I200-A391 HydrophobicContact CG2-CB 3.88Å
392	P	97.1	Very high	96.4	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.032	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.7	146.6	174.6	-24.1	36	0	0	0	112.8	I386 L502 V505	I386-P392 HydrophobicContact CD1-CB 4Å; I386-P392 HydrophobicContact CD1-CG 4.24Å; P392-L502 HydrophobicContact CB-CD2 4.23Å; P392-V505 HydrophobicContact CB-CB 4.17Å; P392-V505 HydrophobicContact CB-CG1 3.7Å; P392-V505 HydrophobicContact CG-CB 4.09Å; P392-V505 HydrophobicContact CG-CG1 3.45Å; P392-V505 VanDerWaalsContact CG-CG1 3.45Å
393	S	96.6	Very high	96.4	Very high	22 Å²	22	54.1 Å²	54.1	15%	0.154	30%	0.297	C	S	.	.			trans	-131.3	156.3	172.2	-179.8	0	0	0	0	110.6	E196 T395 D396	E196-S393 PolarHBondContact OE1-OG 3.05Å; E196-S393 WeakPolarHBondContact OE2-CB 3.45Å; E196-S393 PolarHBondContact OE2-OG 3.34Å; S393-T395 PolarHBondContact O-N 3.4Å; S393-T395 PolarHBondContact OG-N 3.22Å; S393-T395 PolarHBondContact OG-OG1 2.96Å; S393-D396 PolarHBondContact N-OD2 2.69Å; S393-D396 VanDerWaalsContact O-CB 3.28Å; S393-D396 WeakPolarHBondContact O-CB 3.47Å; S393-D396 PolarHBondContact O-N 3.5Å
394	L	95.3	Very high	96.4	Very high	33 Å²	33	52.2 Å²	52.2	17%	0.173	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.3	175.8	-60.5	165.2	0	0	0	112.4	L193 E196 D396 K397 M498 F501 L502	L193-L394 HydrophobicContact CD2-CB 4.13Å; L193-L394 HydrophobicContact CD2-CD1 4.37Å; E196-L394 HydrophobicContact CG-CD1 3.92Å; E196-L394 HydrophobicContact CG-CG 4.16Å; E196-L394 WeakPolarHBondContact OE1-CA 3.16Å; E196-L394 WeakPolarHBondContact OE1-CB 3.41Å; E196-L394 VanDerWaalsContact OE1-CD1 3.22Å; E196-L394 WeakPolarHBondContact OE1-CD1 3.42Å; E196-L394 WeakPolarHBondContact OE1-CG 3.26Å; E196-L394 PolarHBondContact OE1-N 3.46Å; L394-D396 PolarHBondContact O-N 3.05Å; L394-K397 WeakPolarHBondContact O-CB 3.43Å; L394-K397 PolarHBondContact O-N 3.2Å; L394-M498 HydrophobicContact CD1-CB 4.14Å; L394-M498 HydrophobicContact CD1-CE 3.48Å; L394-M498 VanDerWaalsContact CD1-CE 3.48Å; L394-M498 HydrophobicContact CD1-CG 3.49Å; L394-M498 VanDerWaalsContact CD1-CG 3.49Å; L394-M498 HydrophobicContact CD1-SD 3.95Å; L394-M498 HydrophobicContact CD2-CB 4.05Å; L394-M498 HydrophobicContact CD2-CG 3.9Å; L394-M498 HydrophobicContact CG-CG 4.36Å; L394-F501 HydrophobicContact CD2-CD1 4.07Å; L394-L502 HydrophobicContact CD2-CD1 4.25Å; L394-L502 HydrophobicContact CD2-CD2 4.29Å; L394-L502 HydrophobicContact CD2-CG 4.04Å; L394-L502 HydrophobicContact CG-CD1 4.23Å; L394-L502 HydrophobicContact CG-CD2 4.31Å; L394-L502 HydrophobicContact CG-CG 4.36Å
395	T	96.2	Very high	96.4	Very high	85 Å²	85	44 Å²	44	52%	0.521	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.5	172.4	60	0	0	0	0	112.3	L193 S393 K397	L193-T395 HydrophobicContact CD1-CG2 4.41Å; L193-T395 HydrophobicContact CD2-CG2 4.26Å; S393-T395 PolarHBondContact O-N 3.4Å; S393-T395 PolarHBondContact OG-N 3.22Å; S393-T395 PolarHBondContact OG-OG1 2.96Å; T395-K397 VanDerWaalsContact C-N 3.31Å
396	D	96.8	Very high	96.5	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.048	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.8	176.6	-58.3	-44.9	0	0	0	112	V385 I386 R390 S393 L394 A398 Q399 M400	V385-D396 HydrophobicContact CG1-CB 4.2Å; I386-D396 HydrophobicContact CD1-CB 4.21Å; I386-D396 HydrophobicContact CG1-CB 4.18Å; R390-D396 IonicContact CZ-OD1 2.68Å; R390-D396 IonicContact CZ-OD2 3.93Å; R390-D396 IonicContact NH1-OD1 2.78Å; R390-D396 PolarHBondContact NH1-OD1 3.09Å; R390-D396 IonicContact NH1-OD2 3.02Å; R390-D396 PolarHBondContact NH1-OD2 3.16Å; R390-D396 VanDerWaalsContact NH2-CG 3.33Å; R390-D396 IonicContact NH2-OD1 3.4Å; R390-D396 PolarHBondContact NH2-OD1 3.03Å; R390-D396 IonicContact NH2-OD2 3.36Å; R390-D396 PolarHBondContact NH2-OD2 3.28Å; S393-D396 PolarHBondContact N-OD2 2.69Å; S393-D396 VanDerWaalsContact O-CB 3.28Å; S393-D396 WeakPolarHBondContact O-CB 3.47Å; S393-D396 PolarHBondContact O-N 3.5Å; L394-D396 PolarHBondContact O-N 3.05Å; D396-A398 VanDerWaalsContact C-N 3.27Å; D396-A398 PolarHBondContact O-N 2.91Å; D396-A398 VanDerWaalsContact O-N 3.11Å; D396-Q399 WeakPolarHBondContact O-CB 3.31Å; D396-Q399 PolarHBondContact O-N 2.78Å; D396-M400 HydrophobicContact CB-SD 3.96Å; D396-M400 PolarHBondContact O-N 3.28Å
397	K	94.9	Very high	96.5	Very high	44 Å²	44	42.6 Å²	42.6	19%	0.191	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-51.8	-41.4	-170.9	-176.9	175.8	171.2	174.6	0	113.8	L394 T395 Q399 M400 E404 F501	L394-K397 WeakPolarHBondContact O-CB 3.43Å; L394-K397 PolarHBondContact O-N 3.2Å; T395-K397 VanDerWaalsContact C-N 3.31Å; K397-Q399 PolarHBondContact O-N 2.99Å; K397-M400 PolarHBondContact O-N 2.78Å; K397-M400 VanDerWaalsContact O-N 3.1Å; K397-E404 WeakPolarHBondContact CE-OE1 3.32Å; K397-E404 WeakPolarHBondContact CE-OE2 3.3Å; K397-E404 IonicContact NZ-OE1 3.91Å; K397-E404 PolarHBondContact NZ-OE1 3.28Å; K397-E404 IonicContact NZ-OE2 3Å; K397-F501 VanDerWaalsContact CA-CZ 3.46Å; K397-F501 HydrophobicContact CB-CD1 4.41Å; K397-F501 HydrophobicContact CB-CD2 4.41Å; K397-F501 HydrophobicContact CB-CE1 3.94Å; K397-F501 HydrophobicContact CB-CE2 3.93Å; K397-F501 HydrophobicContact CB-CZ 3.67Å; K397-F501 HydrophobicContact CD-CD2 4.26Å; K397-F501 HydrophobicContact CD-CG 4.36Å; K397-F501 HydrophobicContact CG-CD2 4.01Å; K397-F501 HydrophobicContact CG-CE2 3.81Å; K397-F501 HydrophobicContact CG-CG 4.46Å; K397-F501 HydrophobicContact CG-CZ 4.1Å
398	A	94.8	Very high	96.6	Very high	86 Å²	86	42.4 Å²	42.4	71%	0.711	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.2	-20.8	-179.3	0	0	0	0	0	113.5	D396	D396-A398 VanDerWaalsContact C-N 3.27Å; D396-A398 PolarHBondContact O-N 2.91Å; D396-A398 VanDerWaalsContact O-N 3.11Å
399	Q	97.5	Very high	97	Very high	122 Å²	122	39.8 Å²	39.8	57%	0.57	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-98.6	2.8	178.7	-62	176.2	72.2	0	0	112.4	V385 D396 K397 P401	V385-Q399 HydrophobicContact CG1-CB 3.93Å; V385-Q399 HydrophobicContact CG2-CB 4.22Å; V385-Q399 WeakPolarHBondContact CG2-O 3.24Å; D396-Q399 WeakPolarHBondContact O-CB 3.31Å; D396-Q399 PolarHBondContact O-N 2.78Å; K397-Q399 PolarHBondContact O-N 2.99Å; Q399-P401 VanDerWaalsContact O-CD 3.29Å; Q399-P401 WeakPolarHBondContact O-CD 3.36Å
400	M	98.3	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.			trans	-121.7	56.9	-176.7	-60.7	178.4	70.8	0	0	112.4	E381 I382 V385 I386 D396 K397 Y402 T403 E404 F501 V505	E381-M400 VanDerWaalsContact CD-CA 3.4Å; E381-M400 HydrophobicContact CG-CB 4.18Å; E381-M400 HydrophobicContact CG-CG 4.15Å; E381-M400 VanDerWaalsContact OE2-C 3.23Å; E381-M400 WeakPolarHBondContact OE2-CA 3.43Å; I382-M400 HydrophobicContact CB-CE 4.35Å; I382-M400 HydrophobicContact CG1-CE 3.45Å; I382-M400 VanDerWaalsContact CG1-CE 3.45Å; V385-M400 HydrophobicContact CB-CG 4.06Å; V385-M400 HydrophobicContact CB-SD 4.47Å; V385-M400 HydrophobicContact CG1-CG 3.92Å; V385-M400 HydrophobicContact CG1-SD 4.27Å; V385-M400 HydrophobicContact CG2-CG 4.02Å; I386-M400 HydrophobicContact CD1-CE 4.03Å; I386-M400 HydrophobicContact CD1-SD 3.65Å; I386-M400 HydrophobicContact CG1-SD 4.16Å; D396-M400 HydrophobicContact CB-SD 3.96Å; D396-M400 PolarHBondContact O-N 3.28Å; K397-M400 PolarHBondContact O-N 2.78Å; K397-M400 VanDerWaalsContact O-N 3.1Å; M400-Y402 VanDerWaalsContact C-N 3.31Å; M400-Y402 PolarHBondContact O-N 2.89Å; M400-T403 HydrophobicContact CE-CG2 4.13Å; M400-T403 PolarHBondContact O-N 2.84Å; M400-E404 PolarHBondContact O-N 2.94Å; M400-F501 HydrophobicContact CB-CE2 4.49Å; M400-F501 HydrophobicContact SD-CE2 4.37Å; M400-F501 HydrophobicContact SD-CZ 3.76Å; M400-V505 HydrophobicContact CE-CG1 4.14Å; M400-V505 HydrophobicContact CE-CG2 4.06Å
401	P	98.3	Very high	97.5	Very high	18 Å²	18	27.8 Å²	27.8	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-34.1	-174.8	27.3	-35.9	0	0	0	112.8	E381 Q399 E404 A405 L468 G472 L474	E381-P401 WeakPolarHBondContact OE1-CD 3.29Å; Q399-P401 VanDerWaalsContact O-CD 3.29Å; Q399-P401 WeakPolarHBondContact O-CD 3.36Å; P401-E404 PolarHBondContact O-N 2.88Å; P401-A405 WeakPolarHBondContact O-CB 3.48Å; P401-A405 PolarHBondContact O-N 2.8Å; P401-L468 HydrophobicContact CB-CD2 3.92Å; P401-G472 VanDerWaalsContact CB-O 3.25Å; P401-G472 WeakPolarHBondContact CB-O 3.47Å; P401-G472 WeakPolarHBondContact CG-O 3.41Å; P401-L474 HydrophobicContact CB-CB 4.45Å
402	Y	98.7	Very high	97.6	Very high	26 Å²	26	25.3 Å²	25.3	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-39.2	-179.3	-172.1	-93.2	0	0	0	112	V374 K377 V378 E381 M400 A405 T406 P464 N465 L468	V374-Y402 HydrophobicContact CG1-CE1 4.2Å; K377-Y402 HydrophobicContact CB-CD1 3.89Å; K377-Y402 HydrophobicContact CB-CE1 3.31Å; K377-Y402 HydrophobicContact CD-CE1 4.16Å; K377-Y402 HydrophobicContact CD-CE2 4.16Å; K377-Y402 VanDerWaalsContact CD-OH 3.28Å; K377-Y402 WeakPolarHBondContact CD-OH 3.44Å; K377-Y402 HydrophobicContact CG-CE1 4.4Å; V378-Y402 HydrophobicContact CG2-CD1 3.93Å; V378-Y402 HydrophobicContact CG2-CE1 3.93Å; E381-Y402 WeakPolarHBondContact OE1-CB 3.35Å; E381-Y402 PolarHBondContact OE1-N 3.03Å; E381-Y402 PolarHBondContact OE2-N 2.84Å; M400-Y402 VanDerWaalsContact C-N 3.31Å; M400-Y402 PolarHBondContact O-N 2.89Å; Y402-A405 PolarHBondContact O-N 2.96Å; Y402-T406 WeakPolarHBondContact O-CB 3.48Å; Y402-T406 PolarHBondContact O-N 3.45Å; Y402-T406 PolarHBondContact O-OG1 3.19Å; Y402-P464 HydrophobicContact CE2-CB 4.41Å; Y402-N465 WeakPolarHBondContact CE2-OD1 3.35Å; Y402-L468 HydrophobicContact CD2-CD1 3.74Å
403	T	98.7	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-47.6	173.8	-60.6	0	0	0	0	110.6	V378 E381 M400 T406 I407 F501 F504 V505	V378-T403 HydrophobicContact CG1-CG2 4.35Å; E381-T403 VanDerWaalsContact OE2-CB 3.23Å; E381-T403 WeakPolarHBondContact OE2-CB 3.28Å; E381-T403 PolarHBondContact OE2-N 3.2Å; E381-T403 PolarHBondContact OE2-OG1 3.43Å; M400-T403 HydrophobicContact CE-CG2 4.13Å; M400-T403 PolarHBondContact O-N 2.84Å; T403-T406 WeakPolarHBondContact O-CB 3.1Å; T403-T406 PolarHBondContact O-N 3.05Å; T403-I407 HydrophobicContact CG2-CD1 4.39Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 2.77Å; T403-F501 HydrophobicContact CG2-CE2 4.18Å; T403-F504 HydrophobicContact CG2-CD1 4.03Å; T403-F504 HydrophobicContact CG2-CE1 3.98Å; T403-V505 HydrophobicContact CG2-CG2 3.72Å
404	E	98.4	Very high	97.5	Very high	36 Å²	36	24.3 Å²	24.3	17%	0.168	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-43.5	177.1	-177.1	163.5	-161.6	0	0	111.6	K397 M400 P401 T406 I407 M408 L474	K397-E404 WeakPolarHBondContact CE-OE1 3.32Å; K397-E404 WeakPolarHBondContact CE-OE2 3.3Å; K397-E404 IonicContact NZ-OE1 3.91Å; K397-E404 PolarHBondContact NZ-OE1 3.28Å; K397-E404 IonicContact NZ-OE2 3Å; M400-E404 PolarHBondContact O-N 2.94Å; P401-E404 PolarHBondContact O-N 2.88Å; E404-T406 VanDerWaalsContact C-N 3.27Å; E404-T406 PolarHBondContact O-N 2.89Å; E404-I407 PolarHBondContact O-N 3.07Å; E404-M408 HydrophobicContact CG-CG 4.36Å; E404-M408 HydrophobicContact CG-SD 3.94Å; E404-M408 WeakPolarHBondContact O-CB 3.26Å; E404-M408 VanDerWaalsContact O-CG 3.28Å; E404-M408 WeakPolarHBondContact O-CG 3.33Å; E404-M408 PolarHBondContact O-N 2.98Å; E404-L474 HydrophobicContact CB-CD1 4.12Å; E404-L474 HydrophobicContact CB-CD2 4.4Å; E404-L474 HydrophobicContact CG-CD1 3.99Å; E404-L474 HydrophobicContact CG-CD2 3.68Å; E404-L474 HydrophobicContact CG-CG 4.49Å; E404-L474 WeakPolarHBondContact OE2-CD2 3.46Å
405	A	98.6	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-38.8	174.3	0	0	0	0	0	112.4	P401 Y402 M408 E409 P464 F467 L468 L474	P401-A405 WeakPolarHBondContact O-CB 3.48Å; P401-A405 PolarHBondContact O-N 2.8Å; Y402-A405 PolarHBondContact O-N 2.96Å; A405-M408 PolarHBondContact O-N 2.98Å; A405-E409 WeakPolarHBondContact O-CB 3.31Å; A405-E409 PolarHBondContact O-N 3.48Å; A405-P464 HydrophobicContact CB-CB 4.47Å; A405-F467 HydrophobicContact CB-CB 3.8Å; A405-L468 HydrophobicContact CB-CD1 4.37Å; A405-L468 HydrophobicContact CB-CD2 3.82Å; A405-L468 HydrophobicContact CB-CG 3.92Å; A405-L474 HydrophobicContact CB-CD1 4Å
406	T	98.8	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-47.4	177.2	-61.3	0	0	0	0	111.6	M368 V374 V378 Y402 T403 E404 M408 E409 V410 F462 P464 F504	M368-T406 HydrophobicContact CE-CG2 3.5Å; M368-T406 VanDerWaalsContact CE-CG2 3.5Å; M368-T406 HydrophobicContact SD-CG2 4.12Å; V374-T406 HydrophobicContact CG1-CG2 3.83Å; V378-T406 HydrophobicContact CG2-CG2 4.06Å; Y402-T406 WeakPolarHBondContact O-CB 3.48Å; Y402-T406 PolarHBondContact O-N 3.45Å; Y402-T406 PolarHBondContact O-OG1 3.19Å; T403-T406 WeakPolarHBondContact O-CB 3.1Å; T403-T406 PolarHBondContact O-N 3.05Å; E404-T406 VanDerWaalsContact C-N 3.27Å; E404-T406 PolarHBondContact O-N 2.89Å; T406-M408 VanDerWaalsContact C-N 3.33Å; T406-M408 PolarHBondContact O-N 2.87Å; T406-E409 PolarHBondContact O-N 2.95Å; T406-V410 WeakPolarHBondContact O-CG2 3.27Å; T406-V410 PolarHBondContact O-N 2.84Å; T406-V410 VanDerWaalsContact O-N 3.08Å; T406-F462 HydrophobicContact CG2-CZ 4.05Å; T406-P464 HydrophobicContact CG2-CG 4.46Å; T406-F504 HydrophobicContact CG2-CZ 4.19Å
407	I	98.7	Very high	97.6	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-44.6	176	-64.7	167.9	0	0	0	110.4	T403 E404 E409 V410 Q411 L500 F501 F504	T403-I407 HydrophobicContact CG2-CD1 4.39Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 2.77Å; E404-I407 PolarHBondContact O-N 3.07Å; I407-E409 VanDerWaalsContact C-N 3.3Å; I407-E409 PolarHBondContact O-N 3.43Å; I407-V410 PolarHBondContact O-N 3.48Å; I407-Q411 WeakPolarHBondContact O-CG 3.48Å; I407-Q411 PolarHBondContact O-N 3.29Å; I407-L500 HydrophobicContact CG2-CB 4.33Å; I407-F501 HydrophobicContact CD1-CB 4.49Å; I407-F501 HydrophobicContact CD1-CD2 4.2Å; I407-F504 HydrophobicContact CD1-CB 4.21Å; I407-F504 HydrophobicContact CD1-CD1 3.73Å; I407-F504 HydrophobicContact CD1-CE1 4.41Å; I407-F504 HydrophobicContact CD1-CG 4.17Å; I407-F504 HydrophobicContact CG1-CD1 3.73Å; I407-F504 HydrophobicContact CG1-CE1 4.03Å; I407-F504 HydrophobicContact CG1-CG 4.09Å
408	M	98.6	Very high	97.6	Very high	16 Å²	16	18.2 Å²	18.2	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-38.1	178.3	-72.5	176.3	66.1	0	0	112	E404 A405 T406 Q411 R412 F467 L474 F480	E404-M408 HydrophobicContact CG-CG 4.36Å; E404-M408 HydrophobicContact CG-SD 3.94Å; E404-M408 WeakPolarHBondContact O-CB 3.26Å; E404-M408 VanDerWaalsContact O-CG 3.28Å; E404-M408 WeakPolarHBondContact O-CG 3.33Å; E404-M408 PolarHBondContact O-N 2.98Å; A405-M408 PolarHBondContact O-N 2.98Å; T406-M408 VanDerWaalsContact C-N 3.33Å; T406-M408 PolarHBondContact O-N 2.87Å; M408-Q411 PolarHBondContact O-N 3.1Å; M408-R412 WeakPolarHBondContact O-CB 3.36Å; M408-R412 PolarHBondContact O-N 3.02Å; M408-F467 HydrophobicContact CB-CD1 4.42Å; M408-F467 HydrophobicContact CB-CD2 3.98Å; M408-F467 HydrophobicContact CB-CE1 4.39Å; M408-F467 HydrophobicContact CB-CE2 3.96Å; M408-F467 HydrophobicContact CB-CG 4.22Å; M408-F467 HydrophobicContact CB-CZ 4.15Å; M408-F467 HydrophobicContact CE-CD1 3.48Å; M408-F467 VanDerWaalsContact CE-CD1 3.48Å; M408-F467 HydrophobicContact CE-CE1 3.63Å; M408-F467 HydrophobicContact CE-CG 4.18Å; M408-F467 HydrophobicContact CE-CZ 4.44Å; M408-F467 HydrophobicContact SD-CD1 4.46Å; M408-L474 HydrophobicContact SD-CD1 3.9Å; M408-L474 HydrophobicContact SD-CD2 3.97Å; M408-L474 HydrophobicContact SD-CG 4.28Å; M408-F480 HydrophobicContact CB-CE1 4.22Å; M408-F480 HydrophobicContact CB-CE2 4.39Å; M408-F480 HydrophobicContact CB-CZ 3.83Å; M408-F480 HydrophobicContact CE-CD1 3.65Å; M408-F480 HydrophobicContact CE-CE1 3.71Å; M408-F480 HydrophobicContact CE-CG 4.21Å; M408-F480 HydrophobicContact CE-CZ 4.34Å; M408-F480 HydrophobicContact CG-CE1 3.92Å; M408-F480 HydrophobicContact CG-CZ 4Å; M408-F480 VanDerWaalsContact O-CE2 3.26Å; M408-F480 WeakPolarHBondContact O-CE2 3.46Å; M408-F480 WeakPolarHBondContact O-CZ 3.44Å
409	E	98.6	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.1	-38.6	177.7	-179.2	64.4	167	0	0	112.9	A405 T406 I407 Q411 R412 L413 F462 Y463 R466 F467	A405-E409 WeakPolarHBondContact O-CB 3.31Å; A405-E409 PolarHBondContact O-N 3.48Å; T406-E409 PolarHBondContact O-N 2.95Å; I407-E409 VanDerWaalsContact C-N 3.3Å; I407-E409 PolarHBondContact O-N 3.43Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.82Å; E409-R412 PolarHBondContact O-N 3Å; E409-R412 IonicContact OE1-CZ 2.65Å; E409-R412 IonicContact OE1-NE 3.78Å; E409-R412 IonicContact OE1-NH2 3.63Å; E409-R412 PolarHBondContact OE1-NH2 2.73Å; E409-R412 IonicContact OE2-CZ 2.82Å; E409-R412 IonicContact OE2-NE 2.9Å; E409-R412 PolarHBondContact OE2-NE 3.42Å; E409-R412 IonicContact OE2-NH2 3.58Å; E409-L413 PolarHBondContact O-N 3.4Å; E409-F462 HydrophobicContact CB-CD2 4.33Å; E409-F462 HydrophobicContact CB-CE2 3.99Å; E409-F462 HydrophobicContact CG-CD2 3.45Å; E409-F462 VanDerWaalsContact CG-CD2 3.45Å; E409-F462 HydrophobicContact CG-CE2 3.61Å; E409-F462 HydrophobicContact CG-CG 4.4Å; E409-Y463 PolarHBondContact OE1-N 3.22Å; E409-R466 IonicContact OE1-CZ 3.87Å; E409-R466 IonicContact OE1-NE 2.76Å; E409-R466 PolarHBondContact OE1-NE 2.7Å; E409-R466 IonicContact OE1-NH2 3.21Å; E409-R466 PolarHBondContact OE1-NH2 3.05Å; E409-R466 WeakPolarHBondContact OE2-CD 3.44Å; E409-R466 IonicContact OE2-NE 3.68Å; E409-R466 PolarHBondContact OE2-NE 2.88Å; E409-R466 VanDerWaalsContact OE2-NE 3.07Å; E409-F467 HydrophobicContact CB-CD2 4.23Å; E409-F467 HydrophobicContact CB-CE2 4.02Å; E409-F467 WeakPolarHBondContact OE2-CE2 3.38Å
410	V	98.5	Very high	97.7	Very high	2 Å²	2	10 Å²	10	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-60.4	-45.9	170.5	176.9	0	0	0	0	110.2	W363 Y367 T406 I407 R412 L413 T414 F462	W363-V410 HydrophobicContact CB-CG1 3.7Å; Y367-V410 HydrophobicContact CD2-CG1 4.13Å; Y367-V410 HydrophobicContact CD2-CG2 4.22Å; Y367-V410 HydrophobicContact CG-CG2 4.22Å; T406-V410 WeakPolarHBondContact O-CG2 3.27Å; T406-V410 PolarHBondContact O-N 2.84Å; T406-V410 VanDerWaalsContact O-N 3.08Å; I407-V410 PolarHBondContact O-N 3.48Å; V410-R412 VanDerWaalsContact C-N 3.34Å; V410-R412 PolarHBondContact O-N 3.37Å; V410-L413 PolarHBondContact O-N 2.89Å; V410-T414 HydrophobicContact CG1-CG2 4.28Å; V410-T414 WeakPolarHBondContact O-CB 3.32Å; V410-T414 WeakPolarHBondContact O-CG2 3.34Å; V410-T414 PolarHBondContact O-N 2.81Å; V410-T414 PolarHBondContact O-OG1 3.03Å; V410-F462 HydrophobicContact CG2-CE2 3.67Å; V410-F462 HydrophobicContact CG2-CZ 4.09Å
411	Q	98.3	Very high	97.6	Very high	15 Å²	15	11.5 Å²	11.5	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-62.3	-38.9	177.8	-73.4	-173.8	-44.7	0	0	112.6	I407 M408 E409 V415 F480 P482	I407-Q411 WeakPolarHBondContact O-CG 3.48Å; I407-Q411 PolarHBondContact O-N 3.29Å; M408-Q411 PolarHBondContact O-N 3.1Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.82Å; Q411-V415 VanDerWaalsContact O-CA 3.29Å; Q411-V415 WeakPolarHBondContact O-CA 3.38Å; Q411-V415 PolarHBondContact O-N 3.15Å; Q411-F480 HydrophobicContact CB-CE2 4.25Å; Q411-F480 HydrophobicContact CB-CZ 3.86Å; Q411-P482 HydrophobicContact CB-CB 4.3Å; Q411-P482 HydrophobicContact CB-CG 4.48Å
412	R	98.1	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-45.9	177.1	-171.6	-163.6	65.2	82.1	-3.8	111.5	M408 E409 V410 V415 H450 W456 P459 D461 F467 F480	M408-R412 WeakPolarHBondContact O-CB 3.36Å; M408-R412 PolarHBondContact O-N 3.02Å; E409-R412 PolarHBondContact O-N 3Å; E409-R412 IonicContact OE1-CZ 2.65Å; E409-R412 IonicContact OE1-NE 3.78Å; E409-R412 IonicContact OE1-NH2 3.63Å; E409-R412 PolarHBondContact OE1-NH2 2.73Å; E409-R412 IonicContact OE2-CZ 2.82Å; E409-R412 IonicContact OE2-NE 2.9Å; E409-R412 PolarHBondContact OE2-NE 3.42Å; E409-R412 IonicContact OE2-NH2 3.58Å; V410-R412 VanDerWaalsContact C-N 3.34Å; V410-R412 PolarHBondContact O-N 3.37Å; R412-V415 WeakPolarHBondContact O-CG2 3.32Å; R412-H450 HydrophobicContact CG-CB 3.81Å; R412-H450 PolarHBondContact NH1-O 2.8Å; R412-H450 WeakPolarHBondContact O-CB 3.43Å; R412-W456 VanDerWaalsContact CD-CZ3 3.41Å; R412-W456 HydrophobicContact CG-CD2 4.49Å; R412-W456 HydrophobicContact CG-CE3 4.48Å; R412-W456 HydrophobicContact CG-CH2 4.23Å; R412-W456 HydrophobicContact CG-CZ2 4.26Å; R412-W456 HydrophobicContact CG-CZ3 4.34Å; R412-P459 PolarHBondContact NH1-O 2.58Å; R412-P459 PolarHBondContact NH2-O 3.36Å; R412-D461 PolarHBondContact NH2-O 3.38Å; R412-F467 HydrophobicContact CB-CZ 4.28Å; R412-F480 HydrophobicContact CB-CD2 4.3Å; R412-F480 HydrophobicContact CB-CE2 3.9Å
413	L	96.9	Very high	97.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-71.7	-37.7	-179.2	-79.3	179.3	0	0	0	111.8	Y367 E409 V410 R451 F462	Y367-L413 HydrophobicContact CE1-CD1 3.78Å; E409-L413 PolarHBondContact O-N 3.4Å; V410-L413 PolarHBondContact O-N 2.89Å; L413-R451 PolarHBondContact O-NH1 2.68Å; L413-R451 PolarHBondContact O-NH2 3.07Å; L413-F462 HydrophobicContact CD1-CB 3.84Å; L413-F462 HydrophobicContact CD1-CD2 3.84Å; L413-F462 HydrophobicContact CD1-CG 4.35Å
414	T	94.9	Very high	97.4	Very high	3 Å²	3	12 Å²	12	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-94.8	-29.6	-169.9	62	0	0	0	0	112.4	W363 Y367 V410 L532	W363-T414 HydrophobicContact CB-CG2 3.83Å; W363-T414 HydrophobicContact CD2-CG2 3.38Å; W363-T414 HydrophobicContact CE3-CG2 3.72Å; W363-T414 HydrophobicContact CG-CG2 3.43Å; W363-T414 VanDerWaalsContact CG-CG2 3.43Å; W363-T414 HydrophobicContact CZ3-CG2 4.42Å; Y367-T414 HydrophobicContact CD2-CG2 4.44Å; Y367-T414 HydrophobicContact CE2-CG2 3.62Å; V410-T414 HydrophobicContact CG1-CG2 4.28Å; V410-T414 WeakPolarHBondContact O-CB 3.32Å; V410-T414 WeakPolarHBondContact O-CG2 3.34Å; V410-T414 PolarHBondContact O-N 2.81Å; V410-T414 PolarHBondContact O-OG1 3.03Å; T414-L532 WeakPolarHBondContact O-CD2 3.43Å
415	V	95.7	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.			trans	36.2	80.8	-179.3	-166.1	0	0	0	0	110.9	Q411 R412 V417 P418 L446 H450	Q411-V415 VanDerWaalsContact O-CA 3.29Å; Q411-V415 WeakPolarHBondContact O-CA 3.38Å; Q411-V415 PolarHBondContact O-N 3.15Å; R412-V415 WeakPolarHBondContact O-CG2 3.32Å; V415-V417 CarbonylContact O-C 3.57Å; V415-V417 PolarHBondContact O-N 2.65Å; V415-P418 WeakPolarHBondContact O-CD 3.28Å; V415-P418 VanDerWaalsContact O-N 3.11Å; V415-L446 HydrophobicContact CG1-CB 3.71Å; V415-H450 HydrophobicContact CG2-CB 3.8Å; V415-H450 WeakPolarHBondContact CG2-ND1 3.31Å
416	V	97	Very high	97.4	Very high	17 Å²	17	12.4 Å²	12.4	10%	0.103	7%	0.073	C	C	.	.	S	Bend	trans	-52.2	-27.8	-166.5	71	0	0	0	0	114.4	T356 N359 P418 T531 L532	T356-V416 HydrophobicContact CG2-CG1 4.49Å; N359-V416 HydrophobicContact CB-CG2 3.8Å; V416-P418 WeakPolarHBondContact O-CD 3.28Å; V416-T531 CarbonylContact O-C 3.41Å; V416-T531 WeakPolarHBondContact O-CA 3.44Å; V416-T531 WeakPolarHBondContact O-CB 3.35Å; V416-L532 PolarHBondContact O-N 3.19Å
417	V	97.3	Very high	97.3	Very high	25 Å²	25	13.4 Å²	13.4	15%	0.152	8%	0.084	C	C	.	.	S	Bend	trans	-115.8	81.3	168.5	-168.5	0	0	0	0	109.6	T356 V415 L419 A420 I421 T531	T356-V417 HydrophobicContact CG2-CG2 4.39Å; V415-V417 CarbonylContact O-C 3.57Å; V415-V417 PolarHBondContact O-N 2.65Å; V417-L419 VanDerWaalsContact C-N 3.32Å; V417-L419 PolarHBondContact O-N 3.46Å; V417-A420 VanDerWaalsContact CG1-C 3.48Å; V417-A420 PolarHBondContact O-N 3.2Å; V417-A420 VanDerWaalsContact O-N 3.12Å; V417-I421 HydrophobicContact CG1-CD1 4.09Å; V417-T531 HydrophobicContact CG2-CG2 4.36Å
418	P	96.1	Very high	97.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.4	-164.9	25.4	-36.5	0	0	0	114.6	Q104 V415 V416 L446 W447 F528 L532	Q104-P418 HydrophobicContact CB-CB 4Å; Q104-P418 HydrophobicContact CB-CG 4.45Å; Q104-P418 HydrophobicContact CG-CB 3.98Å; Q104-P418 HydrophobicContact CG-CG 4.4Å; V415-P418 WeakPolarHBondContact O-CD 3.28Å; V415-P418 VanDerWaalsContact O-N 3.11Å; V416-P418 WeakPolarHBondContact O-CD 3.28Å; P418-L446 PolarHBondContact O-N 3.03Å; P418-W447 HydrophobicContact CB-CB 3.81Å; P418-W447 PolarHBondContact O-N 3.38Å; P418-F528 HydrophobicContact CG-CD2 4.01Å; P418-F528 HydrophobicContact CG-CE2 3.63Å; P418-L532 HydrophobicContact CG-CB 4.28Å
419	L	96.4	Very high	97.1	Very high	21 Å²	21	19.5 Å²	19.5	11%	0.11	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.9	177.6	-65.4	-173.4	0	0	0	113.5	Q104 L107 V417 P444 N445 F528	Q104-L419 HydrophobicContact CB-CD2 3.88Å; Q104-L419 HydrophobicContact CB-CG 4.11Å; L107-L419 HydrophobicContact CD1-CD1 3.8Å; L107-L419 HydrophobicContact CD1-CD2 3.91Å; V417-L419 VanDerWaalsContact C-N 3.32Å; V417-L419 PolarHBondContact O-N 3.46Å; L419-P444 CarbonylContact C-O 3.56Å; L419-P444 VanDerWaalsContact CA-O 3.26Å; L419-P444 WeakPolarHBondContact CA-O 3.37Å; L419-N445 HydrophobicContact CD2-CB 3.96Å; L419-F528 HydrophobicContact CD1-CE2 4.36Å; L419-F528 HydrophobicContact CD1-CZ 3.81Å; L419-F528 HydrophobicContact CG-CE2 4.38Å; L419-F528 HydrophobicContact CG-CZ 4.26Å
420	A	96.5	Very high	97	Very high	15 Å²	15	23.2 Å²	23.2	12%	0.124	14%	0.14	C	C	.	.			trans	49.1	-172.5	-166.5	0	0	0	0	0	112.2	V417 P444 L446	V417-A420 VanDerWaalsContact CG1-C 3.48Å; V417-A420 PolarHBondContact O-N 3.2Å; V417-A420 VanDerWaalsContact O-N 3.12Å; A420-P444 HydrophobicContact CB-CB 4.03Å; A420-P444 HydrophobicContact CB-CG 4.12Å; A420-P444 PolarHBondContact N-O 3.46Å; A420-L446 HydrophobicContact CB-CD1 4.01Å; A420-L446 HydrophobicContact CB-CG 4.15Å
421	I	96.4	Very high	97	Very high	31 Å²	31	23.1 Å²	23.1	16%	0.159	14%	0.139	C	C	.	.	S	Bend	trans	-86.5	130.1	165.6	-58.1	-56.6	0	0	0	107.5	R150 V166 F167 V417 H423 L530	R150-I421 PolarHBondContact NH1-O 3.02Å; V166-I421 HydrophobicContact CG1-CG1 4.36Å; V166-I421 HydrophobicContact CG1-CG2 4.12Å; F167-I421 HydrophobicContact CD1-CG2 4.36Å; F167-I421 HydrophobicContact CE1-CG2 3.73Å; F167-I421 HydrophobicContact CZ-CG2 3.97Å; V417-I421 HydrophobicContact CG1-CD1 4.09Å; I421-H423 PolarHBondContact O-CD2 2.97Å; I421-H423 PolarHBondContact O-N 2.94Å; I421-L530 HydrophobicContact CD1-CD1 3.86Å; I421-L530 HydrophobicContact CD1-CD2 3.83Å; I421-L530 HydrophobicContact CD1-CG 3.91Å
422	P	95.7	Very high	96.8	Very high	30 Å²	30	25.8 Å²	25.8	20%	0.195	15%	0.152	C	C	.	.			trans	-51.6	138.9	-178.2	-29.5	35.5	0	0	0	113.5	R150 P151 L443	R150-P422 VanDerWaalsContact CD-O 3.28Å; R150-P422 WeakPolarHBondContact CD-O 3.31Å; R150-P422 PolarHBondContact NH1-O 2.87Å; P151-P422 WeakPolarHBondContact CD-O 3.24Å; P151-P422 HydrophobicContact CG-CB 3.81Å; P422-L443 HydrophobicContact CB-CD2 3.71Å; P422-L443 HydrophobicContact CG-CD2 3.63Å
423	H	98.4	Very high	96.7	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	163.8	175.7	-76.1	-106.2	0	0	0	110.2	F147 D149 R150 I421 L441 I442	F147-H423 WeakPolarHBondContact O-CB 3.09Å; F147-H423 PolarHBondContact O-ND1 3.33Å; D149-H423 CarbonylContact O-C 3.55Å; D149-H423 WeakPolarHBondContact O-CA 3.25Å; R150-H423 PolarHBondContact NH1-CD2 3.16Å; R150-H423 VanDerWaalsContact NH1-CD2 3.28Å; R150-H423 PolarHBondContact NH1-NE2 3.23Å; R150-H423 VanDerWaalsContact NH1-NE2 3.2Å; I421-H423 PolarHBondContact O-CD2 2.97Å; I421-H423 PolarHBondContact O-N 2.94Å; H423-L441 CarbonylContact O-C 3.5Å; H423-L441 WeakPolarHBondContact O-CA 3.28Å; H423-I442 HydrophobicContact CB-CB 3.93Å; H423-I442 PolarHBondContact N-O 3.4Å; H423-I442 PolarHBondContact O-N 3.33Å
424	M	97.8	Very high	96.7	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.069	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.9	171.2	-177.2	170.3	-89.2	0	0	110	D149 P151 G439 T440 L441	D149-M424 WeakPolarHBondContact CB-O 3.48Å; D149-M424 PolarHBondContact O-N 3.44Å; P151-M424 HydrophobicContact CB-CE 4.33Å; M424-G439 WeakPolarHBondContact CE-O 3.22Å; M424-T440 VanDerWaalsContact CA-O 3.28Å; M424-T440 WeakPolarHBondContact CA-O 3.42Å; M424-L441 HydrophobicContact CE-CD2 3.51Å; M424-L441 HydrophobicContact CE-CG 4.11Å
425	T	98.3	Very high	96.8	Very high	2 Å²	2	35 Å²	35	1%	0.012	21%	0.214	C	C	.	.			trans	-75.5	126	175.7	52.5	0	0	0	0	111.6	V146 F147 G427 I436 P437 G439 T440 I442	V146-T425 HydrophobicContact CG1-CG2 4.35Å; V146-T425 CarbonylContact O-C 3.28Å; V146-T425 VanDerWaalsContact O-CA 3.29Å; V146-T425 WeakPolarHBondContact O-CA 3.41Å; F147-T425 HydrophobicContact CD1-CG2 3.98Å; F147-T425 HydrophobicContact CE1-CG2 3.79Å; F147-T425 HydrophobicContact CZ-CG2 4.19Å; T425-G427 VanDerWaalsContact C-N 3.33Å; T425-I436 HydrophobicContact CG2-CG2 3.71Å; T425-P437 PolarHBondContact OG1-O 3.27Å; T425-G439 PolarHBondContact O-N 2.85Å; T425-G439 PolarHBondContact OG1-N 2.82Å; T425-T440 PolarHBondContact N-O 3.32Å; T425-T440 PolarHBondContact OG1-N 2.87Å; T425-I442 HydrophobicContact CG2-CD1 4.07Å; T425-I442 HydrophobicContact CG2-CG1 3.96Å
426	S	97.7	Very high	96.8	Very high	43 Å²	43	35 Å²	35	30%	0.301	21%	0.214	S	C	.	.	S	Bend	trans	-79.9	-15.9	178.3	64.6	0	0	0	0	113.4	E145 V146 K438	E145-S426 PolarHBondContact O-OG 3.46Å; V146-S426 WeakPolarHBondContact CA-OG 3.27Å; V146-S426 PolarHBondContact O-N 2.65Å; V146-S426 PolarHBondContact O-OG 2.89Å; S426-K438 VanDerWaalsContact O-CD 3.23Å; S426-K438 WeakPolarHBondContact O-CD 3.18Å; S426-K438 WeakPolarHBondContact O-CE 3.33Å; S426-K438 WeakPolarHBondContact O-CG 3.32Å; S426-K438 PolarHBondContact O-NZ 3.42Å
427	G	96.7	Very high	96.8	Very high	21 Å²	21	36 Å²	36	22%	0.216	22%	0.221	C	C	.	.	S	Bend	trans	-148.7	169.5	179.7	0	0	0	0	0	112.4	T425	T425-G427 VanDerWaalsContact C-N 3.33Å
428	N	96.5	Very high	96.8	Very high	128 Å²	128	41.6 Å²	41.6	68%	0.684	24%	0.243	S	C	*	.			trans	-70.7	137.6	170.5	-65.1	-20.3	0	0	0	108.9	I436 P437 K438	N428-I436 WeakPolarHBondContact CA-O 3.48Å; N428-P437 WeakPolarHBondContact OD1-CA 3.36Å; N428-K438 WeakPolarHBondContact OD1-CB 3.22Å; N428-K438 PolarHBondContact OD1-N 3.16Å
429	T	97.3	Very high	96.8	Very high	28 Å²	28	43 Å²	43	17%	0.172	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	176.4	176.8	-166.4	0	0	0	0	111.9	Q143 V146 F147 I436	Q143-T429 PolarHBondContact OE1-OG1 2.96Å; V146-T429 HydrophobicContact CG1-CG2 3.94Å; F147-T429 HydrophobicContact CE2-CG2 3.59Å; F147-T429 HydrophobicContact CZ-CG2 3.67Å; T429-I436 HydrophobicContact CG2-CB 3.97Å; T429-I436 HydrophobicContact CG2-CG1 4.49Å; T429-I436 PolarHBondContact N-O 3.3Å; T429-I436 PolarHBondContact O-N 2.85Å
430	V	97.4	Very high	96.8	Very high	78 Å²	78	42.1 Å²	42.1	47%	0.473	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133	171.3	178.7	0	0	0	0	108.8	Q143 Y434	Q143-V430 PolarHBondContact NE2-O 3.29Å; V430-Y434 CarbonylContact C-O 3.4Å; V430-Y434 VanDerWaalsContact CA-O 3.22Å; V430-Y434 WeakPolarHBondContact CA-O 3.44Å
431	L	97.6	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.9	176.3	-174.9	72.3	0	0	0	108.3	I117 L130 E138 A139 F147 G433 Y434 I436	I117-L431 HydrophobicContact CD1-CD2 3.91Å; I117-L431 HydrophobicContact CD1-CG 3.96Å; L130-L431 HydrophobicContact CD1-CD2 4.47Å; L130-L431 HydrophobicContact CD2-CD2 3.55Å; E138-L431 HydrophobicContact CB-CD1 4.03Å; E138-L431 HydrophobicContact CG-CD1 3.67Å; A139-L431 HydrophobicContact CB-CD1 4.1Å; A139-L431 HydrophobicContact CB-CD2 4.31Å; F147-L431 HydrophobicContact CE1-CD2 4.42Å; F147-L431 HydrophobicContact CZ-CB 4.41Å; F147-L431 HydrophobicContact CZ-CD1 4.39Å; F147-L431 HydrophobicContact CZ-CD2 4.25Å; L431-G433 PolarHBondContact O-N 3Å; L431-Y434 PolarHBondContact N-O 3.37Å; L431-Y434 WeakPolarHBondContact O-CB 3.31Å; L431-Y434 PolarHBondContact O-N 3.33Å; L431-I436 HydrophobicContact CB-CD1 4.39Å; L431-I436 HydrophobicContact CB-CG1 3.8Å
432	Q	95.3	Very high	96.9	Very high	71 Å²	71	40.7 Å²	40.7	33%	0.332	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	44.2	-176.6	-57.7	-176.1	9.3	0	0	114.3	I117 H134 S135 E138 Y434	I117-Q432 HydrophobicContact CD1-CB 3.85Å; I117-Q432 VanDerWaalsContact CD1-CD 3.48Å; I117-Q432 HydrophobicContact CD1-CG 3.84Å; H134-Q432 PolarHBondContact ND1-NE2 3.32Å; S135-Q432 VanDerWaalsContact CA-NE2 3.29Å; E138-Q432 PolarHBondContact OE1-N 3.12Å; E138-Q432 WeakPolarHBondContact OE2-CG 3.47Å; E138-Q432 PolarHBondContact OE2-NE2 2.92Å; Q432-Y434 VanDerWaalsContact C-N 3.26Å; Q432-Y434 PolarHBondContact O-N 3.49Å
433	G	94.5	Very high	97	Very high	66 Å²	66	40.3 Å²	40.3	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-7.9	180	0	0	0	0	0	115.3	L431	L431-G433 PolarHBondContact O-N 3Å
434	Y	97.5	Very high	97	Very high	76 Å²	76	39.9 Å²	39.9	30%	0.298	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.2	172.9	-62.9	-63.9	0	0	0	112.1	G58 P60 P61 I117 V430 L431 Q432	G58-Y434 CarbonylContact O-C 3.33Å; G58-Y434 WeakPolarHBondContact O-CA 3.27Å; P60-Y434 HydrophobicContact CB-CD1 4.35Å; P60-Y434 HydrophobicContact CB-CD2 4.28Å; P60-Y434 HydrophobicContact CB-CG 4.15Å; P60-Y434 HydrophobicContact CG-CD1 4.36Å; P60-Y434 HydrophobicContact CG-CD2 4.13Å; P60-Y434 HydrophobicContact CG-CG 3.83Å; P61-Y434 WeakPolarHBondContact CD-OH 3.46Å; I117-Y434 HydrophobicContact CB-CD2 4.27Å; I117-Y434 HydrophobicContact CB-CE2 4.25Å; I117-Y434 HydrophobicContact CG2-CD2 4.16Å; V430-Y434 CarbonylContact C-O 3.4Å; V430-Y434 VanDerWaalsContact CA-O 3.22Å; V430-Y434 WeakPolarHBondContact CA-O 3.44Å; L431-Y434 PolarHBondContact N-O 3.37Å; L431-Y434 WeakPolarHBondContact O-CB 3.31Å; L431-Y434 PolarHBondContact O-N 3.33Å; Q432-Y434 VanDerWaalsContact C-N 3.26Å; Q432-Y434 PolarHBondContact O-N 3.49Å
435	T	96.3	Very high	97	Very high	59 Å²	59	39.2 Å²	39.2	36%	0.362	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.3	170.3	-60.7	0	0	0	0	109.7	G58	G58-T435 PolarHBondContact O-N 3.34Å
436	I	97.4	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	102.2	176.6	-47.1	-60.3	0	0	0	108.3	P60 V128 T425 N428 T429 L431 T440 I442	P60-I436 HydrophobicContact CG-CD1 3.71Å; V128-I436 HydrophobicContact CG1-CD1 4.38Å; V128-I436 HydrophobicContact CG2-CD1 4.21Å; T425-I436 HydrophobicContact CG2-CG2 3.71Å; N428-I436 WeakPolarHBondContact CA-O 3.48Å; T429-I436 HydrophobicContact CG2-CB 3.97Å; T429-I436 HydrophobicContact CG2-CG1 4.49Å; T429-I436 PolarHBondContact N-O 3.3Å; T429-I436 PolarHBondContact O-N 2.85Å; L431-I436 HydrophobicContact CB-CD1 4.39Å; L431-I436 HydrophobicContact CB-CG1 3.8Å; I436-T440 HydrophobicContact CG2-CG2 3.97Å; I436-I442 HydrophobicContact CG2-CD1 4.05Å
437	P	96.1	Very high	97	Very high	38 Å²	38	38.7 Å²	38.7	25%	0.247	23%	0.226	C	C	.	.			trans	-62.9	156.5	178.7	-22.5	33.7	0	0	0	112.6	I59 L126 T425 N428 T440	I59-P437 HydrophobicContact CG2-CG 4.41Å; L126-P437 HydrophobicContact CD2-CG 4.4Å; T425-P437 PolarHBondContact OG1-O 3.27Å; N428-P437 WeakPolarHBondContact OD1-CA 3.36Å; P437-T440 VanDerWaalsContact O-CB 3.29Å; P437-T440 WeakPolarHBondContact O-CB 3.24Å; P437-T440 PolarHBondContact O-N 3.15Å; P437-T440 PolarHBondContact O-OG1 3.38Å
438	K	96.5	Very high	97	Very high	142 Å²	142	38.7 Å²	38.7	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	142	167.4	177.9	173	178.9	165.2	0	110.8	S426 N428 T440	S426-K438 VanDerWaalsContact O-CD 3.23Å; S426-K438 WeakPolarHBondContact O-CD 3.18Å; S426-K438 WeakPolarHBondContact O-CE 3.33Å; S426-K438 WeakPolarHBondContact O-CG 3.32Å; S426-K438 PolarHBondContact O-NZ 3.42Å; N428-K438 WeakPolarHBondContact OD1-CB 3.22Å; N428-K438 PolarHBondContact OD1-N 3.16Å; K438-T440 VanDerWaalsContact C-N 3.28Å
439	G	95.8	Very high	97.1	Very high	29 Å²	29	32.6 Å²	32.6	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	14.9	179.7	0	0	0	0	0	113.5	M424 T425	M424-G439 WeakPolarHBondContact CE-O 3.22Å; T425-G439 PolarHBondContact O-N 2.85Å; T425-G439 PolarHBondContact OG1-N 2.82Å
440	T	97.2	Very high	97.1	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	18%	0.182	C	C	.	.			trans	-78.7	131.1	174.1	-61.4	0	0	0	0	109.3	L126 V128 M424 T425 I436 P437 K438 I442	L126-T440 HydrophobicContact CB-CG2 4.28Å; L126-T440 HydrophobicContact CD2-CG2 3.92Å; L126-T440 HydrophobicContact CG-CG2 3.84Å; V128-T440 HydrophobicContact CB-CG2 4.19Å; V128-T440 HydrophobicContact CG2-CG2 3.61Å; M424-T440 VanDerWaalsContact CA-O 3.28Å; M424-T440 WeakPolarHBondContact CA-O 3.42Å; T425-T440 PolarHBondContact N-O 3.32Å; T425-T440 PolarHBondContact OG1-N 2.87Å; I436-T440 HydrophobicContact CG2-CG2 3.97Å; P437-T440 VanDerWaalsContact O-CB 3.29Å; P437-T440 WeakPolarHBondContact O-CB 3.24Å; P437-T440 PolarHBondContact O-N 3.15Å; P437-T440 PolarHBondContact O-OG1 3.38Å; K438-T440 VanDerWaalsContact C-N 3.28Å; T440-I442 HydrophobicContact CG2-CD1 3.87Å
441	L	97.3	Very high	97	Very high	16 Å²	16	28.9 Å²	28.9	8%	0.084	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.1	172.8	-65	173	0	0	0	109.3	Y125 L126 V127 V128 P151 V153 H423 M424	Y125-L441 HydrophobicContact CG-CD1 4.24Å; L126-L441 PolarHBondContact O-N 3Å; V127-L441 CarbonylContact C-O 3.43Å; V127-L441 WeakPolarHBondContact CA-O 3.47Å; V127-L441 HydrophobicContact CB-CB 4.39Å; V127-L441 HydrophobicContact CG1-CB 4.39Å; V127-L441 HydrophobicContact CG2-CB 4Å; V127-L441 HydrophobicContact CG2-CD1 3.82Å; V127-L441 HydrophobicContact CG2-CG 4.5Å; V128-L441 PolarHBondContact N-O 2.94Å; P151-L441 HydrophobicContact CB-CD2 3.42Å; P151-L441 VanDerWaalsContact CB-CD2 3.42Å; P151-L441 HydrophobicContact CG-CD2 3.41Å; P151-L441 VanDerWaalsContact CG-CD2 3.41Å; V153-L441 HydrophobicContact CG1-CD1 4.33Å; V153-L441 HydrophobicContact CG1-CD2 4.24Å; H423-L441 CarbonylContact O-C 3.5Å; H423-L441 WeakPolarHBondContact O-CA 3.28Å; M424-L441 HydrophobicContact CE-CD2 3.51Å; M424-L441 HydrophobicContact CE-CG 4.11Å
442	I	98.3	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	-179.6	-51.9	-62.2	0	0	0	108.4	V128 L130 F147 H423 T425 I436 T440 P444	V128-I442 HydrophobicContact CB-CD1 3.85Å; V128-I442 HydrophobicContact CG1-CD1 4.39Å; V128-I442 CarbonylContact O-C 3.54Å; V128-I442 WeakPolarHBondContact O-CA 3.49Å; L130-I442 HydrophobicContact CD1-CG2 3.67Å; L130-I442 HydrophobicContact CG-CG2 4Å; F147-I442 HydrophobicContact CD1-CB 4.44Å; F147-I442 HydrophobicContact CD1-CD1 4.29Å; F147-I442 HydrophobicContact CD1-CG1 3.77Å; F147-I442 HydrophobicContact CD1-CG2 4.19Å; F147-I442 HydrophobicContact CE1-CD1 3.85Å; F147-I442 HydrophobicContact CE1-CG1 3.87Å; F147-I442 HydrophobicContact CE1-CG2 4.42Å; H423-I442 HydrophobicContact CB-CB 3.93Å; H423-I442 PolarHBondContact N-O 3.4Å; H423-I442 PolarHBondContact O-N 3.33Å; T425-I442 HydrophobicContact CG2-CD1 4.07Å; T425-I442 HydrophobicContact CG2-CG1 3.96Å; I436-I442 HydrophobicContact CG2-CD1 4.05Å; T440-I442 HydrophobicContact CG2-CD1 3.87Å; I442-P444 WeakPolarHBondContact O-CD 3.4Å
443	L	97.6	Very high	97	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.12	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	96.3	178.8	-65.2	-175.7	0	0	0	110.4	F120 V127 V128 V129 L130 P422 N445	F120-L443 HydrophobicContact CZ-CD1 4.25Å; V127-L443 HydrophobicContact CG1-CB 4.49Å; V127-L443 HydrophobicContact CG1-CD1 3.52Å; V127-L443 HydrophobicContact CG1-CG 3.73Å; V128-L443 PolarHBondContact O-N 2.83Å; V129-L443 WeakPolarHBondContact CA-O 3.43Å; V129-L443 HydrophobicContact CG2-CB 4.36Å; L130-L443 PolarHBondContact N-O 3.13Å; P422-L443 HydrophobicContact CB-CD2 3.71Å; P422-L443 HydrophobicContact CG-CD2 3.63Å; L443-N445 PolarHBondContact O-N 2.87Å
444	P	98.3	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	115.8	168.5	-18.3	32.1	0	0	0	110.8	V136 L140 L419 A420 I442 L446	V136-P444 HydrophobicContact CG1-CB 4.38Å; V136-P444 HydrophobicContact CG2-CB 4.15Å; L140-P444 HydrophobicContact CD1-CB 4.47Å; L140-P444 HydrophobicContact CD1-CG 3.95Å; L419-P444 CarbonylContact C-O 3.56Å; L419-P444 VanDerWaalsContact CA-O 3.26Å; L419-P444 WeakPolarHBondContact CA-O 3.37Å; A420-P444 HydrophobicContact CB-CB 4.03Å; A420-P444 HydrophobicContact CB-CG 4.12Å; A420-P444 PolarHBondContact N-O 3.46Å; I442-P444 WeakPolarHBondContact O-CD 3.4Å; P444-L446 HydrophobicContact CB-CD2 4.24Å; P444-L446 PolarHBondContact O-N 3.2Å; P444-L446 VanDerWaalsContact O-N 3.17Å
445	N	97.9	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.			trans	-87.4	80.7	175.5	-170.6	-8.8	0	0	0	110	Q104 A108 V129 L130 L419 L443 W447 S448 V449	Q104-N445 PolarHBondContact O-ND2 3.16Å; Q104-N445 VanDerWaalsContact O-ND2 3.08Å; A108-N445 PolarHBondContact N-ND2 3.11Å; V129-N445 HydrophobicContact CG1-CB 4.12Å; L130-N445 PolarHBondContact O-N 2.96Å; L419-N445 HydrophobicContact CD2-CB 3.96Å; L443-N445 PolarHBondContact O-N 2.87Å; N445-W447 PolarHBondContact O-N 3.39Å; N445-W447 WeakPolarHBondContact OD1-CB 3.32Å; N445-W447 PolarHBondContact OD1-N 3Å; N445-S448 WeakPolarHBondContact O-CB 3.35Å; N445-S448 PolarHBondContact O-N 2.93Å; N445-S448 VanDerWaalsContact O-N 3.09Å; N445-S448 PolarHBondContact OD1-N 3.33Å; N445-S448 VanDerWaalsContact OD1-N 3.15Å; N445-V449 PolarHBondContact O-N 3.18Å
446	L	98.3	Very high	96.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-34.1	178.9	-57.1	-173.2	0	0	0	111.8	V415 P418 A420 P444 S448 V449 H450 I481	V415-L446 HydrophobicContact CG1-CB 3.71Å; P418-L446 PolarHBondContact O-N 3.03Å; A420-L446 HydrophobicContact CB-CD1 4.01Å; A420-L446 HydrophobicContact CB-CG 4.15Å; P444-L446 HydrophobicContact CB-CD2 4.24Å; P444-L446 PolarHBondContact O-N 3.2Å; P444-L446 VanDerWaalsContact O-N 3.17Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 2.58Å; L446-V449 PolarHBondContact O-N 2.94Å; L446-V449 VanDerWaalsContact O-N 3.16Å; L446-H450 WeakPolarHBondContact O-CB 3.44Å; L446-H450 PolarHBondContact O-N 2.87Å; L446-H450 PolarHBondContact O-ND1 3.42Å; L446-H450 VanDerWaalsContact O-ND1 3.08Å; L446-I481 HydrophobicContact CD2-CD1 3.64Å; L446-I481 HydrophobicContact CD2-CG1 4.13Å
447	W	96.9	Very high	96.6	Very high	30 Å²	30	34.6 Å²	34.6	11%	0.114	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-41.1	173.6	-178.4	95.3	0	0	0	112.3	Q104 V105 A108 P418 N445 R451	Q104-W447 HydrophobicContact CB-CB 4.09Å; Q104-W447 HydrophobicContact CB-CG 4.22Å; Q104-W447 HydrophobicContact CG-CB 4.03Å; Q104-W447 HydrophobicContact CG-CD2 4.05Å; Q104-W447 HydrophobicContact CG-CG 3.68Å; V105-W447 HydrophobicContact CB-CH2 4.39Å; V105-W447 HydrophobicContact CG1-CH2 4.18Å; V105-W447 HydrophobicContact CG2-CH2 4.01Å; V105-W447 HydrophobicContact CG2-CZ2 3.69Å; A108-W447 HydrophobicContact CB-CE3 3.81Å; A108-W447 HydrophobicContact CB-CZ3 3.45Å; A108-W447 VanDerWaalsContact CB-CZ3 3.45Å; P418-W447 HydrophobicContact CB-CB 3.81Å; P418-W447 PolarHBondContact O-N 3.38Å; N445-W447 PolarHBondContact O-N 3.39Å; N445-W447 WeakPolarHBondContact OD1-CB 3.32Å; N445-W447 PolarHBondContact OD1-N 3Å; W447-R451 VanDerWaalsContact CD1-NH1 3.3Å; W447-R451 VanDerWaalsContact NE1-CZ 3.3Å; W447-R451 VanDerWaalsContact NE1-NH1 3.14Å; W447-R451 WeakPolarHBondContact O-CB 3.32Å; W447-R451 PolarHBondContact O-N 2.82Å
448	S	96.9	Very high	96.5	Very high	21 Å²	21	37.8 Å²	37.8	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-45.1	175.6	-174.2	0	0	0	0	111.5	S131 N445 L446 H450 R451 D452	S131-S448 WeakPolarHBondContact O-CB 3.35Å; S131-S448 PolarHBondContact O-OG 2.92Å; N445-S448 WeakPolarHBondContact O-CB 3.35Å; N445-S448 PolarHBondContact O-N 2.93Å; N445-S448 VanDerWaalsContact O-N 3.09Å; N445-S448 PolarHBondContact OD1-N 3.33Å; N445-S448 VanDerWaalsContact OD1-N 3.15Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 2.58Å; S448-H450 VanDerWaalsContact C-N 3.31Å; S448-H450 PolarHBondContact O-N 2.89Å; S448-R451 CarbonylContact O-C 3.46Å; S448-R451 PolarHBondContact O-N 2.99Å; S448-D452 PolarHBondContact O-N 2.97Å
449	V	98.1	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-43	178.1	174.6	0	0	0	0	111.9	F133 V136 N445 L446 R451 W456 I481	F133-V449 HydrophobicContact CB-CG1 3.94Å; F133-V449 HydrophobicContact CD2-CG1 4.14Å; V136-V449 HydrophobicContact CG2-CG2 4.19Å; N445-V449 PolarHBondContact O-N 3.18Å; L446-V449 PolarHBondContact O-N 2.94Å; L446-V449 VanDerWaalsContact O-N 3.16Å; V449-R451 PolarHBondContact O-N 3.28Å; V449-W456 PolarHBondContact O-NE1 3.06Å; V449-I481 HydrophobicContact CG1-CD1 4.13Å; V449-I481 HydrophobicContact CG1-CG1 4.28Å
450	H	98	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.6	179.8	-72.1	123.5	0	0	0	113.9	R412 V415 L446 S448 F480 I481	R412-H450 HydrophobicContact CG-CB 3.81Å; R412-H450 PolarHBondContact NH1-O 2.8Å; R412-H450 WeakPolarHBondContact O-CB 3.43Å; V415-H450 HydrophobicContact CG2-CB 3.8Å; V415-H450 WeakPolarHBondContact CG2-ND1 3.31Å; L446-H450 WeakPolarHBondContact O-CB 3.44Å; L446-H450 PolarHBondContact O-N 2.87Å; L446-H450 PolarHBondContact O-ND1 3.42Å; L446-H450 VanDerWaalsContact O-ND1 3.08Å; S448-H450 VanDerWaalsContact C-N 3.31Å; S448-H450 PolarHBondContact O-N 2.89Å; H450-F480 AromaticContact NE2-CD2 3.99Å; H450-I481 VanDerWaalsContact CE1-C 3.46Å; H450-I481 PolarHBondContact NE2-N 2.89Å
451	R	96.2	Very high	96.3	Very high	29 Å²	29	39.9 Å²	39.9	11%	0.109	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	11.5	177.6	-75.9	176	166.1	73.3	1	113.9	L413 W447 S448 V449 P453 P459 E460	L413-R451 PolarHBondContact O-NH1 2.68Å; L413-R451 PolarHBondContact O-NH2 3.07Å; W447-R451 VanDerWaalsContact CD1-NH1 3.3Å; W447-R451 VanDerWaalsContact NE1-CZ 3.3Å; W447-R451 VanDerWaalsContact NE1-NH1 3.14Å; W447-R451 WeakPolarHBondContact O-CB 3.32Å; W447-R451 PolarHBondContact O-N 2.82Å; S448-R451 CarbonylContact O-C 3.46Å; S448-R451 PolarHBondContact O-N 2.99Å; V449-R451 PolarHBondContact O-N 3.28Å; R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.33Å; R451-P453 VanDerWaalsContact O-N 3.17Å; R451-P459 HydrophobicContact CB-CB 4.36Å; R451-P459 VanDerWaalsContact O-CB 3.31Å; R451-P459 WeakPolarHBondContact O-CB 3.13Å; R451-E460 WeakPolarHBondContact CD-OE1 3.43Å; R451-E460 IonicContact CZ-OE2 3.93Å; R451-E460 IonicContact NE-OE1 3.31Å; R451-E460 IonicContact NE-OE2 3.94Å; R451-E460 PolarHBondContact NE-OE2 2.99Å
452	D	96.2	Very high	96.3	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.193	22%	0.22	C	C	.	.			trans	-64.4	115.4	178.4	-172.7	-15.5	0	0	0	109.9	S448 A454 I455 W456	S448-D452 PolarHBondContact O-N 2.97Å; D452-A454 PolarHBondContact O-N 3.27Å; D452-A454 VanDerWaalsContact OD1-CB 3.3Å; D452-A454 WeakPolarHBondContact OD1-CB 3.28Å; D452-A454 PolarHBondContact OD1-N 3.49Å; D452-I455 HydrophobicContact CB-CB 4.25Å; D452-I455 HydrophobicContact CB-CD1 4Å; D452-I455 HydrophobicContact CB-CG1 4.14Å; D452-I455 PolarHBondContact O-N 3.29Å; D452-W456 PolarHBondContact O-N 2.92Å
453	P	94.9	Very high	96.2	Very high	98 Å²	98	44.6 Å²	44.6	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.8	179.9	28.5	-35.8	0	0	0	113.1	R451 I455 P459	R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.33Å; R451-P453 VanDerWaalsContact O-N 3.17Å; P453-I455 VanDerWaalsContact C-N 3.29Å; P453-P459 HydrophobicContact CB-CG 4.25Å
454	A	93.8	Very high	96.2	Very high	91 Å²	91	43.7 Å²	43.7	75%	0.752	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.6	172.6	0	0	0	0	0	112.8	D452	D452-A454 PolarHBondContact O-N 3.27Å; D452-A454 VanDerWaalsContact OD1-CB 3.3Å; D452-A454 WeakPolarHBondContact OD1-CB 3.28Å; D452-A454 PolarHBondContact OD1-N 3.49Å
455	I	94.5	Very high	96.1	Very high	51 Å²	51	46.5 Å²	46.5	26%	0.262	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-37.5	-176.5	-59.5	174.6	0	0	0	111.3	F133 D452 P453 T479	F133-I455 HydrophobicContact CB-CD1 3.91Å; D452-I455 HydrophobicContact CB-CB 4.25Å; D452-I455 HydrophobicContact CB-CD1 4Å; D452-I455 HydrophobicContact CB-CG1 4.14Å; D452-I455 PolarHBondContact O-N 3.29Å; P453-I455 VanDerWaalsContact C-N 3.29Å; I455-T479 HydrophobicContact CD1-CG2 4.01Å; I455-T479 HydrophobicContact CG2-CG2 3.77Å; I455-T479 WeakPolarHBondContact CG2-OG1 3.14Å
456	W	95.7	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-118.2	114.3	-170.5	-56.4	98.5	0	0	0	110.7	R412 V449 D452 P459 F467 K477 F480	R412-W456 VanDerWaalsContact CD-CZ3 3.41Å; R412-W456 HydrophobicContact CG-CD2 4.49Å; R412-W456 HydrophobicContact CG-CE3 4.48Å; R412-W456 HydrophobicContact CG-CH2 4.23Å; R412-W456 HydrophobicContact CG-CZ2 4.26Å; R412-W456 HydrophobicContact CG-CZ3 4.34Å; V449-W456 PolarHBondContact O-NE1 3.06Å; D452-W456 PolarHBondContact O-N 2.92Å; W456-P459 HydrophobicContact CB-CB 4.14Å; W456-P459 WeakPolarHBondContact O-CD 3.39Å; W456-F467 AromaticContact CH2-CE1 3.78Å; W456-F467 HydrophobicContact CH2-CE1 3.78Å; W456-F467 AromaticContact CH2-CZ 3.74Å; W456-F467 HydrophobicContact CH2-CZ 3.74Å; W456-F467 AromaticContact CZ3-CE1 3.66Å; W456-F467 HydrophobicContact CZ3-CE1 3.66Å; W456-F467 HydrophobicContact CZ3-CE2 4.37Å; W456-F467 AromaticContact CZ3-CZ 3.5Å; W456-F467 HydrophobicContact CZ3-CZ 3.5Å; W456-F467 VanDerWaalsContact CZ3-CZ 3.5Å; W456-K477 HydrophobicContact CE3-CD 4.44Å; W456-K477 HydrophobicContact CH2-CB 4.48Å; W456-K477 HydrophobicContact CH2-CD 3.96Å; W456-K477 HydrophobicContact CZ3-CD 3.73Å; W456-F480 HydrophobicContact CH2-CB 4.05Å; W456-F480 HydrophobicContact CH2-CD2 4.11Å; W456-F480 HydrophobicContact CZ2-CB 4.45Å
457	E	93.9	Very high	96	Very high	116 Å²	116	47.1 Å²	47.1	54%	0.542	25%	0.248	S	C	.	.	S	Bend	trans	-60.2	136.4	170.1	-168.7	-157.4	150.6	0	0	109.8	R466	E457-R466 VanDerWaalsContact O-CZ 3.27Å; E457-R466 PolarHBondContact O-NH1 3.33Å; E457-R466 PolarHBondContact O-NH2 2.87Å; E457-R466 VanDerWaalsContact O-NH2 3.1Å
458	K	94.1	Very high	96	Very high	105 Å²	105	46.9 Å²	46.9	46%	0.457	25%	0.249	S	C	.	.	S	Bend	trans	46.2	60.5	-179.9	-63.1	168.5	-172.7	163.1	0	111.8	E460 D461 R466	K458-E460 PolarHBondContact O-N 3.27Å; K458-E460 VanDerWaalsContact O-N 3.11Å; K458-D461 HydrophobicContact CB-CB 4Å; K458-D461 WeakPolarHBondContact CB-OD2 3.01Å; K458-D461 PolarHBondContact O-N 3.27Å; K458-D461 VanDerWaalsContact O-N 3.07Å; K458-R466 PolarHBondContact O-NH2 2.75Å
459	P	95.2	Very high	96	Very high	25 Å²	25	48.6 Å²	48.6	16%	0.162	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.8	-165.1	24.3	-33.8	0	0	0	114	R412 R451 P453 W456	R412-P459 PolarHBondContact NH1-O 2.58Å; R412-P459 PolarHBondContact NH2-O 3.36Å; R451-P459 HydrophobicContact CB-CB 4.36Å; R451-P459 VanDerWaalsContact O-CB 3.31Å; R451-P459 WeakPolarHBondContact O-CB 3.13Å; P453-P459 HydrophobicContact CB-CG 4.25Å; W456-P459 HydrophobicContact CB-CB 4.14Å; W456-P459 WeakPolarHBondContact O-CD 3.39Å
460	E	94.2	Very high	95.8	Very high	105 Å²	105	56.2 Å²	56.2	49%	0.491	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.2	179.2	-56.5	-57.8	160.2	0	0	113.4	R451 K458	R451-E460 WeakPolarHBondContact CD-OE1 3.43Å; R451-E460 IonicContact CZ-OE2 3.93Å; R451-E460 IonicContact NE-OE1 3.31Å; R451-E460 IonicContact NE-OE2 3.94Å; R451-E460 PolarHBondContact NE-OE2 2.99Å; K458-E460 PolarHBondContact O-N 3.27Å; K458-E460 VanDerWaalsContact O-N 3.11Å
461	D	95.6	Very high	95.7	Very high	88 Å²	88	62.8 Å²	62.8	47%	0.471	33%	0.328	S	S	.	.	S	Bend	trans	-85.8	141.8	-177.7	-63.5	-11.3	0	0	0	110.7	R412 K458 Y463 R466	R412-D461 PolarHBondContact NH2-O 3.38Å; K458-D461 HydrophobicContact CB-CB 4Å; K458-D461 WeakPolarHBondContact CB-OD2 3.01Å; K458-D461 PolarHBondContact O-N 3.27Å; K458-D461 VanDerWaalsContact O-N 3.07Å; D461-Y463 PolarHBondContact O-N 3.4Å; D461-R466 PolarHBondContact O-NH2 2.97Å
462	F	97.6	Very high	95.5	Very high	32 Å²	32	62.8 Å²	62.8	14%	0.14	34%	0.336	C	S	.	.			trans	-76.9	102.6	168.7	-177.6	-116.3	0	0	0	109.8	Y367 M368 N371 V374 T406 E409 V410 L413 P464	Y367-F462 HydrophobicContact CD1-CB 4.05Å; Y367-F462 HydrophobicContact CD1-CD1 4.04Å; Y367-F462 AromaticContact CD1-CD2 3.6Å; Y367-F462 HydrophobicContact CD1-CD2 3.6Å; Y367-F462 HydrophobicContact CD1-CE1 4.38Å; Y367-F462 HydrophobicContact CD1-CE2 4.02Å; Y367-F462 AromaticContact CD1-CG 3.62Å; Y367-F462 HydrophobicContact CD1-CG 3.62Å; Y367-F462 HydrophobicContact CD1-CZ 4.38Å; Y367-F462 HydrophobicContact CE1-CB 3.93Å; Y367-F462 AromaticContact CE1-CD2 3.92Å; Y367-F462 HydrophobicContact CE1-CD2 3.92Å; Y367-F462 AromaticContact CE1-CG 3.97Å; Y367-F462 HydrophobicContact CE1-CG 3.97Å; Y367-F462 HydrophobicContact CG-CD2 4.29Å; Y367-F462 HydrophobicContact CG-CE2 4.28Å; M368-F462 HydrophobicContact CE-CE1 3.89Å; M368-F462 HydrophobicContact CE-CZ 3.66Å; N371-F462 HydrophobicContact CB-CD1 4.17Å; N371-F462 HydrophobicContact CB-CE1 4.14Å; V374-F462 HydrophobicContact CB-CE1 4.14Å; V374-F462 HydrophobicContact CG1-CE1 3.87Å; V374-F462 HydrophobicContact CG1-CZ 4.25Å; V374-F462 HydrophobicContact CG2-CD1 4.41Å; V374-F462 HydrophobicContact CG2-CE1 3.99Å; T406-F462 HydrophobicContact CG2-CZ 4.05Å; E409-F462 HydrophobicContact CB-CD2 4.33Å; E409-F462 HydrophobicContact CB-CE2 3.99Å; E409-F462 HydrophobicContact CG-CD2 3.45Å; E409-F462 VanDerWaalsContact CG-CD2 3.45Å; E409-F462 HydrophobicContact CG-CE2 3.61Å; E409-F462 HydrophobicContact CG-CG 4.4Å; V410-F462 HydrophobicContact CG2-CE2 3.67Å; V410-F462 HydrophobicContact CG2-CZ 4.09Å; L413-F462 HydrophobicContact CD1-CB 3.84Å; L413-F462 HydrophobicContact CD1-CD2 3.84Å; L413-F462 HydrophobicContact CD1-CG 4.35Å; F462-P464 HydrophobicContact CE1-CG 4.2Å; F462-P464 HydrophobicContact CE2-CG 4.45Å; F462-P464 HydrophobicContact CZ-CG 4.03Å
463	Y	96.9	Very high	95.5	Very high	82 Å²	82	66 Å²	66	32%	0.322	35%	0.351	S	S	.	.			trans	-140.5	86.1	-173.6	-177.7	-123.3	0	0	0	111.6	E409 D461 N465 R466	E409-Y463 PolarHBondContact OE1-N 3.22Å; D461-Y463 PolarHBondContact O-N 3.4Å; Y463-N465 VanDerWaalsContact C-N 3.26Å; Y463-N465 HydrophobicContact CD2-CB 4.27Å; Y463-N465 HydrophobicContact CE1-CB 3.99Å; Y463-N465 HydrophobicContact CE2-CB 3.65Å; Y463-N465 VanDerWaalsContact CZ-CB 3.48Å; Y463-N465 PolarHBondContact O-N 3.04Å; Y463-R466 HydrophobicContact CD1-CB 3.99Å; Y463-R466 HydrophobicContact CE1-CB 4.43Å; Y463-R466 VanDerWaalsContact O-CG 3.24Å; Y463-R466 WeakPolarHBondContact O-CG 3.36Å; Y463-R466 PolarHBondContact O-N 2.85Å; Y463-R466 PolarHBondContact O-NE 2.65Å
464	P	97.7	Very high	95.6	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.026	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54	-37.4	-178.4	-29.8	36.8	0	0	0	114.5	V374 Y402 A405 T406 F462 R466 F467	V374-P464 HydrophobicContact CG1-CG 3.89Å; V374-P464 HydrophobicContact CG2-CG 4.41Å; Y402-P464 HydrophobicContact CE2-CB 4.41Å; A405-P464 HydrophobicContact CB-CB 4.47Å; T406-P464 HydrophobicContact CG2-CG 4.46Å; F462-P464 HydrophobicContact CE1-CG 4.2Å; F462-P464 HydrophobicContact CE2-CG 4.45Å; F462-P464 HydrophobicContact CZ-CG 4.03Å; P464-R466 PolarHBondContact O-N 3Å; P464-F467 PolarHBondContact O-N 3.38Å
465	N	96.4	Very high	95.6	Very high	60 Å²	60	61.9 Å²	61.9	32%	0.321	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-56.3	-16.7	-178.2	-72	4.6	0	0	0	114.3	Y402 Y463 F467 L468	Y402-N465 WeakPolarHBondContact CE2-OD1 3.35Å; Y463-N465 VanDerWaalsContact C-N 3.26Å; Y463-N465 HydrophobicContact CD2-CB 4.27Å; Y463-N465 HydrophobicContact CE1-CB 3.99Å; Y463-N465 HydrophobicContact CE2-CB 3.65Å; Y463-N465 VanDerWaalsContact CZ-CB 3.48Å; Y463-N465 PolarHBondContact O-N 3.04Å; N465-F467 PolarHBondContact O-N 2.7Å; N465-F467 VanDerWaalsContact O-N 3.16Å; N465-L468 PolarHBondContact O-N 3.22Å
466	R	95.8	Very high	95.5	Very high	16 Å²	16	68.2 Å²	68.2	6%	0.06	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.9	-18.3	174.3	76.5	177.6	65.6	-97.7	15.5	114.7	E409 E457 K458 D461 Y463 P464 K477	E409-R466 IonicContact OE1-CZ 3.87Å; E409-R466 IonicContact OE1-NE 2.76Å; E409-R466 PolarHBondContact OE1-NE 2.7Å; E409-R466 IonicContact OE1-NH2 3.21Å; E409-R466 PolarHBondContact OE1-NH2 3.05Å; E409-R466 WeakPolarHBondContact OE2-CD 3.44Å; E409-R466 IonicContact OE2-NE 3.68Å; E409-R466 PolarHBondContact OE2-NE 2.88Å; E409-R466 VanDerWaalsContact OE2-NE 3.07Å; E457-R466 VanDerWaalsContact O-CZ 3.27Å; E457-R466 PolarHBondContact O-NH1 3.33Å; E457-R466 PolarHBondContact O-NH2 2.87Å; E457-R466 VanDerWaalsContact O-NH2 3.1Å; K458-R466 PolarHBondContact O-NH2 2.75Å; D461-R466 PolarHBondContact O-NH2 2.97Å; Y463-R466 HydrophobicContact CD1-CB 3.99Å; Y463-R466 HydrophobicContact CE1-CB 4.43Å; Y463-R466 VanDerWaalsContact O-CG 3.24Å; Y463-R466 WeakPolarHBondContact O-CG 3.36Å; Y463-R466 PolarHBondContact O-N 2.85Å; Y463-R466 PolarHBondContact O-NE 2.65Å; P464-R466 PolarHBondContact O-N 3Å; R466-K477 WeakPolarHBondContact O-CE 3.44Å
467	F	97.5	Very high	95.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-100.2	10.7	176.1	-67.9	-73	0	0	0	111.8	A405 M408 E409 R412 W456 P464 N465 L474 I475 F480	A405-F467 HydrophobicContact CB-CB 3.8Å; M408-F467 HydrophobicContact CB-CD1 4.42Å; M408-F467 HydrophobicContact CB-CD2 3.98Å; M408-F467 HydrophobicContact CB-CE1 4.39Å; M408-F467 HydrophobicContact CB-CE2 3.96Å; M408-F467 HydrophobicContact CB-CG 4.22Å; M408-F467 HydrophobicContact CB-CZ 4.15Å; M408-F467 HydrophobicContact CE-CD1 3.48Å; M408-F467 VanDerWaalsContact CE-CD1 3.48Å; M408-F467 HydrophobicContact CE-CE1 3.63Å; M408-F467 HydrophobicContact CE-CG 4.18Å; M408-F467 HydrophobicContact CE-CZ 4.44Å; M408-F467 HydrophobicContact SD-CD1 4.46Å; E409-F467 HydrophobicContact CB-CD2 4.23Å; E409-F467 HydrophobicContact CB-CE2 4.02Å; E409-F467 WeakPolarHBondContact OE2-CE2 3.38Å; R412-F467 HydrophobicContact CB-CZ 4.28Å; W456-F467 AromaticContact CH2-CE1 3.78Å; W456-F467 HydrophobicContact CH2-CE1 3.78Å; W456-F467 AromaticContact CH2-CZ 3.74Å; W456-F467 HydrophobicContact CH2-CZ 3.74Å; W456-F467 AromaticContact CZ3-CE1 3.66Å; W456-F467 HydrophobicContact CZ3-CE1 3.66Å; W456-F467 HydrophobicContact CZ3-CE2 4.37Å; W456-F467 AromaticContact CZ3-CZ 3.5Å; W456-F467 HydrophobicContact CZ3-CZ 3.5Å; W456-F467 VanDerWaalsContact CZ3-CZ 3.5Å; P464-F467 PolarHBondContact O-N 3.38Å; N465-F467 PolarHBondContact O-N 2.7Å; N465-F467 VanDerWaalsContact O-N 3.16Å; F467-L474 HydrophobicContact CB-CD1 4.27Å; F467-L474 CarbonylContact O-C 3.57Å; F467-L474 WeakPolarHBondContact O-CA 3.32Å; F467-I475 PolarHBondContact O-N 2.85Å; F467-F480 HydrophobicContact CE1-CB 4.43Å; F467-F480 HydrophobicContact CE1-CD2 4.02Å; F467-F480 HydrophobicContact CE1-CG 4.17Å; F467-F480 AromaticContact CZ-CD2 3.81Å; F467-F480 HydrophobicContact CZ-CD2 3.81Å; F467-F480 HydrophobicContact CZ-CE2 4.02Å; F467-F480 HydrophobicContact CZ-CG 4.42Å
468	L	97.4	Very high	95.5	Very high	26 Å²	26	71.6 Å²	71.6	14%	0.136	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-118.5	143.7	177.8	-58.7	177.5	0	0	0	110	P401 Y402 A405 N465 Q473 L474 I475	P401-L468 HydrophobicContact CB-CD2 3.92Å; Y402-L468 HydrophobicContact CD2-CD1 3.74Å; A405-L468 HydrophobicContact CB-CD1 4.37Å; A405-L468 HydrophobicContact CB-CD2 3.82Å; A405-L468 HydrophobicContact CB-CG 3.92Å; N465-L468 PolarHBondContact O-N 3.22Å; L468-Q473 CarbonylContact C-O 3.59Å; L468-Q473 VanDerWaalsContact CA-O 3.28Å; L468-Q473 WeakPolarHBondContact CA-O 3.41Å; L468-L474 HydrophobicContact CD2-CD1 4.44Å; L468-I475 VanDerWaalsContact C-CD1 3.44Å; L468-I475 VanDerWaalsContact O-CD1 3.28Å; L468-I475 WeakPolarHBondContact O-CD1 3.17Å
469	D	95.9	Very high	95.6	Very high	56 Å²	56	67.7 Å²	67.7	30%	0.299	34%	0.335	S	S	.	.			trans	-85.2	179.9	167.6	65.4	20.4	0	0	0	111.5	Q471 G472 Q473 I475	D469-Q471 PolarHBondContact O-N 3.42Å; D469-Q471 VanDerWaalsContact O-N 3.11Å; D469-Q471 WeakPolarHBondContact OD1-CA 3.39Å; D469-Q471 WeakPolarHBondContact OD1-CB 3.45Å; D469-Q471 PolarHBondContact OD1-N 2.85Å; D469-G472 PolarHBondContact O-N 2.97Å; D469-G472 PolarHBondContact OD1-N 3.04Å; D469-G472 VanDerWaalsContact OD1-N 3.08Å; D469-Q473 PolarHBondContact N-O 3.18Å; D469-Q473 PolarHBondContact OD1-N 3.48Å; D469-Q473 WeakPolarHBondContact OD2-CB 3.28Å; D469-I475 HydrophobicContact CB-CD1 3.94Å; D469-I475 HydrophobicContact CB-CG1 3.97Å
470	D	94.7	Very high	95.7	Very high	161 Å²	161	67.9 Å²	67.9	86%	0.861	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	-179.4	-61.3	-28.7	0	0	0	112.8
471	Q	94.6	Very high	95.9	Very high	138 Å²	138	63.2 Å²	63.2	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	4.9	175.6	-64.5	73.3	47.8	0	0	112.3	D469 Q473	D469-Q471 PolarHBondContact O-N 3.42Å; D469-Q471 VanDerWaalsContact O-N 3.11Å; D469-Q471 WeakPolarHBondContact OD1-CA 3.39Å; D469-Q471 WeakPolarHBondContact OD1-CB 3.45Å; D469-Q471 PolarHBondContact OD1-N 2.85Å; Q471-Q473 VanDerWaalsContact C-N 3.25Å; Q471-Q473 HydrophobicContact CB-CG 4.26Å; Q471-Q473 PolarHBondContact O-N 2.89Å
472	G	94	Very high	96	Very high	28 Å²	28	59.6 Å²	59.6	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	71.1	17.3	-177.8	0	0	0	0	0	113.8	P401 D469	P401-G472 VanDerWaalsContact CB-O 3.25Å; P401-G472 WeakPolarHBondContact CB-O 3.47Å; P401-G472 WeakPolarHBondContact CG-O 3.41Å; D469-G472 PolarHBondContact O-N 2.97Å; D469-G472 PolarHBondContact OD1-N 3.04Å; D469-G472 VanDerWaalsContact OD1-N 3.08Å
473	Q	95.4	Very high	96	Very high	105 Å²	105	59.7 Å²	59.7	49%	0.491	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-89.4	151.5	175.8	-54.9	-58.7	-60.5	0	0	111.2	L468 D469 Q471 I475	L468-Q473 CarbonylContact C-O 3.59Å; L468-Q473 VanDerWaalsContact CA-O 3.28Å; L468-Q473 WeakPolarHBondContact CA-O 3.41Å; D469-Q473 PolarHBondContact N-O 3.18Å; D469-Q473 PolarHBondContact OD1-N 3.48Å; D469-Q473 WeakPolarHBondContact OD2-CB 3.28Å; Q471-Q473 VanDerWaalsContact C-N 3.25Å; Q471-Q473 HydrophobicContact CB-CG 4.26Å; Q471-Q473 PolarHBondContact O-N 2.89Å; Q473-I475 PolarHBondContact O-N 2.84Å
474	L	96.4	Very high	96	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.209	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-72.1	124.1	-175.1	-167.6	82.1	0	0	0	112.6	P401 E404 A405 M408 F467 L468	P401-L474 HydrophobicContact CB-CB 4.45Å; E404-L474 HydrophobicContact CB-CD1 4.12Å; E404-L474 HydrophobicContact CB-CD2 4.4Å; E404-L474 HydrophobicContact CG-CD1 3.99Å; E404-L474 HydrophobicContact CG-CD2 3.68Å; E404-L474 HydrophobicContact CG-CG 4.49Å; E404-L474 WeakPolarHBondContact OE2-CD2 3.46Å; A405-L474 HydrophobicContact CB-CD1 4Å; M408-L474 HydrophobicContact SD-CD1 3.9Å; M408-L474 HydrophobicContact SD-CD2 3.97Å; M408-L474 HydrophobicContact SD-CG 4.28Å; F467-L474 HydrophobicContact CB-CD1 4.27Å; F467-L474 CarbonylContact O-C 3.57Å; F467-L474 WeakPolarHBondContact O-CA 3.32Å; L468-L474 HydrophobicContact CD2-CD1 4.44Å
475	I	95	Very high	96	Very high	62 Å²	62	58 Å²	58	32%	0.318	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-89	120.6	173.2	-56.8	175.8	0	0	0	110.3	F467 L468 D469 Q473 K477	F467-I475 PolarHBondContact O-N 2.85Å; L468-I475 VanDerWaalsContact C-CD1 3.44Å; L468-I475 VanDerWaalsContact O-CD1 3.28Å; L468-I475 WeakPolarHBondContact O-CD1 3.17Å; D469-I475 HydrophobicContact CB-CD1 3.94Å; D469-I475 HydrophobicContact CB-CG1 3.97Å; Q473-I475 PolarHBondContact O-N 2.84Å; I475-K477 HydrophobicContact CG2-CG 4.11Å
476	K	91.5	Very high	96.1	Very high	183 Å²	183	56.4 Å²	56.4	80%	0.796	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-87.9	116.2	170.5	-65.7	178.9	-176.8	171.9	0	110.2
477	K	93.9	Very high	96.1	Very high	67 Å²	67	58.8 Å²	58.8	29%	0.291	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-100.3	127.5	176.4	-58.8	-168.1	-178.3	-144.3	0	110.5	W456 R466 I475 T479 F480	W456-K477 HydrophobicContact CE3-CD 4.44Å; W456-K477 HydrophobicContact CH2-CB 4.48Å; W456-K477 HydrophobicContact CH2-CD 3.96Å; W456-K477 HydrophobicContact CZ3-CD 3.73Å; R466-K477 WeakPolarHBondContact O-CE 3.44Å; I475-K477 HydrophobicContact CG2-CG 4.11Å; K477-T479 PolarHBondContact O-N 3.2Å; K477-F480 HydrophobicContact CB-CB 4.29Å; K477-F480 WeakPolarHBondContact O-CB 3.4Å; K477-F480 PolarHBondContact O-N 3.25Å
478	E	95.1	Very high	96.1	Very high	120 Å²	120	59.8 Å²	59.8	56%	0.561	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.2	176.1	-161.6	-169.9	165.4	0	0	111.9	F133 R137 F480 I481	F133-E478 VanDerWaalsContact CE2-O 3.32Å; F133-E478 WeakPolarHBondContact CE2-O 3.39Å; F133-E478 HydrophobicContact CZ-CB 4.33Å; F133-E478 HydrophobicContact CZ-CG 3.91Å; F133-E478 WeakPolarHBondContact CZ-O 3.43Å; R137-E478 IonicContact CZ-OE1 2.67Å; R137-E478 VanDerWaalsContact CZ-OE1 3.31Å; R137-E478 IonicContact NE-OE1 3.76Å; R137-E478 PolarHBondContact NE-OE1 3.17Å; R137-E478 IonicContact NH2-OE1 3.19Å; R137-E478 PolarHBondContact NH2-OE1 2.82Å; R137-E478 IonicContact NH2-OE2 3.66Å; E478-F480 PolarHBondContact O-N 2.84Å; E478-I481 WeakPolarHBondContact O-CG2 3.37Å
479	T	96.6	Very high	96.2	Very high	23 Å²	23	60.5 Å²	60.5	14%	0.141	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.8	177.2	57.5	0	0	0	0	113.5	F133 I455 K477 I481	F133-T479 HydrophobicContact CB-CG2 4.3Å; F133-T479 HydrophobicContact CD1-CG2 3.68Å; F133-T479 HydrophobicContact CD2-CG2 4.19Å; F133-T479 HydrophobicContact CE1-CG2 3.97Å; F133-T479 HydrophobicContact CE2-CG2 4.47Å; F133-T479 HydrophobicContact CG-CG2 3.79Å; F133-T479 HydrophobicContact CZ-CG2 4.37Å; I455-T479 HydrophobicContact CD1-CG2 4.01Å; I455-T479 HydrophobicContact CG2-CG2 3.77Å; I455-T479 WeakPolarHBondContact CG2-OG1 3.14Å; K477-T479 PolarHBondContact O-N 3.2Å; T479-I481 PolarHBondContact O-N 3.25Å
480	F	97.9	Very high	96.3	Very high	29 Å²	29	60.3 Å²	60.3	13%	0.127	31%	0.314	C	S	.	.			trans	-83.8	89.1	175.7	-176	-111.1	0	0	0	110.8	M408 Q411 R412 H450 W456 F467 K477 E478 P482	M408-F480 HydrophobicContact CB-CE1 4.22Å; M408-F480 HydrophobicContact CB-CE2 4.39Å; M408-F480 HydrophobicContact CB-CZ 3.83Å; M408-F480 HydrophobicContact CE-CD1 3.65Å; M408-F480 HydrophobicContact CE-CE1 3.71Å; M408-F480 HydrophobicContact CE-CG 4.21Å; M408-F480 HydrophobicContact CE-CZ 4.34Å; M408-F480 HydrophobicContact CG-CE1 3.92Å; M408-F480 HydrophobicContact CG-CZ 4Å; M408-F480 VanDerWaalsContact O-CE2 3.26Å; M408-F480 WeakPolarHBondContact O-CE2 3.46Å; M408-F480 WeakPolarHBondContact O-CZ 3.44Å; Q411-F480 HydrophobicContact CB-CE2 4.25Å; Q411-F480 HydrophobicContact CB-CZ 3.86Å; R412-F480 HydrophobicContact CB-CD2 4.3Å; R412-F480 HydrophobicContact CB-CE2 3.9Å; H450-F480 AromaticContact NE2-CD2 3.99Å; W456-F480 HydrophobicContact CH2-CB 4.05Å; W456-F480 HydrophobicContact CH2-CD2 4.11Å; W456-F480 HydrophobicContact CZ2-CB 4.45Å; F467-F480 HydrophobicContact CE1-CB 4.43Å; F467-F480 HydrophobicContact CE1-CD2 4.02Å; F467-F480 HydrophobicContact CE1-CG 4.17Å; F467-F480 AromaticContact CZ-CD2 3.81Å; F467-F480 HydrophobicContact CZ-CD2 3.81Å; F467-F480 HydrophobicContact CZ-CE2 4.02Å; F467-F480 HydrophobicContact CZ-CG 4.42Å; K477-F480 HydrophobicContact CB-CB 4.29Å; K477-F480 WeakPolarHBondContact O-CB 3.4Å; K477-F480 PolarHBondContact O-N 3.25Å; E478-F480 PolarHBondContact O-N 2.84Å; F480-P482 HydrophobicContact CD1-CG 4.19Å; F480-P482 HydrophobicContact CE1-CG 3.64Å; F480-P482 HydrophobicContact CE2-CG 4.02Å; F480-P482 HydrophobicContact CZ-CB 4.47Å; F480-P482 HydrophobicContact CZ-CG 3.56Å; F480-P482 VanDerWaalsContact O-CD 3.32Å; F480-P482 WeakPolarHBondContact O-CD 3.22Å
481	I	98.1	Very high	96.4	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	28%	0.278	C	S	.	.			trans	-118.3	48.7	-172.6	58.1	169.6	0	0	0	115.2	F133 V136 L446 V449 H450 E478 T479 F483 G484 I485	F133-I481 HydrophobicContact CD2-CD1 4.08Å; F133-I481 HydrophobicContact CE2-CD1 4.27Å; F133-I481 HydrophobicContact CE2-CG2 4.01Å; V136-I481 HydrophobicContact CG1-CD1 4.05Å; L446-I481 HydrophobicContact CD2-CD1 3.64Å; L446-I481 HydrophobicContact CD2-CG1 4.13Å; V449-I481 HydrophobicContact CG1-CD1 4.13Å; V449-I481 HydrophobicContact CG1-CG1 4.28Å; H450-I481 VanDerWaalsContact CE1-C 3.46Å; H450-I481 PolarHBondContact NE2-N 2.89Å; E478-I481 WeakPolarHBondContact O-CG2 3.37Å; T479-I481 PolarHBondContact O-N 3.25Å; I481-F483 PolarHBondContact O-N 3.2Å; I481-F483 VanDerWaalsContact O-N 3.12Å; I481-G484 PolarHBondContact O-N 3.09Å; I481-I485 HydrophobicContact CB-CG2 3.87Å; I481-I485 HydrophobicContact CD1-CD1 4.48Å; I481-I485 HydrophobicContact CG2-CG2 3.3Å
482	P	97.6	Very high	96.5	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.078	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.8	-177.4	30.3	-37.6	0	0	0	113.8	Q411 F480	Q411-P482 HydrophobicContact CB-CB 4.3Å; Q411-P482 HydrophobicContact CB-CG 4.48Å; F480-P482 HydrophobicContact CD1-CG 4.19Å; F480-P482 HydrophobicContact CE1-CG 3.64Å; F480-P482 HydrophobicContact CE2-CG 4.02Å; F480-P482 HydrophobicContact CZ-CB 4.47Å; F480-P482 HydrophobicContact CZ-CG 3.56Å; F480-P482 VanDerWaalsContact O-CD 3.32Å; F480-P482 WeakPolarHBondContact O-CD 3.22Å
483	F	98.1	Very high	96.6	Very high	34 Å²	34	49.5 Å²	49.5	15%	0.149	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	8.9	178	-64.8	-75.6	0	0	0	113.5	I481 C490 E493 A496 K497	I481-F483 PolarHBondContact O-N 3.2Å; I481-F483 VanDerWaalsContact O-N 3.12Å; F483-C490 HydrophobicContact CB-CB 3.78Å; F483-C490 HydrophobicContact CD1-CB 3.83Å; F483-C490 HydrophobicContact CG-CB 4.26Å; F483-C490 PolarHBondContact O-N 2.93Å; F483-E493 HydrophobicContact CB-CB 4.43Å; F483-E493 HydrophobicContact CB-CG 4.26Å; F483-E493 HydrophobicContact CD1-CB 4.1Å; F483-E493 HydrophobicContact CD1-CG 4.13Å; F483-E493 HydrophobicContact CD2-CG 3.72Å; F483-E493 HydrophobicContact CE1-CG 4.42Å; F483-E493 HydrophobicContact CE2-CG 4.06Å; F483-E493 HydrophobicContact CG-CB 4.1Å; F483-E493 HydrophobicContact CG-CG 3.76Å; F483-E493 HydrophobicContact CZ-CG 4.39Å; F483-A496 HydrophobicContact CE1-CB 3.79Å; F483-A496 HydrophobicContact CZ-CB 4.12Å; F483-K497 HydrophobicContact CE2-CD 4.48Å; F483-K497 HydrophobicContact CE2-CG 4.11Å; F483-K497 HydrophobicContact CZ-CG 4.17Å
484	G	97.3	Very high	96.6	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	25%	0.253	C	S	.	.			trans	69.8	-173.4	-168.5	0	0	0	0	0	112.6	I481	I481-G484 PolarHBondContact O-N 3.09Å
485	I	97.8	Very high	96.6	Very high	31 Å²	31	47 Å²	47	16%	0.159	25%	0.245	C	C	.	.			trans	-143.6	171	-179.7	57.8	177.8	0	0	0	111.3	V136 R137 L140 V141 I481	V136-I485 HydrophobicContact CG1-CD1 3.98Å; V136-I485 HydrophobicContact CG1-CG1 4.31Å; R137-I485 HydrophobicContact CB-CD1 4.29Å; L140-I485 HydrophobicContact CB-CG1 4.08Å; L140-I485 HydrophobicContact CD1-CG1 4.18Å; V141-I485 HydrophobicContact CG2-CB 4.14Å; V141-I485 HydrophobicContact CG2-CD1 3.75Å; V141-I485 HydrophobicContact CG2-CG1 4Å; I481-I485 HydrophobicContact CB-CG2 3.87Å; I481-I485 HydrophobicContact CD1-CD1 4.48Å; I481-I485 HydrophobicContact CG2-CG2 3.3Å
486	G	97.3	Very high	96.7	Very high	27 Å²	27	44.4 Å²	44.4	28%	0.278	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	78	-159.4	176.9	0	0	0	0	0	113.2	L140 R488 V489	L140-G486 WeakPolarHBondContact O-CA 3.29Å; G486-R488 PolarHBondContact O-N 3.19Å; G486-R488 VanDerWaalsContact O-N 3.16Å; G486-V489 WeakPolarHBondContact O-CB 3.49Å; G486-V489 WeakPolarHBondContact O-CG1 3.29Å; G486-V489 PolarHBondContact O-N 3.29Å; G486-V489 VanDerWaalsContact O-N 3.09Å
487	K	97	Very high	97	Very high	67 Å²	67	39.3 Å²	39.3	29%	0.291	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22	-171.9	-60.1	-171	-177.6	-158.4	0	114.1	A144 E145 Y170 W174	A144-K487 HydrophobicContact CB-CD 4.1Å; A144-K487 HydrophobicContact CB-CG 3.95Å; E145-K487 IonicContact OE1-NZ 3.7Å; E145-K487 PolarHBondContact OE1-NZ 3.28Å; E145-K487 IonicContact OE2-NZ 3.35Å; E145-K487 PolarHBondContact OE2-NZ 3.43Å; Y170-K487 HydrophobicContact CE2-CB 4.42Å; Y170-K487 HydrophobicContact CE2-CD 3.9Å; Y170-K487 WeakPolarHBondContact OH-CD 3.49Å; Y170-K487 WeakPolarHBondContact OH-CE 3.48Å; Y170-K487 PolarHBondContact OH-NZ 2.87Å; W174-K487 WeakPolarHBondContact CH2-O 3.46Å
488	R	97.7	Very high	97.1	Very high	20 Å²	20	36.7 Å²	36.7	8%	0.075	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-99.1	13.5	178.5	-66.8	-73.2	-172.3	158.4	-0.3	113	S148 V165 A168 G486	S148-R488 PolarHBondContact O-NE 2.89Å; S148-R488 PolarHBondContact O-NH2 2.85Å; V165-R488 PolarHBondContact O-NH1 2.75Å; A168-R488 VanDerWaalsContact O-CZ 3.31Å; A168-R488 PolarHBondContact O-NH1 3.37Å; A168-R488 PolarHBondContact O-NH2 2.79Å; G486-R488 PolarHBondContact O-N 3.19Å; G486-R488 VanDerWaalsContact O-N 3.16Å
489	V	97.7	Very high	97.2	Very high	42 Å²	42	31 Å²	31	26%	0.255	17%	0.173	S	C	.	.			trans	-47.3	145.4	172.8	65.5	0	0	0	0	110.9	R178 G486 M491	R178-V489 PolarHBondContact NH1-O 2.56Å; R178-V489 PolarHBondContact NH2-O 3.18Å; G486-V489 WeakPolarHBondContact O-CB 3.49Å; G486-V489 WeakPolarHBondContact O-CG1 3.29Å; G486-V489 PolarHBondContact O-N 3.29Å; G486-V489 VanDerWaalsContact O-N 3.09Å; V489-M491 PolarHBondContact O-N 3.36Å
490	C	98.3	Very high	97.3	Very high	51 Å²	51	30 Å²	30	35%	0.345	17%	0.167	S	C	.	.			trans	-50.9	125	-176.6	-174.9	0	0	0	0	111.6	F483 G492 E493	F483-C490 HydrophobicContact CB-CB 3.78Å; F483-C490 HydrophobicContact CD1-CB 3.83Å; F483-C490 HydrophobicContact CG-CB 4.26Å; F483-C490 PolarHBondContact O-N 2.93Å; C490-G492 VanDerWaalsContact C-N 3.27Å; C490-G492 PolarHBondContact O-N 3.03Å; C490-G492 PolarHBondContact SG-N 2.98Å; C490-G492 VanDerWaalsContact SG-N 3.41Å; C490-E493 HydrophobicContact CB-CB 4.28Å
491	M	96.6	Very high	97.3	Very high	21 Å²	21	28.8 Å²	28.8	10%	0.103	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.7	178.2	-171.4	173.8	68.5	0	0	111.9	V165 R178 H182 L185 L349 V489	V165-M491 HydrophobicContact CG1-CE 4.36Å; V165-M491 HydrophobicContact CG1-SD 4.28Å; R178-M491 HydrophobicContact CG-SD 3.95Å; H182-M491 HydrophobicContact CB-CG 3.96Å; H182-M491 HydrophobicContact CB-SD 3.99Å; L185-M491 HydrophobicContact CD1-CE 4.2Å; L349-M491 HydrophobicContact CD2-CE 3.4Å; V489-M491 PolarHBondContact O-N 3.36Å
492	G	96.8	Very high	97.4	Very high	24 Å²	24	28.5 Å²	28.5	25%	0.247	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.2	179.4	0	0	0	0	0	114.6	C490 Q494 L495 A496	C490-G492 VanDerWaalsContact C-N 3.27Å; C490-G492 PolarHBondContact O-N 3.03Å; C490-G492 PolarHBondContact SG-N 2.98Å; C490-G492 VanDerWaalsContact SG-N 3.41Å; G492-Q494 VanDerWaalsContact C-N 3.29Å; G492-Q494 PolarHBondContact O-N 3.02Å; G492-L495 PolarHBondContact O-N 3.45Å; G492-L495 VanDerWaalsContact O-N 3.14Å; G492-A496 WeakPolarHBondContact O-CB 3.1Å; G492-A496 PolarHBondContact O-N 3.31Å
493	E	96.9	Very high	97.4	Very high	55 Å²	55	28.1 Å²	28.1	26%	0.257	16%	0.157	S	C	.	.	H	α-helix	trans	-52.9	-45.1	-174.8	175.5	179.4	171.2	0	0	112.8	F483 C490 K497	F483-E493 HydrophobicContact CB-CB 4.43Å; F483-E493 HydrophobicContact CB-CG 4.26Å; F483-E493 HydrophobicContact CD1-CB 4.1Å; F483-E493 HydrophobicContact CD1-CG 4.13Å; F483-E493 HydrophobicContact CD2-CG 3.72Å; F483-E493 HydrophobicContact CE1-CG 4.42Å; F483-E493 HydrophobicContact CE2-CG 4.06Å; F483-E493 HydrophobicContact CG-CB 4.1Å; F483-E493 HydrophobicContact CG-CG 3.76Å; F483-E493 HydrophobicContact CZ-CG 4.39Å; C490-E493 HydrophobicContact CB-CB 4.28Å; E493-K497 HydrophobicContact CG-CD 4.09Å; E493-K497 WeakPolarHBondContact O-CB 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.33Å; E493-K497 PolarHBondContact O-N 2.82Å; E493-K497 WeakPolarHBondContact OE1-CE 3.32Å; E493-K497 IonicContact OE1-NZ 3.91Å; E493-K497 PolarHBondContact OE1-NZ 3.41Å
494	Q	95.9	Very high	97.4	Very high	84 Å²	84	26.5 Å²	26.5	39%	0.393	15%	0.15	S	C	.	.	H	α-helix	trans	-66.7	-43.4	-178.8	-65.8	178.9	21.4	0	0	111.2	L190 G492 K497 M498	L190-Q494 HydrophobicContact CD2-CB 3.96Å; G492-Q494 VanDerWaalsContact C-N 3.29Å; G492-Q494 PolarHBondContact O-N 3.02Å; Q494-K497 PolarHBondContact O-N 3.29Å; Q494-M498 WeakPolarHBondContact O-CG 3.06Å; Q494-M498 PolarHBondContact O-N 3.42Å; Q494-M498 VanDerWaalsContact O-N 3.08Å
495	L	96.1	Very high	97.5	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-51	176.2	177.4	60.2	0	0	0	111	L190 L195 I231 I232 L235 G492 K497 M498 E499	L190-L495 HydrophobicContact CD1-CB 4.11Å; L190-L495 HydrophobicContact CG-CB 4.06Å; L195-L495 HydrophobicContact CD2-CD1 3.37Å; I231-L495 HydrophobicContact CG2-CD1 4.29Å; I232-L495 HydrophobicContact CD1-CD2 4.14Å; L235-L495 HydrophobicContact CD1-CD1 4.33Å; L235-L495 HydrophobicContact CD1-CD2 3.9Å; G492-L495 PolarHBondContact O-N 3.45Å; G492-L495 VanDerWaalsContact O-N 3.14Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 2.98Å; L495-M498 WeakPolarHBondContact O-CB 3.14Å; L495-M498 PolarHBondContact O-N 2.89Å; L495-E499 HydrophobicContact CD1-CG 4.05Å; L495-E499 WeakPolarHBondContact CD1-OE1 3.41Å; L495-E499 HydrophobicContact CG-CG 4.39Å; L495-E499 WeakPolarHBondContact CG-OE1 3.34Å; L495-E499 WeakPolarHBondContact O-CG 3.03Å; L495-E499 PolarHBondContact O-N 3.5Å
496	A	97.4	Very high	97.6	Very high	8 Å²	8	24.2 Å²	24.2	7%	0.066	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-42.3	179.7	0	0	0	0	0	112.2	F483 G492 M498 E499 L500	F483-A496 HydrophobicContact CE1-CB 3.79Å; F483-A496 HydrophobicContact CZ-CB 4.12Å; G492-A496 WeakPolarHBondContact O-CB 3.1Å; G492-A496 PolarHBondContact O-N 3.31Å; A496-M498 VanDerWaalsContact C-N 3.32Å; A496-M498 PolarHBondContact O-N 2.96Å; A496-E499 PolarHBondContact O-N 3.19Å; A496-L500 VanDerWaalsContact O-CB 3.23Å; A496-L500 WeakPolarHBondContact O-CB 3.36Å; A496-L500 WeakPolarHBondContact O-CD1 3.09Å; A496-L500 WeakPolarHBondContact O-CG 3.35Å; A496-L500 PolarHBondContact O-N 2.71Å
497	K	97.1	Very high	97.6	Very high	77 Å²	77	23 Å²	23	34%	0.335	12%	0.121	S	C	.	.	H	α-helix	trans	-62.6	-37.9	175.6	-78.5	177	171.6	174.6	0	112.5	F483 E493 Q494 L495 F501	F483-K497 HydrophobicContact CE2-CD 4.48Å; F483-K497 HydrophobicContact CE2-CG 4.11Å; F483-K497 HydrophobicContact CZ-CG 4.17Å; E493-K497 HydrophobicContact CG-CD 4.09Å; E493-K497 WeakPolarHBondContact O-CB 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.33Å; E493-K497 PolarHBondContact O-N 2.82Å; E493-K497 WeakPolarHBondContact OE1-CE 3.32Å; E493-K497 IonicContact OE1-NZ 3.91Å; E493-K497 PolarHBondContact OE1-NZ 3.41Å; Q494-K497 PolarHBondContact O-N 3.29Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 2.98Å; K497-F501 WeakPolarHBondContact O-CB 3.24Å; K497-F501 PolarHBondContact O-N 2.82Å; K497-F501 VanDerWaalsContact O-N 3.15Å
498	M	96.5	Very high	97.7	Very high	11 Å²	11	19.9 Å²	19.9	5%	0.054	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-50.3	177	-67.1	168.4	59	0	0	111.4	G191 K192 L195 I199 L394 Q494 L495 A496 L500 F501 L502	G191-M498 WeakPolarHBondContact CA-SD 3.45Å; G191-M498 PolarHBondContact N-SD 2.67Å; G191-M498 VanDerWaalsContact N-SD 3.35Å; K192-M498 WeakPolarHBondContact O-CE 3.18Å; L195-M498 HydrophobicContact CB-CE 4.04Å; L195-M498 HydrophobicContact CD2-CE 4.44Å; I199-M498 HydrophobicContact CD1-CB 4.39Å; L394-M498 HydrophobicContact CD1-CB 4.14Å; L394-M498 HydrophobicContact CD1-CE 3.48Å; L394-M498 VanDerWaalsContact CD1-CE 3.48Å; L394-M498 HydrophobicContact CD1-CG 3.49Å; L394-M498 VanDerWaalsContact CD1-CG 3.49Å; L394-M498 HydrophobicContact CD1-SD 3.95Å; L394-M498 HydrophobicContact CD2-CB 4.05Å; L394-M498 HydrophobicContact CD2-CG 3.9Å; L394-M498 HydrophobicContact CG-CG 4.36Å; Q494-M498 WeakPolarHBondContact O-CG 3.06Å; Q494-M498 PolarHBondContact O-N 3.42Å; Q494-M498 VanDerWaalsContact O-N 3.08Å; L495-M498 WeakPolarHBondContact O-CB 3.14Å; L495-M498 PolarHBondContact O-N 2.89Å; A496-M498 VanDerWaalsContact C-N 3.32Å; A496-M498 PolarHBondContact O-N 2.96Å; M498-L500 PolarHBondContact O-N 3.27Å; M498-F501 PolarHBondContact O-N 2.99Å; M498-L502 WeakPolarHBondContact O-CB 3.31Å; M498-L502 WeakPolarHBondContact O-CG 3.42Å; M498-L502 PolarHBondContact O-N 3.48Å
499	E	97.5	Very high	97.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-47.7	178.2	-70.7	-172	-133.1	0	0	111.2	I199 I231 T357 L495 A496 F501 M503	I199-E499 HydrophobicContact CD1-CG 3.96Å; I199-E499 HydrophobicContact CG1-CG 4.49Å; I231-E499 HydrophobicContact CD1-CG 3.94Å; I231-E499 WeakPolarHBondContact CD1-OE2 3.23Å; I231-E499 HydrophobicContact CG2-CG 4.16Å; I231-E499 WeakPolarHBondContact CG2-OE1 3.29Å; T357-E499 HydrophobicContact CG2-CB 3.87Å; L495-E499 HydrophobicContact CD1-CG 4.05Å; L495-E499 WeakPolarHBondContact CD1-OE1 3.41Å; L495-E499 HydrophobicContact CG-CG 4.39Å; L495-E499 WeakPolarHBondContact CG-OE1 3.34Å; L495-E499 WeakPolarHBondContact O-CG 3.03Å; L495-E499 PolarHBondContact O-N 3.5Å; A496-E499 PolarHBondContact O-N 3.19Å; E499-F501 PolarHBondContact O-N 3.48Å; E499-M503 WeakPolarHBondContact O-CB 3.49Å; E499-M503 WeakPolarHBondContact O-CG 3.25Å; E499-M503 PolarHBondContact O-N 3.05Å
500	L	98.3	Very high	97.7	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-48.3	178.7	-75.1	168.2	0	0	0	111.5	T357 L361 I407 A496 M498 F504	T357-L500 HydrophobicContact CG2-CD2 4.43Å; T357-L500 HydrophobicContact CG2-CG 4.41Å; L361-L500 HydrophobicContact CD2-CD2 3.9Å; L361-L500 HydrophobicContact CG-CD2 3.83Å; I407-L500 HydrophobicContact CG2-CB 4.33Å; A496-L500 VanDerWaalsContact O-CB 3.23Å; A496-L500 WeakPolarHBondContact O-CB 3.36Å; A496-L500 WeakPolarHBondContact O-CD1 3.09Å; A496-L500 WeakPolarHBondContact O-CG 3.35Å; A496-L500 PolarHBondContact O-N 2.71Å; M498-L500 PolarHBondContact O-N 3.27Å; L500-F504 WeakPolarHBondContact O-CB 3.29Å; L500-F504 PolarHBondContact O-N 2.71Å
501	F	98.6	Very high	97.7	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-55.1	-179.6	-178.5	-96.6	0	0	0	111.7	L394 K397 M400 T403 I407 K497 M498 E499 M503 F504 V505	L394-F501 HydrophobicContact CD2-CD1 4.07Å; K397-F501 VanDerWaalsContact CA-CZ 3.46Å; K397-F501 HydrophobicContact CB-CD1 4.41Å; K397-F501 HydrophobicContact CB-CD2 4.41Å; K397-F501 HydrophobicContact CB-CE1 3.94Å; K397-F501 HydrophobicContact CB-CE2 3.93Å; K397-F501 HydrophobicContact CB-CZ 3.67Å; K397-F501 HydrophobicContact CD-CD2 4.26Å; K397-F501 HydrophobicContact CD-CG 4.36Å; K397-F501 HydrophobicContact CG-CD2 4.01Å; K397-F501 HydrophobicContact CG-CE2 3.81Å; K397-F501 HydrophobicContact CG-CG 4.46Å; K397-F501 HydrophobicContact CG-CZ 4.1Å; M400-F501 HydrophobicContact CB-CE2 4.49Å; M400-F501 HydrophobicContact SD-CE2 4.37Å; M400-F501 HydrophobicContact SD-CZ 3.76Å; T403-F501 HydrophobicContact CG2-CE2 4.18Å; I407-F501 HydrophobicContact CD1-CB 4.49Å; I407-F501 HydrophobicContact CD1-CD2 4.2Å; K497-F501 WeakPolarHBondContact O-CB 3.24Å; K497-F501 PolarHBondContact O-N 2.82Å; K497-F501 VanDerWaalsContact O-N 3.15Å; M498-F501 PolarHBondContact O-N 2.99Å; E499-F501 PolarHBondContact O-N 3.48Å; F501-M503 PolarHBondContact O-N 3.24Å; F501-F504 PolarHBondContact O-N 2.87Å; F501-V505 HydrophobicContact CD1-CG2 4.44Å; F501-V505 HydrophobicContact CD2-CG2 4.11Å; F501-V505 HydrophobicContact CE1-CG2 4.2Å; F501-V505 HydrophobicContact CE2-CG2 3.85Å; F501-V505 HydrophobicContact CG-CG2 4.4Å; F501-V505 HydrophobicContact CZ-CG2 3.9Å; F501-V505 VanDerWaalsContact O-CB 3.3Å; F501-V505 WeakPolarHBondContact O-CB 3.37Å; F501-V505 WeakPolarHBondContact O-CG2 3.43Å; F501-V505 PolarHBondContact O-N 2.85Å
502	L	98.5	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66	-43.5	-173.9	-65.8	171.3	0	0	0	112.1	E196 I199 I200 P392 L394 M498 S506	E196-L502 HydrophobicContact CB-CD1 4.19Å; E196-L502 HydrophobicContact CG-CD1 3.96Å; I199-L502 HydrophobicContact CB-CD1 4.15Å; I199-L502 HydrophobicContact CD1-CD1 3.85Å; I199-L502 HydrophobicContact CG2-CB 3.81Å; I199-L502 HydrophobicContact CG2-CD1 4.13Å; I200-L502 HydrophobicContact CD1-CB 4.43Å; I200-L502 HydrophobicContact CD1-CD2 4.46Å; P392-L502 HydrophobicContact CB-CD2 4.23Å; L394-L502 HydrophobicContact CD2-CD1 4.25Å; L394-L502 HydrophobicContact CD2-CD2 4.29Å; L394-L502 HydrophobicContact CD2-CG 4.04Å; L394-L502 HydrophobicContact CG-CD1 4.23Å; L394-L502 HydrophobicContact CG-CD2 4.31Å; L394-L502 HydrophobicContact CG-CG 4.36Å; M498-L502 WeakPolarHBondContact O-CB 3.31Å; M498-L502 WeakPolarHBondContact O-CG 3.42Å; M498-L502 PolarHBondContact O-N 3.48Å; L502-S506 WeakPolarHBondContact O-CB 3.27Å; L502-S506 PolarHBondContact O-N 2.78Å; L502-S506 PolarHBondContact O-OG 3.21Å
503	M	98.6	Very high	97.7	Very high	4 Å²	4	15 Å²	15	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-68.4	-45.4	177.3	-73.4	-68	-158.1	0	0	111.5	I199 E202 F203 V206 A227 I231 L361 E499 F501 S506 L507	I199-M503 HydrophobicContact CG2-CE 4.35Å; I199-M503 HydrophobicContact CG2-CG 4.02Å; I199-M503 HydrophobicContact CG2-SD 4.39Å; E202-M503 HydrophobicContact CB-CE 4.03Å; E202-M503 HydrophobicContact CG-CE 4.09Å; F203-M503 HydrophobicContact CB-SD 3.89Å; F203-M503 HydrophobicContact CD2-SD 4.29Å; V206-M503 HydrophobicContact CG2-CE 4.5Å; A227-M503 HydrophobicContact CB-CE 4.03Å; I231-M503 HydrophobicContact CD1-CE 3.9Å; L361-M503 HydrophobicContact CD1-CB 3.92Å; L361-M503 HydrophobicContact CD1-CG 4.28Å; L361-M503 HydrophobicContact CD2-CB 3.96Å; E499-M503 WeakPolarHBondContact O-CB 3.49Å; E499-M503 WeakPolarHBondContact O-CG 3.25Å; E499-M503 PolarHBondContact O-N 3.05Å; F501-M503 PolarHBondContact O-N 3.24Å; M503-S506 PolarHBondContact O-N 3.11Å; M503-L507 WeakPolarHBondContact O-CB 3.45Å; M503-L507 WeakPolarHBondContact O-CD1 3.36Å; M503-L507 WeakPolarHBondContact O-CG 3.5Å; M503-L507 PolarHBondContact O-N 3.08Å
504	F	98.8	Very high	97.7	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-49.6	178.7	178.5	-104.1	0	0	0	111.7	L361 C364 M368 V378 T403 T406 I407 L500 F501 S506 L507 M508	L361-F504 HydrophobicContact CD2-CB 4.44Å; C364-F504 HydrophobicContact CB-CD2 3.7Å; C364-F504 HydrophobicContact CB-CE2 3.86Å; M368-F504 HydrophobicContact CG-CE2 3.62Å; M368-F504 HydrophobicContact CG-CZ 3.92Å; M368-F504 HydrophobicContact SD-CE2 4.15Å; M368-F504 HydrophobicContact SD-CZ 3.82Å; V378-F504 HydrophobicContact CG1-CE1 3.77Å; V378-F504 HydrophobicContact CG1-CZ 4.21Å; V378-F504 HydrophobicContact CG2-CE1 4.42Å; V378-F504 HydrophobicContact CG2-CZ 4.49Å; T403-F504 HydrophobicContact CG2-CD1 4.03Å; T403-F504 HydrophobicContact CG2-CE1 3.98Å; T406-F504 HydrophobicContact CG2-CZ 4.19Å; I407-F504 HydrophobicContact CD1-CB 4.21Å; I407-F504 HydrophobicContact CD1-CD1 3.73Å; I407-F504 HydrophobicContact CD1-CE1 4.41Å; I407-F504 HydrophobicContact CD1-CG 4.17Å; I407-F504 HydrophobicContact CG1-CD1 3.73Å; I407-F504 HydrophobicContact CG1-CE1 4.03Å; I407-F504 HydrophobicContact CG1-CG 4.09Å; L500-F504 WeakPolarHBondContact O-CB 3.29Å; L500-F504 PolarHBondContact O-N 2.71Å; F501-F504 PolarHBondContact O-N 2.87Å; F504-S506 PolarHBondContact O-N 2.55Å; F504-L507 PolarHBondContact O-N 2.73Å; F504-M508 HydrophobicContact CD1-CG 4.33Å; F504-M508 HydrophobicContact CD2-CE 4.26Å; F504-M508 HydrophobicContact CD2-CG 4.23Å; F504-M508 HydrophobicContact CE1-CG 4.02Å; F504-M508 HydrophobicContact CE2-CE 4.02Å; F504-M508 HydrophobicContact CE2-CG 3.89Å; F504-M508 HydrophobicContact CE2-SD 4.27Å; F504-M508 HydrophobicContact CG-CG 4.45Å; F504-M508 HydrophobicContact CZ-CG 3.78Å; F504-M508 HydrophobicContact CZ-SD 4.43Å; F504-M508 WeakPolarHBondContact O-CG 3.26Å; F504-M508 PolarHBondContact O-N 3.34Å
505	V	98.7	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-45.1	179.1	175	0	0	0	0	110.6	I382 I386 P392 M400 T403 F501 L507 M508 Q509	I382-V505 HydrophobicContact CD1-CG1 3.95Å; I382-V505 HydrophobicContact CG1-CG1 3.98Å; I382-V505 HydrophobicContact CG2-CG1 4.5Å; I386-V505 HydrophobicContact CD1-CG1 3.62Å; P392-V505 HydrophobicContact CB-CB 4.17Å; P392-V505 HydrophobicContact CB-CG1 3.7Å; P392-V505 HydrophobicContact CG-CB 4.09Å; P392-V505 HydrophobicContact CG-CG1 3.45Å; P392-V505 VanDerWaalsContact CG-CG1 3.45Å; M400-V505 HydrophobicContact CE-CG1 4.14Å; M400-V505 HydrophobicContact CE-CG2 4.06Å; T403-V505 HydrophobicContact CG2-CG2 3.72Å; F501-V505 HydrophobicContact CD1-CG2 4.44Å; F501-V505 HydrophobicContact CD2-CG2 4.11Å; F501-V505 HydrophobicContact CE1-CG2 4.2Å; F501-V505 HydrophobicContact CE2-CG2 3.85Å; F501-V505 HydrophobicContact CG-CG2 4.4Å; F501-V505 HydrophobicContact CZ-CG2 3.9Å; F501-V505 VanDerWaalsContact O-CB 3.3Å; F501-V505 WeakPolarHBondContact O-CB 3.37Å; F501-V505 WeakPolarHBondContact O-CG2 3.43Å; F501-V505 PolarHBondContact O-N 2.85Å; V505-L507 VanDerWaalsContact C-N 3.3Å; V505-L507 PolarHBondContact O-N 2.82Å; V505-M508 PolarHBondContact O-N 2.91Å; V505-Q509 WeakPolarHBondContact O-CB 3.35Å; V505-Q509 PolarHBondContact O-N 3.18Å
506	S	98.6	Very high	97.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-38.9	179	-58	0	0	0	0	112.2	F203 L502 M503 F504 S510	F203-S506 VanDerWaalsContact CG-CB 3.5Å; F203-S506 VanDerWaalsContact CZ-C 3.42Å; F203-S506 WeakPolarHBondContact CZ-O 3.34Å; L502-S506 WeakPolarHBondContact O-CB 3.27Å; L502-S506 PolarHBondContact O-N 2.78Å; L502-S506 PolarHBondContact O-OG 3.21Å; M503-S506 PolarHBondContact O-N 3.11Å; F504-S506 PolarHBondContact O-N 2.55Å; S506-S510 WeakPolarHBondContact O-CB 3.23Å; S506-S510 PolarHBondContact O-N 3.01Å; S506-S510 VanDerWaalsContact O-N 3.12Å; S506-S510 PolarHBondContact O-OG 2.9Å
507	L	98.5	Very high	97.1	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-50.6	175.1	-73.1	162.1	0	0	0	111.4	F203 V206 M210 I224 L365 M503 F504 V505 Q509 S510 F511 F513	F203-L507 HydrophobicContact CD2-CG 4.49Å; F203-L507 HydrophobicContact CE2-CD2 3.97Å; F203-L507 HydrophobicContact CE2-CG 4.02Å; V206-L507 HydrophobicContact CG1-CD2 4.03Å; M210-L507 HydrophobicContact CE-CD2 3.82Å; M210-L507 HydrophobicContact SD-CD2 3.71Å; I224-L507 HydrophobicContact CD1-CD1 4.36Å; L365-L507 HydrophobicContact CD2-CD1 4.19Å; M503-L507 WeakPolarHBondContact O-CB 3.45Å; M503-L507 WeakPolarHBondContact O-CD1 3.36Å; M503-L507 WeakPolarHBondContact O-CG 3.5Å; M503-L507 PolarHBondContact O-N 3.08Å; F504-L507 PolarHBondContact O-N 2.73Å; V505-L507 VanDerWaalsContact C-N 3.3Å; V505-L507 PolarHBondContact O-N 2.82Å; L507-Q509 VanDerWaalsContact C-N 3.3Å; L507-Q509 PolarHBondContact O-N 3.43Å; L507-S510 PolarHBondContact O-N 3.24Å; L507-F511 PolarHBondContact O-N 3.39Å; L507-F513 HydrophobicContact CB-CE2 4Å; L507-F513 HydrophobicContact CB-CZ 4.05Å; L507-F513 HydrophobicContact CD2-CZ 3.88Å
508	M	98.4	Very high	96.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-70.5	-24.4	-179.6	-62.6	-54.7	119.5	0	0	113.4	L365 M368 Q375 V378 H379 I382 F504 V505 F513	L365-M508 HydrophobicContact CD2-CE 3.94Å; M368-M508 HydrophobicContact CB-CE 4.22Å; M368-M508 HydrophobicContact CB-SD 4.12Å; M368-M508 HydrophobicContact CG-CE 3.99Å; M368-M508 HydrophobicContact CG-SD 3.78Å; M368-M508 HydrophobicContact SD-SD 4.49Å; Q375-M508 HydrophobicContact CG-SD 3.79Å; V378-M508 HydrophobicContact CG1-CB 4.08Å; V378-M508 HydrophobicContact CG1-CG 4.05Å; H379-M508 PolarHBondContact ND1-O 2.6Å; I382-M508 HydrophobicContact CD1-CB 3.62Å; F504-M508 HydrophobicContact CD1-CG 4.33Å; F504-M508 HydrophobicContact CD2-CE 4.26Å; F504-M508 HydrophobicContact CD2-CG 4.23Å; F504-M508 HydrophobicContact CE1-CG 4.02Å; F504-M508 HydrophobicContact CE2-CE 4.02Å; F504-M508 HydrophobicContact CE2-CG 3.89Å; F504-M508 HydrophobicContact CE2-SD 4.27Å; F504-M508 HydrophobicContact CG-CG 4.45Å; F504-M508 HydrophobicContact CZ-CG 3.78Å; F504-M508 HydrophobicContact CZ-SD 4.43Å; F504-M508 WeakPolarHBondContact O-CG 3.26Å; F504-M508 PolarHBondContact O-N 3.34Å; V505-M508 PolarHBondContact O-N 2.91Å; M508-F513 HydrophobicContact CE-CD2 3.37Å; M508-F513 HydrophobicContact CE-CE2 3.36Å; M508-F513 HydrophobicContact CE-CG 4.48Å; M508-F513 HydrophobicContact CE-CZ 4.45Å; M508-F513 HydrophobicContact SD-CD2 4.04Å; M508-F513 HydrophobicContact SD-CE2 4.29Å
509	Q	98.1	Very high	95.8	Very high	17 Å²	17	28.7 Å²	28.7	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-70.9	-42.3	171.8	-173.1	-176.1	40.6	0	0	111	I382 G387 R390 V505 L507	I382-Q509 HydrophobicContact CG2-CB 3.84Å; I382-Q509 HydrophobicContact CG2-CG 3.85Å; G387-Q509 PolarHBondContact O-NE2 3.24Å; R390-Q509 PolarHBondContact O-NE2 3.2Å; V505-Q509 WeakPolarHBondContact O-CB 3.35Å; V505-Q509 PolarHBondContact O-N 3.18Å; L507-Q509 VanDerWaalsContact C-N 3.3Å; L507-Q509 PolarHBondContact O-N 3.43Å
510	S	97.2	Very high	95.2	Very high	10 Å²	10	38 Å²	38	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-89	-23.8	-172.8	-67.7	0	0	0	0	114.6	F203 K207 S506 L507 R544	F203-S510 WeakPolarHBondContact CZ-OG 3.21Å; K207-S510 PolarHBondContact NZ-OG 3.33Å; S506-S510 WeakPolarHBondContact O-CB 3.23Å; S506-S510 PolarHBondContact O-N 3.01Å; S506-S510 VanDerWaalsContact O-N 3.12Å; S506-S510 PolarHBondContact O-OG 2.9Å; L507-S510 PolarHBondContact O-N 3.24Å; S510-R544 PolarHBondContact O-N 2.78Å
511	F	97.6	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.4	-170.6	-54.4	-71.6	0	0	0	112.8	K207 M210 Q211 L507 F513 I541 S542 R543	K207-F511 HydrophobicContact CB-CE2 4.47Å; K207-F511 HydrophobicContact CG-CE2 4.1Å; K207-F511 HydrophobicContact CG-CZ 3.81Å; M210-F511 HydrophobicContact CB-CE2 4.43Å; M210-F511 HydrophobicContact CB-CZ 4.3Å; M210-F511 HydrophobicContact SD-CE2 4.31Å; Q211-F511 HydrophobicContact CG-CE1 3.94Å; Q211-F511 HydrophobicContact CG-CZ 3.91Å; L507-F511 PolarHBondContact O-N 3.39Å; F511-F513 HydrophobicContact CB-CD2 4.38Å; F511-F513 HydrophobicContact CB-CE1 4.34Å; F511-F513 HydrophobicContact CB-CE2 3.77Å; F511-F513 HydrophobicContact CB-CZ 3.76Å; F511-F513 HydrophobicContact CD2-CZ 4.06Å; F511-F513 HydrophobicContact CG-CZ 4.29Å; F511-I541 HydrophobicContact CB-CB 4.42Å; F511-I541 HydrophobicContact CD1-CB 4.16Å; F511-I541 HydrophobicContact CD1-CD1 4Å; F511-I541 HydrophobicContact CD1-CG1 4.45Å; F511-I541 HydrophobicContact CE1-CD1 3.85Å; F511-I541 HydrophobicContact CG-CB 4.45Å; F511-I541 HydrophobicContact CZ-CD1 4.42Å; F511-S542 CarbonylContact C-O 3.55Å; F511-S542 VanDerWaalsContact CA-O 3.28Å; F511-S542 WeakPolarHBondContact CA-O 3.39Å; F511-R543 HydrophobicContact CD1-CG 4.47Å; F511-R543 HydrophobicContact CE1-CG 4.36Å
512	A	97.9	Very high	94	Very high	24 Å²	24	46.9 Å²	46.9	20%	0.198	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.2	155.9	0	0	0	0	0	109.4	Q375 I541 S542 R544	Q375-A512 VanDerWaalsContact OE1-CA 3.26Å; A512-I541 CarbonylContact O-C 3.51Å; A512-I541 WeakPolarHBondContact O-CA 3.35Å; A512-S542 PolarHBondContact N-O 3.29Å; A512-S542 PolarHBondContact O-N 3.4Å; A512-R544 HydrophobicContact CB-CG 4.4Å
513	F	97.6	Very high	93.4	Very high	6 Å²	6	52 Å²	52	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.9	178.5	-62.7	-85.8	0	0	0	111	M210 L365 Q375 L507 M508 F511 I539 I541	M210-F513 HydrophobicContact SD-CE1 4.24Å; M210-F513 HydrophobicContact SD-CZ 4.39Å; L365-F513 HydrophobicContact CD2-CD1 4.04Å; L365-F513 HydrophobicContact CD2-CD2 4.08Å; L365-F513 HydrophobicContact CD2-CE1 3.8Å; L365-F513 HydrophobicContact CD2-CE2 3.87Å; L365-F513 HydrophobicContact CD2-CG 4.16Å; L365-F513 HydrophobicContact CD2-CZ 3.72Å; Q375-F513 PolarHBondContact NE2-O 3.18Å; L507-F513 HydrophobicContact CB-CE2 4Å; L507-F513 HydrophobicContact CB-CZ 4.05Å; L507-F513 HydrophobicContact CD2-CZ 3.88Å; M508-F513 HydrophobicContact CE-CD2 3.37Å; M508-F513 HydrophobicContact CE-CE2 3.36Å; M508-F513 HydrophobicContact CE-CG 4.48Å; M508-F513 HydrophobicContact CE-CZ 4.45Å; M508-F513 HydrophobicContact SD-CD2 4.04Å; M508-F513 HydrophobicContact SD-CE2 4.29Å; F511-F513 HydrophobicContact CB-CD2 4.38Å; F511-F513 HydrophobicContact CB-CE1 4.34Å; F511-F513 HydrophobicContact CB-CE2 3.77Å; F511-F513 HydrophobicContact CB-CZ 3.76Å; F511-F513 HydrophobicContact CD2-CZ 4.06Å; F511-F513 HydrophobicContact CG-CZ 4.29Å; F513-I539 HydrophobicContact CD1-CD1 3.69Å; F513-I539 HydrophobicContact CD1-CG1 4.49Å; F513-I539 HydrophobicContact CE1-CD1 4.04Å; F513-I541 HydrophobicContact CD1-CG2 3.58Å; F513-I541 HydrophobicContact CE1-CG2 3.48Å; F513-I541 VanDerWaalsContact CE1-CG2 3.48Å; F513-I541 HydrophobicContact CZ-CG2 4.43Å
514	A	96.7	Very high	93	Very high	43 Å²	43	55.2 Å²	55.2	36%	0.355	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.6	175.2	0	0	0	0	0	111.2	I539 T540	A514-I539 WeakPolarHBondContact O-CA 3.41Å; A514-T540 PolarHBondContact N-O 3.2Å; A514-T540 PolarHBondContact O-N 3.31Å; A514-T540 PolarHBondContact O-OG1 3.09Å
515	L	95.6	Very high	92.5	Very high	38 Å²	38	59 Å²	59	20%	0.199	31%	0.306	C	S	.	.			trans	-76.9	146.2	166.6	-65	-179.7	0	0	0	110.3	L366 L370 K517 P522	L366-L515 HydrophobicContact CD1-CD2 4.44Å; L370-L515 HydrophobicContact CD2-CD1 3.51Å; L370-L515 HydrophobicContact CG-CD1 4.15Å; L515-K517 PolarHBondContact O-N 3.45Å; L515-P522 HydrophobicContact CD1-CG 3.85Å; L515-P522 HydrophobicContact CD2-CG 3.86Å
516	P	93.8	Very high	92.1	Very high	20 Å²	20	59.5 Å²	59.5	13%	0.13	31%	0.311	C	S	.	.			trans	-56.5	138.8	172.3	-22.6	32.6	0	0	0	110.8	P217 D518 S519 N538 T540	P217-P516 HydrophobicContact CB-CB 4.28Å; P217-P516 HydrophobicContact CB-CG 3.71Å; P217-P516 HydrophobicContact CG-CB 3.92Å; P217-P516 HydrophobicContact CG-CG 3.89Å; P516-D518 PolarHBondContact O-N 3.4Å; P516-D518 VanDerWaalsContact O-N 3.07Å; P516-S519 WeakPolarHBondContact O-CB 3.27Å; P516-S519 PolarHBondContact O-N 3.48Å; P516-S519 PolarHBondContact O-OG 3.31Å; P516-N538 VanDerWaalsContact CD-O 3.23Å; P516-N538 WeakPolarHBondContact CD-O 3.5Å; P516-N538 HydrophobicContact CG-CB 4.1Å; P516-T540 HydrophobicContact CG-CG2 4.31Å
517	K	85.9	Confident	91.7	Very high	211 Å²	211	62.6 Å²	62.6	92%	0.917	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.4	-172	-68.9	-179.7	179.9	174.1	0	114	L515	L515-K517 PolarHBondContact O-N 3.45Å
518	D	83.3	Confident	91.3	Very high	167 Å²	167	64.2 Å²	64.2	89%	0.893	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	12.3	-177.9	-55.8	-48.2	0	0	0	113.7	P516	P516-D518 PolarHBondContact O-N 3.4Å; P516-D518 VanDerWaalsContact O-N 3.07Å
519	S	84.3	Confident	90.8	Very high	50 Å²	50	64.3 Å²	64.3	35%	0.35	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-76.2	140.2	-179.4	66	0	0	0	0	111.9	P516	P516-S519 WeakPolarHBondContact O-CB 3.27Å; P516-S519 PolarHBondContact O-N 3.48Å; P516-S519 PolarHBondContact O-OG 3.31Å
520	K	84.8	Confident	90.6	Very high	196 Å²	196	65.2 Å²	65.2	85%	0.852	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.4	142.8	166.7	-68	-177.9	-179.4	178.4	0	108.8	P522	K520-P522 WeakPolarHBondContact O-CD 3.45Å; K520-P522 VanDerWaalsContact O-N 3.14Å
521	K	83.7	Confident	90.5	Very high	168 Å²	168	65.3 Å²	65.3	73%	0.73	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-51.3	122.1	174.6	-171.1	172.5	-177.5	174.1	0	109.6
522	P	87.3	Confident	90.4	Very high	25 Å²	25	65.6 Å²	65.6	16%	0.162	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-58.4	146.8	-179.9	-27.5	35.3	0	0	0	112.5	L366 L515 K520 L524	L366-P522 HydrophobicContact CD1-CB 3.8Å; L366-P522 HydrophobicContact CD1-CG 3.8Å; L366-P522 HydrophobicContact CD2-CB 4.5Å; L515-P522 HydrophobicContact CD1-CG 3.85Å; L515-P522 HydrophobicContact CD2-CG 3.86Å; K520-P522 WeakPolarHBondContact O-CD 3.45Å; K520-P522 VanDerWaalsContact O-N 3.14Å; P522-L524 PolarHBondContact O-N 3.31Å
523	L	86.8	Confident	90.2	Very high	109 Å²	109	64.7 Å²	64.7	57%	0.571	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-77.9	119.9	174.5	-65.8	176.2	0	0	0	110.1	T525 H535	L523-T525 VanDerWaalsContact C-N 3.31Å; L523-H535 PolarHBondContact O-CD2 3.02Å
524	L	89.8	Confident	90.1	Very high	71 Å²	71	64.4 Å²	64.4	37%	0.372	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	3.9	179.3	-57.8	-177.9	0	0	0	113.8	W363 L366 L370 P522 G526	W363-L524 HydrophobicContact CZ3-CD2 4.08Å; L366-L524 HydrophobicContact CD2-CD2 3.9Å; L366-L524 HydrophobicContact CG-CD2 4.27Å; L370-L524 HydrophobicContact CD1-CD1 4.47Å; L370-L524 HydrophobicContact CD1-CD2 3.75Å; P522-L524 PolarHBondContact O-N 3.31Å; L524-G526 VanDerWaalsContact C-N 3.26Å; L524-G526 PolarHBondContact O-N 2.97Å
525	T	87.7	Confident	90	Very high	80 Å²	80	64.9 Å²	64.9	49%	0.491	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.6	179.5	51.4	0	0	0	0	113.3	L523 H535	L523-T525 VanDerWaalsContact C-N 3.31Å; T525-H535 PolarHBondContact OG1-NE2 3.12Å
526	G	90.3	Very high	89.9	Confident	10 Å²	10	67.6 Å²	67.6	10%	0.103	34%	0.343	C	S	.	.			trans	69.6	163.2	-176.3	0	0	0	0	0	114.1	L524 A533 H535	L524-G526 VanDerWaalsContact C-N 3.26Å; L524-G526 PolarHBondContact O-N 2.97Å; G526-A533 CarbonylContact C-O 3.59Å; G526-A533 WeakPolarHBondContact CA-O 3.37Å; G526-H535 PolarHBondContact O-NE2 3.11Å; G526-H535 VanDerWaalsContact O-NE2 3.15Å
527	R	90.7	Very high	89.9	Confident	66 Å²	66	67.1 Å²	67.1	25%	0.249	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.9	166.9	-64	-173	-62	130.8	-3.1	107.9	E260 A533 P534 H535	E260-R527 IonicContact OE2-CZ 3.53Å; E260-R527 IonicContact OE2-NH1 3.56Å; E260-R527 PolarHBondContact OE2-NH1 3.2Å; R527-A533 PolarHBondContact N-O 3.49Å; R527-A533 PolarHBondContact O-N 3.36Å; R527-P534 PolarHBondContact NE-O 2.81Å; R527-H535 WeakPolarHBondContact CG-ND1 3.44Å
528	F	88.9	Confident	90.4	Very high	37 Å²	37	60.9 Å²	60.9	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121	-177.4	-178.6	-90.7	0	0	0	111.4	P103 Q104 L263 P418 L419 L532	P103-F528 HydrophobicContact CB-CD1 4.4Å; P103-F528 HydrophobicContact CB-CE1 3.84Å; P103-F528 HydrophobicContact CB-CZ 3.92Å; P103-F528 VanDerWaalsContact CD-CD1 3.43Å; P103-F528 HydrophobicContact CG-CD1 3.64Å; P103-F528 HydrophobicContact CG-CE1 3.47Å; P103-F528 VanDerWaalsContact CG-CE1 3.47Å; P103-F528 HydrophobicContact CG-CG 4.36Å; P103-F528 HydrophobicContact CG-CZ 4.06Å; Q104-F528 HydrophobicContact CB-CE2 4.15Å; Q104-F528 VanDerWaalsContact CD-CD2 3.46Å; Q104-F528 HydrophobicContact CG-CE2 4.41Å; L263-F528 HydrophobicContact CB-CE1 4.26Å; L263-F528 HydrophobicContact CD1-CD1 4.3Å; L263-F528 HydrophobicContact CD1-CE1 3.41Å; L263-F528 VanDerWaalsContact CD1-CE1 3.41Å; L263-F528 HydrophobicContact CD1-CZ 3.79Å; L263-F528 HydrophobicContact CG-CE1 4.49Å; P418-F528 HydrophobicContact CG-CD2 4.01Å; P418-F528 HydrophobicContact CG-CE2 3.63Å; L419-F528 HydrophobicContact CD1-CE2 4.36Å; L419-F528 HydrophobicContact CD1-CZ 3.81Å; L419-F528 HydrophobicContact CG-CE2 4.38Å; L419-F528 HydrophobicContact CG-CZ 4.26Å; F528-L532 HydrophobicContact CB-CD1 4.32Å; F528-L532 HydrophobicContact CD2-CD1 4.42Å
529	G	89.9	Confident	91	Very high	3 Å²	3	52.9 Å²	52.9	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-130.6	-149.2	161.5	0	0	0	0	0	109.5	L259 L263 T531	L259-G529 WeakPolarHBondContact O-CA 3.49Å; L263-G529 VanDerWaalsContact CD1-O 3.24Å; L263-G529 WeakPolarHBondContact CD1-O 3.42Å; G529-T531 CarbonylContact C-O 3.25Å; G529-T531 WeakPolarHBondContact CA-O 3.11Å; G529-T531 PolarHBondContact N-O 3.37Å; G529-T531 PolarHBondContact O-N 2.89Å
530	L	92	Very high	91.6	Very high	36 Å²	36	51.9 Å²	51.9	19%	0.188	27%	0.265	C	S	.	.	S	Bend	trans	-57	-33	166.3	-166.7	67.1	0	0	0	111.1	L259 I421	L259-L530 HydrophobicContact CB-CB 4.33Å; L259-L530 HydrophobicContact CD2-CB 4.05Å; L259-L530 HydrophobicContact CD2-CD2 3.72Å; L259-L530 PolarHBondContact O-N 3.33Å; I421-L530 HydrophobicContact CD1-CD1 3.86Å; I421-L530 HydrophobicContact CD1-CD2 3.83Å; I421-L530 HydrophobicContact CD1-CG 3.91Å
531	T	95.7	Very high	92.2	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	23%	0.226	C	C	.	.	S	Bend	trans	-109.6	160.2	170.3	54.8	0	0	0	0	111.4	L259 D355 T356 V416 V417 G529	L259-T531 HydrophobicContact CD1-CG2 4.36Å; D355-T531 VanDerWaalsContact OD2-CB 3.29Å; D355-T531 WeakPolarHBondContact OD2-CB 3.19Å; D355-T531 VanDerWaalsContact OD2-CG2 3.29Å; D355-T531 WeakPolarHBondContact OD2-CG2 3.23Å; D355-T531 PolarHBondContact OD2-OG1 3.08Å; T356-T531 HydrophobicContact CG2-CG2 4.07Å; V416-T531 CarbonylContact O-C 3.41Å; V416-T531 WeakPolarHBondContact O-CA 3.44Å; V416-T531 WeakPolarHBondContact O-CB 3.35Å; V417-T531 HydrophobicContact CG2-CG2 4.36Å; G529-T531 CarbonylContact C-O 3.25Å; G529-T531 WeakPolarHBondContact CA-O 3.11Å; G529-T531 PolarHBondContact N-O 3.37Å; G529-T531 PolarHBondContact O-N 2.89Å
532	L	95	Very high	92.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	96.4	173.4	-169.8	71.4	0	0	0	110.4	W363 T414 V416 P418 F528	W363-L532 HydrophobicContact CZ2-CD2 4.35Å; W363-L532 HydrophobicContact CZ2-CG 4.33Å; W363-L532 PolarHBondContact NE1-O 3.21Å; T414-L532 WeakPolarHBondContact O-CD2 3.43Å; V416-L532 PolarHBondContact O-N 3.19Å; P418-L532 HydrophobicContact CG-CB 4.28Å; F528-L532 HydrophobicContact CB-CD1 4.32Å; F528-L532 HydrophobicContact CD2-CD1 4.42Å
533	A	95	Very high	93.1	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	148.4	174.6	0	0	0	0	0	110.9	N359 G526 R527	N359-A533 WeakPolarHBondContact OD1-CA 3.48Å; N359-A533 WeakPolarHBondContact OD1-CB 3.35Å; G526-A533 CarbonylContact C-O 3.59Å; G526-A533 WeakPolarHBondContact CA-O 3.37Å; R527-A533 PolarHBondContact N-O 3.49Å; R527-A533 PolarHBondContact O-N 3.36Å
534	P	95.4	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-63.3	156.3	165.8	20.8	-22.6	0	0	0	110.9	F221 L362 W363 L366 R527 F537	F221-P534 HydrophobicContact CE1-CG 4.39Å; F221-P534 HydrophobicContact CZ-CB 4.3Å; F221-P534 HydrophobicContact CZ-CG 3.78Å; F221-P534 WeakPolarHBondContact CZ-O 3.41Å; L362-P534 HydrophobicContact CB-CG 3.65Å; L362-P534 HydrophobicContact CD1-CG 4.48Å; W363-P534 HydrophobicContact CD2-CB 4.03Å; W363-P534 HydrophobicContact CD2-CG 4.24Å; W363-P534 HydrophobicContact CE3-CB 4.16Å; W363-P534 HydrophobicContact CG-CG 4.43Å; W363-P534 HydrophobicContact CH2-CB 4.09Å; W363-P534 HydrophobicContact CZ2-CB 3.96Å; W363-P534 HydrophobicContact CZ3-CB 4.19Å; L366-P534 HydrophobicContact CD2-CB 4.14Å; R527-P534 PolarHBondContact NE-O 2.81Å; P534-F537 HydrophobicContact CB-CD1 4.28Å; P534-F537 HydrophobicContact CB-CE1 4.07Å; P534-F537 HydrophobicContact CG-CE1 4Å
535	H	93.8	Very high	93.5	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.25	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.5	148.5	164.4	-72	-76.5	0	0	0	109	L523 T525 G526 R527 F537	L523-H535 PolarHBondContact O-CD2 3.02Å; T525-H535 PolarHBondContact OG1-NE2 3.12Å; G526-H535 PolarHBondContact O-NE2 3.11Å; G526-H535 VanDerWaalsContact O-NE2 3.15Å; R527-H535 WeakPolarHBondContact CG-ND1 3.44Å; H535-F537 WeakPolarHBondContact O-CD1 3.5Å; H535-F537 PolarHBondContact O-N 3.15Å
536	P	93	Very high	93.8	Very high	94 Å²	94	42.2 Å²	42.2	61%	0.61	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-51.1	129.8	174.8	-26.7	35.1	0	0	0	111.3
537	F	94.9	Very high	94	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	21%	0.214	C	C	.	.			trans	-139.2	150.7	179.6	66.3	-85.1	0	0	0	109.4	P220 F221 L362 L365 L366 P534 H535 I539	P220-F537 WeakPolarHBondContact CD-O 3.37Å; P220-F537 HydrophobicContact CG-CE2 3.89Å; P220-F537 HydrophobicContact CG-CZ 3.82Å; F221-F537 AromaticContact CE2-CD1 3.74Å; F221-F537 HydrophobicContact CE2-CD1 3.74Å; F221-F537 AromaticContact CE2-CE1 3.71Å; F221-F537 HydrophobicContact CE2-CE1 3.71Å; F221-F537 HydrophobicContact CZ-CD1 4.4Å; F221-F537 HydrophobicContact CZ-CE1 4.32Å; L362-F537 HydrophobicContact CB-CE1 4.45Å; L362-F537 WeakPolarHBondContact O-CZ 3.35Å; L365-F537 HydrophobicContact CB-CZ 4.41Å; L366-F537 HydrophobicContact CB-CE1 4.02Å; L366-F537 HydrophobicContact CB-CE2 4.02Å; L366-F537 HydrophobicContact CB-CZ 3.76Å; L366-F537 HydrophobicContact CD1-CD1 4.4Å; L366-F537 HydrophobicContact CD1-CD2 3.98Å; L366-F537 HydrophobicContact CD1-CE2 4.26Å; L366-F537 HydrophobicContact CD1-CG 4.07Å; L366-F537 HydrophobicContact CD2-CD1 4.25Å; L366-F537 HydrophobicContact CD2-CE1 4.36Å; P534-F537 HydrophobicContact CB-CD1 4.28Å; P534-F537 HydrophobicContact CB-CE1 4.07Å; P534-F537 HydrophobicContact CG-CE1 4Å; H535-F537 WeakPolarHBondContact O-CD1 3.5Å; H535-F537 PolarHBondContact O-N 3.15Å; F537-I539 HydrophobicContact CD2-CG2 3.57Å; F537-I539 HydrophobicContact CE2-CG2 3.45Å; F537-I539 VanDerWaalsContact CE2-CG2 3.45Å
538	N	95.9	Very high	94.2	Very high	79 Å²	79	42.6 Å²	42.6	42%	0.422	21%	0.212	S	C	.	.			trans	-102.4	147.9	171.8	-69.2	-16.2	0	0	0	109.7	P217 F218 C219 P516	P217-N538 HydrophobicContact CB-CB 4.19Å; F218-N538 CarbonylContact O-C 2.93Å; F218-N538 VanDerWaalsContact O-CA 3.23Å; F218-N538 WeakPolarHBondContact O-CA 3.35Å; C219-N538 PolarHBondContact N-OD1 2.82Å; P516-N538 VanDerWaalsContact CD-O 3.23Å; P516-N538 WeakPolarHBondContact CD-O 3.5Å; P516-N538 HydrophobicContact CG-CB 4.1Å
539	I	96.3	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-129.5	157.1	173.2	60.5	-171.9	0	0	0	109.6	P217 F218 P220 L365 F513 A514 F537	P217-I539 WeakPolarHBondContact CA-O 3.42Å; F218-I539 HydrophobicContact CE1-CG1 4.28Å; F218-I539 HydrophobicContact CE2-CG1 4.37Å; F218-I539 HydrophobicContact CZ-CD1 4.28Å; F218-I539 HydrophobicContact CZ-CG1 4.08Å; F218-I539 PolarHBondContact N-O 3.33Å; F218-I539 PolarHBondContact O-N 3.15Å; P220-I539 HydrophobicContact CB-CD1 3.92Å; P220-I539 HydrophobicContact CG-CD1 3.89Å; P220-I539 HydrophobicContact CG-CG1 4.43Å; L365-I539 HydrophobicContact CD1-CD1 4.33Å; F513-I539 HydrophobicContact CD1-CD1 3.69Å; F513-I539 HydrophobicContact CD1-CG1 4.49Å; F513-I539 HydrophobicContact CE1-CD1 4.04Å; A514-I539 WeakPolarHBondContact O-CA 3.41Å; F537-I539 HydrophobicContact CD2-CG2 3.57Å; F537-I539 HydrophobicContact CE2-CG2 3.45Å; F537-I539 VanDerWaalsContact CE2-CG2 3.45Å
540	T	97	Very high	94.8	Very high	28 Å²	28	45.7 Å²	45.7	17%	0.172	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.7	165.5	55.8	0	0	0	0	108.8	E215 P217 A514 P516	E215-T540 WeakPolarHBondContact O-CG2 3.49Å; P217-T540 HydrophobicContact CB-CG2 4.34Å; P217-T540 HydrophobicContact CG-CG2 3.86Å; A514-T540 PolarHBondContact N-O 3.2Å; A514-T540 PolarHBondContact O-N 3.31Å; A514-T540 PolarHBondContact O-OG1 3.09Å; P516-T540 HydrophobicContact CG-CG2 4.31Å
541	I	97	Very high	95	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.7	176.2	62.4	179	0	0	0	110.6	M210 G214 F218 F511 A512 F513	M210-I541 HydrophobicContact CB-CD1 3.92Å; M210-I541 VanDerWaalsContact O-CD1 3.25Å; M210-I541 WeakPolarHBondContact O-CD1 3.25Å; G214-I541 WeakPolarHBondContact O-CG1 3.45Å; F218-I541 HydrophobicContact CE1-CD1 4.28Å; F218-I541 HydrophobicContact CE1-CG1 4.31Å; F218-I541 HydrophobicContact CE1-CG2 3.89Å; F218-I541 HydrophobicContact CZ-CG2 4.04Å; F511-I541 HydrophobicContact CB-CB 4.42Å; F511-I541 HydrophobicContact CD1-CB 4.16Å; F511-I541 HydrophobicContact CD1-CD1 4Å; F511-I541 HydrophobicContact CD1-CG1 4.45Å; F511-I541 HydrophobicContact CE1-CD1 3.85Å; F511-I541 HydrophobicContact CG-CB 4.45Å; F511-I541 HydrophobicContact CZ-CD1 4.42Å; A512-I541 CarbonylContact O-C 3.51Å; A512-I541 WeakPolarHBondContact O-CA 3.35Å; F513-I541 HydrophobicContact CD1-CG2 3.58Å; F513-I541 HydrophobicContact CE1-CG2 3.48Å; F513-I541 VanDerWaalsContact CE1-CG2 3.48Å; F513-I541 HydrophobicContact CZ-CG2 4.43Å
542	S	96	Very high	95	Very high	63 Å²	63	49.1 Å²	49.1	44%	0.441	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.6	164.8	-55.2	0	0	0	0	108.1	F511 A512	F511-S542 CarbonylContact C-O 3.55Å; F511-S542 VanDerWaalsContact CA-O 3.28Å; F511-S542 WeakPolarHBondContact CA-O 3.39Å; A512-S542 PolarHBondContact N-O 3.29Å; A512-S542 PolarHBondContact O-N 3.4Å
543	R	93.9	Very high	95	Very high	169 Å²	169	52.7 Å²	52.7	64%	0.638	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.5	-179.7	-63.3	-179.5	-175.6	-176.4	1.1	110	F511	F511-R543 HydrophobicContact CD1-CG 4.47Å; F511-R543 HydrophobicContact CE1-CG 4.36Å
544	R	91.4	Very high	95	Very high	122 Å²	122	57 Å²	57	46%	0.46	28%	0.28	S	S	.	.			trans	-108.2	0	169.7	-64.7	-169.4	178.7	-110.4	2.5	110.5	E376 H379 S510 A512	E376-R544 IonicContact OE1-NH1 3.86Å; E376-R544 PolarHBondContact OE1-NH1 3.28Å; E376-R544 IonicContact OE2-CZ 3.46Å; E376-R544 VanDerWaalsContact OE2-CZ 3.29Å; E376-R544 IonicContact OE2-NH1 3.26Å; E376-R544 PolarHBondContact OE2-NH1 2.96Å; E376-R544 IonicContact OE2-NH2 2.99Å; E376-R544 PolarHBondContact OE2-NH2 3.23Å; H379-R544 PolarHBondContact CD2-NH1 2.99Å; H379-R544 WeakPolarHBondContact CE1-CD 3.41Å; H379-R544 VanDerWaalsContact ND1-CD 3.26Å; H379-R544 WeakPolarHBondContact ND1-CD 3.41Å; S510-R544 PolarHBondContact O-N 2.78Å; A512-R544 HydrophobicContact CB-CG 4.4Å

Retrieved 544 of 544 residues in 131.1 ms (Link to these results)

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