A0A087YDD7_POEFO Loading...

Voltage-dependent calcium channel protein TPC1

Intracellular channel initially characterized as a non-selective Ca(2+)-permeable channel activated by NAADP (nicotinic acid adenine dinucleotide phosphate), it is also a voltage-gated highly-selective Na(+) channel activated directly by PI(3,5)P2 (phosphatidylinositol 3,5-bisphosphate) that senses pH changes and confers electrical excitability to organelles. Localizes to the early and recycling endosomes membranes where it plays a role in the uptake and processing of proteins and regulates organellar membrane excitability, membrane trafficking and pH homeostasis. Ion selectivity is not fixed but rather agonist-dependent and under defined ionic conditions, can be readily activated by both NAADP and PI(3,5)P2. Required for mTOR-dependent nutrient sensing.

AlphaFold DB , UniProt , Accession A0A087YDD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 826 aa.

						>A0A087YDD7_POEFO|A0A087YDD7
MESDDDVPLILTWDEANSGLLNEEETERGDQNGGGNYDLVNNAVISTPGAQSNKTQNVSLKQSWEMNYQEAAIYLQEGENNDKFFSHPRNPKALAAYLFAHNHLFYMMELVTGLLLLMLSLCEAPAVPSLRLDVYVHATLELLALLLVGFELCMKLRWLGFRTFIRHKRTMVKASVLLLQFVEAIVVLIRQTSHMRVTRALRPIFLVDCRYCGAVRRNLRQLFQSLPSFIDILLLLLFFMVIFAILGFCLFSTNTADPYFSSLENSLVSLFVLLTTANFPDVMMPAYSKNRWSCVFFIVYLSIELYFIMNLLLAVVFDTFNDVEKMKFKSLLLHKRSAIDHAFQLLVSRQRPMGVSLKQFDGLMRFYRPRMSARDRFLTFKALNTSGAPTLSLQDFYRFYEVIGLKWKPRRSREHWFDDLPHTAFLIFKGIHLVVKSKAFQYAMYVVVAINGVWILVETFRMNSGYSWSEFVPVSYIVFLTIYGVEVLLKIAGLGPLAYFSSGWNLFDFSVTVFAFLGLVALAFKMEPFYFIVVLRPFQLLRLFKIKLRYRNVLDTMFELFPRMASLGLTLLIFYYSFAIVGMEFFADVVFPNCCNTSTVADSYRQINKTFGNKTVLDEGYYYLNNFNDILSSFVTLFELTVVNNWYITMEGVTSMTSHWSRLYFMTFYIVTMVVMTIIVAFILDAFVFRMNYSRKNRDPVDNPEDENGIVFDVEVRRDEAMATLELYKQTSPTMSSLSSLAAVLQAMDKSGHTFLVYLGRRSRTKSDLSMKMYEEEIQEWYAEYSRECLSQEDENLNLDQDSPVSNLAPIQEHQLNSQSERQSIN
					

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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	30	Very low	26.8	Very low	245 Å²	245	149 Å²	149	100%	1.207	80%	0.804	S	S	*	*				0	78.1	0	-158.6	174.2	-165.8	0	0	105.4
2	E	23.1	Very low	26.8	Very low	200 Å²	200	145.6 Å²	145.6	94%	0.935	79%	0.792	S	S	*	*			trans	-177.5	119.4	168.4	-108.3	169.2	-176	0	0	102.9
3	S	24.9	Very low	27.4	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	80%	0.795	S	S	*	*			trans	-106.1	111.5	-166.3	45.1	0	0	0	0	108.8
4	D	23.7	Very low	27.6	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	79%	0.788	S	S	*	*			trans	-91.4	106.2	167.8	-86.8	-28	0	0	0	109.1
5	D	27	Very low	27.6	Very low	143 Å²	143	152.3 Å²	152.3	77%	0.765	79%	0.794	S	S	*	*			trans	-88.5	94	169.3	-84.7	-35.4	0	0	0	109.5	V7	D5-V7 PolarHBondContact O-N 3.35Å
6	D	24.1	Very low	27.6	Very low	166 Å²	166	147.6 Å²	147.6	89%	0.888	79%	0.785	S	S	*	*			trans	-92.3	81.8	164.7	-97.2	-26	0	0	0	109.8
7	V	26.3	Very low	27.6	Very low	108 Å²	108	148.7 Å²	148.7	66%	0.655	79%	0.791	S	S	*	*			trans	-77.5	128.1	170.4	178.7	0	0	0	0	109.2	D5 L9	D5-V7 PolarHBondContact O-N 3.35Å; V7-L9 PolarHBondContact O-N 3.41Å
8	P	26.6	Very low	27.7	Very low	110 Å²	110	147.2 Å²	147.2	71%	0.714	79%	0.794	S	S	*	*			trans	-71.4	102.2	173.4	27.6	-30.3	0	0	0	109.7	I10	P8-I10 PolarHBondContact O-N 3.23Å
9	L	26.1	Very low	27.8	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	79%	0.789	S	S	*	*			trans	-47.5	95	172.8	-110.6	102.5	0	0	0	112.2	V7	V7-L9 PolarHBondContact O-N 3.41Å
10	I	31.3	Very low	27.8	Very low	135 Å²	135	143.1 Å²	143.1	69%	0.692	79%	0.787	S	S	*	*			trans	-141	90.5	155.7	-59.1	-179.5	0	0	0	106.3	P8	P8-I10 PolarHBondContact O-N 3.23Å
11	L	31.5	Very low	27.9	Very low	112 Å²	112	144 Å²	144	59%	0.586	79%	0.791	S	S	*	*			trans	150.4	76.3	154.6	-84.1	163.4	0	0	0	107.3
12	T	26.8	Very low	27.9	Very low	108 Å²	108	139.9 Å²	139.9	66%	0.663	77%	0.774	S	S	*	*			trans	-127.2	115.6	152.8	51.3	0	0	0	0	106.3	D14	T12-D14 VanDerWaalsContact C-N 3.3Å
13	W	35.4	Very low	28.1	Very low	219 Å²	219	139.9 Å²	139.9	83%	0.83	77%	0.774	S	S	*	*			trans	-87.9	0.1	173.7	-111.2	69.4	0	0	0	112.1
14	D	29.2	Very low	28.2	Very low	130 Å²	130	144 Å²	144	70%	0.695	78%	0.781	S	S	*	*			trans	-107.9	106	-179.3	-69.7	-40.5	0	0	0	112	T12	T12-D14 VanDerWaalsContact C-N 3.3Å
15	E	27.8	Very low	28.4	Very low	188 Å²	188	145 Å²	145	88%	0.879	78%	0.78	S	S	*	*	S	Bend	trans	167.5	68.1	143	-94.9	-178	172.5	0	0	108.1
16	A	27.5	Very low	28.4	Very low	78 Å²	78	145 Å²	145	65%	0.645	79%	0.786	S	S	*	*	S	Bend	trans	-156.6	3.3	165.2	0	0	0	0	0	114.9
17	N	28.1	Very low	28.6	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	79%	0.789	S	S	*	*	S	Bend	trans	-97.6	4.5	179.5	-107.1	7.3	0	0	0	114.8
18	S	28.7	Very low	28.6	Very low	122 Å²	122	153.7 Å²	153.7	85%	0.853	80%	0.803	S	S	*	*	S	Bend	trans	-101.6	22.7	-179.9	57.2	0	0	0	0	114.8
19	G	29.6	Very low	28.6	Very low	68 Å²	68	151.9 Å²	151.9	70%	0.701	80%	0.804	S	S	*	*	S	Bend	trans	-141	13.3	-175.7	0	0	0	0	0	117.1
20	L	28.3	Very low	28.6	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	80%	0.801	S	S	*	*			trans	-122.5	27.5	-177.2	-90.8	162.6	0	0	0	114
21	L	30.2	Very low	28.5	Very low	164 Å²	164	152.2 Å²	152.2	86%	0.859	80%	0.803	S	S	*	*	S	Bend	trans	-122	65.1	168	-73.4	174.6	0	0	0	110
22	N	29.6	Very low	28.3	Very low	158 Å²	158	154 Å²	154	85%	0.845	81%	0.813	S	S	*	*	S	Bend	trans	173.2	95	155.3	-87.1	-20.6	0	0	0	108.3
23	E	27.6	Very low	28.3	Very low	200 Å²	200	152.8 Å²	152.8	94%	0.935	82%	0.822	S	S	*	*			trans	179.6	70.8	149.8	-102.4	173.2	-164.8	0	0	109.2
24	E	27.1	Very low	27.8	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	83%	0.825	S	S	*	*			trans	-131.4	95.5	153.9	-85.4	-168.3	167.9	0	0	107.2
25	E	27.7	Very low	27.6	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	83%	0.833	S	S	*	*			trans	-175.9	95.9	154.6	-109.3	-178.4	-163.6	0	0	109.7
26	T	27.3	Very low	27.4	Very low	143 Å²	143	141.4 Å²	141.4	88%	0.877	82%	0.824	S	S	*	*				179.1	102.4	126.4	10.6	0	0	0	0	110
27	E	27.3	Very low	27.3	Very low	203 Å²	203	148.5 Å²	148.5	95%	0.949	84%	0.836	S	S	*	*			trans	-157.9	122	134.6	-111.7	176	-165.1	0	0	109.3
28	R	27.6	Very low	27.3	Very low	253 Å²	253	147.1 Å²	147.1	96%	0.955	83%	0.828	S	S	*	*			trans	-108.1	135.4	-172.8	-148.8	-174.6	-157.1	-178.9	6.3	107.5
29	G	25.1	Very low	27.3	Very low	71 Å²	71	149.6 Å²	149.6	73%	0.732	83%	0.831	S	S	*	*			trans	174.4	71.3	171.7	0	0	0	0	0	115.3
30	D	28	Very low	27.3	Very low	133 Å²	133	152.1 Å²	152.1	71%	0.711	83%	0.832	S	S	*	*			trans	47.4	114.6	137.1	-81.9	17.9	0	0	0	122
31	Q	28	Very low	27.2	Very low	155 Å²	155	151.7 Å²	151.7	72%	0.724	83%	0.831	S	S	*	*				150.9	125.9	87.8	-104.2	168.4	43.4	0	0	114.5
32	N	28.1	Very low	27	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	83%	0.827	S	S	*	*			trans	71.2	115.2	142	-71.3	-15.7	0	0	0	124.4
33	G	26.9	Very low	27	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	82%	0.824	S	S	*	*				87.9	116.8	128.3	0	0	0	0	0	115.8
34	G	24.5	Very low	27	Very low	87 Å²	87	144.9 Å²	144.9	90%	0.897	82%	0.819	S	S	*	*			cis	116.9	120	33.3	0	0	0	0	0	107.9
35	G	24.6	Very low	27.2	Very low	85 Å²	85	143.2 Å²	143.2	88%	0.876	82%	0.815	S	S	*	*			trans	153.9	78.2	171.9	0	0	0	0	0	115.2
36	N	23.3	Very low	27	Very low	127 Å²	127	139 Å²	139	68%	0.679	81%	0.807	S	S	*	*			trans	-81.4	148.1	156.5	-163.7	19.2	0	0	0	108.5
37	Y	26.9	Very low	27.4	Very low	227 Å²	227	138.2 Å²	138.2	89%	0.89	80%	0.802	S	S	*	*			trans	177.1	128.1	135.3	-84	-58	0	0	0	111.3
38	D	28	Very low	27.7	Very low	137 Å²	137	134.5 Å²	134.5	73%	0.733	80%	0.795	S	S	*	*			trans	-62.2	154	171	-63.3	-58.8	0	0	0	113.8
39	L	27.6	Very low	27.7	Very low	173 Å²	173	125.5 Å²	125.5	91%	0.906	78%	0.781	S	S	*	*				-169.8	144.3	127.1	-117.4	124.7	0	0	0	113.7
40	V	29.8	Very low	28.1	Very low	121 Å²	121	127.2 Å²	127.2	73%	0.733	79%	0.788	S	S	*	*			trans	-71.6	134.6	-176.6	172.3	0	0	0	0	113.2
41	N	26	Very low	28.3	Very low	135 Å²	135	129.7 Å²	129.7	72%	0.722	80%	0.796	S	S	*	*				175.6	129.4	127.6	-101.3	-26.4	0	0	0	115.5
42	N	27.1	Very low	28.7	Very low	146 Å²	146	124.9 Å²	124.9	78%	0.781	78%	0.779	S	S	*	*			trans	40.8	114.3	138.5	-67.7	-20.7	0	0	0	123
43	A	28.9	Very low	29.3	Very low	93 Å²	93	123.6 Å²	123.6	77%	0.769	77%	0.772	S	S	*	*				57	113	129.3	0	0	0	0	0	120.3
44	V	27.1	Very low	29.9	Very low	139 Å²	139	128 Å²	128	84%	0.842	77%	0.768	S	S	*	*				-148.4	122	114.5	173.8	0	0	0	0	108.5	S46	V44-S46 PolarHBondContact O-N 2.97Å
45	I	30.7	Very low	30.6	Very low	158 Å²	158	128.4 Å²	128.4	81%	0.81	75%	0.754	S	S	*	*			trans	-62	117.9	166.4	-66.9	165	0	0	0	108.2
46	S	23.6	Very low	31.5	Very low	102 Å²	102	130.1 Å²	130.1	71%	0.713	74%	0.739	S	S	*	*			trans	-120.9	112.7	149.9	50.5	0	0	0	0	107.3	V44 P48	V44-S46 PolarHBondContact O-N 2.97Å; S46-P48 VanDerWaalsContact O-CD 3.31Å; S46-P48 WeakPolarHBondContact O-CD 3.43Å
47	T	35.9	Very low	32.9	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	73%	0.734	S	S	*	*			trans	-54.5	120.6	172.6	32.2	0	0	0	0	110.4	G49	T47-G49 PolarHBondContact O-N 2.98Å
48	P	34.6	Very low	34.3	Very low	125 Å²	125	122.2 Å²	122.2	81%	0.812	72%	0.715	S	S	*	*			trans	-82.6	111.2	159	2.7	16.8	0	0	0	106.9	S46	S46-P48 VanDerWaalsContact O-CD 3.31Å; S46-P48 WeakPolarHBondContact O-CD 3.43Å
49	G	27.4	Very low	35.8	Very low	64 Å²	64	118.8 Å²	118.8	66%	0.66	70%	0.702	S	S	*	*			trans	-56.2	158.7	171.9	0	0	0	0	0	112.8	T47 Q51	T47-G49 PolarHBondContact O-N 2.98Å; G49-Q51 PolarHBondContact O-N 3Å
50	A	33	Very low	37.5	Very low	107 Å²	107	114.8 Å²	114.8	88%	0.884	68%	0.681	S	S	*	*			trans	-27.7	102.2	-179.6	0	0	0	0	0	115.2	S52	A50-S52 VanDerWaalsContact C-N 3.28Å; A50-S52 PolarHBondContact O-N 3.16Å
51	Q	33.3	Very low	39.2	Very low	184 Å²	184	115.1 Å²	115.1	86%	0.86	67%	0.672	S	S	*	*			trans	-67.6	91.2	157.6	-80.7	-177.1	-15.6	0	0	109	G49 N53	G49-Q51 PolarHBondContact O-N 3Å; Q51-N53 PolarHBondContact O-N 3.49Å
52	S	36.4	Very low	41.4	Very low	54 Å²	54	114.4 Å²	114.4	38%	0.378	67%	0.665	S	S	.	*			trans	26.6	93	147	175.5	0	0	0	0	117.4	A50 K54 T55	A50-S52 VanDerWaalsContact C-N 3.28Å; A50-S52 PolarHBondContact O-N 3.16Å; S52-K54 PolarHBondContact O-N 2.97Å; S52-K54 PolarHBondContact OG-N 3.48Å; S52-T55 WeakPolarHBondContact CB-OG1 3.14Å; S52-T55 PolarHBondContact O-N 3.44Å; S52-T55 VanDerWaalsContact O-N 3.09Å; S52-T55 PolarHBondContact OG-N 3.2Å; S52-T55 PolarHBondContact OG-OG1 2.87Å
53	N	39.6	Very low	43.9	Very low	125 Å²	125	110.4 Å²	110.4	67%	0.668	65%	0.648	S	S	*	*	H	α-helix	trans	-52.1	-18.1	162.3	-79	-15.6	0	0	0	113.5	Q51 N57	Q51-N53 PolarHBondContact O-N 3.49Å; N53-N57 WeakPolarHBondContact O-CB 3.19Å; N53-N57 VanDerWaalsContact O-CG 3.26Å; N53-N57 PolarHBondContact O-N 3.33Å; N53-N57 PolarHBondContact O-ND2 2.96Å
54	K	40.8	Very low	46.5	Very low	172 Å²	172	109.3 Å²	109.3	75%	0.748	62%	0.624	S	S	*	*	H	α-helix	trans	-72.7	-39.5	176.8	-89.8	-178.7	175.4	176.9	0	112.5	S52 V58	S52-K54 PolarHBondContact O-N 2.97Å; S52-K54 PolarHBondContact OG-N 3.48Å; K54-V58 VanDerWaalsContact O-CG2 3.27Å; K54-V58 WeakPolarHBondContact O-CG2 3.37Å; K54-V58 PolarHBondContact O-N 3.2Å
55	T	37.8	Very low	49.3	Very low	97 Å²	97	106.7 Å²	106.7	60%	0.595	60%	0.603	S	S	*	*	H	α-helix	trans	-73.4	-36.1	-176.8	-32.3	0	0	0	0	110.9	S52 V58 S59	S52-T55 WeakPolarHBondContact CB-OG1 3.14Å; S52-T55 PolarHBondContact O-N 3.44Å; S52-T55 VanDerWaalsContact O-N 3.09Å; S52-T55 PolarHBondContact OG-N 3.2Å; S52-T55 PolarHBondContact OG-OG1 2.87Å; T55-V58 PolarHBondContact O-N 2.66Å; T55-S59 PolarHBondContact O-N 3.12Å
56	Q	43.3	Very low	51.9	Low	120 Å²	120	103.9 Å²	103.9	56%	0.561	59%	0.587	S	S	*	*	H	α-helix	trans	-70.2	-35.8	176.2	-142.3	172.2	10.5	0	0	112.6	S59 L60	Q56-S59 PolarHBondContact O-OG 3.39Å; Q56-L60 WeakPolarHBondContact O-CB 3.42Å; Q56-L60 PolarHBondContact O-N 3.3Å; Q56-L60 VanDerWaalsContact O-N 3.11Å
57	N	52.9	Low	55	Low	107 Å²	107	101 Å²	101	57%	0.572	56%	0.564	S	S	*	*	H	α-helix	trans	-70.9	-30.1	174.2	-81.4	-30.5	0	0	0	113.1	N53 K61	N53-N57 WeakPolarHBondContact O-CB 3.19Å; N53-N57 VanDerWaalsContact O-CG 3.26Å; N53-N57 PolarHBondContact O-N 3.33Å; N53-N57 PolarHBondContact O-ND2 2.96Å; N57-K61 VanDerWaalsContact O-CB 3.24Å; N57-K61 WeakPolarHBondContact O-CB 3.29Å; N57-K61 PolarHBondContact O-N 2.99Å
58	V	56.2	Low	57.6	Low	81 Å²	81	96.1 Å²	96.1	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-72.3	-42.7	175.9	172.2	0	0	0	0	111	K54 T55 K61 Q62	K54-V58 VanDerWaalsContact O-CG2 3.27Å; K54-V58 WeakPolarHBondContact O-CG2 3.37Å; K54-V58 PolarHBondContact O-N 3.2Å; T55-V58 PolarHBondContact O-N 2.66Å; V58-K61 PolarHBondContact O-N 3.5Å; V58-Q62 WeakPolarHBondContact O-CB 3.37Å; V58-Q62 WeakPolarHBondContact O-CG 3.24Å; V58-Q62 PolarHBondContact O-N 3.18Å
59	S	60.8	Low	60.2	Low	65 Å²	65	92 Å²	92	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-40.8	177.1	63.6	0	0	0	0	112.5	T55 Q56 Q62 S63	T55-S59 PolarHBondContact O-N 3.12Å; Q56-S59 PolarHBondContact O-OG 3.39Å; S59-Q62 PolarHBondContact O-N 2.9Å; S59-S63 WeakPolarHBondContact O-CB 3.29Å; S59-S63 PolarHBondContact O-N 3.48Å
60	L	62.6	Low	63.3	Low	90 Å²	90	91.7 Å²	91.7	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-42	172.8	-91.7	157.9	0	0	0	112.1	Q56 S63 W64	Q56-L60 WeakPolarHBondContact O-CB 3.42Å; Q56-L60 PolarHBondContact O-N 3.3Å; Q56-L60 VanDerWaalsContact O-N 3.11Å; L60-S63 PolarHBondContact O-N 3.45Å; L60-W64 VanDerWaalsContact O-CD1 3.24Å; L60-W64 PolarHBondContact O-N 2.93Å
61	K	65.8	Low	66.1	Low	128 Å²	128	86.6 Å²	86.6	56%	0.557	44%	0.441	S	S	*	.	H	α-helix	trans	-65.9	-41.6	178.1	-172.4	178.6	176.8	-174.7	0	112.1	N57 V58 S63 W64 E65	N57-K61 VanDerWaalsContact O-CB 3.24Å; N57-K61 WeakPolarHBondContact O-CB 3.29Å; N57-K61 PolarHBondContact O-N 2.99Å; V58-K61 PolarHBondContact O-N 3.5Å; K61-S63 VanDerWaalsContact C-N 3.35Å; K61-W64 PolarHBondContact O-N 3.35Å; K61-E65 PolarHBondContact O-N 3.42Å
62	Q	71.6	Confident	68.9	Low	120 Å²	120	78 Å²	78	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-38.9	174.3	-78.1	174.5	-32.7	0	0	112	V58 S59 E65 M66	V58-Q62 WeakPolarHBondContact O-CB 3.37Å; V58-Q62 WeakPolarHBondContact O-CG 3.24Å; V58-Q62 PolarHBondContact O-N 3.18Å; S59-Q62 PolarHBondContact O-N 2.9Å; Q62-E65 PolarHBondContact O-N 3.04Å; Q62-M66 WeakPolarHBondContact O-CG 3.4Å; Q62-M66 PolarHBondContact O-N 3.49Å; Q62-M66 VanDerWaalsContact O-N 3.12Å
63	S	79.3	Confident	71.5	Confident	61 Å²	61	75.7 Å²	75.7	43%	0.427	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.7	173.4	0	0	0	0	112.3	S59 L60 K61 M66 N67	S59-S63 WeakPolarHBondContact O-CB 3.29Å; S59-S63 PolarHBondContact O-N 3.48Å; L60-S63 PolarHBondContact O-N 3.45Å; K61-S63 VanDerWaalsContact C-N 3.35Å; S63-M66 PolarHBondContact O-N 2.81Å; S63-N67 PolarHBondContact O-N 3.26Å; S63-N67 VanDerWaalsContact O-N 3.09Å; S63-N67 PolarHBondContact O-OD1 2.88Å
64	W	84.1	Confident	74.1	Confident	70 Å²	70	70.8 Å²	70.8	27%	0.265	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-36.5	176.7	-82.1	102.9	0	0	0	113.4	L60 K61 M66 N67 Y68 Q359	L60-W64 VanDerWaalsContact O-CD1 3.24Å; L60-W64 PolarHBondContact O-N 2.93Å; K61-W64 PolarHBondContact O-N 3.35Å; W64-M66 VanDerWaalsContact C-N 3.31Å; W64-M66 PolarHBondContact O-N 3.21Å; W64-N67 PolarHBondContact O-N 3.16Å; W64-Y68 HydrophobicContact CB-CE2 4.04Å; W64-Y68 AromaticContact CE3-CE1 3.72Å; W64-Y68 HydrophobicContact CE3-CE1 3.72Å; W64-Y68 AromaticContact CE3-CZ 3.85Å; W64-Y68 HydrophobicContact CZ3-CE1 4.31Å; W64-Y68 WeakPolarHBondContact O-CD2 3.4Å; W64-Y68 PolarHBondContact O-N 3.18Å; W64-Q359 HydrophobicContact CZ3-CG 4.08Å
65	E	86.5	Confident	76.6	Confident	85 Å²	85	62.6 Å²	62.6	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-39.3	174.8	-78.8	-178.8	-176.3	0	0	112	K61 Q62 Y68 Q69	K61-E65 PolarHBondContact O-N 3.42Å; Q62-E65 PolarHBondContact O-N 3.04Å; E65-Y68 PolarHBondContact O-N 3.41Å; E65-Q69 PolarHBondContact O-N 3.38Å
66	M	85.1	Confident	79.1	Confident	98 Å²	98	60.6 Å²	60.6	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-46.2	172.7	-70.1	-61.8	-59.2	0	0	111.7	Q62 S63 W64 Y68 Q69 E70 L94	Q62-M66 WeakPolarHBondContact O-CG 3.4Å; Q62-M66 PolarHBondContact O-N 3.49Å; Q62-M66 VanDerWaalsContact O-N 3.12Å; S63-M66 PolarHBondContact O-N 2.81Å; W64-M66 VanDerWaalsContact C-N 3.31Å; W64-M66 PolarHBondContact O-N 3.21Å; M66-Y68 VanDerWaalsContact C-N 3.29Å; M66-Y68 PolarHBondContact O-N 2.94Å; M66-Q69 PolarHBondContact O-N 3.02Å; M66-Q69 VanDerWaalsContact O-N 3.15Å; M66-E70 WeakPolarHBondContact O-CB 3.35Å; M66-E70 PolarHBondContact O-N 3.49Å; M66-L94 HydrophobicContact CE-CD2 4.22Å
67	N	88.4	Confident	81.4	Confident	43 Å²	43	54.9 Å²	54.9	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-38.3	177	-67.2	5.4	0	0	0	112.1	S63 W64 E70 A71	S63-N67 PolarHBondContact O-N 3.26Å; S63-N67 VanDerWaalsContact O-N 3.09Å; S63-N67 PolarHBondContact O-OD1 2.88Å; W64-N67 PolarHBondContact O-N 3.16Å; N67-E70 PolarHBondContact O-N 3.27Å; N67-A71 VanDerWaalsContact O-CB 3.26Å; N67-A71 WeakPolarHBondContact O-CB 3.31Å; N67-A71 PolarHBondContact O-N 3.38Å
68	Y	90.6	Very high	83.2	Confident	23 Å²	23	49.8 Å²	49.8	9%	0.09	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-39.6	176.1	-61.2	-33.2	0	0	0	112.2	W64 E65 M66 A72 L346 Q359	W64-Y68 HydrophobicContact CB-CE2 4.04Å; W64-Y68 AromaticContact CE3-CE1 3.72Å; W64-Y68 HydrophobicContact CE3-CE1 3.72Å; W64-Y68 AromaticContact CE3-CZ 3.85Å; W64-Y68 HydrophobicContact CZ3-CE1 4.31Å; W64-Y68 WeakPolarHBondContact O-CD2 3.4Å; W64-Y68 PolarHBondContact O-N 3.18Å; E65-Y68 PolarHBondContact O-N 3.41Å; M66-Y68 VanDerWaalsContact C-N 3.29Å; M66-Y68 PolarHBondContact O-N 2.94Å; Y68-A72 VanDerWaalsContact O-CB 3.31Å; Y68-A72 WeakPolarHBondContact O-CB 3.45Å; Y68-A72 PolarHBondContact O-N 3.32Å; Y68-L346 HydrophobicContact CD1-CD2 3.77Å; Y68-L346 HydrophobicContact CE1-CD2 4.16Å; Y68-Q359 HydrophobicContact CE1-CB 4.16Å; Y68-Q359 HydrophobicContact CE1-CG 4.27Å
69	Q	89.9	Confident	84.7	Confident	37 Å²	37	50.1 Å²	50.1	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-43	176.4	-175.8	168.2	6.1	0	0	111.3	E65 M66 A72 I73 F366	E65-Q69 PolarHBondContact O-N 3.38Å; M66-Q69 PolarHBondContact O-N 3.02Å; M66-Q69 VanDerWaalsContact O-N 3.15Å; Q69-A72 PolarHBondContact O-N 3.47Å; Q69-I73 HydrophobicContact CG-CD1 4.23Å; Q69-I73 VanDerWaalsContact O-CG1 3.3Å; Q69-I73 WeakPolarHBondContact O-CG1 3.29Å; Q69-I73 PolarHBondContact O-N 3.28Å; Q69-F366 HydrophobicContact CB-CD1 4.08Å; Q69-F366 HydrophobicContact CB-CD2 4.34Å; Q69-F366 HydrophobicContact CB-CE1 4.18Å; Q69-F366 HydrophobicContact CB-CE2 4.42Å; Q69-F366 HydrophobicContact CB-CG 4.16Å; Q69-F366 HydrophobicContact CB-CZ 4.34Å; Q69-F366 HydrophobicContact CG-CD1 4.15Å; Q69-F366 HydrophobicContact CG-CE1 4.41Å
70	E	90.9	Very high	85.9	Confident	59 Å²	59	48.5 Å²	48.5	28%	0.276	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-48.6	177.7	-164.7	-179.6	168.2	0	0	111.7	M66 N67 A72 I73 Y74 H87 L345	M66-E70 WeakPolarHBondContact O-CB 3.35Å; M66-E70 PolarHBondContact O-N 3.49Å; N67-E70 PolarHBondContact O-N 3.27Å; E70-A72 VanDerWaalsContact C-N 3.27Å; E70-A72 PolarHBondContact O-N 3.32Å; E70-I73 WeakPolarHBondContact O-CA 3.08Å; E70-I73 WeakPolarHBondContact O-CB 3.28Å; E70-I73 PolarHBondContact O-N 3.3Å; E70-Y74 HydrophobicContact CG-CD2 4.19Å; E70-Y74 HydrophobicContact CG-CE2 3.81Å; E70-Y74 WeakPolarHBondContact O-CD2 3.41Å; E70-Y74 PolarHBondContact O-N 3.32Å; E70-H87 VanDerWaalsContact CG-NE2 3.3Å; E70-H87 WeakPolarHBondContact CG-NE2 3.3Å; E70-H87 IonicContact OE1-NE2 2.93Å; E70-L345 HydrophobicContact CB-CD1 4.34Å; E70-L345 HydrophobicContact CG-CD1 4.02Å
71	A	91.7	Very high	87.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-35.9	175.7	0	0	0	0	0	112.4	N67 I73 L75 A342 L345 L346 L363	N67-A71 VanDerWaalsContact O-CB 3.26Å; N67-A71 WeakPolarHBondContact O-CB 3.31Å; N67-A71 PolarHBondContact O-N 3.38Å; A71-I73 VanDerWaalsContact C-N 3.34Å; A71-L75 WeakPolarHBondContact O-CG 3.06Å; A71-L75 PolarHBondContact O-N 3.19Å; A71-A342 HydrophobicContact CB-CB 4.25Å; A71-L345 HydrophobicContact CB-CB 4.25Å; A71-L345 HydrophobicContact CB-CD1 4.37Å; A71-L346 HydrophobicContact CB-CD1 4.26Å; A71-L346 HydrophobicContact CB-CD2 4.05Å; A71-L346 HydrophobicContact CB-CG 3.94Å; A71-L363 HydrophobicContact CB-CD1 3.74Å
72	A	92.1	Very high	88	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-37.2	173.7	0	0	0	0	0	112.1	Y68 Q69 E70 L75 Q76 L363 F366	Y68-A72 VanDerWaalsContact O-CB 3.31Å; Y68-A72 WeakPolarHBondContact O-CB 3.45Å; Y68-A72 PolarHBondContact O-N 3.32Å; Q69-A72 PolarHBondContact O-N 3.47Å; E70-A72 VanDerWaalsContact C-N 3.27Å; E70-A72 PolarHBondContact O-N 3.32Å; A72-L75 PolarHBondContact O-N 3.46Å; A72-Q76 VanDerWaalsContact O-CG 3.29Å; A72-Q76 WeakPolarHBondContact O-CG 3.47Å; A72-Q76 PolarHBondContact O-N 3.01Å; A72-L363 HydrophobicContact CB-CD1 4.01Å; A72-F366 HydrophobicContact CB-CB 3.68Å
73	I	92.2	Very high	88.7	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-45.5	176.1	-69.5	164.9	0	0	0	110.6	Q69 E70 A71 L75 Q76 E77 P88 L94 Y97	Q69-I73 HydrophobicContact CG-CD1 4.23Å; Q69-I73 VanDerWaalsContact O-CG1 3.3Å; Q69-I73 WeakPolarHBondContact O-CG1 3.29Å; Q69-I73 PolarHBondContact O-N 3.28Å; E70-I73 WeakPolarHBondContact O-CA 3.08Å; E70-I73 WeakPolarHBondContact O-CB 3.28Å; E70-I73 PolarHBondContact O-N 3.3Å; A71-I73 VanDerWaalsContact C-N 3.34Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 2.98Å; I73-Q76 CarbonylContact O-C 3.44Å; I73-Q76 WeakPolarHBondContact O-CA 3.32Å; I73-Q76 WeakPolarHBondContact O-CB 3.39Å; I73-Q76 PolarHBondContact O-N 2.99Å; I73-E77 HydrophobicContact CG2-CG 4.08Å; I73-E77 WeakPolarHBondContact O-CG 3.34Å; I73-E77 PolarHBondContact O-N 3.37Å; I73-P88 HydrophobicContact CD1-CG 4.16Å; I73-P88 HydrophobicContact CG2-CG 4.22Å; I73-L94 HydrophobicContact CD1-CD1 3.34Å; I73-Y97 HydrophobicContact CD1-CD1 4.43Å; I73-Y97 HydrophobicContact CD1-CE1 4.47Å; I73-Y97 HydrophobicContact CG1-CD1 4.48Å; I73-Y97 HydrophobicContact CG1-CE1 4.04Å; I73-Y97 HydrophobicContact CG2-CD1 4.49Å; I73-Y97 HydrophobicContact CG2-CE1 3.86Å; I73-Y97 HydrophobicContact CG2-CE2 4.22Å
74	Y	93.1	Very high	88.9	Confident	23 Å²	23	43.5 Å²	43.5	9%	0.09	20%	0.203	C	C	.	.	H	α-helix	trans	-55.1	-44.6	175.2	-82.7	-72	0	0	0	112.1	E70 Q76 E77 G78 F84 H87 A338 H341 L345	E70-Y74 HydrophobicContact CG-CD2 4.19Å; E70-Y74 HydrophobicContact CG-CE2 3.81Å; E70-Y74 WeakPolarHBondContact O-CD2 3.41Å; E70-Y74 PolarHBondContact O-N 3.32Å; Y74-Q76 VanDerWaalsContact C-N 3.33Å; Y74-Q76 PolarHBondContact O-N 3.34Å; Y74-E77 PolarHBondContact O-N 2.82Å; Y74-G78 PolarHBondContact O-N 3.14Å; Y74-F84 HydrophobicContact CD1-CD1 4.04Å; Y74-F84 HydrophobicContact CD1-CE1 4.29Å; Y74-F84 HydrophobicContact CE1-CD1 4.3Å; Y74-H87 AromaticContact CD1-ND1 3.97Å; Y74-H87 AromaticContact CD2-CE1 3.53Å; Y74-H87 AromaticContact CE1-CE1 3.89Å; Y74-H87 AromaticContact CE1-ND1 3.66Å; Y74-H87 AromaticContact CE2-CE1 3.28Å; Y74-H87 WeakPolarHBondContact CE2-CE1 3.43Å; Y74-H87 AromaticContact CE2-ND1 3.9Å; Y74-H87 AromaticContact CE2-NE2 3.39Å; Y74-H87 WeakPolarHBondContact CE2-NE2 3.29Å; Y74-H87 AromaticContact CG-CE1 3.91Å; Y74-H87 AromaticContact CZ-CD2 3.76Å; Y74-H87 AromaticContact CZ-CE1 3.48Å; Y74-H87 VanDerWaalsContact CZ-CE1 3.48Å; Y74-H87 AromaticContact CZ-CG 3.77Å; Y74-H87 AromaticContact CZ-ND1 3.61Å; Y74-H87 AromaticContact CZ-NE2 3.62Å; Y74-H87 PolarHBondContact OH-CD2 3.06Å; Y74-A338 WeakPolarHBondContact O-CB 3.31Å; Y74-H341 HydrophobicContact CD1-CB 3.9Å; Y74-H341 HydrophobicContact CE1-CB 4.11Å; Y74-H341 HydrophobicContact CG-CB 4.12Å; Y74-L345 HydrophobicContact CD2-CD1 3.55Å; Y74-L345 HydrophobicContact CE2-CD1 3.52Å
75	L	93.1	Very high	88.7	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-34.5	177.7	-70.2	166.4	0	0	0	112.7	A71 A72 I73 E79 I339 A342 L363 Y367 F399 Y400	A71-L75 WeakPolarHBondContact O-CG 3.06Å; A71-L75 PolarHBondContact O-N 3.19Å; A72-L75 PolarHBondContact O-N 3.46Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 2.98Å; L75-E79 WeakPolarHBondContact O-CB 3.29Å; L75-E79 PolarHBondContact O-N 3.18Å; L75-I339 HydrophobicContact CD2-CG1 4.02Å; L75-A342 HydrophobicContact CD1-CB 4.15Å; L75-A342 HydrophobicContact CD2-CB 4.1Å; L75-A342 HydrophobicContact CG-CB 3.8Å; L75-L363 HydrophobicContact CD1-CD1 3.96Å; L75-L363 HydrophobicContact CD1-CD2 3.79Å; L75-L363 HydrophobicContact CD1-CG 4.33Å; L75-Y367 HydrophobicContact CB-CD2 3.93Å; L75-Y367 HydrophobicContact CB-CE2 3.78Å; L75-F399 HydrophobicContact CB-CE1 4.5Å; L75-F399 HydrophobicContact CD1-CD1 4.45Å; L75-F399 HydrophobicContact CD1-CE1 3.81Å; L75-F399 HydrophobicContact CD1-CE2 4.11Å; L75-F399 HydrophobicContact CD1-CZ 3.61Å; L75-F399 HydrophobicContact CD2-CD1 4Å; L75-F399 HydrophobicContact CD2-CE1 4.04Å; L75-F399 HydrophobicContact CG-CE1 4.35Å; L75-Y400 WeakPolarHBondContact CA-OH 3.47Å; L75-Y400 PolarHBondContact O-OH 3.49Å
76	Q	91.6	Very high	88.3	Confident	54 Å²	54	44.9 Å²	44.9	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-43.3	173.8	-73.3	173.2	1.2	0	0	111.8	A72 I73 Y74 G78 E79 N80 Y367	A72-Q76 VanDerWaalsContact O-CG 3.29Å; A72-Q76 WeakPolarHBondContact O-CG 3.47Å; A72-Q76 PolarHBondContact O-N 3.01Å; I73-Q76 CarbonylContact O-C 3.44Å; I73-Q76 WeakPolarHBondContact O-CA 3.32Å; I73-Q76 WeakPolarHBondContact O-CB 3.39Å; I73-Q76 PolarHBondContact O-N 2.99Å; Y74-Q76 VanDerWaalsContact C-N 3.33Å; Y74-Q76 PolarHBondContact O-N 3.34Å; Q76-G78 VanDerWaalsContact C-N 3.33Å; Q76-G78 PolarHBondContact O-N 3.31Å; Q76-E79 PolarHBondContact O-N 3.04Å; Q76-N80 VanDerWaalsContact O-CB 3.28Å; Q76-N80 WeakPolarHBondContact O-CB 3.41Å; Q76-N80 PolarHBondContact O-N 3.3Å; Q76-N80 PolarHBondContact O-ND2 3.39Å; Q76-Y367 HydrophobicContact CG-CD2 3.86Å; Q76-Y367 HydrophobicContact CG-CE2 3.82Å
77	E	91.7	Very high	88.3	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.6	-71.6	-179.7	161.1	0	0	111	I73 Y74 N80 N81 D82 F84 H87 Y97	I73-E77 HydrophobicContact CG2-CG 4.08Å; I73-E77 WeakPolarHBondContact O-CG 3.34Å; I73-E77 PolarHBondContact O-N 3.37Å; Y74-E77 PolarHBondContact O-N 2.82Å; E77-N80 PolarHBondContact O-N 3.42Å; E77-N81 WeakPolarHBondContact O-CA 3.32Å; E77-N81 PolarHBondContact O-N 3.47Å; E77-D82 HydrophobicContact CB-CB 4.29Å; E77-D82 HydrophobicContact CG-CB 4.32Å; E77-D82 PolarHBondContact O-N 3.17Å; E77-F84 HydrophobicContact CB-CD1 4.35Å; E77-F84 HydrophobicContact CB-CE1 4.2Å; E77-H87 IonicContact OE1-ND1 3.79Å; E77-H87 IonicContact OE2-CE1 3.89Å; E77-H87 IonicContact OE2-CG 3.53Å; E77-H87 IonicContact OE2-ND1 3.91Å; E77-H87 PolarHBondContact OE2-ND1 3.35Å; E77-Y97 HydrophobicContact CG-CE2 4.18Å; E77-Y97 WeakPolarHBondContact CG-OH 3.42Å; E77-Y97 WeakPolarHBondContact OE1-CE2 3.47Å
78	G	90.2	Very high	88.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-44.6	172.8	0	0	0	0	0	113.1	Y74 Q76 K335	Y74-G78 PolarHBondContact O-N 3.14Å; Q76-G78 VanDerWaalsContact C-N 3.33Å; Q76-G78 PolarHBondContact O-N 3.31Å; G78-K335 WeakPolarHBondContact O-CG 3.48Å
79	E	87.8	Confident	87.6	Confident	88 Å²	88	48.9 Å²	48.9	41%	0.411	22%	0.221	S	C	.	.	H	α-helix	trans	-67.7	-39.1	177.3	-173.1	173	-174.4	0	0	112.4	L75 Q76 N81 Y367 Y400	L75-E79 WeakPolarHBondContact O-CB 3.29Å; L75-E79 PolarHBondContact O-N 3.18Å; Q76-E79 PolarHBondContact O-N 3.04Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-Y367 PolarHBondContact OE2-OH 3.01Å; E79-Y400 HydrophobicContact CB-CE1 4Å
80	N	86.1	Confident	87.2	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.16	24%	0.241	C	C	.	.	H	α-helix	trans	-79.7	-15.5	-178.3	-66	-18.3	0	0	0	113.5	Q76 E77 D82 R210	Q76-N80 VanDerWaalsContact O-CB 3.28Å; Q76-N80 WeakPolarHBondContact O-CB 3.41Å; Q76-N80 PolarHBondContact O-N 3.3Å; Q76-N80 PolarHBondContact O-ND2 3.39Å; E77-N80 PolarHBondContact O-N 3.42Å; N80-D82 WeakPolarHBondContact CB-OD2 3.31Å; N80-R210 PolarHBondContact OD1-NH2 3.07Å
81	N	87	Confident	86.7	Confident	47 Å²	47	54.5 Å²	54.5	25%	0.251	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	46.7	-168.9	-178.2	85	0	0	0	111.4	E77 E79 L331	E77-N81 WeakPolarHBondContact O-CA 3.32Å; E77-N81 PolarHBondContact O-N 3.47Å; E79-N81 VanDerWaalsContact C-N 3.34Å; N81-L331 HydrophobicContact CB-CD2 3.64Å; N81-L331 VanDerWaalsContact CG-CD2 3.48Å; N81-L331 WeakPolarHBondContact OD1-CD2 3.44Å
82	D	85	Confident	86.3	Confident	40 Å²	40	63 Å²	63	21%	0.214	30%	0.296	C	S	.	.			trans	-92.1	140.7	169.6	-69.9	-43.3	0	0	0	109.8	E77 N80 H101 H334	E77-D82 HydrophobicContact CB-CB 4.29Å; E77-D82 HydrophobicContact CG-CB 4.32Å; E77-D82 PolarHBondContact O-N 3.17Å; N80-D82 WeakPolarHBondContact CB-OD2 3.31Å; D82-H101 IonicContact OD2-NE2 2.7Å; D82-H334 PolarHBondContact O-CE1 3.42Å; D82-H334 PolarHBondContact O-NE2 3.39Å; D82-H334 VanDerWaalsContact O-NE2 3.1Å
83	K	85.8	Confident	85.9	Confident	160 Å²	160	64.2 Å²	64.2	70%	0.696	31%	0.306	S	S	*	.			trans	-71.1	136.1	-176.9	-65.4	-171.7	175.2	-166.8	0	110.8	F85 S86	K83-F85 PolarHBondContact O-N 3.43Å; K83-F85 VanDerWaalsContact O-N 3.15Å; K83-S86 PolarHBondContact O-N 3.15Å; K83-S86 PolarHBondContact O-OG 2.8Å
84	F	85.3	Confident	85.7	Confident	47 Å²	47	65 Å²	65	21%	0.206	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-66.1	-15.3	178.8	-52.9	-48.4	0	0	0	114.8	Y74 E77 S86 H87 H334 A338	Y74-F84 HydrophobicContact CD1-CD1 4.04Å; Y74-F84 HydrophobicContact CD1-CE1 4.29Å; Y74-F84 HydrophobicContact CE1-CD1 4.3Å; E77-F84 HydrophobicContact CB-CD1 4.35Å; E77-F84 HydrophobicContact CB-CE1 4.2Å; F84-S86 PolarHBondContact O-N 3.41Å; F84-H87 WeakPolarHBondContact O-CB 3.44Å; F84-H87 PolarHBondContact O-N 3.48Å; F84-H87 VanDerWaalsContact O-N 3.1Å; F84-H334 AromaticContact CE1-CE1 3.82Å; F84-H334 AromaticContact CE1-NE2 3.96Å; F84-H334 AromaticContact CE2-NE2 3.79Å; F84-H334 AromaticContact CZ-CE1 3.6Å; F84-H334 AromaticContact CZ-NE2 3.59Å; F84-A338 HydrophobicContact CE1-CB 4.07Å; F84-A338 HydrophobicContact CZ-CB 3.79Å
85	F	78.6	Confident	85.4	Confident	165 Å²	165	66.7 Å²	66.7	72%	0.724	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.8	-27.8	175.3	-177.1	-99	0	0	0	113	K83 H87 T163	K83-F85 PolarHBondContact O-N 3.43Å; K83-F85 VanDerWaalsContact O-N 3.15Å; F85-H87 VanDerWaalsContact C-N 3.29Å; F85-H87 PolarHBondContact O-N 2.94Å; F85-T163 HydrophobicContact CD1-CG2 4.31Å; F85-T163 HydrophobicContact CE1-CG2 4.45Å
86	S	78.6	Confident	85.1	Confident	20 Å²	20	67 Å²	67	14%	0.14	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-90.4	14.5	177.5	47	0	0	0	0	114	K83 F84 W158	K83-S86 PolarHBondContact O-N 3.15Å; K83-S86 PolarHBondContact O-OG 2.8Å; F84-S86 PolarHBondContact O-N 3.41Å; S86-W158 PolarHBondContact O-NE1 3Å
87	H	84.6	Confident	85	Confident	15 Å²	15	64.5 Å²	64.5	7%	0.069	32%	0.32	C	S	.	.			trans	-63.3	131.5	-177	-170.6	82.1	0	0	0	111.6	E70 Y74 E77 F84 F85 R89	E70-H87 VanDerWaalsContact CG-NE2 3.3Å; E70-H87 WeakPolarHBondContact CG-NE2 3.3Å; E70-H87 IonicContact OE1-NE2 2.93Å; Y74-H87 AromaticContact CD1-ND1 3.97Å; Y74-H87 AromaticContact CD2-CE1 3.53Å; Y74-H87 AromaticContact CE1-CE1 3.89Å; Y74-H87 AromaticContact CE1-ND1 3.66Å; Y74-H87 AromaticContact CE2-CE1 3.28Å; Y74-H87 WeakPolarHBondContact CE2-CE1 3.43Å; Y74-H87 AromaticContact CE2-ND1 3.9Å; Y74-H87 AromaticContact CE2-NE2 3.39Å; Y74-H87 WeakPolarHBondContact CE2-NE2 3.29Å; Y74-H87 AromaticContact CG-CE1 3.91Å; Y74-H87 AromaticContact CZ-CD2 3.76Å; Y74-H87 AromaticContact CZ-CE1 3.48Å; Y74-H87 VanDerWaalsContact CZ-CE1 3.48Å; Y74-H87 AromaticContact CZ-CG 3.77Å; Y74-H87 AromaticContact CZ-ND1 3.61Å; Y74-H87 AromaticContact CZ-NE2 3.62Å; Y74-H87 PolarHBondContact OH-CD2 3.06Å; E77-H87 IonicContact OE1-ND1 3.79Å; E77-H87 IonicContact OE2-CE1 3.89Å; E77-H87 IonicContact OE2-CG 3.53Å; E77-H87 IonicContact OE2-ND1 3.91Å; E77-H87 PolarHBondContact OE2-ND1 3.35Å; F84-H87 WeakPolarHBondContact O-CB 3.44Å; F84-H87 PolarHBondContact O-N 3.48Å; F84-H87 VanDerWaalsContact O-N 3.1Å; F85-H87 VanDerWaalsContact C-N 3.29Å; F85-H87 PolarHBondContact O-N 2.94Å; H87-R89 PolarHBondContact O-N 3.46Å
88	P	84.8	Confident	84.8	Confident	13 Å²	13	68.4 Å²	68.4	8%	0.084	34%	0.341	C	S	.	.			trans	-75.7	95.2	-174.1	30.1	-35.2	0	0	0	112.6	I73 A93 L94 Y97	I73-P88 HydrophobicContact CD1-CG 4.16Å; I73-P88 HydrophobicContact CG2-CG 4.22Å; P88-A93 HydrophobicContact CB-CB 4.03Å; P88-L94 HydrophobicContact CB-CB 4.31Å; P88-L94 HydrophobicContact CG-CD1 4.32Å; P88-Y97 HydrophobicContact CG-CD2 4.22Å; P88-Y97 HydrophobicContact CG-CG 4.03Å
89	R	80.1	Confident	84.9	Confident	220 Å²	220	73 Å²	73	83%	0.83	36%	0.36	S	S	*	.			trans	-79.8	-23.9	175.4	-63.9	-177.1	176.6	179.3	-1	114.6	H87	H87-R89 PolarHBondContact O-N 3.46Å
90	N	81.4	Confident	84.8	Confident	112 Å²	112	69 Å²	69	60%	0.599	34%	0.343	S	S	*	.	S	Bend	trans	-107	149	-175.2	-70.4	-27.6	0	0	0	111.6	K92 A93 L94	N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.37Å; N90-A93 HydrophobicContact CB-CB 4.24Å; N90-A93 CarbonylContact O-C 3.54Å; N90-A93 WeakPolarHBondContact O-CA 3.28Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.01Å; N90-L94 PolarHBondContact O-N 3.3Å
91	P	80.4	Confident	84.9	Confident	101 Å²	101	69.2 Å²	69.2	66%	0.656	34%	0.343	S	S	*	.	H	α-helix	trans	-61.4	-32.8	179.9	24	-34	0	0	0	113	L94 A95	P91-L94 PolarHBondContact O-N 2.92Å; P91-A95 PolarHBondContact O-N 2.95Å
92	K	83.6	Confident	85.1	Confident	179 Å²	179	70.6 Å²	70.6	78%	0.778	35%	0.35	S	S	*	.	H	α-helix	trans	-66.3	-39.1	173.2	-68.4	-177.7	-178.5	176	0	112.2	N90 A96	N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.37Å; K92-A96 PolarHBondContact O-N 3.44Å
93	A	83.3	Confident	85.3	Confident	27 Å²	27	73.9 Å²	73.9	22%	0.223	36%	0.364	C	S	.	.	H	α-helix	trans	-71.4	-37.8	177.2	0	0	0	0	0	111	P88 N90 A96 Y97	P88-A93 HydrophobicContact CB-CB 4.03Å; N90-A93 HydrophobicContact CB-CB 4.24Å; N90-A93 CarbonylContact O-C 3.54Å; N90-A93 WeakPolarHBondContact O-CA 3.28Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.01Å; A93-A96 PolarHBondContact O-N 3.39Å; A93-Y97 WeakPolarHBondContact O-CB 3.15Å; A93-Y97 PolarHBondContact O-N 3.04Å
94	L	87	Confident	85.6	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-46.8	174.4	179.4	62.9	0	0	0	111.9	M66 I73 P88 N90 P91 A96 Y97 L98	M66-L94 HydrophobicContact CE-CD2 4.22Å; I73-L94 HydrophobicContact CD1-CD1 3.34Å; P88-L94 HydrophobicContact CB-CB 4.31Å; P88-L94 HydrophobicContact CG-CD1 4.32Å; N90-L94 PolarHBondContact O-N 3.3Å; P91-L94 PolarHBondContact O-N 2.92Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.25Å; L94-Y97 PolarHBondContact O-N 3.47Å; L94-L98 HydrophobicContact CD1-CD1 4.21Å; L94-L98 HydrophobicContact CD1-CG 4.26Å; L94-L98 HydrophobicContact CG-CD1 4.12Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.35Å; L94-L98 PolarHBondContact O-N 3.5Å
95	A	87.6	Confident	85.9	Confident	58 Å²	58	70.6 Å²	70.6	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-40.2	176	0	0	0	0	0	112.2	P91 F99	P91-A95 PolarHBondContact O-N 2.95Å; A95-F99 WeakPolarHBondContact O-CB 3.43Å; A95-F99 PolarHBondContact O-N 3.35Å; A95-F99 VanDerWaalsContact O-N 3.1Å
96	A	87.7	Confident	86.6	Confident	8 Å²	8	64.2 Å²	64.2	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-42.2	175.7	0	0	0	0	0	112.2	K92 A93 L94 F99 A100 R157 W158	K92-A96 PolarHBondContact O-N 3.44Å; A93-A96 PolarHBondContact O-N 3.39Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.25Å; A96-F99 PolarHBondContact O-N 2.93Å; A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.37Å; A96-R157 HydrophobicContact CB-CG 4.26Å; A96-W158 HydrophobicContact CB-CB 4.19Å
97	Y	88.8	Confident	87.3	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-51.2	176	178.5	-86.9	0	0	0	111.2	I73 E77 P88 A93 L94 F99 A100 H101 W158	I73-Y97 HydrophobicContact CD1-CD1 4.43Å; I73-Y97 HydrophobicContact CD1-CE1 4.47Å; I73-Y97 HydrophobicContact CG1-CD1 4.48Å; I73-Y97 HydrophobicContact CG1-CE1 4.04Å; I73-Y97 HydrophobicContact CG2-CD1 4.49Å; I73-Y97 HydrophobicContact CG2-CE1 3.86Å; I73-Y97 HydrophobicContact CG2-CE2 4.22Å; E77-Y97 HydrophobicContact CG-CE2 4.18Å; E77-Y97 WeakPolarHBondContact CG-OH 3.42Å; E77-Y97 WeakPolarHBondContact OE1-CE2 3.47Å; P88-Y97 HydrophobicContact CG-CD2 4.22Å; P88-Y97 HydrophobicContact CG-CG 4.03Å; A93-Y97 WeakPolarHBondContact O-CB 3.15Å; A93-Y97 PolarHBondContact O-N 3.04Å; L94-Y97 PolarHBondContact O-N 3.47Å; Y97-F99 VanDerWaalsContact C-N 3.29Å; Y97-F99 PolarHBondContact O-N 3.36Å; Y97-A100 PolarHBondContact O-N 2.84Å; Y97-H101 AromaticContact CD1-ND1 3.96Å; Y97-H101 AromaticContact CD2-CE1 3.53Å; Y97-H101 AromaticContact CD2-ND1 3.59Å; Y97-H101 HydrophobicContact CE1-CB 4.3Å; Y97-H101 AromaticContact CE1-CG 3.95Å; Y97-H101 AromaticContact CE1-ND1 3.9Å; Y97-H101 AromaticContact CE2-CE1 3.27Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.48Å; Y97-H101 AromaticContact CE2-ND1 3.56Å; Y97-H101 AromaticContact CE2-NE2 3.75Å; Y97-H101 AromaticContact CG-ND1 3.79Å; Y97-H101 AromaticContact CZ-CD2 3.93Å; Y97-H101 AromaticContact CZ-CE1 3.72Å; Y97-H101 AromaticContact CZ-CG 3.83Å; Y97-H101 AromaticContact CZ-ND1 3.69Å; Y97-H101 AromaticContact CZ-NE2 3.91Å; Y97-H101 WeakPolarHBondContact O-CB 3.44Å; Y97-H101 PolarHBondContact O-N 2.9Å; Y97-H101 PolarHBondContact O-ND1 3.42Å; Y97-W158 AromaticContact CD2-CE2 3.75Å; Y97-W158 AromaticContact CD2-CZ2 3.93Å; Y97-W158 HydrophobicContact CD2-CZ2 3.93Å; Y97-W158 AromaticContact CD2-NE1 3.52Å; Y97-W158 HydrophobicContact CE2-CZ2 4.05Å
98	L	88.4	Confident	87.8	Confident	82 Å²	82	68.2 Å²	68.2	43%	0.429	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-35.8	-180	-68.9	171.3	0	0	0	112.4	L94	L94-L98 HydrophobicContact CD1-CD1 4.21Å; L94-L98 HydrophobicContact CD1-CG 4.26Å; L94-L98 HydrophobicContact CG-CD1 4.12Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.35Å; L94-L98 PolarHBondContact O-N 3.5Å
99	F	90.3	Very high	88.2	Confident	96 Å²	96	67.9 Å²	67.9	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-48.2	174.7	-177.7	-93.4	0	0	0	111.6	A95 A96 Y97 H101 N102 F105 F150 M154	A95-F99 WeakPolarHBondContact O-CB 3.43Å; A95-F99 PolarHBondContact O-N 3.35Å; A95-F99 VanDerWaalsContact O-N 3.1Å; A96-F99 PolarHBondContact O-N 2.93Å; Y97-F99 VanDerWaalsContact C-N 3.29Å; Y97-F99 PolarHBondContact O-N 3.36Å; F99-H101 VanDerWaalsContact C-N 3.31Å; F99-H101 PolarHBondContact O-N 2.95Å; F99-N102 WeakPolarHBondContact O-CB 3.4Å; F99-N102 PolarHBondContact O-N 3.5Å; F99-F105 HydrophobicContact CE1-CD2 4.12Å; F99-F105 HydrophobicContact CE1-CE2 4.32Å; F99-F150 HydrophobicContact CE1-CZ 4.44Å; F99-F150 HydrophobicContact CZ-CZ 4.25Å; F99-M154 HydrophobicContact CD1-CG 4.33Å; F99-M154 HydrophobicContact CD1-SD 4.04Å; F99-M154 HydrophobicContact CE1-CB 4.41Å; F99-M154 HydrophobicContact CE1-CE 4.15Å; F99-M154 HydrophobicContact CE1-CG 3.81Å; F99-M154 HydrophobicContact CE1-SD 3.8Å; F99-M154 HydrophobicContact CZ-CE 4.48Å
100	A	87.1	Confident	88.9	Confident	5 Å²	5	59.6 Å²	59.6	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-28.1	-179.8	0	0	0	0	0	113.2	A96 Y97 N102 F105 Y106 W158	A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.37Å; Y97-A100 PolarHBondContact O-N 2.84Å; A100-N102 VanDerWaalsContact C-N 3.33Å; A100-F105 VanDerWaalsContact O-CD1 3.25Å; A100-F105 WeakPolarHBondContact O-CD1 3.35Å; A100-Y106 WeakPolarHBondContact O-CE1 3.34Å; A100-W158 HydrophobicContact CB-CE3 4.44Å
101	H	87.7	Confident	89.5	Confident	35 Å²	35	58.4 Å²	58.4	16%	0.162	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	17.3	-179.4	-69.1	77.6	0	0	0	114.2	D82 Y97 F99 Y106 W158	D82-H101 IonicContact OD2-NE2 2.7Å; Y97-H101 AromaticContact CD1-ND1 3.96Å; Y97-H101 AromaticContact CD2-CE1 3.53Å; Y97-H101 AromaticContact CD2-ND1 3.59Å; Y97-H101 HydrophobicContact CE1-CB 4.3Å; Y97-H101 AromaticContact CE1-CG 3.95Å; Y97-H101 AromaticContact CE1-ND1 3.9Å; Y97-H101 AromaticContact CE2-CE1 3.27Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.48Å; Y97-H101 AromaticContact CE2-ND1 3.56Å; Y97-H101 AromaticContact CE2-NE2 3.75Å; Y97-H101 AromaticContact CG-ND1 3.79Å; Y97-H101 AromaticContact CZ-CD2 3.93Å; Y97-H101 AromaticContact CZ-CE1 3.72Å; Y97-H101 AromaticContact CZ-CG 3.83Å; Y97-H101 AromaticContact CZ-ND1 3.69Å; Y97-H101 AromaticContact CZ-NE2 3.91Å; Y97-H101 WeakPolarHBondContact O-CB 3.44Å; Y97-H101 PolarHBondContact O-N 2.9Å; Y97-H101 PolarHBondContact O-ND1 3.42Å; F99-H101 VanDerWaalsContact C-N 3.31Å; F99-H101 PolarHBondContact O-N 2.95Å; H101-Y106 WeakPolarHBondContact CA-OH 3.38Å; H101-Y106 PolarHBondContact CD2-OH 3.39Å; H101-W158 AromaticContact CE1-CH2 3.5Å; H101-W158 VanDerWaalsContact CE1-CH2 3.5Å; H101-W158 WeakPolarHBondContact CE1-CH2 3.19Å; H101-W158 AromaticContact CE1-CZ2 3.66Å; H101-W158 AromaticContact CE1-CZ3 3.82Å; H101-W158 AromaticContact NE2-CH2 3.96Å
102	N	90.4	Very high	90.2	Very high	76 Å²	76	54 Å²	54	41%	0.406	28%	0.281	S	S	.	.			trans	-82.5	143	176	-166.6	-1.1	0	0	0	111.7	F99 A100 L104 F105 Y106	F99-N102 WeakPolarHBondContact O-CB 3.4Å; F99-N102 PolarHBondContact O-N 3.5Å; A100-N102 VanDerWaalsContact C-N 3.33Å; N102-L104 PolarHBondContact O-N 3.31Å; N102-F105 WeakPolarHBondContact O-CB 3.32Å; N102-F105 PolarHBondContact O-N 2.94Å; N102-Y106 PolarHBondContact O-N 3.07Å; N102-Y106 VanDerWaalsContact O-N 3.15Å
103	H	89.8	Confident	90.7	Very high	109 Å²	109	45.5 Å²	45.5	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-32.6	175.9	-174.3	-74.9	0	0	0	112.6	F105 Y106 M107 Y211	H103-F105 VanDerWaalsContact C-N 3.35Å; H103-Y106 PolarHBondContact O-N 3.46Å; H103-M107 VanDerWaalsContact CE1-CE 3.47Å; H103-M107 WeakPolarHBondContact CE1-CE 3.09Å; H103-M107 WeakPolarHBondContact O-CG 3.47Å; H103-M107 PolarHBondContact O-N 2.94Å; H103-Y211 PolarHBondContact CD2-OH 3Å; H103-Y211 PolarHBondContact CE1-OH 2.85Å; H103-Y211 PolarHBondContact NE2-OH 2.76Å
104	L	92	Very high	91.3	Very high	128 Å²	128	48.5 Å²	48.5	67%	0.67	26%	0.256	S	S	*	.	H	α-helix	trans	-64	-40.5	174.7	-67.5	176.8	0	0	0	111.9	N102 M107 M108	N102-L104 PolarHBondContact O-N 3.31Å; L104-M107 PolarHBondContact O-N 2.93Å; L104-M108 WeakPolarHBondContact O-CB 3.47Å; L104-M108 PolarHBondContact O-N 3.11Å
105	F	92.9	Very high	91.6	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.044	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-44.3	176.8	-171.4	-96.3	0	0	0	110.5	F99 A100 N102 H103 M107 M108 E109 E151 M154	F99-F105 HydrophobicContact CE1-CD2 4.12Å; F99-F105 HydrophobicContact CE1-CE2 4.32Å; A100-F105 VanDerWaalsContact O-CD1 3.25Å; A100-F105 WeakPolarHBondContact O-CD1 3.35Å; N102-F105 WeakPolarHBondContact O-CB 3.32Å; N102-F105 PolarHBondContact O-N 2.94Å; H103-F105 VanDerWaalsContact C-N 3.35Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 2.9Å; F105-M108 HydrophobicContact CD2-CE 3.77Å; F105-M108 HydrophobicContact CE2-CE 3.7Å; F105-M108 HydrophobicContact CZ-CE 4.47Å; F105-M108 WeakPolarHBondContact O-CB 3.34Å; F105-M108 PolarHBondContact O-N 3.43Å; F105-E109 HydrophobicContact CD1-CG 4.34Å; F105-E109 HydrophobicContact CE1-CG 4.12Å; F105-E109 WeakPolarHBondContact CE1-OE1 3.42Å; F105-E109 WeakPolarHBondContact O-CG 3.43Å; F105-E109 PolarHBondContact O-N 2.8Å; F105-E151 HydrophobicContact CE2-CG 4.4Å; F105-E151 HydrophobicContact CZ-CB 4.06Å; F105-E151 HydrophobicContact CZ-CG 4.1Å; F105-M154 HydrophobicContact CE2-CB 4.19Å; F105-M154 HydrophobicContact CZ-CB 4.34Å
106	Y	92.7	Very high	91.9	Very high	31 Å²	31	48.4 Å²	48.4	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-34.8	175.9	-57.9	-29.7	0	0	0	113.9	A100 H101 N102 H103 L110 R210 Y211	A100-Y106 WeakPolarHBondContact O-CE1 3.34Å; H101-Y106 WeakPolarHBondContact CA-OH 3.38Å; H101-Y106 PolarHBondContact CD2-OH 3.39Å; N102-Y106 PolarHBondContact O-N 3.07Å; N102-Y106 VanDerWaalsContact O-N 3.15Å; H103-Y106 PolarHBondContact O-N 3.46Å; Y106-L110 PolarHBondContact O-N 2.85Å; Y106-L110 VanDerWaalsContact O-N 3.17Å; Y106-R210 HydrophobicContact CD1-CB 3.59Å; Y106-R210 HydrophobicContact CD1-CG 3.89Å; Y106-R210 HydrophobicContact CD2-CB 4.42Å; Y106-R210 HydrophobicContact CD2-CG 3.99Å; Y106-R210 HydrophobicContact CE1-CB 3.88Å; Y106-R210 HydrophobicContact CE1-CG 3.81Å; Y106-R210 HydrophobicContact CE2-CG 3.9Å; Y106-R210 HydrophobicContact CG-CB 3.89Å; Y106-R210 HydrophobicContact CG-CG 3.98Å; Y106-Y211 VanDerWaalsContact CB-CE2 3.47Å
107	M	93.8	Very high	92.2	Very high	70 Å²	70	49.2 Å²	49.2	35%	0.345	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-38.6	175.4	-77.2	-64.7	154.7	0	0	111.8	H103 L104 F105 L110 V111 Y211	H103-M107 VanDerWaalsContact CE1-CE 3.47Å; H103-M107 WeakPolarHBondContact CE1-CE 3.09Å; H103-M107 WeakPolarHBondContact O-CG 3.47Å; H103-M107 PolarHBondContact O-N 2.94Å; L104-M107 PolarHBondContact O-N 2.93Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 2.9Å; M107-L110 PolarHBondContact O-N 2.96Å; M107-L110 HydrophobicContact SD-CD2 4.44Å; M107-V111 WeakPolarHBondContact O-CB 3.36Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.38Å; M107-V111 PolarHBondContact O-N 3.48Å; M107-Y211 HydrophobicContact CE-CD2 4.08Å; M107-Y211 HydrophobicContact CE-CE1 4.17Å; M107-Y211 HydrophobicContact CE-CE2 3.25Å; M107-Y211 WeakPolarHBondContact CE-OH 3.41Å; M107-Y211 HydrophobicContact CG-CE2 4.29Å; M107-Y211 HydrophobicContact SD-CE2 3.98Å
108	M	94.1	Very high	92.4	Very high	49 Å²	49	54.1 Å²	54.1	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-45.2	173.1	-175.1	-171.3	74	0	0	111.3	L104 F105 L110 V111 T112 F150 E151	L104-M108 WeakPolarHBondContact O-CB 3.47Å; L104-M108 PolarHBondContact O-N 3.11Å; F105-M108 HydrophobicContact CD2-CE 3.77Å; F105-M108 HydrophobicContact CE2-CE 3.7Å; F105-M108 HydrophobicContact CZ-CE 4.47Å; F105-M108 WeakPolarHBondContact O-CB 3.34Å; F105-M108 PolarHBondContact O-N 3.43Å; M108-L110 PolarHBondContact O-N 3.16Å; M108-V111 PolarHBondContact O-N 3.39Å; M108-T112 WeakPolarHBondContact O-CB 3.25Å; M108-T112 PolarHBondContact O-N 2.97Å; M108-T112 PolarHBondContact O-OG1 3.48Å; M108-F150 HydrophobicContact CE-CD1 4.05Å; M108-F150 HydrophobicContact CE-CE1 4.19Å; M108-F150 HydrophobicContact SD-CD1 4.46Å; M108-F150 HydrophobicContact SD-CE1 4.46Å; M108-E151 HydrophobicContact CE-CG 3.58Å
109	E	93.5	Very high	92.7	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-48.2	175.7	-68.2	-171.9	150.5	0	0	111.7	F105 G113 E151 K155 C209 R210	F105-E109 HydrophobicContact CD1-CG 4.34Å; F105-E109 HydrophobicContact CE1-CG 4.12Å; F105-E109 WeakPolarHBondContact CE1-OE1 3.42Å; F105-E109 WeakPolarHBondContact O-CG 3.43Å; F105-E109 PolarHBondContact O-N 2.8Å; E109-G113 PolarHBondContact O-N 2.88Å; E109-E151 VanDerWaalsContact CA-OE1 3.3Å; E109-E151 WeakPolarHBondContact CA-OE1 3.31Å; E109-E151 HydrophobicContact CG-CG 4.19Å; E109-K155 WeakPolarHBondContact OE1-CE 3.35Å; E109-K155 IonicContact OE1-NZ 2.83Å; E109-K155 PolarHBondContact OE1-NZ 3.18Å; E109-C209 PolarHBondContact O-SG 2.77Å; E109-R210 PolarHBondContact OE2-N 3.32Å
110	L	94.7	Very high	92.7	Very high	46 Å²	46	46.4 Å²	46.4	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-45.9	-177.7	179.5	63.6	0	0	0	112	Y106 M107 M108 G113 L114 L206 Y211	Y106-L110 PolarHBondContact O-N 2.85Å; Y106-L110 VanDerWaalsContact O-N 3.17Å; M107-L110 PolarHBondContact O-N 2.96Å; M107-L110 HydrophobicContact SD-CD2 4.44Å; M108-L110 PolarHBondContact O-N 3.16Å; L110-G113 PolarHBondContact O-N 2.82Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 PolarHBondContact O-N 2.97Å; L110-L206 HydrophobicContact CD1-CD1 3.81Å; L110-Y211 HydrophobicContact CB-CD2 4.25Å; L110-Y211 HydrophobicContact CD2-CD2 3.97Å
111	V	94.6	Very high	92.9	Very high	88 Å²	88	47.7 Å²	47.7	53%	0.533	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-42.8	-179.4	171.6	0	0	0	0	110.6	M107 M108 L114 L115	M107-V111 WeakPolarHBondContact O-CB 3.36Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.38Å; M107-V111 PolarHBondContact O-N 3.48Å; M108-V111 PolarHBondContact O-N 3.39Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L115 WeakPolarHBondContact O-CB 3.28Å; V111-L115 PolarHBondContact O-N 3.22Å
112	T	94.9	Very high	93.1	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-44.5	178.1	-52.3	0	0	0	0	111.1	M108 L115 L116 A144 L147 V148	M108-T112 WeakPolarHBondContact O-CB 3.25Å; M108-T112 PolarHBondContact O-N 2.97Å; M108-T112 PolarHBondContact O-OG1 3.48Å; T112-L115 PolarHBondContact O-N 3.44Å; T112-L116 PolarHBondContact O-N 3.24Å; T112-A144 HydrophobicContact CG2-CB 4.27Å; T112-A144 WeakPolarHBondContact CG2-O 3.47Å; T112-L147 HydrophobicContact CG2-CB 3.91Å; T112-L147 HydrophobicContact CG2-CD1 4.43Å; T112-V148 HydrophobicContact CG2-CG2 3.71Å
113	G	94.3	Very high	93	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-46.5	175	0	0	0	0	0	112.6	E109 L110 L115 L116 L117	E109-G113 PolarHBondContact O-N 2.88Å; L110-G113 PolarHBondContact O-N 2.82Å; G113-L115 PolarHBondContact O-N 3.5Å; G113-L116 PolarHBondContact O-N 3.35Å; G113-L117 WeakPolarHBondContact O-CD1 3.32Å; G113-L117 PolarHBondContact O-N 2.88Å
114	L	94.5	Very high	92.7	Very high	89 Å²	89	40.1 Å²	40.1	47%	0.466	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-41.5	177.9	-166.4	82.4	0	0	0	111.7	L110 V111 L117 M118	L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 PolarHBondContact O-N 2.97Å; V111-L114 PolarHBondContact O-N 3.19Å; L114-L117 PolarHBondContact O-N 3.47Å; L114-M118 HydrophobicContact CG-CG 4.39Å; L114-M118 WeakPolarHBondContact O-CB 3.29Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.44Å; L114-M118 PolarHBondContact O-N 3.28Å
115	L	93.9	Very high	92.4	Very high	80 Å²	80	35.5 Å²	35.5	42%	0.419	19%	0.194	S	C	.	.	H	α-helix	trans	-63	-42.6	178.6	-177.7	146.1	0	0	0	111.5	V111 T112 G113 L117 M118 L119 A144	V111-L115 WeakPolarHBondContact O-CB 3.28Å; V111-L115 PolarHBondContact O-N 3.22Å; T112-L115 PolarHBondContact O-N 3.44Å; G113-L115 PolarHBondContact O-N 3.5Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.94Å; L115-M118 PolarHBondContact O-N 3.47Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 3.2Å; L115-A144 HydrophobicContact CD2-CB 3.74Å
116	L	94.1	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-37.7	175.3	-80.6	169.1	0	0	0	112.8	T112 G113 E141 A144 L145 V148 R202 F205	T112-L116 PolarHBondContact O-N 3.24Å; G113-L116 PolarHBondContact O-N 3.35Å; L116-E141 HydrophobicContact CD2-CG 4.5Å; L116-A144 HydrophobicContact CD1-CB 4.42Å; L116-A144 HydrophobicContact CD2-CB 3.65Å; L116-A144 HydrophobicContact CG-CB 3.8Å; L116-L145 HydrophobicContact CD1-CD2 4.42Å; L116-L145 HydrophobicContact CD2-CD2 4.24Å; L116-L145 HydrophobicContact CD2-CG 4.46Å; L116-V148 HydrophobicContact CD1-CG2 4Å; L116-R202 WeakPolarHBondContact O-CD 3.26Å; L116-F205 HydrophobicContact CD1-CB 4.43Å; L116-F205 HydrophobicContact CD1-CD2 3.74Å; L116-F205 HydrophobicContact CD1-CE2 4.24Å; L116-F205 HydrophobicContact CD1-CG 4.18Å
117	L	94	Very high	91.8	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-71.7	-45.1	175.8	-88.3	73.7	0	0	0	111.1	G113 L114 L115 L119 S120 R202 L206 Y576	G113-L117 WeakPolarHBondContact O-CD1 3.32Å; G113-L117 PolarHBondContact O-N 2.88Å; L114-L117 PolarHBondContact O-N 3.47Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.94Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-S120 WeakPolarHBondContact O-CB 3.47Å; L117-S120 PolarHBondContact O-N 3.39Å; L117-S120 PolarHBondContact O-OG 2.84Å; L117-R202 HydrophobicContact CD1-CB 4.33Å; L117-L206 HydrophobicContact CD1-CB 4.3Å; L117-L206 HydrophobicContact CD2-CD2 3.96Å; L117-Y576 HydrophobicContact CB-CE2 4.22Å; L117-Y576 HydrophobicContact CD2-CD2 4.42Å; L117-Y576 HydrophobicContact CG-CD2 4.41Å; L117-Y576 HydrophobicContact CG-CE2 4.06Å
118	M	93.1	Very high	91.4	Very high	104 Å²	104	37.3 Å²	37.3	51%	0.512	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-24.1	179.4	-71	-62.2	-163.4	0	0	112.8	L114 L115 S120 L121	L114-M118 HydrophobicContact CG-CG 4.39Å; L114-M118 WeakPolarHBondContact O-CB 3.29Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.44Å; L114-M118 PolarHBondContact O-N 3.28Å; L115-M118 PolarHBondContact O-N 3.47Å; M118-S120 PolarHBondContact O-N 2.84Å; M118-S120 VanDerWaalsContact O-N 3.14Å; M118-L121 HydrophobicContact CB-CD1 4.26Å; M118-L121 VanDerWaalsContact O-CB 3.32Å; M118-L121 WeakPolarHBondContact O-CB 3.11Å; M118-L121 WeakPolarHBondContact O-CD1 3.29Å; M118-L121 PolarHBondContact O-N 2.87Å; M118-L121 HydrophobicContact SD-CD1 3.44Å; M118-L121 WeakPolarHBondContact SD-CD1 3.28Å
119	L	93.6	Very high	91.1	Very high	10 Å²	10	40 Å²	40	5%	0.052	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.6	175.8	-166	63.9	0	0	0	112.6	L115 L117 L121 C122 E123 H137 L140 E141	L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 3.2Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-L121 PolarHBondContact O-N 3.38Å; L119-L121 VanDerWaalsContact O-N 3.16Å; L119-C122 PolarHBondContact O-N 2.91Å; L119-E123 WeakPolarHBondContact CD2-OE1 3.16Å; L119-E123 HydrophobicContact CG-CG 4.08Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 3.46Å; L119-H137 HydrophobicContact CD1-CB 4.15Å; L119-L140 HydrophobicContact CD1-CB 4.24Å; L119-L140 HydrophobicContact CD1-CD1 4.4Å; L119-E141 HydrophobicContact CD2-CB 3.6Å; L119-E141 HydrophobicContact CD2-CG 4.15Å
120	S	90.8	Very high	91	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60	-21.4	174.3	65.8	0	0	0	0	114.2	L117 M118 C122	L117-S120 WeakPolarHBondContact O-CB 3.47Å; L117-S120 PolarHBondContact O-N 3.39Å; L117-S120 PolarHBondContact O-OG 2.84Å; M118-S120 PolarHBondContact O-N 2.84Å; M118-S120 VanDerWaalsContact O-N 3.14Å; S120-C122 VanDerWaalsContact C-N 3.3Å
121	L	92.3	Very high	90.7	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.168	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-69.7	-29.1	175.4	-72.8	145.7	0	0	0	112.6	M118 L119 V127 L130 I630 L631	M118-L121 HydrophobicContact CB-CD1 4.26Å; M118-L121 VanDerWaalsContact O-CB 3.32Å; M118-L121 WeakPolarHBondContact O-CB 3.11Å; M118-L121 WeakPolarHBondContact O-CD1 3.29Å; M118-L121 PolarHBondContact O-N 2.87Å; M118-L121 HydrophobicContact SD-CD1 3.44Å; M118-L121 WeakPolarHBondContact SD-CD1 3.28Å; L119-L121 PolarHBondContact O-N 3.38Å; L119-L121 VanDerWaalsContact O-N 3.16Å; L121-V127 HydrophobicContact CD2-CG2 4.1Å; L121-V127 PolarHBondContact O-N 3.05Å; L121-V127 VanDerWaalsContact O-N 3.13Å; L121-L130 HydrophobicContact CB-CD1 4.5Å; L121-I630 HydrophobicContact CD2-CG2 3.64Å; L121-I630 HydrophobicContact CG-CG2 3.94Å; L121-L631 HydrophobicContact CD2-CD1 4.19Å; L121-L631 HydrophobicContact CD2-CD2 3.96Å; L121-L631 HydrophobicContact CD2-CG 3.99Å
122	C	91.4	Very high	90.6	Very high	23 Å²	23	49.5 Å²	49.5	16%	0.155	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-22.4	-172.4	-55.1	0	0	0	0	113.3	L119 S120 A126 L130 L132	L119-C122 PolarHBondContact O-N 2.91Å; S120-C122 VanDerWaalsContact C-N 3.3Å; C122-A126 WeakPolarHBondContact O-CB 3.18Å; C122-L130 WeakPolarHBondContact CA-O 3.32Å; C122-L130 WeakPolarHBondContact CB-O 3.45Å; C122-L130 PolarHBondContact SG-O 3.46Å; C122-L132 HydrophobicContact CB-CB 4.31Å; C122-L132 HydrophobicContact CB-CD1 3.74Å; C122-L132 HydrophobicContact CB-CG 3.91Å; C122-L132 PolarHBondContact O-N 3.35Å
123	E	87.6	Confident	90.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-80.4	147	179.6	-66.6	171	161.7	0	0	111.2	L119 P125 A126 H137 R196 R199 R202	L119-E123 WeakPolarHBondContact CD2-OE1 3.16Å; L119-E123 HydrophobicContact CG-CG 4.08Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 3.46Å; E123-P125 CarbonylContact O-C 3.6Å; E123-P125 VanDerWaalsContact O-O 3.14Å; E123-A126 VanDerWaalsContact O-CA 3.23Å; E123-A126 WeakPolarHBondContact O-CA 3.26Å; E123-A126 WeakPolarHBondContact O-CB 3.38Å; E123-A126 PolarHBondContact O-N 2.98Å; E123-H137 HydrophobicContact CG-CB 4.15Å; E123-R196 IonicContact OE1-NH1 2.81Å; E123-R196 PolarHBondContact OE1-NH1 2.95Å; E123-R199 VanDerWaalsContact OE2-CD 3.24Å; E123-R199 WeakPolarHBondContact OE2-CD 3.34Å; E123-R199 IonicContact OE2-CZ 3.97Å; E123-R199 IonicContact OE2-NE 3.62Å; E123-R199 PolarHBondContact OE2-NE 3.08Å; E123-R199 IonicContact OE2-NH1 2.8Å; E123-R199 PolarHBondContact OE2-NH1 3.03Å; E123-R202 IonicContact OE1-CZ 3.8Å; E123-R202 IonicContact OE1-NH1 2.69Å; E123-R202 PolarHBondContact OE1-NH1 3.46Å; E123-R202 IonicContact OE1-NH2 3.72Å; E123-R202 PolarHBondContact OE1-NH2 2.99Å; E123-R202 IonicContact OE2-CZ 3.37Å; E123-R202 IonicContact OE2-NH1 3.27Å; E123-R202 PolarHBondContact OE2-NH1 3.44Å; E123-R202 IonicContact OE2-NH2 2.71Å; E123-R202 PolarHBondContact OE2-NH2 3.03Å
124	A	83.6	Confident	90.2	Very high	39 Å²	39	55.4 Å²	55.4	32%	0.322	31%	0.306	S	S	.	.	S	Bend	trans	-60.1	135.7	173.3	0	0	0	0	0	111.3	R199	A124-R199 PolarHBondContact O-NH1 2.96Å; A124-R199 PolarHBondContact O-NH2 2.66Å
125	P	86.8	Confident	90.1	Very high	31 Å²	31	56.8 Å²	56.8	20%	0.201	31%	0.306	C	S	.	.	S	Bend	cis	-74.1	118.9	-7.9	31.7	-33.3	0	0	0	111.7	E123 M583 A587 N628	E123-P125 CarbonylContact O-C 3.6Å; E123-P125 VanDerWaalsContact O-O 3.14Å; P125-M583 HydrophobicContact CG-CB 3.74Å; P125-M583 HydrophobicContact CG-CG 4.26Å; P125-M583 HydrophobicContact CG-SD 4.09Å; P125-A587 HydrophobicContact CB-CB 4.4Å; P125-A587 HydrophobicContact CG-CB 4.4Å; P125-N628 WeakPolarHBondContact CB-O 3.28Å
126	A	84.9	Confident	90.1	Very high	19 Å²	19	55 Å²	55	16%	0.157	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-103.5	153.9	-165.4	0	0	0	0	0	111.7	C122 E123 P128 R131	C122-A126 WeakPolarHBondContact O-CB 3.18Å; E123-A126 VanDerWaalsContact O-CA 3.23Å; E123-A126 WeakPolarHBondContact O-CA 3.26Å; E123-A126 WeakPolarHBondContact O-CB 3.38Å; E123-A126 PolarHBondContact O-N 2.98Å; A126-P128 WeakPolarHBondContact O-CD 3.41Å; A126-R131 HydrophobicContact CB-CB 4.1Å; A126-R131 HydrophobicContact CB-CG 4.14Å
127	V	88.6	Confident	90	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.8	126.1	167.4	-178.7	0	0	0	0	108.2	L121 S129 L130 R131 D629 L631	L121-V127 HydrophobicContact CD2-CG2 4.1Å; L121-V127 PolarHBondContact O-N 3.05Å; L121-V127 VanDerWaalsContact O-N 3.13Å; V127-S129 PolarHBondContact O-N 2.91Å; V127-L130 HydrophobicContact CB-CB 4.42Å; V127-L130 HydrophobicContact CB-CD1 4.47Å; V127-L130 PolarHBondContact O-N 2.84Å; V127-R131 PolarHBondContact O-N 2.89Å; V127-D629 HydrophobicContact CG2-CB 4.11Å; V127-L631 HydrophobicContact CG2-CD1 3.99Å; V127-L631 HydrophobicContact CG2-CG 4.2Å
128	P	85.5	Confident	90	Very high	114 Å²	114	54 Å²	54	74%	0.74	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.2	-170.7	-29.9	34.9	0	0	0	115	A126	A126-P128 WeakPolarHBondContact O-CD 3.41Å
129	S	87.1	Confident	90	Very high	105 Å²	105	52.5 Å²	52.5	73%	0.734	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-18	178.9	58.1	0	0	0	0	114.8	V127	V127-S129 PolarHBondContact O-N 2.91Å
130	L	90.1	Very high	90	Very high	84 Å²	84	55.2 Å²	55.2	44%	0.44	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	9.1	-173.7	-69.8	164.9	0	0	0	112.6	L121 C122 V127 L132	L121-L130 HydrophobicContact CB-CD1 4.5Å; C122-L130 WeakPolarHBondContact CA-O 3.32Å; C122-L130 WeakPolarHBondContact CB-O 3.45Å; C122-L130 PolarHBondContact SG-O 3.46Å; V127-L130 HydrophobicContact CB-CB 4.42Å; V127-L130 HydrophobicContact CB-CD1 4.47Å; V127-L130 PolarHBondContact O-N 2.84Å; L130-L132 PolarHBondContact O-N 2.63Å
131	R	90.3	Very high	90.3	Very high	190 Å²	190	55 Å²	55	72%	0.717	30%	0.302	S	S	*	.			trans	-62.6	123.9	-177.9	-175.1	174.8	177.7	154.3	-0	110.7	A126 V127	A126-R131 HydrophobicContact CB-CB 4.1Å; A126-R131 HydrophobicContact CB-CG 4.14Å; V127-R131 PolarHBondContact O-N 2.89Å
132	L	90.8	Very high	90.4	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.346	30%	0.304	S	S	.	.			trans	-106.7	154.1	174.5	-66.9	176.8	0	0	0	110.7	C122 L130 V136 H137 L140	C122-L132 HydrophobicContact CB-CB 4.31Å; C122-L132 HydrophobicContact CB-CD1 3.74Å; C122-L132 HydrophobicContact CB-CG 3.91Å; C122-L132 PolarHBondContact O-N 3.35Å; L130-L132 PolarHBondContact O-N 2.63Å; L132-V136 HydrophobicContact CB-CB 4.44Å; L132-V136 HydrophobicContact CD1-CG1 4.18Å; L132-V136 HydrophobicContact CD2-CG1 4.47Å; L132-H137 HydrophobicContact CB-CB 4.45Å; L132-L140 HydrophobicContact CD1-CD1 4.35Å
133	D	91.4	Very high	90.6	Very high	97 Å²	97	59.1 Å²	59.1	52%	0.519	32%	0.322	S	S	.	.			trans	-64.5	153.5	172.2	-71.5	-21.7	0	0	0	111.6	Y135 V136 H137	D133-Y135 VanDerWaalsContact C-N 3.33Å; D133-Y135 HydrophobicContact CB-CD1 3.8Å; D133-Y135 HydrophobicContact CB-CE1 3.26Å; D133-Y135 PolarHBondContact O-N 2.88Å; D133-Y135 WeakPolarHBondContact OD2-CE1 3.48Å; D133-Y135 PolarHBondContact OD2-OH 2.89Å; D133-V136 HydrophobicContact CB-CG2 4.14Å; D133-V136 WeakPolarHBondContact O-CB 3.45Å; D133-V136 PolarHBondContact O-N 3.41Å; D133-H137 PolarHBondContact O-CD2 3.09Å; D133-H137 VanDerWaalsContact O-CD2 3.3Å; D133-H137 PolarHBondContact O-N 3.31Å
134	V	90.6	Very high	91	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.218	32%	0.323	C	S	.	.	H	α-helix	trans	-57.2	-44.7	-171.9	-178.1	0	0	0	0	112.7	V136 H137 A138 V187	V134-V136 VanDerWaalsContact C-N 3.34Å; V134-V136 PolarHBondContact O-N 3.33Å; V134-H137 WeakPolarHBondContact CA-NE2 3.41Å; V134-A138 WeakPolarHBondContact O-CB 3.48Å; V134-A138 PolarHBondContact O-N 3.05Å; V134-V187 HydrophobicContact CG1-CG1 3.78Å
135	Y	92.1	Very high	91.6	Very high	117 Å²	117	57.4 Å²	57.4	46%	0.459	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-32.5	179.1	62.9	-88.5	0	0	0	112.7	D133 T139	D133-Y135 VanDerWaalsContact C-N 3.33Å; D133-Y135 HydrophobicContact CB-CD1 3.8Å; D133-Y135 HydrophobicContact CB-CE1 3.26Å; D133-Y135 PolarHBondContact O-N 2.88Å; D133-Y135 WeakPolarHBondContact OD2-CE1 3.48Å; D133-Y135 PolarHBondContact OD2-OH 2.89Å; Y135-T139 WeakPolarHBondContact O-CB 3.36Å; Y135-T139 WeakPolarHBondContact O-CG2 3.28Å; Y135-T139 PolarHBondContact O-N 2.84Å; Y135-T139 PolarHBondContact O-OG1 2.93Å
136	V	93.6	Very high	92	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-53.1	-179.8	-179.1	0	0	0	0	110	L132 D133 V134 A138 T139 L140	L132-V136 HydrophobicContact CB-CB 4.44Å; L132-V136 HydrophobicContact CD1-CG1 4.18Å; L132-V136 HydrophobicContact CD2-CG1 4.47Å; D133-V136 HydrophobicContact CB-CG2 4.14Å; D133-V136 WeakPolarHBondContact O-CB 3.45Å; D133-V136 PolarHBondContact O-N 3.41Å; V134-V136 VanDerWaalsContact C-N 3.34Å; V134-V136 PolarHBondContact O-N 3.33Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 2.67Å; V136-T139 PolarHBondContact O-N 3.29Å; V136-T139 PolarHBondContact O-OG1 2.98Å; V136-L140 HydrophobicContact CG1-CD1 4.21Å; V136-L140 WeakPolarHBondContact O-CG 3.26Å; V136-L140 PolarHBondContact O-N 3.34Å; V136-L140 VanDerWaalsContact O-N 3.09Å
137	H	92.8	Very high	92.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-69.3	-34.3	-178.7	72.3	71.4	0	0	0	111.7	L119 E123 L132 D133 V134 L140 E141	L119-H137 HydrophobicContact CD1-CB 4.15Å; E123-H137 HydrophobicContact CG-CB 4.15Å; L132-H137 HydrophobicContact CB-CB 4.45Å; D133-H137 PolarHBondContact O-CD2 3.09Å; D133-H137 VanDerWaalsContact O-CD2 3.3Å; D133-H137 PolarHBondContact O-N 3.31Å; V134-H137 WeakPolarHBondContact CA-NE2 3.41Å; H137-L140 PolarHBondContact O-N 3.27Å; H137-E141 WeakPolarHBondContact O-CB 3.42Å; H137-E141 PolarHBondContact O-N 2.87Å
138	A	92.4	Very high	92.9	Very high	1 Å²	1	62 Å²	62	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-37.2	177.2	0	0	0	0	0	112.7	V134 V136 E141 L142 V187 L188	V134-A138 WeakPolarHBondContact O-CB 3.48Å; V134-A138 PolarHBondContact O-N 3.05Å; V136-A138 VanDerWaalsContact C-N 3.34Å; V136-A138 PolarHBondContact O-N 2.67Å; A138-E141 PolarHBondContact O-N 3.32Å; A138-L142 WeakPolarHBondContact O-CB 3.35Å; A138-L142 PolarHBondContact O-N 3.12Å; A138-V187 HydrophobicContact CB-CG1 4.44Å; A138-L188 HydrophobicContact CB-CB 4.25Å; A138-L188 HydrophobicContact CB-CD1 4.11Å
139	T	94	Very high	93.4	Very high	72 Å²	72	57.5 Å²	57.5	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-71.4	-37.5	175.5	51	0	0	0	0	112.3	Y135 V136 L142 L143 L188	Y135-T139 WeakPolarHBondContact O-CB 3.36Å; Y135-T139 WeakPolarHBondContact O-CG2 3.28Å; Y135-T139 PolarHBondContact O-N 2.84Å; Y135-T139 PolarHBondContact O-OG1 2.93Å; V136-T139 PolarHBondContact O-N 3.29Å; V136-T139 PolarHBondContact O-OG1 2.98Å; T139-L142 PolarHBondContact O-N 2.99Å; T139-L143 WeakPolarHBondContact O-CB 3.34Å; T139-L143 PolarHBondContact O-N 3.46Å; T139-L188 HydrophobicContact CG2-CD1 4.21Å
140	L	94.4	Very high	93.7	Very high	67 Å²	67	56.3 Å²	56.3	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-41.8	171.3	-70.7	173.9	0	0	0	112.1	L119 L132 V136 H137 L143 A144	L119-L140 HydrophobicContact CD1-CB 4.24Å; L119-L140 HydrophobicContact CD1-CD1 4.4Å; L132-L140 HydrophobicContact CD1-CD1 4.35Å; V136-L140 HydrophobicContact CG1-CD1 4.21Å; V136-L140 WeakPolarHBondContact O-CG 3.26Å; V136-L140 PolarHBondContact O-N 3.34Å; V136-L140 VanDerWaalsContact O-N 3.09Å; H137-L140 PolarHBondContact O-N 3.27Å; L140-L143 PolarHBondContact O-N 3.45Å; L140-A144 WeakPolarHBondContact O-CB 3.22Å; L140-A144 PolarHBondContact O-N 3.26Å
141	E	95.3	Very high	93.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-49.8	174.3	-170.9	170.4	-172.7	0	0	110.9	L116 L119 H137 A138 L143 A144 L145 A184 R196 R202	L116-E141 HydrophobicContact CD2-CG 4.5Å; L119-E141 HydrophobicContact CD2-CB 3.6Å; L119-E141 HydrophobicContact CD2-CG 4.15Å; H137-E141 WeakPolarHBondContact O-CB 3.42Å; H137-E141 PolarHBondContact O-N 2.87Å; A138-E141 PolarHBondContact O-N 3.32Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.21Å; E141-A144 PolarHBondContact O-N 3.06Å; E141-A144 VanDerWaalsContact O-N 3.16Å; E141-L145 HydrophobicContact CG-CD1 3.97Å; E141-L145 HydrophobicContact CG-CG 4.34Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.29Å; E141-L145 PolarHBondContact O-N 3.23Å; E141-A184 HydrophobicContact CG-CB 4.24Å; E141-R196 IonicContact OE1-CZ 3.2Å; E141-R196 IonicContact OE1-NH1 3.8Å; E141-R196 IonicContact OE1-NH2 2.93Å; E141-R196 PolarHBondContact OE1-NH2 2.77Å; E141-R196 IonicContact OE2-CZ 3.72Å; E141-R196 VanDerWaalsContact OE2-CZ 3.27Å; E141-R196 IonicContact OE2-NH1 3.51Å; E141-R196 PolarHBondContact OE2-NH1 3.01Å; E141-R196 IonicContact OE2-NH2 3.64Å; E141-R196 PolarHBondContact OE2-NH2 3.23Å; E141-R202 IonicContact OE1-CZ 2.72Å; E141-R202 IonicContact OE1-NE 3.87Å; E141-R202 IonicContact OE1-NH2 2.64Å; E141-R202 PolarHBondContact OE1-NH2 3.39Å; E141-R202 IonicContact OE2-NH2 3.27Å; E141-R202 PolarHBondContact OE2-NH2 2.73Å
142	L	95.1	Very high	94	Very high	40 Å²	40	44 Å²	44	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-40.3	-179.3	-169	136	0	0	0	112	A138 T139 A144 L145 L146 F181 I185	A138-L142 WeakPolarHBondContact O-CB 3.35Å; A138-L142 PolarHBondContact O-N 3.12Å; T139-L142 PolarHBondContact O-N 2.99Å; L142-A144 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 3.39Å; L142-L146 HydrophobicContact CD2-CD1 3.69Å; L142-L146 HydrophobicContact CD2-CG 4.26Å; L142-L146 WeakPolarHBondContact O-CB 3.33Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.36Å; L142-L146 PolarHBondContact O-N 2.9Å; L142-F181 HydrophobicContact CD1-CE2 4.14Å; L142-F181 HydrophobicContact CG-CE2 4.07Å; L142-I185 HydrophobicContact CD1-CG1 3.9Å
143	L	95.4	Very high	94.2	Very high	101 Å²	101	44.7 Å²	44.7	53%	0.529	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-45.8	173.7	-179.9	66.8	0	0	0	111.6	T139 L140 E141 L146 L147	T139-L143 WeakPolarHBondContact O-CB 3.34Å; T139-L143 PolarHBondContact O-N 3.46Å; L140-L143 PolarHBondContact O-N 3.45Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.21Å; L143-L146 PolarHBondContact O-N 3.31Å; L143-L147 PolarHBondContact O-N 3.19Å; L143-L147 VanDerWaalsContact O-N 3.11Å
144	A	95.9	Very high	94.2	Very high	3 Å²	3	42 Å²	42	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-41	179.2	0	0	0	0	0	112.1	T112 L115 L116 L140 E141 L142 L146 L147 V148	T112-A144 HydrophobicContact CG2-CB 4.27Å; T112-A144 WeakPolarHBondContact CG2-O 3.47Å; L115-A144 HydrophobicContact CD2-CB 3.74Å; L116-A144 HydrophobicContact CD1-CB 4.42Å; L116-A144 HydrophobicContact CD2-CB 3.65Å; L116-A144 HydrophobicContact CG-CB 3.8Å; L140-A144 WeakPolarHBondContact O-CB 3.22Å; L140-A144 PolarHBondContact O-N 3.26Å; E141-A144 PolarHBondContact O-N 3.06Å; E141-A144 VanDerWaalsContact O-N 3.16Å; L142-A144 PolarHBondContact O-N 3.4Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 3.16Å; A144-L147 WeakPolarHBondContact O-CB 3.32Å; A144-L147 PolarHBondContact O-N 3.12Å; A144-V148 WeakPolarHBondContact O-CG2 3.28Å; A144-V148 PolarHBondContact O-N 2.96Å
145	L	96.2	Very high	94.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-35.9	175.3	-65.4	173.6	0	0	0	111.8	L116 E141 L142 V148 G149 L177 Q180 F181 A184 F205	L116-L145 HydrophobicContact CD1-CD2 4.42Å; L116-L145 HydrophobicContact CD2-CD2 4.24Å; L116-L145 HydrophobicContact CD2-CG 4.46Å; E141-L145 HydrophobicContact CG-CD1 3.97Å; E141-L145 HydrophobicContact CG-CG 4.34Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.29Å; E141-L145 PolarHBondContact O-N 3.23Å; L142-L145 PolarHBondContact O-N 3.39Å; L145-V148 PolarHBondContact O-N 3.26Å; L145-G149 PolarHBondContact O-N 2.99Å; L145-L177 HydrophobicContact CB-CD1 3.92Å; L145-L177 HydrophobicContact CD2-CD1 3.86Å; L145-L177 HydrophobicContact CG-CD1 4.45Å; L145-L177 WeakPolarHBondContact O-CD1 3.45Å; L145-Q180 HydrophobicContact CD1-CB 4.04Å; L145-Q180 HydrophobicContact CD2-CB 4.07Å; L145-F181 HydrophobicContact CB-CD2 4.33Å; L145-F181 HydrophobicContact CD1-CB 4.39Å; L145-A184 HydrophobicContact CD1-CB 4.19Å; L145-F205 HydrophobicContact CD2-CE2 4.38Å; L145-F205 HydrophobicContact CD2-CZ 4.41Å
146	L	96.1	Very high	94	Very high	94 Å²	94	38.8 Å²	38.8	49%	0.492	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-39.2	172.9	-74.7	173.6	0	0	0	112.3	L142 L143 A144 G149 F150 F181	L142-L146 HydrophobicContact CD2-CD1 3.69Å; L142-L146 HydrophobicContact CD2-CG 4.26Å; L142-L146 WeakPolarHBondContact O-CB 3.33Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.36Å; L142-L146 PolarHBondContact O-N 2.9Å; L143-L146 PolarHBondContact O-N 3.31Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 3.16Å; L146-G149 PolarHBondContact O-N 3.45Å; L146-F150 PolarHBondContact O-N 3.32Å; L146-F181 HydrophobicContact CD2-CE2 4.12Å; L146-F181 HydrophobicContact CG-CE2 4.46Å
147	L	95.6	Very high	93.9	Very high	67 Å²	67	44.9 Å²	44.9	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-43	173.4	-70.4	172.5	0	0	0	111.5	T112 L143 A144 G149 F150 E151	T112-L147 HydrophobicContact CG2-CB 3.91Å; T112-L147 HydrophobicContact CG2-CD1 4.43Å; L143-L147 PolarHBondContact O-N 3.19Å; L143-L147 VanDerWaalsContact O-N 3.11Å; A144-L147 WeakPolarHBondContact O-CB 3.32Å; A144-L147 PolarHBondContact O-N 3.12Å; L147-G149 VanDerWaalsContact C-N 3.31Å; L147-G149 PolarHBondContact O-N 3.09Å; L147-F150 WeakPolarHBondContact O-CB 3.22Å; L147-F150 PolarHBondContact O-N 2.99Å; L147-E151 WeakPolarHBondContact O-CG 3.31Å; L147-E151 PolarHBondContact O-N 3.36Å
148	V	95.8	Very high	93.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-38.9	173.4	177	0	0	0	0	111.6	T112 L116 A144 L145 E151 L152 L177 F205	T112-V148 HydrophobicContact CG2-CG2 3.71Å; L116-V148 HydrophobicContact CD1-CG2 4Å; A144-V148 WeakPolarHBondContact O-CG2 3.28Å; A144-V148 PolarHBondContact O-N 2.96Å; L145-V148 PolarHBondContact O-N 3.26Å; V148-E151 WeakPolarHBondContact O-CB 3.31Å; V148-E151 PolarHBondContact O-N 2.91Å; V148-L152 PolarHBondContact O-N 3.15Å; V148-L152 VanDerWaalsContact O-N 3.08Å; V148-L177 HydrophobicContact CB-CD1 4.16Å; V148-L177 HydrophobicContact CG1-CD1 4.1Å; V148-L177 HydrophobicContact CG1-CD2 4.43Å; V148-F205 HydrophobicContact CG1-CD1 3.77Å; V148-F205 HydrophobicContact CG1-CE1 3.74Å; V148-F205 HydrophobicContact CG2-CD1 4.37Å
149	G	95.9	Very high	93.3	Very high	18 Å²	18	48 Å²	48	19%	0.186	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.1	173	0	0	0	0	0	112	L145 L146 L147 E151 L152 C153	L145-G149 PolarHBondContact O-N 2.99Å; L146-G149 PolarHBondContact O-N 3.45Å; L147-G149 VanDerWaalsContact C-N 3.31Å; L147-G149 PolarHBondContact O-N 3.09Å; G149-E151 VanDerWaalsContact C-N 3.35Å; G149-E151 PolarHBondContact O-N 2.7Å; G149-L152 PolarHBondContact O-N 3.43Å; G149-C153 PolarHBondContact O-N 2.98Å; G149-C153 PolarHBondContact O-SG 3.47Å
150	F	95.1	Very high	92.9	Very high	81 Å²	81	46 Å²	46	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-42	174.8	173.1	-98.5	0	0	0	112.4	F99 M108 L146 L147 L152 C153 M154	F99-F150 HydrophobicContact CE1-CZ 4.44Å; F99-F150 HydrophobicContact CZ-CZ 4.25Å; M108-F150 HydrophobicContact CE-CD1 4.05Å; M108-F150 HydrophobicContact CE-CE1 4.19Å; M108-F150 HydrophobicContact SD-CD1 4.46Å; M108-F150 HydrophobicContact SD-CE1 4.46Å; L146-F150 PolarHBondContact O-N 3.32Å; L147-F150 WeakPolarHBondContact O-CB 3.22Å; L147-F150 PolarHBondContact O-N 2.99Å; F150-L152 PolarHBondContact O-N 3.26Å; F150-C153 PolarHBondContact O-N 2.9Å; F150-M154 HydrophobicContact CD2-CE 4.27Å; F150-M154 HydrophobicContact CE1-CG 4.2Å; F150-M154 HydrophobicContact CE2-CE 3.32Å; F150-M154 HydrophobicContact CE2-CG 4.23Å; F150-M154 HydrophobicContact CZ-CE 3.47Å; F150-M154 VanDerWaalsContact CZ-CE 3.47Å; F150-M154 HydrophobicContact CZ-CG 4.01Å; F150-M154 WeakPolarHBondContact O-CG 3.36Å; F150-M154 PolarHBondContact O-N 3.47Å
151	E	92.8	Very high	92.6	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-47	174.1	-67.4	167.2	-169.7	0	0	112.2	F105 M108 E109 L147 V148 G149 C153 M154 K155 K173	F105-E151 HydrophobicContact CE2-CG 4.4Å; F105-E151 HydrophobicContact CZ-CB 4.06Å; F105-E151 HydrophobicContact CZ-CG 4.1Å; M108-E151 HydrophobicContact CE-CG 3.58Å; E109-E151 VanDerWaalsContact CA-OE1 3.3Å; E109-E151 WeakPolarHBondContact CA-OE1 3.31Å; E109-E151 HydrophobicContact CG-CG 4.19Å; L147-E151 WeakPolarHBondContact O-CG 3.31Å; L147-E151 PolarHBondContact O-N 3.36Å; V148-E151 WeakPolarHBondContact O-CB 3.31Å; V148-E151 PolarHBondContact O-N 2.91Å; G149-E151 VanDerWaalsContact C-N 3.35Å; G149-E151 PolarHBondContact O-N 2.7Å; E151-C153 VanDerWaalsContact C-N 3.35Å; E151-M154 PolarHBondContact O-N 3.31Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.02Å; E151-K173 IonicContact OE2-NZ 3.21Å; E151-K173 PolarHBondContact OE2-NZ 3Å
152	L	93.3	Very high	92.3	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-40	179.6	-73.1	-179.1	0	0	0	111.4	V148 G149 F150 M154 K155 L156 F164 K173 A174 L177	V148-L152 PolarHBondContact O-N 3.15Å; V148-L152 VanDerWaalsContact O-N 3.08Å; G149-L152 PolarHBondContact O-N 3.43Å; F150-L152 PolarHBondContact O-N 3.26Å; L152-M154 VanDerWaalsContact C-N 3.32Å; L152-M154 PolarHBondContact O-N 2.91Å; L152-K155 PolarHBondContact O-N 3.04Å; L152-L156 WeakPolarHBondContact O-CB 3.36Å; L152-L156 PolarHBondContact O-N 3.24Å; L152-F164 HydrophobicContact CB-CZ 4.49Å; L152-F164 HydrophobicContact CD2-CE2 4.3Å; L152-F164 HydrophobicContact CD2-CZ 4.25Å; L152-K173 HydrophobicContact CD1-CG 4.48Å; L152-K173 HydrophobicContact CD2-CD 3.98Å; L152-K173 HydrophobicContact CD2-CG 4.37Å; L152-A174 HydrophobicContact CD1-CB 4.13Å; L152-L177 HydrophobicContact CD1-CD2 3.74Å
153	C	93.8	Very high	92	Very high	81 Å²	81	59.9 Å²	59.9	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-41.4	174.1	-71	0	0	0	0	112.1	G149 F150 E151 L156 R157	G149-C153 PolarHBondContact O-N 2.98Å; G149-C153 PolarHBondContact O-SG 3.47Å; F150-C153 PolarHBondContact O-N 2.9Å; E151-C153 VanDerWaalsContact C-N 3.35Å; C153-L156 PolarHBondContact O-N 2.77Å; C153-R157 PolarHBondContact O-N 3.13Å
154	M	91.6	Very high	91.7	Very high	41 Å²	41	56 Å²	56	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-38.5	177.1	-70.9	-64.5	176.7	0	0	112.3	F99 F105 F150 E151 L152 R157 W158	F99-M154 HydrophobicContact CD1-CG 4.33Å; F99-M154 HydrophobicContact CD1-SD 4.04Å; F99-M154 HydrophobicContact CE1-CB 4.41Å; F99-M154 HydrophobicContact CE1-CE 4.15Å; F99-M154 HydrophobicContact CE1-CG 3.81Å; F99-M154 HydrophobicContact CE1-SD 3.8Å; F99-M154 HydrophobicContact CZ-CE 4.48Å; F105-M154 HydrophobicContact CE2-CB 4.19Å; F105-M154 HydrophobicContact CZ-CB 4.34Å; F150-M154 HydrophobicContact CD2-CE 4.27Å; F150-M154 HydrophobicContact CE1-CG 4.2Å; F150-M154 HydrophobicContact CE2-CE 3.32Å; F150-M154 HydrophobicContact CE2-CG 4.23Å; F150-M154 HydrophobicContact CZ-CE 3.47Å; F150-M154 VanDerWaalsContact CZ-CE 3.47Å; F150-M154 HydrophobicContact CZ-CG 4.01Å; F150-M154 WeakPolarHBondContact O-CG 3.36Å; F150-M154 PolarHBondContact O-N 3.47Å; E151-M154 PolarHBondContact O-N 3.31Å; L152-M154 VanDerWaalsContact C-N 3.32Å; L152-M154 PolarHBondContact O-N 2.91Å; M154-R157 PolarHBondContact O-N 3.2Å; M154-W158 PolarHBondContact O-N 3.34Å; M154-W158 VanDerWaalsContact O-N 3.17Å
155	K	88.8	Confident	91.4	Very high	26 Å²	26	59.7 Å²	59.7	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-39.1	172.6	-72.8	-177.6	-176.8	175.3	0	112.2	E109 E151 L152 R157 W158 L159 D208	E109-K155 WeakPolarHBondContact OE1-CE 3.35Å; E109-K155 IonicContact OE1-NZ 2.83Å; E109-K155 PolarHBondContact OE1-NZ 3.18Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.02Å; L152-K155 PolarHBondContact O-N 3.04Å; K155-R157 VanDerWaalsContact C-N 3.34Å; K155-W158 PolarHBondContact O-N 2.77Å; K155-L159 WeakPolarHBondContact O-CB 3.42Å; K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.24Å; K155-D208 IonicContact NZ-OD2 3.71Å
156	L	91.4	Very high	91.2	Very high	59 Å²	59	70.2 Å²	70.2	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.4	176.4	63.2	0	0	0	111.3	L152 C153 W158 G160 F161 F164	L152-L156 WeakPolarHBondContact O-CB 3.36Å; L152-L156 PolarHBondContact O-N 3.24Å; C153-L156 PolarHBondContact O-N 2.77Å; L156-W158 VanDerWaalsContact C-N 3.3Å; L156-W158 PolarHBondContact O-N 3.18Å; L156-G160 WeakPolarHBondContact O-CA 3.46Å; L156-G160 PolarHBondContact O-N 2.91Å; L156-F161 HydrophobicContact CD1-CB 4.39Å; L156-F161 HydrophobicContact CD1-CD2 4.23Å; L156-F164 HydrophobicContact CB-CD2 4.04Å; L156-F164 HydrophobicContact CB-CE2 4.22Å; L156-F164 HydrophobicContact CB-CG 4.39Å; L156-F164 HydrophobicContact CD1-CB 3.6Å; L156-F164 HydrophobicContact CD1-CD1 3.96Å; L156-F164 HydrophobicContact CD1-CD2 4.14Å; L156-F164 HydrophobicContact CD1-CG 3.64Å
157	R	90.4	Very high	90.8	Very high	172 Å²	172	68.8 Å²	68.8	65%	0.649	32%	0.321	S	S	*	.	H	α-helix	trans	-62.3	-34.9	176.3	-177.4	177.3	177.3	176.4	0.6	113	A96 C153 M154 K155	A96-R157 HydrophobicContact CB-CG 4.26Å; C153-R157 PolarHBondContact O-N 3.13Å; M154-R157 PolarHBondContact O-N 3.2Å; K155-R157 VanDerWaalsContact C-N 3.34Å
158	W	87.3	Confident	90.6	Very high	35 Å²	35	74.3 Å²	74.3	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-78.9	-53.4	177.1	163.8	41	0	0	0	112.6	S86 A96 Y97 A100 H101 M154 K155 L156	S86-W158 PolarHBondContact O-NE1 3Å; A96-W158 HydrophobicContact CB-CB 4.19Å; Y97-W158 AromaticContact CD2-CE2 3.75Å; Y97-W158 AromaticContact CD2-CZ2 3.93Å; Y97-W158 HydrophobicContact CD2-CZ2 3.93Å; Y97-W158 AromaticContact CD2-NE1 3.52Å; Y97-W158 HydrophobicContact CE2-CZ2 4.05Å; A100-W158 HydrophobicContact CB-CE3 4.44Å; H101-W158 AromaticContact CE1-CH2 3.5Å; H101-W158 VanDerWaalsContact CE1-CH2 3.5Å; H101-W158 WeakPolarHBondContact CE1-CH2 3.19Å; H101-W158 AromaticContact CE1-CZ2 3.66Å; H101-W158 AromaticContact CE1-CZ3 3.82Å; H101-W158 AromaticContact NE2-CH2 3.96Å; M154-W158 PolarHBondContact O-N 3.34Å; M154-W158 VanDerWaalsContact O-N 3.17Å; K155-W158 PolarHBondContact O-N 2.77Å; L156-W158 VanDerWaalsContact C-N 3.3Å; L156-W158 PolarHBondContact O-N 3.18Å
159	L	84.6	Confident	90.3	Very high	32 Å²	32	78.3 Å²	78.3	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-75.9	-24.1	-172.1	-66.9	169.4	0	0	0	113.8	K155 T163	K155-L159 WeakPolarHBondContact O-CB 3.42Å; K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.24Å; L159-T163 VanDerWaalsContact O-CB 3.27Å; L159-T163 WeakPolarHBondContact O-CB 3.22Å; L159-T163 PolarHBondContact O-OG1 3.13Å; L159-T163 VanDerWaalsContact O-OG1 3.11Å
160	G	86.5	Confident	90	Very high	31 Å²	31	77.6 Å²	77.6	32%	0.32	35%	0.349	S	S	.	.			trans	80.3	159.2	-170.1	0	0	0	0	0	113.2	L156 F164	L156-G160 WeakPolarHBondContact O-CA 3.46Å; L156-G160 PolarHBondContact O-N 2.91Å; G160-F164 VanDerWaalsContact O-CB 3.22Å; G160-F164 WeakPolarHBondContact O-CB 3.45Å; G160-F164 PolarHBondContact O-N 3.13Å
161	F	88.9	Confident	89.9	Confident	145 Å²	145	76.9 Å²	76.9	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-48.4	-169.9	-175.2	-102.3	0	0	0	114	L156 T163 F164 I165	L156-F161 HydrophobicContact CD1-CB 4.39Å; L156-F161 HydrophobicContact CD1-CD2 4.23Å; F161-T163 PolarHBondContact O-N 2.65Å; F161-F164 PolarHBondContact O-N 3.44Å; F161-I165 HydrophobicContact CD1-CD1 3.95Å; F161-I165 HydrophobicContact CD2-CD1 4.24Å; F161-I165 HydrophobicContact CE1-CD1 3.39Å; F161-I165 HydrophobicContact CE2-CD1 3.72Å; F161-I165 HydrophobicContact CG-CD1 4.35Å; F161-I165 HydrophobicContact CZ-CD1 3.27Å; F161-I165 HydrophobicContact CZ-CG1 4.49Å; F161-I165 PolarHBondContact O-N 2.93Å; F161-I165 VanDerWaalsContact O-N 3.08Å
162	R	88.3	Confident	90	Very high	213 Å²	213	80.5 Å²	80.5	80%	0.804	37%	0.37	S	S	*	.	H	α-helix	trans	-62	-46.9	-179	-70.3	-173	-179.6	-165.8	0.7	111.8	F164 I165 R166	R162-F164 VanDerWaalsContact C-N 3.34Å; R162-F164 PolarHBondContact O-N 3.42Å; R162-I165 PolarHBondContact O-N 2.68Å; R162-R166 WeakPolarHBondContact O-CB 3.3Å; R162-R166 PolarHBondContact O-N 2.84Å
163	T	87.6	Confident	90	Very high	42 Å²	42	80 Å²	80	26%	0.258	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-40.7	178.1	-43.3	0	0	0	0	111.5	F85 L159 F161 R166 H167	F85-T163 HydrophobicContact CD1-CG2 4.31Å; F85-T163 HydrophobicContact CE1-CG2 4.45Å; L159-T163 VanDerWaalsContact O-CB 3.27Å; L159-T163 WeakPolarHBondContact O-CB 3.22Å; L159-T163 PolarHBondContact O-OG1 3.13Å; L159-T163 VanDerWaalsContact O-OG1 3.11Å; F161-T163 PolarHBondContact O-N 2.65Å; T163-R166 PolarHBondContact O-N 2.88Å; T163-H167 WeakPolarHBondContact O-CB 3.45Å; T163-H167 PolarHBondContact O-N 2.81Å; T163-H167 VanDerWaalsContact O-N 3.12Å
164	F	89.6	Confident	90.1	Very high	19 Å²	19	77.4 Å²	77.4	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-44.6	179.5	-177.2	-88.6	0	0	0	112.3	L152 L156 G160 F161 R162 H167 T170 M171	L152-F164 HydrophobicContact CB-CZ 4.49Å; L152-F164 HydrophobicContact CD2-CE2 4.3Å; L152-F164 HydrophobicContact CD2-CZ 4.25Å; L156-F164 HydrophobicContact CB-CD2 4.04Å; L156-F164 HydrophobicContact CB-CE2 4.22Å; L156-F164 HydrophobicContact CB-CG 4.39Å; L156-F164 HydrophobicContact CD1-CB 3.6Å; L156-F164 HydrophobicContact CD1-CD1 3.96Å; L156-F164 HydrophobicContact CD1-CD2 4.14Å; L156-F164 HydrophobicContact CD1-CG 3.64Å; G160-F164 VanDerWaalsContact O-CB 3.22Å; G160-F164 WeakPolarHBondContact O-CB 3.45Å; G160-F164 PolarHBondContact O-N 3.13Å; F161-F164 PolarHBondContact O-N 3.44Å; R162-F164 VanDerWaalsContact C-N 3.34Å; R162-F164 PolarHBondContact O-N 3.42Å; F164-H167 PolarHBondContact O-N 2.93Å; F164-T170 HydrophobicContact CE2-CG2 4.3Å; F164-T170 PolarHBondContact O-OG1 3.01Å; F164-M171 HydrophobicContact CD1-SD 4.44Å; F164-M171 HydrophobicContact CE1-SD 4.32Å
165	I	90.9	Very high	90.3	Very high	80 Å²	80	78.9 Å²	78.9	41%	0.41	37%	0.366	S	S	.	.	H	α-helix	trans	-70.3	-40.1	178.8	-68.3	178.3	0	0	0	111.7	F161 R162 H167 M171	F161-I165 HydrophobicContact CD1-CD1 3.95Å; F161-I165 HydrophobicContact CD2-CD1 4.24Å; F161-I165 HydrophobicContact CE1-CD1 3.39Å; F161-I165 HydrophobicContact CE2-CD1 3.72Å; F161-I165 HydrophobicContact CG-CD1 4.35Å; F161-I165 HydrophobicContact CZ-CD1 3.27Å; F161-I165 HydrophobicContact CZ-CG1 4.49Å; F161-I165 PolarHBondContact O-N 2.93Å; F161-I165 VanDerWaalsContact O-N 3.08Å; R162-I165 PolarHBondContact O-N 2.68Å; I165-H167 PolarHBondContact O-N 2.61Å; I165-M171 HydrophobicContact CB-SD 4.42Å; I165-M171 HydrophobicContact CG1-SD 4.25Å; I165-M171 WeakPolarHBondContact O-CG 3.35Å
166	R	91.1	Very high	90.6	Very high	223 Å²	223	78.2 Å²	78.2	84%	0.842	36%	0.364	S	S	*	.	H	α-helix	trans	-66.9	-22.9	178.6	-165.8	172.4	179.5	176.9	0.4	112.3	R162 T163 K168	R162-R166 WeakPolarHBondContact O-CB 3.3Å; R162-R166 PolarHBondContact O-N 2.84Å; T163-R166 PolarHBondContact O-N 2.88Å; R166-K168 PolarHBondContact O-N 3.33Å; R166-K168 VanDerWaalsContact O-N 3.16Å
167	H	88.7	Confident	90.9	Very high	64 Å²	64	76.6 Å²	76.6	30%	0.296	36%	0.355	S	S	.	.			trans	-80.2	97.8	-179.3	-175.1	-100.3	0	0	0	111.8	T163 F164 I165 R169 T170 M171	T163-H167 WeakPolarHBondContact O-CB 3.45Å; T163-H167 PolarHBondContact O-N 2.81Å; T163-H167 VanDerWaalsContact O-N 3.12Å; F164-H167 PolarHBondContact O-N 2.93Å; I165-H167 PolarHBondContact O-N 2.61Å; H167-R169 VanDerWaalsContact C-N 3.25Å; H167-R169 PolarHBondContact O-N 3Å; H167-T170 WeakPolarHBondContact CB-OG1 3.31Å; H167-T170 WeakPolarHBondContact ND1-CG2 3.44Å; H167-T170 PolarHBondContact ND1-N 3.18Å; H167-T170 PolarHBondContact ND1-OG1 3.19Å; H167-T170 PolarHBondContact O-N 3.41Å; H167-T170 VanDerWaalsContact O-N 3.17Å; H167-T170 PolarHBondContact O-OG1 3.37Å; H167-M171 PolarHBondContact O-N 3.21Å
168	K	89.9	Confident	91.1	Very high	182 Å²	182	73.8 Å²	73.8	79%	0.791	35%	0.353	S	S	*	.	H	α-helix	trans	-46	-42.8	-176.1	-63.5	-175.4	178.4	-177.7	0	114.1	R166 M171 V172	R166-K168 PolarHBondContact O-N 3.33Å; R166-K168 VanDerWaalsContact O-N 3.16Å; K168-M171 PolarHBondContact O-N 2.94Å; K168-V172 WeakPolarHBondContact O-CG2 3.29Å; K168-V172 PolarHBondContact O-N 2.89Å
169	R	89.7	Confident	91.5	Very high	85 Å²	85	76.2 Å²	76.2	32%	0.321	37%	0.368	S	S	.	.	H	α-helix	trans	-67.5	-42.9	-175.1	-177	-178.3	79.2	-143.5	5.3	113.1	H167 M171 V172 K173 D208	H167-R169 VanDerWaalsContact C-N 3.25Å; H167-R169 PolarHBondContact O-N 3Å; R169-M171 VanDerWaalsContact C-N 3.3Å; R169-V172 PolarHBondContact O-N 3.29Å; R169-K173 PolarHBondContact O-N 3.41Å; R169-D208 VanDerWaalsContact CD-OD1 3.24Å; R169-D208 WeakPolarHBondContact CD-OD1 3.18Å; R169-D208 IonicContact CZ-OD1 3.33Å; R169-D208 IonicContact NE-OD1 3Å; R169-D208 PolarHBondContact NE-OD1 2.65Å; R169-D208 IonicContact NH2-OD1 3.98Å; R169-D208 PolarHBondContact NH2-OD1 3.17Å
170	T	90.3	Very high	92	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-69.5	-33.9	178.2	38.4	0	0	0	0	110.8	F164 H167 K173 A174	F164-T170 HydrophobicContact CE2-CG2 4.3Å; F164-T170 PolarHBondContact O-OG1 3.01Å; H167-T170 WeakPolarHBondContact CB-OG1 3.31Å; H167-T170 WeakPolarHBondContact ND1-CG2 3.44Å; H167-T170 PolarHBondContact ND1-N 3.18Å; H167-T170 PolarHBondContact ND1-OG1 3.19Å; H167-T170 PolarHBondContact O-N 3.41Å; H167-T170 VanDerWaalsContact O-N 3.17Å; H167-T170 PolarHBondContact O-OG1 3.37Å; T170-K173 PolarHBondContact O-N 3.39Å; T170-A174 WeakPolarHBondContact O-CB 3.21Å; T170-A174 PolarHBondContact O-N 3.04Å
171	M	93.3	Very high	92.5	Very high	67 Å²	67	76.5 Å²	76.5	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-46.1	173.1	-71.3	-55.1	-64.6	0	0	112.5	F164 I165 H167 K168 R169 K173 A174 S175	F164-M171 HydrophobicContact CD1-SD 4.44Å; F164-M171 HydrophobicContact CE1-SD 4.32Å; I165-M171 HydrophobicContact CB-SD 4.42Å; I165-M171 HydrophobicContact CG1-SD 4.25Å; I165-M171 WeakPolarHBondContact O-CG 3.35Å; H167-M171 PolarHBondContact O-N 3.21Å; K168-M171 PolarHBondContact O-N 2.94Å; R169-M171 VanDerWaalsContact C-N 3.3Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.36Å; M171-A174 PolarHBondContact O-N 3.35Å; M171-A174 VanDerWaalsContact O-N 3.15Å; M171-S175 PolarHBondContact O-N 2.82Å; M171-S175 PolarHBondContact O-OG 3.44Å; M171-S175 VanDerWaalsContact O-OG 3.12Å
172	V	93.9	Very high	92.8	Very high	78 Å²	78	73.2 Å²	73.2	47%	0.473	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-42.9	174.5	179.2	0	0	0	0	110.8	K168 R169 A174 S175 V176 I204	K168-V172 WeakPolarHBondContact O-CG2 3.29Å; K168-V172 PolarHBondContact O-N 2.89Å; R169-V172 PolarHBondContact O-N 3.29Å; V172-A174 VanDerWaalsContact C-N 3.32Å; V172-A174 PolarHBondContact O-N 2.93Å; V172-S175 PolarHBondContact O-N 3.43Å; V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.36Å; V172-I204 HydrophobicContact CB-CD1 4.24Å; V172-I204 HydrophobicContact CG1-CD1 3.49Å; V172-I204 VanDerWaalsContact CG1-CD1 3.49Å
173	K	94.4	Very high	93	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-41.5	174.7	-173.3	177	177.2	-168.4	0	111.6	E151 L152 R169 T170 M171 L177 F205 D208	E151-K173 IonicContact OE2-NZ 3.21Å; E151-K173 PolarHBondContact OE2-NZ 3Å; L152-K173 HydrophobicContact CD1-CG 4.48Å; L152-K173 HydrophobicContact CD2-CD 3.98Å; L152-K173 HydrophobicContact CD2-CG 4.37Å; R169-K173 PolarHBondContact O-N 3.41Å; T170-K173 PolarHBondContact O-N 3.39Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.36Å; K173-L177 VanDerWaalsContact O-CB 3.3Å; K173-L177 WeakPolarHBondContact O-CB 3.32Å; K173-L177 PolarHBondContact O-N 2.91Å; K173-F205 HydrophobicContact CD-CD1 4.36Å; K173-F205 HydrophobicContact CG-CD1 3.96Å; K173-F205 HydrophobicContact CG-CE1 3.93Å; K173-D208 HydrophobicContact CD-CB 4.17Å; K173-D208 VanDerWaalsContact CD-OD2 3.3Å; K173-D208 WeakPolarHBondContact CD-OD2 3.27Å; K173-D208 IonicContact NZ-OD2 2.78Å
174	A	95	Very high	93.3	Very high	27 Å²	27	62 Å²	62	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-67.9	-41.4	177.9	0	0	0	0	0	112.5	L152 T170 M171 V172 L177 L178	L152-A174 HydrophobicContact CD1-CB 4.13Å; T170-A174 WeakPolarHBondContact O-CB 3.21Å; T170-A174 PolarHBondContact O-N 3.04Å; M171-A174 PolarHBondContact O-N 3.35Å; M171-A174 VanDerWaalsContact O-N 3.15Å; V172-A174 VanDerWaalsContact C-N 3.32Å; V172-A174 PolarHBondContact O-N 2.93Å; A174-L177 WeakPolarHBondContact O-CB 3.48Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-L178 PolarHBondContact O-N 3.02Å
175	S	95.3	Very high	93.5	Very high	71 Å²	71	63.9 Å²	63.9	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.7	-59.9	0	0	0	0	112	M171 V172 L178 L179	M171-S175 PolarHBondContact O-N 2.82Å; M171-S175 PolarHBondContact O-OG 3.44Å; M171-S175 VanDerWaalsContact O-OG 3.12Å; V172-S175 PolarHBondContact O-N 3.43Å; S175-L178 PolarHBondContact O-N 3.45Å; S175-L179 PolarHBondContact O-N 3.37Å
176	V	96.1	Very high	93.7	Very high	13 Å²	13	62.8 Å²	62.8	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-40.7	175.8	175.8	0	0	0	0	111.1	V172 L178 L179 Q180 L201 I204 F205	V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.36Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 PolarHBondContact O-N 3.22Å; V176-L179 PolarHBondContact O-N 2.91Å; V176-Q180 HydrophobicContact CG1-CG 4.32Å; V176-Q180 WeakPolarHBondContact O-CB 3.41Å; V176-Q180 WeakPolarHBondContact O-CG 3.22Å; V176-Q180 PolarHBondContact O-N 3.12Å; V176-L201 HydrophobicContact CG1-CB 3.84Å; V176-L201 HydrophobicContact CG2-CB 4.39Å; V176-L201 HydrophobicContact CG2-CD1 4.26Å; V176-I204 HydrophobicContact CB-CG2 4.32Å; V176-I204 HydrophobicContact CG1-CG2 4.01Å; V176-I204 HydrophobicContact CG2-CD1 4.46Å; V176-F205 HydrophobicContact CG1-CE2 4.24Å; V176-F205 HydrophobicContact CG1-CZ 3.92Å
177	L	96.6	Very high	93.8	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-48.3	173.7	174	67.9	0	0	0	111.2	L145 V148 L152 K173 A174 Q180 F181 F205	L145-L177 HydrophobicContact CB-CD1 3.92Å; L145-L177 HydrophobicContact CD2-CD1 3.86Å; L145-L177 HydrophobicContact CG-CD1 4.45Å; L145-L177 WeakPolarHBondContact O-CD1 3.45Å; V148-L177 HydrophobicContact CB-CD1 4.16Å; V148-L177 HydrophobicContact CG1-CD1 4.1Å; V148-L177 HydrophobicContact CG1-CD2 4.43Å; L152-L177 HydrophobicContact CD1-CD2 3.74Å; K173-L177 VanDerWaalsContact O-CB 3.3Å; K173-L177 WeakPolarHBondContact O-CB 3.32Å; K173-L177 PolarHBondContact O-N 2.91Å; A174-L177 WeakPolarHBondContact O-CB 3.48Å; A174-L177 PolarHBondContact O-N 3.33Å; L177-Q180 PolarHBondContact O-N 2.95Å; L177-F181 WeakPolarHBondContact O-CB 3.03Å; L177-F181 PolarHBondContact O-N 3.28Å; L177-F205 HydrophobicContact CB-CE1 4.33Å; L177-F205 HydrophobicContact CB-CZ 4.39Å
178	L	96.1	Very high	94	Very high	114 Å²	114	51.7 Å²	51.7	60%	0.597	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-47.1	179.3	-179.4	65.4	0	0	0	111.4	A174 S175 V176 Q180 F181 V182	A174-L178 PolarHBondContact O-N 3.02Å; S175-L178 PolarHBondContact O-N 3.45Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 PolarHBondContact O-N 3.22Å; L178-Q180 PolarHBondContact O-N 3.49Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-V182 HydrophobicContact CD1-CG2 4.42Å; L178-V182 WeakPolarHBondContact O-CG2 3.12Å; L178-V182 PolarHBondContact O-N 3.37Å
179	L	95.6	Very high	94.2	Very high	86 Å²	86	49.3 Å²	49.3	45%	0.45	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-49.4	178.5	-178.5	65.3	0	0	0	111.5	S175 V176 F181 V182 E183 T198 L201	S175-L179 PolarHBondContact O-N 3.37Å; V176-L179 PolarHBondContact O-N 2.91Å; L179-F181 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 3.48Å; L179-E183 PolarHBondContact O-N 3.29Å; L179-E183 VanDerWaalsContact O-N 3.07Å; L179-T198 HydrophobicContact CD2-CG2 3.89Å; L179-T198 HydrophobicContact CG-CG2 4.21Å; L179-L201 HydrophobicContact CD2-CD1 4.33Å
180	Q	94.8	Very high	94.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68.5	-34.5	-179.7	-69.4	-172.6	20.1	0	0	112.7	L145 V176 L177 L178 E183 A184	L145-Q180 HydrophobicContact CD1-CB 4.04Å; L145-Q180 HydrophobicContact CD2-CB 4.07Å; V176-Q180 HydrophobicContact CG1-CG 4.32Å; V176-Q180 WeakPolarHBondContact O-CB 3.41Å; V176-Q180 WeakPolarHBondContact O-CG 3.22Å; V176-Q180 PolarHBondContact O-N 3.12Å; L177-Q180 PolarHBondContact O-N 2.95Å; L178-Q180 PolarHBondContact O-N 3.49Å; Q180-E183 PolarHBondContact O-N 3.05Å; Q180-A184 VanDerWaalsContact O-CB 3.3Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 3.44Å
181	F	96	Very high	94.4	Very high	67 Å²	67	55.8 Å²	55.8	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-44.9	177.3	-173.6	-98.9	0	0	0	111.8	L142 L145 L146 L177 L178 L179 E183 A184 I185	L142-F181 HydrophobicContact CD1-CE2 4.14Å; L142-F181 HydrophobicContact CG-CE2 4.07Å; L145-F181 HydrophobicContact CB-CD2 4.33Å; L145-F181 HydrophobicContact CD1-CB 4.39Å; L146-F181 HydrophobicContact CD2-CE2 4.12Å; L146-F181 HydrophobicContact CG-CE2 4.46Å; L177-F181 WeakPolarHBondContact O-CB 3.03Å; L177-F181 PolarHBondContact O-N 3.28Å; L178-F181 PolarHBondContact O-N 2.89Å; L179-F181 PolarHBondContact O-N 3.23Å; F181-E183 VanDerWaalsContact C-N 3.34Å; F181-A184 PolarHBondContact O-N 2.87Å; F181-I185 HydrophobicContact CD1-CD1 3.78Å; F181-I185 HydrophobicContact CE1-CD1 3.34Å; F181-I185 HydrophobicContact CE1-CG1 4.46Å; F181-I185 HydrophobicContact CZ-CD1 3.81Å; F181-I185 WeakPolarHBondContact O-CG1 3.28Å; F181-I185 PolarHBondContact O-N 3.31Å; F181-I185 VanDerWaalsContact O-N 3.14Å
182	V	95.3	Very high	94.2	Very high	77 Å²	77	56 Å²	56	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-46.5	174.6	172	0	0	0	0	110.3	L178 L179 I185 V186	L178-V182 HydrophobicContact CD1-CG2 4.42Å; L178-V182 WeakPolarHBondContact O-CG2 3.12Å; L178-V182 PolarHBondContact O-N 3.37Å; L179-V182 PolarHBondContact O-N 3.48Å; V182-I185 PolarHBondContact O-N 2.84Å; V182-V186 HydrophobicContact CG1-CG2 4.48Å; V182-V186 WeakPolarHBondContact O-CG2 3.4Å; V182-V186 PolarHBondContact O-N 3.35Å
183	E	93.9	Very high	93.7	Very high	17 Å²	17	54.3 Å²	54.3	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-42	-179.5	-165.5	-177.9	134.6	0	0	112.9	L179 Q180 F181 I185 V186 V187 H194 R196 T198	L179-E183 PolarHBondContact O-N 3.29Å; L179-E183 VanDerWaalsContact O-N 3.07Å; Q180-E183 PolarHBondContact O-N 3.05Å; F181-E183 VanDerWaalsContact C-N 3.34Å; E183-I185 VanDerWaalsContact C-N 3.3Å; E183-I185 PolarHBondContact O-N 3Å; E183-V186 WeakPolarHBondContact O-CB 3.49Å; E183-V186 PolarHBondContact O-N 3.34Å; E183-V186 VanDerWaalsContact O-N 3.11Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.01Å; E183-H194 WeakPolarHBondContact CG-NE2 3.42Å; E183-H194 IonicContact OE1-NE2 3.64Å; E183-R196 WeakPolarHBondContact OE1-CB 3.45Å; E183-R196 WeakPolarHBondContact OE1-CG 3.37Å; E183-R196 IonicContact OE1-CZ 3.83Å; E183-R196 IonicContact OE1-NE 3.55Å; E183-R196 PolarHBondContact OE1-NE 3.34Å; E183-R196 IonicContact OE1-NH2 3.47Å; E183-T198 VanDerWaalsContact CD-OG1 3.23Å; E183-T198 PolarHBondContact OE1-OG1 2.79Å; E183-T198 VanDerWaalsContact OE2-CB 3.27Å; E183-T198 WeakPolarHBondContact OE2-CB 3.42Å; E183-T198 WeakPolarHBondContact OE2-CG2 3.46Å; E183-T198 PolarHBondContact OE2-OG1 3.23Å
184	A	93.1	Very high	93.4	Very high	1 Å²	1	57 Å²	57	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-40.4	176.5	0	0	0	0	0	111.7	E141 L145 Q180 F181 V187 L188	E141-A184 HydrophobicContact CG-CB 4.24Å; L145-A184 HydrophobicContact CD1-CB 4.19Å; Q180-A184 VanDerWaalsContact O-CB 3.3Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 3.44Å; F181-A184 PolarHBondContact O-N 2.87Å; A184-V187 PolarHBondContact O-N 3.36Å; A184-L188 WeakPolarHBondContact O-CB 3.22Å; A184-L188 PolarHBondContact O-N 2.86Å
185	I	94.3	Very high	93	Very high	60 Å²	60	60.7 Å²	60.7	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-44.2	173.3	-69.4	171.4	0	0	0	110.8	L142 F181 V182 E183 V187 L188 I189	L142-I185 HydrophobicContact CD1-CG1 3.9Å; F181-I185 HydrophobicContact CD1-CD1 3.78Å; F181-I185 HydrophobicContact CE1-CD1 3.34Å; F181-I185 HydrophobicContact CE1-CG1 4.46Å; F181-I185 HydrophobicContact CZ-CD1 3.81Å; F181-I185 WeakPolarHBondContact O-CG1 3.28Å; F181-I185 PolarHBondContact O-N 3.31Å; F181-I185 VanDerWaalsContact O-N 3.14Å; V182-I185 PolarHBondContact O-N 2.84Å; E183-I185 VanDerWaalsContact C-N 3.3Å; E183-I185 PolarHBondContact O-N 3Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 3.5Å; I185-L188 PolarHBondContact O-N 2.86Å; I185-I189 HydrophobicContact CG2-CD1 3.64Å; I185-I189 HydrophobicContact CG2-CG1 4.3Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å; I185-I189 PolarHBondContact O-N 2.89Å
186	V	94.4	Very high	92.6	Very high	56 Å²	56	57.3 Å²	57.3	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-43.1	178.2	170.1	0	0	0	0	111.3	V182 E183 I189 R190	V182-V186 HydrophobicContact CG1-CG2 4.48Å; V182-V186 WeakPolarHBondContact O-CG2 3.4Å; V182-V186 PolarHBondContact O-N 3.35Å; E183-V186 WeakPolarHBondContact O-CB 3.49Å; E183-V186 PolarHBondContact O-N 3.34Å; E183-V186 VanDerWaalsContact O-N 3.11Å; V186-I189 PolarHBondContact O-N 3.44Å; V186-R190 HydrophobicContact CG1-CG 4.36Å; V186-R190 VanDerWaalsContact O-CB 3.3Å; V186-R190 WeakPolarHBondContact O-CB 3.46Å; V186-R190 WeakPolarHBondContact O-CG 3.19Å; V186-R190 PolarHBondContact O-N 3.44Å
187	V	93.4	Very high	92.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-43.5	175.1	173.7	0	0	0	0	111	V134 A138 E183 A184 I185 I189 R190 Q191	V134-V187 HydrophobicContact CG1-CG1 3.78Å; A138-V187 HydrophobicContact CB-CG1 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.01Å; A184-V187 PolarHBondContact O-N 3.36Å; I185-V187 VanDerWaalsContact C-N 3.34Å; I185-V187 PolarHBondContact O-N 3.5Å; V187-I189 VanDerWaalsContact C-N 3.35Å; V187-I189 PolarHBondContact O-N 3.37Å; V187-R190 PolarHBondContact O-N 3.35Å; V187-Q191 PolarHBondContact O-N 3.31Å
188	L	93	Very high	92.3	Very high	55 Å²	55	59.7 Å²	59.7	29%	0.288	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-36.5	178.7	-175.2	67	0	0	0	112.4	A138 T139 A184 I185 Q191	A138-L188 HydrophobicContact CB-CB 4.25Å; A138-L188 HydrophobicContact CB-CD1 4.11Å; T139-L188 HydrophobicContact CG2-CD1 4.21Å; A184-L188 WeakPolarHBondContact O-CB 3.22Å; A184-L188 PolarHBondContact O-N 2.86Å; I185-L188 PolarHBondContact O-N 2.86Å; L188-Q191 PolarHBondContact O-NE2 2.91Å
189	I	94.6	Very high	92.2	Very high	131 Å²	131	54.5 Å²	54.5	67%	0.672	28%	0.281	S	S	*	.	H	α-helix	trans	-73.9	-45.3	176.7	-67.5	168.7	0	0	0	110.8	I185 V186 V187 Q191	I185-I189 HydrophobicContact CG2-CD1 3.64Å; I185-I189 HydrophobicContact CG2-CG1 4.3Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å; I185-I189 PolarHBondContact O-N 2.89Å; V186-I189 PolarHBondContact O-N 3.44Å; V187-I189 VanDerWaalsContact C-N 3.35Å; V187-I189 PolarHBondContact O-N 3.37Å; I189-Q191 VanDerWaalsContact C-N 3.31Å; I189-Q191 PolarHBondContact O-N 3Å
190	R	92.8	Very high	92.2	Very high	135 Å²	135	51.1 Å²	51.1	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-75.8	-17.2	-175.7	-72.3	-179.9	59.4	-165.3	-5.2	113.9	V186 V187 T192	V186-R190 HydrophobicContact CG1-CG 4.36Å; V186-R190 VanDerWaalsContact O-CB 3.3Å; V186-R190 WeakPolarHBondContact O-CB 3.46Å; V186-R190 WeakPolarHBondContact O-CG 3.19Å; V186-R190 PolarHBondContact O-N 3.44Å; V187-R190 PolarHBondContact O-N 3.35Å; R190-T192 PolarHBondContact O-N 3.31Å; R190-T192 PolarHBondContact O-OG1 3.18Å; R190-T192 VanDerWaalsContact O-OG1 3.09Å
191	Q	91.4	Very high	92.2	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	29%	0.287	S	S	.	.	S	Bend	trans	51.6	20	-174.2	-66.3	-66.9	-43.9	0	0	113.9	V187 L188 I189	V187-Q191 PolarHBondContact O-N 3.31Å; L188-Q191 PolarHBondContact O-NE2 2.91Å; I189-Q191 VanDerWaalsContact C-N 3.31Å; I189-Q191 PolarHBondContact O-N 3Å
192	T	89.1	Confident	92.1	Very high	71 Å²	71	51.9 Å²	51.9	44%	0.436	27%	0.273	S	S	.	.	S	Bend	trans	-139.2	131.8	-179.5	46.6	0	0	0	0	108.6	R190 H194	R190-T192 PolarHBondContact O-N 3.31Å; R190-T192 PolarHBondContact O-OG1 3.18Å; R190-T192 VanDerWaalsContact O-OG1 3.09Å; T192-H194 PolarHBondContact O-N 2.94Å
193	S	82.1	Confident	92.1	Very high	43 Å²	43	48.6 Å²	48.6	30%	0.301	25%	0.253	S	S	.	.			trans	-75.6	121.7	174.1	-54.9	0	0	0	0	108.8
194	H	88.1	Confident	92.1	Very high	57 Å²	57	49.8 Å²	49.8	26%	0.264	26%	0.26	S	S	.	.			trans	-87.5	-177	165.8	57.1	-81.2	0	0	0	109.4	E183 T192 R196	E183-H194 WeakPolarHBondContact CG-NE2 3.42Å; E183-H194 IonicContact OE1-NE2 3.64Å; T192-H194 PolarHBondContact O-N 2.94Å; H194-R196 WeakPolarHBondContact O-CG 3.38Å; H194-R196 PolarHBondContact O-N 3.31Å; H194-R196 VanDerWaalsContact O-N 3.14Å
195	M	86.2	Confident	92.2	Very high	105 Å²	105	49.9 Å²	49.9	52%	0.517	26%	0.26	S	S	.	.			trans	-64.3	112.1	175.2	-63.1	-76.7	-72.2	0	0	110	E584 F585	M195-E584 VanDerWaalsContact CA-OE2 3.26Å; M195-E584 WeakPolarHBondContact CA-OE2 3.39Å; M195-E584 HydrophobicContact CE-CB 4.1Å; M195-E584 WeakPolarHBondContact CE-O 3.49Å; M195-F585 HydrophobicContact CE-CD1 4.12Å; M195-F585 HydrophobicContact CE-CE1 4.2Å
196	R	88.8	Confident	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.			trans	-109.1	57.8	-171	-57.3	-166.4	56.3	-164.3	5.8	112.4	E123 E141 E183 H194 T198 R199 E584	E123-R196 IonicContact OE1-NH1 2.81Å; E123-R196 PolarHBondContact OE1-NH1 2.95Å; E141-R196 IonicContact OE1-CZ 3.2Å; E141-R196 IonicContact OE1-NH1 3.8Å; E141-R196 IonicContact OE1-NH2 2.93Å; E141-R196 PolarHBondContact OE1-NH2 2.77Å; E141-R196 IonicContact OE2-CZ 3.72Å; E141-R196 VanDerWaalsContact OE2-CZ 3.27Å; E141-R196 IonicContact OE2-NH1 3.51Å; E141-R196 PolarHBondContact OE2-NH1 3.01Å; E141-R196 IonicContact OE2-NH2 3.64Å; E141-R196 PolarHBondContact OE2-NH2 3.23Å; E183-R196 WeakPolarHBondContact OE1-CB 3.45Å; E183-R196 WeakPolarHBondContact OE1-CG 3.37Å; E183-R196 IonicContact OE1-CZ 3.83Å; E183-R196 IonicContact OE1-NE 3.55Å; E183-R196 PolarHBondContact OE1-NE 3.34Å; E183-R196 IonicContact OE1-NH2 3.47Å; H194-R196 WeakPolarHBondContact O-CG 3.38Å; H194-R196 PolarHBondContact O-N 3.31Å; H194-R196 VanDerWaalsContact O-N 3.14Å; R196-T198 PolarHBondContact O-N 3.06Å; R196-T198 VanDerWaalsContact O-N 3.15Å; R196-R199 HydrophobicContact CB-CG 3.96Å; R196-R199 VanDerWaalsContact CD-NH2 3.33Å; R196-R199 WeakPolarHBondContact O-CB 3.46Å; R196-R199 VanDerWaalsContact O-CG 3.26Å; R196-R199 WeakPolarHBondContact O-CG 3.29Å; R196-R199 PolarHBondContact O-N 3.37Å; R196-E584 VanDerWaalsContact N-CD 3.31Å; R196-E584 PolarHBondContact N-OE1 2.98Å; R196-E584 PolarHBondContact N-OE2 3.45Å
197	V	92	Very high	92.1	Very high	55 Å²	55	45.8 Å²	45.8	33%	0.333	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.3	179.5	-177.9	0	0	0	0	112.4	R199 A200 V581 E584 F585	V197-R199 PolarHBondContact O-N 2.94Å; V197-R199 VanDerWaalsContact O-N 3.09Å; V197-A200 VanDerWaalsContact O-CB 3.27Å; V197-A200 WeakPolarHBondContact O-CB 3.47Å; V197-A200 PolarHBondContact O-N 3.41Å; V197-V581 HydrophobicContact CG1-CG2 4.17Å; V197-E584 HydrophobicContact CG2-CB 4.26Å; V197-E584 HydrophobicContact CG2-CG 4.49Å; V197-F585 HydrophobicContact CG2-CE2 4.38Å; V197-F585 HydrophobicContact CG2-CZ 4.44Å
198	T	93.1	Very high	92	Very high	33 Å²	33	46 Å²	46	20%	0.202	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60	-21.4	178.5	65.6	0	0	0	0	113.5	L179 E183 R196 A200 L201	L179-T198 HydrophobicContact CD2-CG2 3.89Å; L179-T198 HydrophobicContact CG-CG2 4.21Å; E183-T198 VanDerWaalsContact CD-OG1 3.23Å; E183-T198 PolarHBondContact OE1-OG1 2.79Å; E183-T198 VanDerWaalsContact OE2-CB 3.27Å; E183-T198 WeakPolarHBondContact OE2-CB 3.42Å; E183-T198 WeakPolarHBondContact OE2-CG2 3.46Å; E183-T198 PolarHBondContact OE2-OG1 3.23Å; R196-T198 PolarHBondContact O-N 3.06Å; R196-T198 VanDerWaalsContact O-N 3.15Å; T198-A200 PolarHBondContact O-N 3.07Å; T198-A200 VanDerWaalsContact O-N 3.16Å; T198-L201 WeakPolarHBondContact O-CB 3.4Å; T198-L201 PolarHBondContact O-N 3.1Å
199	R	94.2	Very high	91.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.015	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.6	-26.5	174.8	-62.2	-178.8	-153.8	168.9	34.9	111.8	E123 A124 R196 V197 L201 R202 Y576 I580 E584	E123-R199 VanDerWaalsContact OE2-CD 3.24Å; E123-R199 WeakPolarHBondContact OE2-CD 3.34Å; E123-R199 IonicContact OE2-CZ 3.97Å; E123-R199 IonicContact OE2-NE 3.62Å; E123-R199 PolarHBondContact OE2-NE 3.08Å; E123-R199 IonicContact OE2-NH1 2.8Å; E123-R199 PolarHBondContact OE2-NH1 3.03Å; A124-R199 PolarHBondContact O-NH1 2.96Å; A124-R199 PolarHBondContact O-NH2 2.66Å; R196-R199 HydrophobicContact CB-CG 3.96Å; R196-R199 VanDerWaalsContact CD-NH2 3.33Å; R196-R199 WeakPolarHBondContact O-CB 3.46Å; R196-R199 VanDerWaalsContact O-CG 3.26Å; R196-R199 WeakPolarHBondContact O-CG 3.29Å; R196-R199 PolarHBondContact O-N 3.37Å; V197-R199 PolarHBondContact O-N 2.94Å; V197-R199 VanDerWaalsContact O-N 3.09Å; R199-L201 PolarHBondContact O-N 3.37Å; R199-L201 VanDerWaalsContact O-N 3.1Å; R199-R202 VanDerWaalsContact O-CB 3.31Å; R199-R202 WeakPolarHBondContact O-CB 3.38Å; R199-R202 WeakPolarHBondContact O-CG 3.28Å; R199-R202 PolarHBondContact O-N 3.12Å; R199-Y576 WeakPolarHBondContact O-CE1 3.47Å; R199-I580 HydrophobicContact CB-CD1 4.19Å; R199-I580 HydrophobicContact CB-CG2 3.87Å; R199-E584 IonicContact CZ-OE1 3.93Å; R199-E584 IonicContact NE-OE1 3.3Å; R199-E584 IonicContact NH2-OE1 2.91Å; R199-E584 PolarHBondContact NH2-OE1 3.13Å
200	A	95.2	Very high	91.6	Very high	16 Å²	16	41.4 Å²	41.4	13%	0.132	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.4	176.1	0	0	0	0	0	112.8	V197 T198 P203 I580 V581	V197-A200 VanDerWaalsContact O-CB 3.27Å; V197-A200 WeakPolarHBondContact O-CB 3.47Å; V197-A200 PolarHBondContact O-N 3.41Å; T198-A200 PolarHBondContact O-N 3.07Å; T198-A200 VanDerWaalsContact O-N 3.16Å; A200-P203 VanDerWaalsContact O-CD 3.23Å; A200-P203 WeakPolarHBondContact O-CD 3.46Å; A200-I580 HydrophobicContact CB-CB 4.17Å; A200-I580 HydrophobicContact CB-CG2 4.01Å; A200-V581 HydrophobicContact CB-CG2 4.36Å
201	L	94.8	Very high	91.4	Very high	84 Å²	84	39.2 Å²	39.2	44%	0.44	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-86.7	-13	177.3	-57.4	176.4	0	0	0	113.6	V176 L179 T198 R199 P203 I204	V176-L201 HydrophobicContact CG1-CB 3.84Å; V176-L201 HydrophobicContact CG2-CB 4.39Å; V176-L201 HydrophobicContact CG2-CD1 4.26Å; L179-L201 HydrophobicContact CD2-CD1 4.33Å; T198-L201 WeakPolarHBondContact O-CB 3.4Å; T198-L201 PolarHBondContact O-N 3.1Å; R199-L201 PolarHBondContact O-N 3.37Å; R199-L201 VanDerWaalsContact O-N 3.1Å; L201-P203 VanDerWaalsContact C-N 3.31Å; L201-I204 WeakPolarHBondContact O-CB 3.46Å; L201-I204 WeakPolarHBondContact O-CG2 3.44Å; L201-I204 PolarHBondContact O-N 3Å; L201-I204 VanDerWaalsContact O-N 3.11Å
202	R	94.3	Very high	91.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.7	178.9	-72	179.5	-177.9	164.9	2	115.1	L116 L117 E123 E141 R199 I204 F205 Y576	L116-R202 WeakPolarHBondContact O-CD 3.26Å; L117-R202 HydrophobicContact CD1-CB 4.33Å; E123-R202 IonicContact OE1-CZ 3.8Å; E123-R202 IonicContact OE1-NH1 2.69Å; E123-R202 PolarHBondContact OE1-NH1 3.46Å; E123-R202 IonicContact OE1-NH2 3.72Å; E123-R202 PolarHBondContact OE1-NH2 2.99Å; E123-R202 IonicContact OE2-CZ 3.37Å; E123-R202 IonicContact OE2-NH1 3.27Å; E123-R202 PolarHBondContact OE2-NH1 3.44Å; E123-R202 IonicContact OE2-NH2 2.71Å; E123-R202 PolarHBondContact OE2-NH2 3.03Å; E141-R202 IonicContact OE1-CZ 2.72Å; E141-R202 IonicContact OE1-NE 3.87Å; E141-R202 IonicContact OE1-NH2 2.64Å; E141-R202 PolarHBondContact OE1-NH2 3.39Å; E141-R202 IonicContact OE2-NH2 3.27Å; E141-R202 PolarHBondContact OE2-NH2 2.73Å; R199-R202 VanDerWaalsContact O-CB 3.31Å; R199-R202 WeakPolarHBondContact O-CB 3.38Å; R199-R202 WeakPolarHBondContact O-CG 3.28Å; R199-R202 PolarHBondContact O-N 3.12Å; R202-I204 PolarHBondContact O-N 2.91Å; R202-F205 HydrophobicContact CB-CD2 4.49Å; R202-F205 VanDerWaalsContact O-CD2 3.27Å; R202-F205 WeakPolarHBondContact O-CD2 3.48Å; R202-F205 PolarHBondContact O-N 3.47Å; R202-Y576 HydrophobicContact CB-CE1 4.36Å
203	P	95.3	Very high	91.2	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.045	17%	0.168	C	C	.	.	H	α-helix	trans	-55	-21.7	176.8	-28.7	37.6	0	0	0	114.6	A200 L201 F205 L206 V207 I573 Y576	A200-P203 VanDerWaalsContact O-CD 3.23Å; A200-P203 WeakPolarHBondContact O-CD 3.46Å; L201-P203 VanDerWaalsContact C-N 3.31Å; P203-F205 PolarHBondContact O-N 2.78Å; P203-L206 PolarHBondContact O-N 3.32Å; P203-L206 VanDerWaalsContact O-N 3.13Å; P203-V207 WeakPolarHBondContact O-CG2 3.46Å; P203-V207 PolarHBondContact O-N 3.14Å; P203-I573 HydrophobicContact CB-CG1 4.35Å; P203-I573 HydrophobicContact CB-CG2 3.7Å; P203-I573 HydrophobicContact CG-CG2 4.38Å; P203-Y576 HydrophobicContact CG-CD1 3.27Å; P203-Y576 HydrophobicContact CG-CE1 3.79Å; P203-Y576 HydrophobicContact CG-CG 4Å
204	I	94.4	Very high	91.4	Very high	43 Å²	43	32.4 Å²	32.4	22%	0.221	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-34	174.9	-160.9	171.7	0	0	0	112.6	V172 V176 L201 R202 V207 D208	V172-I204 HydrophobicContact CB-CD1 4.24Å; V172-I204 HydrophobicContact CG1-CD1 3.49Å; V172-I204 VanDerWaalsContact CG1-CD1 3.49Å; V176-I204 HydrophobicContact CB-CG2 4.32Å; V176-I204 HydrophobicContact CG1-CG2 4.01Å; V176-I204 HydrophobicContact CG2-CD1 4.46Å; L201-I204 WeakPolarHBondContact O-CB 3.46Å; L201-I204 WeakPolarHBondContact O-CG2 3.44Å; L201-I204 PolarHBondContact O-N 3Å; L201-I204 VanDerWaalsContact O-N 3.11Å; R202-I204 PolarHBondContact O-N 2.91Å; I204-V207 PolarHBondContact O-N 2.78Å; I204-D208 WeakPolarHBondContact O-CB 3.5Å; I204-D208 PolarHBondContact O-N 2.68Å
205	F	94.2	Very high	91.5	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-38.2	179.8	-59.3	-57.7	0	0	0	111.3	L116 L145 V148 K173 V176 L177 R202 P203 C209	L116-F205 HydrophobicContact CD1-CB 4.43Å; L116-F205 HydrophobicContact CD1-CD2 3.74Å; L116-F205 HydrophobicContact CD1-CE2 4.24Å; L116-F205 HydrophobicContact CD1-CG 4.18Å; L145-F205 HydrophobicContact CD2-CE2 4.38Å; L145-F205 HydrophobicContact CD2-CZ 4.41Å; V148-F205 HydrophobicContact CG1-CD1 3.77Å; V148-F205 HydrophobicContact CG1-CE1 3.74Å; V148-F205 HydrophobicContact CG2-CD1 4.37Å; K173-F205 HydrophobicContact CD-CD1 4.36Å; K173-F205 HydrophobicContact CG-CD1 3.96Å; K173-F205 HydrophobicContact CG-CE1 3.93Å; V176-F205 HydrophobicContact CG1-CE2 4.24Å; V176-F205 HydrophobicContact CG1-CZ 3.92Å; L177-F205 HydrophobicContact CB-CE1 4.33Å; L177-F205 HydrophobicContact CB-CZ 4.39Å; R202-F205 HydrophobicContact CB-CD2 4.49Å; R202-F205 VanDerWaalsContact O-CD2 3.27Å; R202-F205 WeakPolarHBondContact O-CD2 3.48Å; R202-F205 PolarHBondContact O-N 3.47Å; P203-F205 PolarHBondContact O-N 2.78Å; F205-C209 PolarHBondContact O-SG 3.08Å
206	L	94	Very high	91.7	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-72.5	-42.3	174.8	-175.2	66.9	0	0	0	111.8	L110 L117 P203 D208 C209 C212	L110-L206 HydrophobicContact CD1-CD1 3.81Å; L117-L206 HydrophobicContact CD1-CB 4.3Å; L117-L206 HydrophobicContact CD2-CD2 3.96Å; P203-L206 PolarHBondContact O-N 3.32Å; P203-L206 VanDerWaalsContact O-N 3.13Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.2Å; L206-C209 VanDerWaalsContact O-CB 3.31Å; L206-C209 WeakPolarHBondContact O-CB 3.15Å; L206-C209 PolarHBondContact O-N 2.78Å; L206-C209 PolarHBondContact O-SG 3.13Å; L206-C212 VanDerWaalsContact O-CB 3.26Å; L206-C212 WeakPolarHBondContact O-CB 3.48Å
207	V	93.4	Very high	91.6	Very high	21 Å²	21	31.8 Å²	31.8	13%	0.127	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-32.9	-179.4	172.8	0	0	0	0	111.9	P203 I204 C209 R216 L219 I573	P203-V207 WeakPolarHBondContact O-CG2 3.46Å; P203-V207 PolarHBondContact O-N 3.14Å; I204-V207 PolarHBondContact O-N 2.78Å; V207-C209 VanDerWaalsContact C-N 3.31Å; V207-C209 PolarHBondContact O-N 2.93Å; V207-R216 HydrophobicContact CG1-CB 3.79Å; V207-R216 HydrophobicContact CG1-CG 3.9Å; V207-L219 HydrophobicContact CG1-CD1 4.1Å; V207-L219 HydrophobicContact CG2-CD1 3.68Å; V207-I573 HydrophobicContact CG2-CD1 3.54Å
208	D	90.8	Very high	91.3	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.027	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-12.1	179	-164.7	41.8	0	0	0	114.2	K155 R169 K173 I204 L206 R216	K155-D208 IonicContact NZ-OD2 3.71Å; R169-D208 VanDerWaalsContact CD-OD1 3.24Å; R169-D208 WeakPolarHBondContact CD-OD1 3.18Å; R169-D208 IonicContact CZ-OD1 3.33Å; R169-D208 IonicContact NE-OD1 3Å; R169-D208 PolarHBondContact NE-OD1 2.65Å; R169-D208 IonicContact NH2-OD1 3.98Å; R169-D208 PolarHBondContact NH2-OD1 3.17Å; K173-D208 HydrophobicContact CD-CB 4.17Å; K173-D208 VanDerWaalsContact CD-OD2 3.3Å; K173-D208 WeakPolarHBondContact CD-OD2 3.27Å; K173-D208 IonicContact NZ-OD2 2.78Å; I204-D208 WeakPolarHBondContact O-CB 3.5Å; I204-D208 PolarHBondContact O-N 2.68Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.2Å; D208-R216 PolarHBondContact O-NH1 3.26Å; D208-R216 VanDerWaalsContact O-NH1 3.14Å; D208-R216 IonicContact OD1-NH1 2.59Å; D208-R216 PolarHBondContact OD1-NH1 3.44Å; D208-R216 VanDerWaalsContact OD1-NH1 3.17Å
209	C	90.3	Very high	91.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	-60.5	148.9	178.3	-62.6	0	0	0	0	112.7	E109 F205 L206 V207 Y211 C212	E109-C209 PolarHBondContact O-SG 2.77Å; F205-C209 PolarHBondContact O-SG 3.08Å; L206-C209 VanDerWaalsContact O-CB 3.31Å; L206-C209 WeakPolarHBondContact O-CB 3.15Å; L206-C209 PolarHBondContact O-N 2.78Å; L206-C209 PolarHBondContact O-SG 3.13Å; V207-C209 VanDerWaalsContact C-N 3.31Å; V207-C209 PolarHBondContact O-N 2.93Å; C209-Y211 PolarHBondContact O-N 3.35Å; C209-C212 HydrophobicContact CB-CB 4.4Å; C209-C212 PolarHBondContact O-N 2.97Å
210	R	88.6	Confident	90.9	Very high	88 Å²	88	34.7 Å²	34.7	33%	0.332	16%	0.163	S	C	.	.	S	Bend	trans	-60	-39.1	178.2	-179.5	63.6	-177.7	73.3	3.5	114	N80 Y106 E109	N80-R210 PolarHBondContact OD1-NH2 3.07Å; Y106-R210 HydrophobicContact CD1-CB 3.59Å; Y106-R210 HydrophobicContact CD1-CG 3.89Å; Y106-R210 HydrophobicContact CD2-CB 4.42Å; Y106-R210 HydrophobicContact CD2-CG 3.99Å; Y106-R210 HydrophobicContact CE1-CB 3.88Å; Y106-R210 HydrophobicContact CE1-CG 3.81Å; Y106-R210 HydrophobicContact CE2-CG 3.9Å; Y106-R210 HydrophobicContact CG-CB 3.89Å; Y106-R210 HydrophobicContact CG-CG 3.98Å; E109-R210 PolarHBondContact OE2-N 3.32Å
211	Y	88.7	Confident	90.3	Very high	89 Å²	89	34.4 Å²	34.4	35%	0.349	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-33.7	179.8	-69.6	-62.4	0	0	0	112.9	H103 Y106 M107 L110 C209 G213	H103-Y211 PolarHBondContact CD2-OH 3Å; H103-Y211 PolarHBondContact CE1-OH 2.85Å; H103-Y211 PolarHBondContact NE2-OH 2.76Å; Y106-Y211 VanDerWaalsContact CB-CE2 3.47Å; M107-Y211 HydrophobicContact CE-CD2 4.08Å; M107-Y211 HydrophobicContact CE-CE1 4.17Å; M107-Y211 HydrophobicContact CE-CE2 3.25Å; M107-Y211 WeakPolarHBondContact CE-OH 3.41Å; M107-Y211 HydrophobicContact CG-CE2 4.29Å; M107-Y211 HydrophobicContact SD-CE2 3.98Å; L110-Y211 HydrophobicContact CB-CD2 4.25Å; L110-Y211 HydrophobicContact CD2-CD2 3.97Å; C209-Y211 PolarHBondContact O-N 3.35Å; Y211-G213 PolarHBondContact O-N 3Å
212	C	90.2	Very high	89.9	Confident	11 Å²	11	31 Å²	31	7%	0.074	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	20.4	178.5	-63.1	0	0	0	0	113.1	L206 C209 A214 V215 R216	L206-C212 VanDerWaalsContact O-CB 3.26Å; L206-C212 WeakPolarHBondContact O-CB 3.48Å; C209-C212 HydrophobicContact CB-CB 4.4Å; C209-C212 PolarHBondContact O-N 2.97Å; C212-A214 PolarHBondContact O-N 3.17Å; C212-V215 HydrophobicContact CB-CB 4.37Å; C212-V215 HydrophobicContact CB-CG2 4.32Å; C212-V215 WeakPolarHBondContact O-CB 3.35Å; C212-V215 PolarHBondContact O-N 3.06Å; C212-V215 VanDerWaalsContact O-N 3.14Å; C212-R216 PolarHBondContact O-N 3.5Å
213	G	86.8	Confident	89.6	Confident	7 Å²	7	36.8 Å²	36.8	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-31.3	178.9	0	0	0	0	0	113.9	Y211 R217	Y211-G213 PolarHBondContact O-N 3Å; G213-R217 VanDerWaalsContact O-CG 3.27Å; G213-R217 WeakPolarHBondContact O-CG 3.24Å; G213-R217 PolarHBondContact O-N 3.48Å; G213-R217 VanDerWaalsContact O-N 3.14Å
214	A	86.1	Confident	89.3	Confident	43 Å²	43	41.3 Å²	41.3	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-66.6	-49.9	173.9	0	0	0	0	0	111.7	C212 R216 R217 N218	C212-A214 PolarHBondContact O-N 3.17Å; A214-R216 VanDerWaalsContact C-N 3.27Å; A214-R216 PolarHBondContact O-N 2.91Å; A214-R217 WeakPolarHBondContact O-CB 3.32Å; A214-R217 PolarHBondContact O-N 3.05Å; A214-N218 VanDerWaalsContact O-CG 3.23Å; A214-N218 PolarHBondContact O-N 3.34Å; A214-N218 PolarHBondContact O-ND2 3.37Å; A214-N218 PolarHBondContact O-OD1 3.33Å
215	V	90.4	Very high	88.8	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-44.1	176.4	-176.4	0	0	0	0	110.9	C212 R217 N218 L219 L569 T570 I573	C212-V215 HydrophobicContact CB-CB 4.37Å; C212-V215 HydrophobicContact CB-CG2 4.32Å; C212-V215 WeakPolarHBondContact O-CB 3.35Å; C212-V215 PolarHBondContact O-N 3.06Å; C212-V215 VanDerWaalsContact O-N 3.14Å; V215-R217 PolarHBondContact O-N 3.42Å; V215-N218 PolarHBondContact O-N 3.11Å; V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 WeakPolarHBondContact O-CB 3.38Å; V215-L219 PolarHBondContact O-N 3.1Å; V215-L569 HydrophobicContact CG2-CB 4.19Å; V215-L569 HydrophobicContact CG2-CD2 3.75Å; V215-L569 HydrophobicContact CG2-CG 4.07Å; V215-T570 WeakPolarHBondContact CG1-OG1 3.29Å; V215-I573 HydrophobicContact CG1-CD1 3.4Å; V215-I573 VanDerWaalsContact CG1-CD1 3.4Å
216	R	90.6	Very high	88.4	Confident	46 Å²	46	42.1 Å²	42.1	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-38.7	176.9	-176.4	172.1	62.8	-156.9	-6.2	113.3	V207 D208 C212 A214 R220	V207-R216 HydrophobicContact CG1-CB 3.79Å; V207-R216 HydrophobicContact CG1-CG 3.9Å; D208-R216 PolarHBondContact O-NH1 3.26Å; D208-R216 VanDerWaalsContact O-NH1 3.14Å; D208-R216 IonicContact OD1-NH1 2.59Å; D208-R216 PolarHBondContact OD1-NH1 3.44Å; D208-R216 VanDerWaalsContact OD1-NH1 3.17Å; C212-R216 PolarHBondContact O-N 3.5Å; A214-R216 VanDerWaalsContact C-N 3.27Å; A214-R216 PolarHBondContact O-N 2.91Å; R216-R220 WeakPolarHBondContact O-CB 3.3Å; R216-R220 PolarHBondContact O-N 3.43Å; R216-R220 VanDerWaalsContact O-N 3.13Å
217	R	85.9	Confident	88.2	Confident	98 Å²	98	45.4 Å²	45.4	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-67.7	-48.2	176.5	-71.9	167.9	-171.5	172	2.2	109.8	G213 A214 V215 L219 R220 Q221	G213-R217 VanDerWaalsContact O-CG 3.27Å; G213-R217 WeakPolarHBondContact O-CG 3.24Å; G213-R217 PolarHBondContact O-N 3.48Å; G213-R217 VanDerWaalsContact O-N 3.14Å; A214-R217 WeakPolarHBondContact O-CB 3.32Å; A214-R217 PolarHBondContact O-N 3.05Å; V215-R217 PolarHBondContact O-N 3.42Å; R217-L219 PolarHBondContact O-N 2.96Å; R217-R220 WeakPolarHBondContact O-CB 3.47Å; R217-R220 PolarHBondContact O-N 3.02Å; R217-R220 VanDerWaalsContact O-N 3.15Å; R217-Q221 VanDerWaalsContact O-CG 3.26Å; R217-Q221 WeakPolarHBondContact O-CG 3.06Å; R217-Q221 PolarHBondContact O-N 3.19Å; R217-Q221 PolarHBondContact O-OE1 3.06Å
218	N	85.9	Confident	87.8	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-50	177.6	-59.6	-17.9	0	0	0	111	A214 V215 R220 Q221 L222 S566 L567	A214-N218 VanDerWaalsContact O-CG 3.23Å; A214-N218 PolarHBondContact O-N 3.34Å; A214-N218 PolarHBondContact O-ND2 3.37Å; A214-N218 PolarHBondContact O-OD1 3.33Å; V215-N218 PolarHBondContact O-N 3.11Å; N218-R220 VanDerWaalsContact C-N 3.33Å; N218-R220 PolarHBondContact O-N 3.03Å; N218-Q221 PolarHBondContact O-N 2.95Å; N218-Q221 VanDerWaalsContact O-N 3.13Å; N218-L222 WeakPolarHBondContact O-CG 3.47Å; N218-L222 PolarHBondContact O-N 3.21Å; N218-S566 PolarHBondContact ND2-OG 3.45Å; N218-L567 HydrophobicContact CB-CD2 4.05Å; N218-L567 WeakPolarHBondContact ND2-CD2 3.41Å
219	L	89.3	Confident	87.6	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-43.6	176.3	-89.4	163.2	0	0	0	112.9	V207 V215 R217 Q221 L222 F223 T570 I573 F574	V207-L219 HydrophobicContact CG1-CD1 4.1Å; V207-L219 HydrophobicContact CG2-CD1 3.68Å; V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 WeakPolarHBondContact O-CB 3.38Å; V215-L219 PolarHBondContact O-N 3.1Å; R217-L219 PolarHBondContact O-N 2.96Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.06Å; L219-L222 WeakPolarHBondContact O-CB 3.29Å; L219-L222 PolarHBondContact O-N 2.76Å; L219-F223 HydrophobicContact CD2-CE2 4.08Å; L219-F223 WeakPolarHBondContact O-CD2 3.31Å; L219-F223 PolarHBondContact O-N 3.35Å; L219-F223 VanDerWaalsContact O-N 3.1Å; L219-T570 HydrophobicContact CD2-CG2 3.94Å; L219-T570 HydrophobicContact CG-CG2 3.76Å; L219-I573 HydrophobicContact CD1-CD1 4.12Å; L219-I573 HydrophobicContact CD1-CG2 4.37Å; L219-F574 HydrophobicContact CD2-CE2 3.59Å; L219-F574 HydrophobicContact CD2-CZ 3.61Å
220	R	88.8	Confident	87.6	Confident	126 Å²	126	50.4 Å²	50.4	48%	0.475	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-44	177	-178.4	-175.4	-57.7	-80.2	-11.9	111.5	R216 R217 N218 L222 F223 Q224	R216-R220 WeakPolarHBondContact O-CB 3.3Å; R216-R220 PolarHBondContact O-N 3.43Å; R216-R220 VanDerWaalsContact O-N 3.13Å; R217-R220 WeakPolarHBondContact O-CB 3.47Å; R217-R220 PolarHBondContact O-N 3.02Å; R217-R220 VanDerWaalsContact O-N 3.15Å; N218-R220 VanDerWaalsContact C-N 3.33Å; N218-R220 PolarHBondContact O-N 3.03Å; R220-L222 VanDerWaalsContact C-N 3.32Å; R220-F223 PolarHBondContact O-N 2.95Å; R220-Q224 HydrophobicContact CG-CG 4.26Å; R220-Q224 WeakPolarHBondContact O-CB 3.48Å; R220-Q224 VanDerWaalsContact O-CG 3.28Å; R220-Q224 WeakPolarHBondContact O-CG 3.33Å; R220-Q224 PolarHBondContact O-N 3.24Å
221	Q	84.1	Confident	87.6	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-38.3	-179.9	-66.8	170.4	-54.8	0	0	111.4	R217 N218 L219 Q224 S225 F320 V323	R217-Q221 VanDerWaalsContact O-CG 3.26Å; R217-Q221 WeakPolarHBondContact O-CG 3.06Å; R217-Q221 PolarHBondContact O-N 3.19Å; R217-Q221 PolarHBondContact O-OE1 3.06Å; N218-Q221 PolarHBondContact O-N 2.95Å; N218-Q221 VanDerWaalsContact O-N 3.13Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.06Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q221-S225 PolarHBondContact O-N 3.4Å; Q221-S225 PolarHBondContact O-OG 2.98Å; Q221-F320 HydrophobicContact CB-CD2 4.18Å; Q221-F320 HydrophobicContact CB-CE2 3.66Å; Q221-F320 HydrophobicContact CB-CZ 4.47Å; Q221-V323 HydrophobicContact CB-CG1 4.32Å; Q221-V323 HydrophobicContact CG-CG1 3.93Å
222	L	86.6	Confident	87.7	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-46.7	172.1	-66.8	173.4	0	0	0	111.6	N218 L219 R220 S225 L226 T570 F574 V675 I678	N218-L222 WeakPolarHBondContact O-CG 3.47Å; N218-L222 PolarHBondContact O-N 3.21Å; L219-L222 WeakPolarHBondContact O-CB 3.29Å; L219-L222 PolarHBondContact O-N 2.76Å; R220-L222 VanDerWaalsContact C-N 3.32Å; L222-S225 PolarHBondContact O-N 3.39Å; L222-S225 PolarHBondContact O-OG 3.04Å; L222-L226 PolarHBondContact O-N 2.79Å; L222-T570 HydrophobicContact CD1-CG2 3.59Å; L222-F574 HydrophobicContact CD1-CE2 3.92Å; L222-F574 HydrophobicContact CD1-CZ 4.42Å; L222-V675 HydrophobicContact CD1-CG1 4.5Å; L222-V675 HydrophobicContact CD1-CG2 4.34Å; L222-I678 HydrophobicContact CD2-CB 3.81Å; L222-I678 HydrophobicContact CD2-CD1 3.32Å; L222-I678 HydrophobicContact CD2-CG1 4.14Å; L222-I678 HydrophobicContact CD2-CG2 3.59Å
223	F	87.9	Confident	87.7	Confident	122 Å²	122	49.4 Å²	49.4	54%	0.535	25%	0.248	S	C	.	.	H	α-helix	trans	-72.2	-27.8	178.2	-73.6	-63.7	0	0	0	113.7	L219 R220 L226 F574	L219-F223 HydrophobicContact CD2-CE2 4.08Å; L219-F223 WeakPolarHBondContact O-CD2 3.31Å; L219-F223 PolarHBondContact O-N 3.35Å; L219-F223 VanDerWaalsContact O-N 3.1Å; R220-F223 PolarHBondContact O-N 2.95Å; F223-L226 HydrophobicContact CD1-CD2 4.35Å; F223-L226 WeakPolarHBondContact O-CB 3.41Å; F223-L226 PolarHBondContact O-N 3.31Å; F223-F574 HydrophobicContact CZ-CE1 4.25Å; F223-F574 HydrophobicContact CZ-CZ 4.28Å
224	Q	87.8	Confident	87.9	Confident	101 Å²	101	54.7 Å²	54.7	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-73.8	-27.2	176.7	-76.9	176	-39.5	0	0	113.1	R220 Q221 P227 V323	R220-Q224 HydrophobicContact CG-CG 4.26Å; R220-Q224 WeakPolarHBondContact O-CB 3.48Å; R220-Q224 VanDerWaalsContact O-CG 3.28Å; R220-Q224 WeakPolarHBondContact O-CG 3.33Å; R220-Q224 PolarHBondContact O-N 3.24Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q224-P227 WeakPolarHBondContact O-CD 3.49Å; Q224-V323 HydrophobicContact CB-CG1 4.48Å
225	S	85.3	Confident	88.2	Confident	3 Å²	3	56 Å²	56	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-85.3	-8.8	174.4	44.7	0	0	0	0	113.2	Q221 L222 P227	Q221-S225 PolarHBondContact O-N 3.4Å; Q221-S225 PolarHBondContact O-OG 2.98Å; L222-S225 PolarHBondContact O-N 3.39Å; L222-S225 PolarHBondContact O-OG 3.04Å; S225-P227 VanDerWaalsContact C-CD 3.48Å
226	L	85.2	Confident	88.3	Confident	61 Å²	61	56 Å²	56	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-35.6	-178	-166.4	68.2	0	0	0	115	L222 F223 F229 I230	L222-L226 PolarHBondContact O-N 2.79Å; F223-L226 HydrophobicContact CD1-CD2 4.35Å; F223-L226 WeakPolarHBondContact O-CB 3.41Å; F223-L226 PolarHBondContact O-N 3.31Å; L226-F229 HydrophobicContact CD1-CD1 3.91Å; L226-F229 WeakPolarHBondContact O-CB 3.46Å; L226-F229 PolarHBondContact O-N 3.03Å; L226-I230 HydrophobicContact CD2-CD1 4.41Å; L226-I230 HydrophobicContact CG-CD1 4.05Å; L226-I230 HydrophobicContact CG-CG1 4.32Å; L226-I230 WeakPolarHBondContact O-CG1 3.46Å; L226-I230 PolarHBondContact O-N 3.33Å
227	P	88.8	Confident	88.4	Confident	77 Å²	77	56.8 Å²	56.8	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-51.1	179.8	-27.3	36.9	0	0	0	113.2	Q224 S225 F229 I230 D231	Q224-P227 WeakPolarHBondContact O-CD 3.49Å; S225-P227 VanDerWaalsContact C-CD 3.48Å; P227-F229 PolarHBondContact O-N 2.97Å; P227-I230 WeakPolarHBondContact O-CB 3.24Å; P227-I230 PolarHBondContact O-N 3.41Å; P227-D231 PolarHBondContact O-N 2.99Å
228	S	86.7	Confident	88.8	Confident	40 Å²	40	57.9 Å²	57.9	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-29	177.9	-50.4	0	0	0	0	112.8
229	F	86.4	Confident	89.2	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-41.8	172.8	174.2	-98.1	0	0	0	112.3	L226 P227 D231 I232 L233 L312 V316 I670 V674	L226-F229 HydrophobicContact CD1-CD1 3.91Å; L226-F229 WeakPolarHBondContact O-CB 3.46Å; L226-F229 PolarHBondContact O-N 3.03Å; P227-F229 PolarHBondContact O-N 2.97Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 3.27Å; F229-I232 PolarHBondContact O-N 3.13Å; F229-L233 HydrophobicContact CD1-CB 4.48Å; F229-L233 HydrophobicContact CE1-CB 4.13Å; F229-L233 HydrophobicContact CE1-CD2 3.76Å; F229-L233 HydrophobicContact CE1-CG 4.36Å; F229-L233 HydrophobicContact CZ-CB 4.31Å; F229-L233 HydrophobicContact CZ-CD1 4.3Å; F229-L233 HydrophobicContact CZ-CD2 4.31Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.36Å; F229-L233 PolarHBondContact O-N 3.49Å; F229-L312 HydrophobicContact CD2-CD1 3.39Å; F229-L312 HydrophobicContact CD2-CD2 4.22Å; F229-L312 HydrophobicContact CD2-CG 3.81Å; F229-L312 HydrophobicContact CE2-CD1 3.53Å; F229-L312 HydrophobicContact CE2-CD2 3.49Å; F229-L312 VanDerWaalsContact CE2-CD2 3.49Å; F229-L312 HydrophobicContact CE2-CG 3.59Å; F229-L312 HydrophobicContact CG-CD1 4.29Å; F229-L312 HydrophobicContact CZ-CD1 4.5Å; F229-L312 HydrophobicContact CZ-CD2 4.23Å; F229-V316 HydrophobicContact CB-CG2 3.97Å; F229-V316 HydrophobicContact CD2-CG2 3.65Å; F229-V316 HydrophobicContact CG-CG2 4.28Å; F229-I670 HydrophobicContact CE1-CG2 3.7Å; F229-I670 HydrophobicContact CZ-CG2 3.75Å; F229-V674 HydrophobicContact CD1-CG2 4.06Å; F229-V674 HydrophobicContact CD2-CG2 3.59Å; F229-V674 HydrophobicContact CE1-CG2 3.63Å; F229-V674 HydrophobicContact CE2-CG2 3.1Å; F229-V674 HydrophobicContact CG-CG2 4.04Å; F229-V674 HydrophobicContact CZ-CG2 3.15Å
230	I	88.9	Confident	89.5	Confident	86 Å²	86	60.4 Å²	60.4	44%	0.441	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-38.5	-178.4	-70.5	165.7	0	0	0	110.9	L226 P227 I232 L233 L234	L226-I230 HydrophobicContact CD2-CD1 4.41Å; L226-I230 HydrophobicContact CG-CD1 4.05Å; L226-I230 HydrophobicContact CG-CG1 4.32Å; L226-I230 WeakPolarHBondContact O-CG1 3.46Å; L226-I230 PolarHBondContact O-N 3.33Å; P227-I230 WeakPolarHBondContact O-CB 3.24Å; P227-I230 PolarHBondContact O-N 3.41Å; I230-I232 PolarHBondContact O-N 3.48Å; I230-L233 PolarHBondContact O-N 3.48Å; I230-L234 WeakPolarHBondContact O-CB 3.28Å; I230-L234 PolarHBondContact O-N 3.17Å
231	D	89.6	Confident	89.9	Confident	115 Å²	115	57.5 Å²	57.5	62%	0.615	30%	0.296	S	S	*	.	H	α-helix	trans	-62.3	-45.6	-179.2	-64.3	-26.5	0	0	0	112.4	P227 F229 L234 L235	P227-D231 PolarHBondContact O-N 2.99Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 3.27Å; D231-L234 PolarHBondContact O-N 2.99Å; D231-L235 PolarHBondContact O-N 3.44Å
232	I	90	Very high	90.5	Very high	22 Å²	22	60.6 Å²	60.6	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-77.7	-33.1	179.3	-55.3	167.8	0	0	0	110.9	F229 I230 L234 L235 L236 I308 L312 V315	F229-I232 PolarHBondContact O-N 3.13Å; I230-I232 PolarHBondContact O-N 3.48Å; I232-L234 VanDerWaalsContact C-N 3.25Å; I232-L234 PolarHBondContact O-N 3.27Å; I232-L235 WeakPolarHBondContact O-CB 3.32Å; I232-L235 PolarHBondContact O-N 3.23Å; I232-L236 PolarHBondContact O-N 3.47Å; I232-I308 HydrophobicContact CG2-CG2 4.35Å; I232-L312 HydrophobicContact CB-CD1 3.47Å; I232-L312 VanDerWaalsContact CB-CD1 3.47Å; I232-L312 HydrophobicContact CD1-CD1 4.4Å; I232-L312 HydrophobicContact CG2-CB 3.88Å; I232-L312 HydrophobicContact CG2-CD1 3.57Å; I232-L312 HydrophobicContact CG2-CG 4.34Å; I232-V315 HydrophobicContact CD1-CB 3.47Å; I232-V315 VanDerWaalsContact CD1-CB 3.47Å; I232-V315 HydrophobicContact CD1-CG1 3.7Å; I232-V315 HydrophobicContact CD1-CG2 3.53Å
233	L	90	Very high	91	Very high	29 Å²	29	61 Å²	61	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-39.8	171.1	178.5	68.1	0	0	0	110.8	F229 I230 L235 L236 L237 I670	F229-L233 HydrophobicContact CD1-CB 4.48Å; F229-L233 HydrophobicContact CE1-CB 4.13Å; F229-L233 HydrophobicContact CE1-CD2 3.76Å; F229-L233 HydrophobicContact CE1-CG 4.36Å; F229-L233 HydrophobicContact CZ-CB 4.31Å; F229-L233 HydrophobicContact CZ-CD1 4.3Å; F229-L233 HydrophobicContact CZ-CD2 4.31Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.36Å; F229-L233 PolarHBondContact O-N 3.49Å; I230-L233 PolarHBondContact O-N 3.48Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L236 HydrophobicContact CD1-CD2 4.38Å; L233-L236 WeakPolarHBondContact O-CB 3.44Å; L233-L236 PolarHBondContact O-N 3.19Å; L233-L237 HydrophobicContact CD1-CD1 4.44Å; L233-L237 HydrophobicContact CD1-CG 4.32Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 VanDerWaalsContact O-CG 3.3Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.47Å; L233-I670 HydrophobicContact CD1-CD1 4.25Å; L233-I670 HydrophobicContact CD2-CD1 4.39Å; L233-I670 HydrophobicContact CD2-CG2 4.14Å
234	L	91.8	Very high	91.4	Very high	119 Å²	119	55.2 Å²	55.2	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-63.1	-42.1	175.9	-173.5	152.6	0	0	0	111.1	I230 D231 I232 L236 L237 F238	I230-L234 WeakPolarHBondContact O-CB 3.28Å; I230-L234 PolarHBondContact O-N 3.17Å; D231-L234 PolarHBondContact O-N 2.99Å; I232-L234 VanDerWaalsContact C-N 3.25Å; I232-L234 PolarHBondContact O-N 3.27Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 2.93Å; L234-L237 PolarHBondContact O-N 3.16Å; L234-F238 VanDerWaalsContact O-CB 3.31Å; L234-F238 WeakPolarHBondContact O-CB 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å
235	L	91.8	Very high	91.8	Very high	71 Å²	71	54.5 Å²	54.5	37%	0.372	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-44.3	173.8	-176	66.5	0	0	0	112	D231 I232 L233 F238 F239	D231-L235 PolarHBondContact O-N 3.44Å; I232-L235 WeakPolarHBondContact O-CB 3.32Å; I232-L235 PolarHBondContact O-N 3.23Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L235-F238 WeakPolarHBondContact O-CB 3.28Å; L235-F238 PolarHBondContact O-N 2.85Å; L235-F239 HydrophobicContact CD1-CD2 4.04Å; L235-F239 HydrophobicContact CD1-CE2 3.63Å; L235-F239 HydrophobicContact CG-CD2 4.14Å; L235-F239 HydrophobicContact CG-CE2 4.03Å; L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 3.34Å; L235-F239 VanDerWaalsContact O-N 3.12Å
236	L	92.4	Very high	92.3	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-49.7	176.6	179	143.3	0	0	0	111.9	I232 L233 L234 F238 F239 M240 L274 I308 M309	I232-L236 PolarHBondContact O-N 3.47Å; L233-L236 HydrophobicContact CD1-CD2 4.38Å; L233-L236 WeakPolarHBondContact O-CB 3.44Å; L233-L236 PolarHBondContact O-N 3.19Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 2.93Å; L236-F238 PolarHBondContact O-N 3.07Å; L236-F239 PolarHBondContact O-N 3.02Å; L236-M240 WeakPolarHBondContact O-CB 3.49Å; L236-M240 PolarHBondContact O-N 2.95Å; L236-L274 HydrophobicContact CD1-CD1 4.21Å; L236-L274 HydrophobicContact CD1-CD2 4.06Å; L236-L274 HydrophobicContact CD2-CD2 3.82Å; L236-L274 HydrophobicContact CG-CD2 4.39Å; L236-I308 HydrophobicContact CB-CG2 3.81Å; L236-I308 HydrophobicContact CD1-CG2 4.04Å; L236-I308 HydrophobicContact CG-CG2 4.34Å; L236-M309 HydrophobicContact CD1-CG 3.67Å; L236-M309 HydrophobicContact CD1-SD 3.21Å; L236-M309 WeakPolarHBondContact CD1-SD 2.98Å
237	L	92.4	Very high	92.8	Very high	63 Å²	63	55.3 Å²	55.3	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-33.1	179.2	-67.6	174.9	0	0	0	111.3	L233 L234 M240 V241	L233-L237 HydrophobicContact CD1-CD1 4.44Å; L233-L237 HydrophobicContact CD1-CG 4.32Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 VanDerWaalsContact O-CG 3.3Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.47Å; L234-L237 PolarHBondContact O-N 3.16Å; L237-M240 HydrophobicContact CD2-CE 3.51Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.42Å; L237-V241 PolarHBondContact O-N 3.37Å
238	F	95.1	Very high	93.1	Very high	121 Å²	121	54.9 Å²	54.9	53%	0.531	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-50.9	175.9	176.2	-102.8	0	0	0	112.6	L234 L235 L236 M240 V241 I242	L234-F238 VanDerWaalsContact O-CB 3.31Å; L234-F238 WeakPolarHBondContact O-CB 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å; L235-F238 WeakPolarHBondContact O-CB 3.28Å; L235-F238 PolarHBondContact O-N 2.85Å; L236-F238 PolarHBondContact O-N 3.07Å; F238-M240 VanDerWaalsContact C-N 3.31Å; F238-M240 PolarHBondContact O-N 3.49Å; F238-V241 PolarHBondContact O-N 2.8Å; F238-I242 HydrophobicContact CD1-CD1 3.97Å; F238-I242 HydrophobicContact CE1-CD1 3.46Å; F238-I242 VanDerWaalsContact CE1-CD1 3.46Å; F238-I242 HydrophobicContact CE2-CD1 4.28Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 WeakPolarHBondContact O-CG1 3.48Å; F238-I242 PolarHBondContact O-N 2.89Å
239	F	94.9	Very high	93.4	Very high	66 Å²	66	57.2 Å²	57.2	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-37.9	176.5	-81.8	-74.3	0	0	0	111.9	L235 L236 V241 I242 F243 E304 I308	L235-F239 HydrophobicContact CD1-CD2 4.04Å; L235-F239 HydrophobicContact CD1-CE2 3.63Å; L235-F239 HydrophobicContact CG-CD2 4.14Å; L235-F239 HydrophobicContact CG-CE2 4.03Å; L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 3.34Å; L235-F239 VanDerWaalsContact O-N 3.12Å; L236-F239 PolarHBondContact O-N 3.02Å; F239-V241 VanDerWaalsContact C-N 3.32Å; F239-V241 PolarHBondContact O-N 2.86Å; F239-I242 WeakPolarHBondContact O-CB 3.4Å; F239-I242 PolarHBondContact O-N 3.21Å; F239-I242 VanDerWaalsContact O-N 3.15Å; F239-F243 WeakPolarHBondContact O-CD2 3.25Å; F239-F243 PolarHBondContact O-N 2.92Å; F239-E304 WeakPolarHBondContact CB-OE1 3.44Å; F239-I308 HydrophobicContact CB-CD1 4.34Å; F239-I308 HydrophobicContact CD2-CD1 3.55Å; F239-I308 HydrophobicContact CE2-CD1 4.1Å; F239-I308 HydrophobicContact CG-CD1 4.13Å
240	M	95.6	Very high	93.7	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.069	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-41.9	177.8	-178.2	-173.9	68.2	0	0	111.4	L236 L237 F238 F243 A244 L270 F271 E304	L236-M240 WeakPolarHBondContact O-CB 3.49Å; L236-M240 PolarHBondContact O-N 2.95Å; L237-M240 HydrophobicContact CD2-CE 3.51Å; F238-M240 VanDerWaalsContact C-N 3.31Å; F238-M240 PolarHBondContact O-N 3.49Å; M240-F243 PolarHBondContact O-N 2.89Å; M240-A244 VanDerWaalsContact O-CB 3.31Å; M240-A244 WeakPolarHBondContact O-CB 3.27Å; M240-A244 PolarHBondContact O-N 3.35Å; M240-L270 HydrophobicContact CG-CB 4.39Å; M240-F271 HydrophobicContact CE-CD2 4.25Å; M240-F271 HydrophobicContact SD-CB 3.87Å; M240-F271 HydrophobicContact SD-CD2 3.77Å; M240-F271 HydrophobicContact SD-CG 4.32Å; M240-E304 WeakPolarHBondContact CA-OE1 3.49Å; M240-E304 PolarHBondContact N-OE1 2.73Å
241	V	96.4	Very high	94	Very high	64 Å²	64	57.6 Å²	57.6	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-41.4	176	170.5	0	0	0	0	111.3	L237 F238 F239 A244 I245 L267	L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.42Å; L237-V241 PolarHBondContact O-N 3.37Å; F238-V241 PolarHBondContact O-N 2.8Å; F239-V241 VanDerWaalsContact C-N 3.32Å; F239-V241 PolarHBondContact O-N 2.86Å; V241-A244 PolarHBondContact O-N 2.97Å; V241-I245 HydrophobicContact CG1-CD1 3.92Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 2.96Å; V241-L267 HydrophobicContact CB-CD2 4.44Å; V241-L267 HydrophobicContact CG2-CD2 3.86Å
242	I	96.8	Very high	94.1	Very high	76 Å²	76	54.3 Å²	54.3	39%	0.39	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-48.9	175.9	-68.2	170.6	0	0	0	110.7	F238 F239 A244 I245 L246	F238-I242 HydrophobicContact CD1-CD1 3.97Å; F238-I242 HydrophobicContact CE1-CD1 3.46Å; F238-I242 VanDerWaalsContact CE1-CD1 3.46Å; F238-I242 HydrophobicContact CE2-CD1 4.28Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 WeakPolarHBondContact O-CG1 3.48Å; F238-I242 PolarHBondContact O-N 2.89Å; F239-I242 WeakPolarHBondContact O-CB 3.4Å; F239-I242 PolarHBondContact O-N 3.21Å; F239-I242 VanDerWaalsContact O-N 3.15Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.27Å; I242-I245 PolarHBondContact O-N 3.24Å; I242-L246 WeakPolarHBondContact O-CB 3.28Å; I242-L246 PolarHBondContact O-N 2.68Å
243	F	97.1	Very high	94.1	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-67	-31.7	178.6	-82.6	-73.6	0	0	0	112.6	F239 M240 L246 G247 L270 F296 V299 Y300 I303	F239-F243 WeakPolarHBondContact O-CD2 3.25Å; F239-F243 PolarHBondContact O-N 2.92Å; M240-F243 PolarHBondContact O-N 2.89Å; F243-L246 HydrophobicContact CD1-CD2 4.45Å; F243-L246 PolarHBondContact O-N 3.43Å; F243-G247 PolarHBondContact O-N 3.42Å; F243-L270 VanDerWaalsContact C-CD1 3.42Å; F243-L270 HydrophobicContact CB-CD1 3.82Å; F243-F296 HydrophobicContact CB-CZ 4.47Å; F243-F296 HydrophobicContact CD1-CD2 4.42Å; F243-F296 AromaticContact CD1-CE2 3.79Å; F243-F296 HydrophobicContact CD1-CE2 3.79Å; F243-F296 HydrophobicContact CD1-CZ 4.19Å; F243-F296 WeakPolarHBondContact O-CZ 3.26Å; F243-V299 HydrophobicContact CE1-CG1 4.4Å; F243-V299 HydrophobicContact CZ-CG1 4.17Å; F243-Y300 HydrophobicContact CB-CD2 3.77Å; F243-Y300 HydrophobicContact CB-CE2 4.09Å; F243-Y300 HydrophobicContact CD1-CD2 4.19Å; F243-Y300 AromaticContact CD2-CD2 3.82Å; F243-Y300 HydrophobicContact CD2-CD2 3.82Å; F243-Y300 HydrophobicContact CD2-CE2 4.38Å; F243-Y300 HydrophobicContact CE2-CD2 4.46Å; F243-Y300 AromaticContact CG-CD2 3.67Å; F243-Y300 HydrophobicContact CG-CD2 3.67Å; F243-Y300 HydrophobicContact CG-CE2 4.36Å; F243-I303 HydrophobicContact CZ-CD1 4.25Å
244	A	96.6	Very high	93.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-45.4	175.2	0	0	0	0	0	111.5	M240 V241 I242 L246 G247 F248 S266 L267 L270	M240-A244 VanDerWaalsContact O-CB 3.31Å; M240-A244 WeakPolarHBondContact O-CB 3.27Å; M240-A244 PolarHBondContact O-N 3.35Å; V241-A244 PolarHBondContact O-N 2.97Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.27Å; A244-L246 PolarHBondContact O-N 3Å; A244-G247 PolarHBondContact O-N 3.4Å; A244-F248 VanDerWaalsContact O-CB 3.31Å; A244-F248 WeakPolarHBondContact O-CB 3.36Å; A244-F248 PolarHBondContact O-N 3.18Å; A244-S266 PolarHBondContact O-OG 2.96Å; A244-L267 HydrophobicContact CB-CB 4.48Å; A244-L267 HydrophobicContact CB-CD2 3.42Å; A244-L267 VanDerWaalsContact CB-CD2 3.42Å; A244-L267 HydrophobicContact CB-CG 3.72Å; A244-L270 VanDerWaalsContact CA-CD1 3.45Å; A244-L270 HydrophobicContact CB-CD1 3.93Å; A244-L270 VanDerWaalsContact N-CD1 3.29Å
245	I	96.8	Very high	93.4	Very high	85 Å²	85	59.7 Å²	59.7	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-47.2	174.7	-65.8	165.3	0	0	0	110.1	V241 I242 F248 C249 L263	V241-I245 HydrophobicContact CG1-CD1 3.92Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 2.96Å; I242-I245 PolarHBondContact O-N 3.24Å; I245-F248 PolarHBondContact O-N 3.19Å; I245-C249 PolarHBondContact O-N 3.07Å; I245-C249 PolarHBondContact O-SG 3.21Å; I245-C249 VanDerWaalsContact O-SG 3.34Å; I245-L263 HydrophobicContact CG1-CD1 4.01Å
246	L	95.9	Very high	92.9	Very high	82 Å²	82	59.8 Å²	59.8	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-46.2	178.1	-179.3	61.9	0	0	0	112	I242 F243 A244 C249 L250 F296	I242-L246 WeakPolarHBondContact O-CB 3.28Å; I242-L246 PolarHBondContact O-N 2.68Å; F243-L246 HydrophobicContact CD1-CD2 4.45Å; F243-L246 PolarHBondContact O-N 3.43Å; A244-L246 PolarHBondContact O-N 3Å; L246-C249 PolarHBondContact O-N 3.14Å; L246-L250 WeakPolarHBondContact O-CB 3.32Å; L246-L250 PolarHBondContact O-N 3.43Å; L246-F296 HydrophobicContact CB-CE2 4.35Å; L246-F296 HydrophobicContact CD2-CD2 4.24Å; L246-F296 HydrophobicContact CD2-CE2 4.03Å; L246-F296 HydrophobicContact CG-CD2 4.49Å; L246-F296 HydrophobicContact CG-CE2 4.07Å
247	G	94.8	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-42.8	178.8	0	0	0	0	0	112.1	F243 A244 L250 F251	F243-G247 PolarHBondContact O-N 3.42Å; A244-G247 PolarHBondContact O-N 3.4Å; G247-L250 PolarHBondContact O-N 3.42Å; G247-F251 WeakPolarHBondContact O-CB 3.37Å; G247-F251 VanDerWaalsContact O-CD2 3.31Å; G247-F251 WeakPolarHBondContact O-CD2 2.94Å; G247-F251 PolarHBondContact O-N 2.67Å
248	F	95.4	Very high	92.1	Very high	68 Å²	68	59.8 Å²	59.8	30%	0.298	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-48.4	173.1	175.8	-105.2	0	0	0	111.4	A244 I245 L250 S252	A244-F248 VanDerWaalsContact O-CB 3.31Å; A244-F248 WeakPolarHBondContact O-CB 3.36Å; A244-F248 PolarHBondContact O-N 3.18Å; I245-F248 PolarHBondContact O-N 3.19Å; F248-L250 VanDerWaalsContact C-N 3.27Å; F248-L250 PolarHBondContact O-N 2.7Å; F248-S252 WeakPolarHBondContact O-CB 3.37Å; F248-S252 PolarHBondContact O-N 2.88Å; F248-S252 VanDerWaalsContact O-N 3.09Å; F248-S252 PolarHBondContact O-OG 3.08Å
249	C	93.5	Very high	92	Very high	88 Å²	88	56.8 Å²	56.8	60%	0.595	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-33.2	177.6	-70.5	0	0	0	0	113.2	I245 L246	I245-C249 PolarHBondContact O-N 3.07Å; I245-C249 PolarHBondContact O-SG 3.21Å; I245-C249 VanDerWaalsContact O-SG 3.34Å; L246-C249 PolarHBondContact O-N 3.14Å
250	L	92.9	Very high	91.9	Very high	91 Å²	91	53.7 Å²	53.7	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-87.2	-35.3	-174	-153.9	133	0	0	0	113.3	L246 G247 F248	L246-L250 WeakPolarHBondContact O-CB 3.32Å; L246-L250 PolarHBondContact O-N 3.43Å; G247-L250 PolarHBondContact O-N 3.42Å; F248-L250 VanDerWaalsContact C-N 3.27Å; F248-L250 PolarHBondContact O-N 2.7Å
251	F	94.3	Very high	91.6	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-112.1	-17	-169.6	-57.4	-57.9	0	0	0	115.1	G247 T253 N254 F260 A286 F296 F297	G247-F251 WeakPolarHBondContact O-CB 3.37Å; G247-F251 VanDerWaalsContact O-CD2 3.31Å; G247-F251 WeakPolarHBondContact O-CD2 2.94Å; G247-F251 PolarHBondContact O-N 2.67Å; F251-T253 PolarHBondContact O-N 2.95Å; F251-N254 WeakPolarHBondContact O-CB 3.11Å; F251-N254 PolarHBondContact O-N 3.31Å; F251-F260 HydrophobicContact CB-CB 3.72Å; F251-F260 HydrophobicContact CB-CD2 4.04Å; F251-F260 HydrophobicContact CB-CG 3.91Å; F251-F260 HydrophobicContact CD2-CD1 4.27Å; F251-F260 HydrophobicContact CD2-CD2 4.01Å; F251-F260 HydrophobicContact CD2-CE1 4.38Å; F251-F260 HydrophobicContact CD2-CE2 4.12Å; F251-F260 HydrophobicContact CD2-CG 4.09Å; F251-F260 HydrophobicContact CD2-CZ 4.31Å; F251-F260 HydrophobicContact CG-CD2 4.33Å; F251-F260 HydrophobicContact CG-CG 4.45Å; F251-A286 HydrophobicContact CD1-CB 3.61Å; F251-A286 HydrophobicContact CE1-CB 3.49Å; F251-A286 VanDerWaalsContact CE1-CB 3.49Å; F251-A286 HydrophobicContact CG-CB 4.38Å; F251-A286 HydrophobicContact CZ-CB 4.18Å; F251-F296 HydrophobicContact CE2-CB 4.43Å; F251-F296 AromaticContact CE2-CD1 3.62Å; F251-F296 HydrophobicContact CE2-CD1 3.62Å; F251-F296 HydrophobicContact CE2-CD2 4.39Å; F251-F296 AromaticContact CE2-CE1 3.9Å; F251-F296 HydrophobicContact CE2-CE1 3.9Å; F251-F296 AromaticContact CE2-CG 3.89Å; F251-F296 HydrophobicContact CE2-CG 3.89Å; F251-F296 HydrophobicContact CE2-CZ 4.4Å; F251-F296 HydrophobicContact CZ-CB 4.17Å; F251-F296 HydrophobicContact CZ-CD1 4.12Å; F251-F296 HydrophobicContact CZ-CG 4.14Å; F251-F297 HydrophobicContact CE2-CE2 4.17Å; F251-F297 HydrophobicContact CE2-CZ 4.14Å; F251-F297 AromaticContact CZ-CE2 3.98Å; F251-F297 HydrophobicContact CZ-CE2 3.98Å; F251-F297 HydrophobicContact CZ-CZ 4.39Å
252	S	92.1	Very high	91.4	Very high	45 Å²	45	55 Å²	55	32%	0.315	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.2	-178	57.7	0	0	0	0	114.9	F248 N254 F260	F248-S252 WeakPolarHBondContact O-CB 3.37Å; F248-S252 PolarHBondContact O-N 2.88Å; F248-S252 VanDerWaalsContact O-N 3.09Å; F248-S252 PolarHBondContact O-OG 3.08Å; S252-N254 PolarHBondContact O-N 2.92Å; S252-F260 WeakPolarHBondContact CA-O 3.36Å; S252-F260 WeakPolarHBondContact CB-O 3.46Å
253	T	89.1	Confident	91.2	Very high	106 Å²	106	55.4 Å²	55.4	65%	0.65	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15	176.3	62.6	0	0	0	0	113.6	F251	F251-T253 PolarHBondContact O-N 2.95Å
254	N	86.2	Confident	91	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.15	34%	0.341	C	S	.	.			trans	-89.4	106.6	179.9	-169.2	16.8	0	0	0	111	F251 S252 A256 D257	F251-N254 WeakPolarHBondContact O-CB 3.11Å; F251-N254 PolarHBondContact O-N 3.31Å; S252-N254 PolarHBondContact O-N 2.92Å; N254-A256 PolarHBondContact O-N 3.35Å; N254-A256 PolarHBondContact OD1-N 3.31Å; N254-D257 HydrophobicContact CB-CB 4.08Å; N254-D257 PolarHBondContact O-N 3.39Å; N254-D257 VanDerWaalsContact O-N 3.15Å
255	T	81.2	Confident	90.7	Very high	149 Å²	149	60.5 Å²	60.5	91%	0.914	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.6	178.3	50.9	0	0	0	0	113.8	D257	T255-D257 VanDerWaalsContact C-N 3.3Å
256	A	81.3	Confident	90.6	Very high	73 Å²	73	56.5 Å²	56.5	60%	0.603	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.6	176.5	0	0	0	0	0	113.5	N254 P258	N254-A256 PolarHBondContact O-N 3.35Å; N254-A256 PolarHBondContact OD1-N 3.31Å; A256-P258 WeakPolarHBondContact O-CD 3.25Å
257	D	82.7	Confident	90.6	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	32%	0.323	C	S	.	.			trans	-100.4	108.9	-178.7	-169.9	-18.7	0	0	0	110.8	N254 T255 Y259 F260 P285	N254-D257 HydrophobicContact CB-CB 4.08Å; N254-D257 PolarHBondContact O-N 3.39Å; N254-D257 VanDerWaalsContact O-N 3.15Å; T255-D257 VanDerWaalsContact C-N 3.3Å; D257-Y259 VanDerWaalsContact C-N 3.3Å; D257-Y259 VanDerWaalsContact OD1-CB 3.31Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.48Å; D257-Y259 VanDerWaalsContact OD1-CD2 3.24Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.46Å; D257-Y259 PolarHBondContact OD1-N 3.49Å; D257-F260 PolarHBondContact OD1-N 3.11Å; D257-P285 HydrophobicContact CB-CB 3.97Å
258	P	86.6	Confident	90.6	Very high	62 Å²	62	55.6 Å²	55.6	40%	0.403	33%	0.327	S	S	.	.	S	Bend	trans	-77	-15.2	177.3	32	-34.6	0	0	0	113.2	A256 T599	A256-P258 WeakPolarHBondContact O-CD 3.25Å; P258-T599 HydrophobicContact CB-CG2 4.37Å
259	Y	91.1	Very high	90.5	Very high	57 Å²	57	53 Å²	53	22%	0.224	32%	0.317	C	S	.	.	S	Bend	trans	-84.1	-42.2	-169.4	-55.3	-74.4	0	0	0	112.8	D257 N265 S266 S269 V282 P285	D257-Y259 VanDerWaalsContact C-N 3.3Å; D257-Y259 VanDerWaalsContact OD1-CB 3.31Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.48Å; D257-Y259 VanDerWaalsContact OD1-CD2 3.24Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.46Å; D257-Y259 PolarHBondContact OD1-N 3.49Å; Y259-N265 CarbonylContact O-C 3.6Å; Y259-N265 WeakPolarHBondContact O-CB 3.41Å; Y259-S266 PolarHBondContact O-N 3.06Å; Y259-S269 PolarHBondContact O-OG 2.65Å; Y259-V282 HydrophobicContact CD1-CB 4.47Å; Y259-V282 HydrophobicContact CD1-CG2 4.09Å; Y259-V282 HydrophobicContact CD2-CG2 4.27Å; Y259-V282 HydrophobicContact CG-CB 4.44Å; Y259-V282 HydrophobicContact CG-CG2 3.87Å; Y259-P285 HydrophobicContact CD2-CG 4.29Å; Y259-P285 HydrophobicContact CE2-CG 4.12Å
260	F	93.6	Very high	90.7	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	29%	0.289	C	S	.	.	S	Bend	trans	-104.1	25.7	-176	-65.6	-83.3	0	0	0	114	F251 S252 D257 L270 V282 F296 F297	F251-F260 HydrophobicContact CB-CB 3.72Å; F251-F260 HydrophobicContact CB-CD2 4.04Å; F251-F260 HydrophobicContact CB-CG 3.91Å; F251-F260 HydrophobicContact CD2-CD1 4.27Å; F251-F260 HydrophobicContact CD2-CD2 4.01Å; F251-F260 HydrophobicContact CD2-CE1 4.38Å; F251-F260 HydrophobicContact CD2-CE2 4.12Å; F251-F260 HydrophobicContact CD2-CG 4.09Å; F251-F260 HydrophobicContact CD2-CZ 4.31Å; F251-F260 HydrophobicContact CG-CD2 4.33Å; F251-F260 HydrophobicContact CG-CG 4.45Å; S252-F260 WeakPolarHBondContact CA-O 3.36Å; S252-F260 WeakPolarHBondContact CB-O 3.46Å; D257-F260 PolarHBondContact OD1-N 3.11Å; F260-L270 HydrophobicContact CE1-CD2 4.23Å; F260-L270 HydrophobicContact CE1-CG 4.29Å; F260-L270 HydrophobicContact CZ-CD2 4.08Å; F260-V282 HydrophobicContact CE2-CG2 4.08Å; F260-V282 HydrophobicContact CZ-CG2 4.45Å; F260-F296 HydrophobicContact CZ-CE1 4.35Å; F260-F297 HydrophobicContact CE2-CE1 4.01Å; F260-F297 AromaticContact CE2-CZ 3.82Å; F260-F297 HydrophobicContact CE2-CZ 3.82Å; F260-F297 AromaticContact CZ-CE1 3.95Å; F260-F297 HydrophobicContact CZ-CE1 3.95Å; F260-F297 HydrophobicContact CZ-CZ 4.11Å
261	S	90.3	Very high	90.8	Very high	67 Å²	67	44.8 Å²	44.8	47%	0.469	27%	0.268	S	S	.	.	S	Bend	trans	-73.8	-29.1	-176.7	63	0	0	0	0	114.2	N265	S261-N265 PolarHBondContact OG-ND2 2.87Å
262	S	92.4	Very high	90.9	Very high	40 Å²	40	44.5 Å²	44.5	28%	0.28	27%	0.267	S	S	.	.	S	Bend	trans	-138.5	161.3	177.7	75.9	0	0	0	0	110.7	E264 N265 S266	S262-E264 VanDerWaalsContact C-N 3.28Å; S262-E264 PolarHBondContact O-N 3.02Å; S262-N265 PolarHBondContact O-N 2.82Å; S262-N265 WeakPolarHBondContact OG-CB 3.46Å; S262-N265 VanDerWaalsContact OG-CG 3.22Å; S262-N265 PolarHBondContact OG-N 3.01Å; S262-N265 VanDerWaalsContact OG-N 3.07Å; S262-N265 PolarHBondContact OG-ND2 3.46Å; S262-S266 WeakPolarHBondContact O-CB 3.38Å; S262-S266 PolarHBondContact O-N 2.76Å; S262-S266 PolarHBondContact O-OG 3.37Å
263	L	92.1	Very high	91	Very high	84 Å²	84	42.3 Å²	42.3	44%	0.44	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-41.1	176.6	-176.4	64.1	0	0	0	111.4	I245 S266 L267	I245-L263 HydrophobicContact CG1-CD1 4.01Å; L263-S266 WeakPolarHBondContact CA-OG 3.45Å; L263-S266 PolarHBondContact O-N 2.76Å; L263-S266 PolarHBondContact O-OG 3.13Å; L263-L267 HydrophobicContact CG-CD1 4.38Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.41Å
264	E	92	Very high	91.3	Very high	84 Å²	84	37.5 Å²	37.5	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-48.9	176.3	-173.5	-174.3	166.3	0	0	111.8	S262 S266 L267 V268 H659 R662	S262-E264 VanDerWaalsContact C-N 3.28Å; S262-E264 PolarHBondContact O-N 3.02Å; E264-S266 VanDerWaalsContact C-N 3.27Å; E264-S266 PolarHBondContact O-N 3.06Å; E264-L267 PolarHBondContact O-N 2.69Å; E264-V268 WeakPolarHBondContact O-CG2 3.19Å; E264-V268 PolarHBondContact O-N 3.17Å; E264-H659 IonicContact OE1-CG 3.6Å; E264-H659 IonicContact OE1-ND1 3.23Å; E264-H659 PolarHBondContact OE1-ND1 3.2Å; E264-R662 IonicContact OE1-CZ 2.73Å; E264-R662 IonicContact OE1-NH1 2.66Å; E264-R662 PolarHBondContact OE1-NH1 2.96Å
265	N	91.2	Very high	91.7	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-35.4	179.4	-69.2	-15.7	0	0	0	111.5	Y259 S261 S262 S269	Y259-N265 CarbonylContact O-C 3.6Å; Y259-N265 WeakPolarHBondContact O-CB 3.41Å; S261-N265 PolarHBondContact OG-ND2 2.87Å; S262-N265 PolarHBondContact O-N 2.82Å; S262-N265 WeakPolarHBondContact OG-CB 3.46Å; S262-N265 VanDerWaalsContact OG-CG 3.22Å; S262-N265 PolarHBondContact OG-N 3.01Å; S262-N265 VanDerWaalsContact OG-N 3.07Å; S262-N265 PolarHBondContact OG-ND2 3.46Å; N265-S269 WeakPolarHBondContact O-CB 3.32Å; N265-S269 PolarHBondContact O-N 2.72Å; N265-S269 PolarHBondContact O-OG 2.96Å
266	S	94.9	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-42.6	175.1	72.1	0	0	0	0	112.2	A244 Y259 S262 L263 E264 S269 L270	A244-S266 PolarHBondContact O-OG 2.96Å; Y259-S266 PolarHBondContact O-N 3.06Å; S262-S266 WeakPolarHBondContact O-CB 3.38Å; S262-S266 PolarHBondContact O-N 2.76Å; S262-S266 PolarHBondContact O-OG 3.37Å; L263-S266 WeakPolarHBondContact CA-OG 3.45Å; L263-S266 PolarHBondContact O-N 2.76Å; L263-S266 PolarHBondContact O-OG 3.13Å; E264-S266 VanDerWaalsContact C-N 3.27Å; E264-S266 PolarHBondContact O-N 3.06Å; S266-S269 PolarHBondContact O-N 2.71Å; S266-L270 WeakPolarHBondContact O-CB 3.36Å; S266-L270 WeakPolarHBondContact O-CG 3.08Å; S266-L270 PolarHBondContact O-N 3.29Å
267	L	94.9	Very high	93	Very high	49 Å²	49	29.9 Å²	29.9	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-63.1	-47.5	175.8	-78.3	166.3	0	0	0	111.3	V241 A244 L263 E264 L270 F271	V241-L267 HydrophobicContact CB-CD2 4.44Å; V241-L267 HydrophobicContact CG2-CD2 3.86Å; A244-L267 HydrophobicContact CB-CB 4.48Å; A244-L267 HydrophobicContact CB-CD2 3.42Å; A244-L267 VanDerWaalsContact CB-CD2 3.42Å; A244-L267 HydrophobicContact CB-CG 3.72Å; L263-L267 HydrophobicContact CG-CD1 4.38Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.41Å; E264-L267 PolarHBondContact O-N 2.69Å; L267-L270 PolarHBondContact O-N 3.31Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.14Å
268	V	94.5	Very high	93.5	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.085	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-45.3	178.3	176.3	0	0	0	0	110.5	E264 L270 F271 V272 M650 M666	E264-V268 WeakPolarHBondContact O-CG2 3.19Å; E264-V268 PolarHBondContact O-N 3.17Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; V268-F271 PolarHBondContact O-N 2.91Å; V268-V272 HydrophobicContact CG1-CG2 4.45Å; V268-V272 VanDerWaalsContact O-CG2 3.31Å; V268-V272 WeakPolarHBondContact O-CG2 3.11Å; V268-V272 PolarHBondContact O-N 3.28Å; V268-M650 HydrophobicContact CG1-CE 3.65Å; V268-M666 HydrophobicContact CB-CE 4.3Å; V268-M666 HydrophobicContact CG1-CE 4.17Å; V268-M666 HydrophobicContact CG2-CE 3.93Å
269	S	94.6	Very high	93.8	Very high	13 Å²	13	31.5 Å²	31.5	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-39	-179.3	-62.1	0	0	0	0	112.2	Y259 N265 S266 L273 N278	Y259-S269 PolarHBondContact O-OG 2.65Å; N265-S269 WeakPolarHBondContact O-CB 3.32Å; N265-S269 PolarHBondContact O-N 2.72Å; N265-S269 PolarHBondContact O-OG 2.96Å; S266-S269 PolarHBondContact O-N 2.71Å; S269-L273 WeakPolarHBondContact O-CB 3.24Å; S269-L273 PolarHBondContact O-N 2.7Å; S269-N278 PolarHBondContact O-ND2 3.15Å
270	L	96.2	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.9	-38.3	174.2	-70.2	-172.8	0	0	0	112.2	M240 F243 A244 F260 S266 L267 V268 V272 L273 L274 F296 Y300	M240-L270 HydrophobicContact CG-CB 4.39Å; F243-L270 VanDerWaalsContact C-CD1 3.42Å; F243-L270 HydrophobicContact CB-CD1 3.82Å; A244-L270 VanDerWaalsContact CA-CD1 3.45Å; A244-L270 HydrophobicContact CB-CD1 3.93Å; A244-L270 VanDerWaalsContact N-CD1 3.29Å; F260-L270 HydrophobicContact CE1-CD2 4.23Å; F260-L270 HydrophobicContact CE1-CG 4.29Å; F260-L270 HydrophobicContact CZ-CD2 4.08Å; S266-L270 WeakPolarHBondContact O-CB 3.36Å; S266-L270 WeakPolarHBondContact O-CG 3.08Å; S266-L270 PolarHBondContact O-N 3.29Å; L267-L270 PolarHBondContact O-N 3.31Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; L270-V272 VanDerWaalsContact C-N 3.3Å; L270-V272 PolarHBondContact O-N 3.05Å; L270-L273 HydrophobicContact CD2-CD2 3.92Å; L270-L273 CarbonylContact O-C 3.35Å; L270-L273 WeakPolarHBondContact O-CA 3.47Å; L270-L273 WeakPolarHBondContact O-CB 3.34Å; L270-L273 PolarHBondContact O-N 2.83Å; L270-L273 VanDerWaalsContact O-N 3.09Å; L270-L274 PolarHBondContact O-N 3.16Å; L270-F296 HydrophobicContact CD2-CE1 4.27Å; L270-Y300 HydrophobicContact CB-CE2 4.37Å; L270-Y300 HydrophobicContact CD1-CE2 4.26Å; L270-Y300 HydrophobicContact CD2-CE1 4.36Å; L270-Y300 HydrophobicContact CD2-CE2 4.35Å; L270-Y300 PolarHBondContact O-OH 3.5Å
271	F	95.3	Very high	94	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-40.7	172.6	-172.8	-85.5	0	0	0	111.6	M240 L267 V268 L274 W646 M666 Y669 I670	M240-F271 HydrophobicContact CE-CD2 4.25Å; M240-F271 HydrophobicContact SD-CB 3.87Å; M240-F271 HydrophobicContact SD-CD2 3.77Å; M240-F271 HydrophobicContact SD-CG 4.32Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.14Å; V268-F271 PolarHBondContact O-N 2.91Å; F271-L274 WeakPolarHBondContact O-CB 3.27Å; F271-L274 PolarHBondContact O-N 3.04Å; F271-W646 AromaticContact CD1-CH2 3.75Å; F271-W646 HydrophobicContact CD1-CH2 3.75Å; F271-W646 AromaticContact CD1-CZ2 3.82Å; F271-W646 HydrophobicContact CD1-CZ2 3.82Å; F271-W646 AromaticContact CE1-CH2 3.63Å; F271-W646 HydrophobicContact CE1-CH2 3.63Å; F271-W646 AromaticContact CE1-CZ2 3.83Å; F271-W646 HydrophobicContact CE1-CZ2 3.83Å; F271-M666 HydrophobicContact CB-CE 4.07Å; F271-M666 HydrophobicContact CD1-CE 3.88Å; F271-M666 HydrophobicContact CD1-CG 3.9Å; F271-M666 HydrophobicContact CD1-SD 4.28Å; F271-M666 HydrophobicContact CE1-CB 4.02Å; F271-M666 HydrophobicContact CE1-CG 3.62Å; F271-M666 HydrophobicContact CE1-SD 4.44Å; F271-M666 HydrophobicContact CG-CE 3.96Å; F271-M666 HydrophobicContact CG-CG 4.5Å; F271-M666 HydrophobicContact CG-SD 4.33Å; F271-M666 HydrophobicContact CZ-CB 3.92Å; F271-M666 HydrophobicContact CZ-CG 3.96Å; F271-Y669 HydrophobicContact CE1-CD1 4.01Å; F271-Y669 AromaticContact CZ-CD1 3.76Å; F271-Y669 HydrophobicContact CZ-CD1 3.76Å; F271-Y669 HydrophobicContact CZ-CE1 4.39Å; F271-I670 HydrophobicContact CE2-CD1 4.49Å; F271-I670 HydrophobicContact CZ-CG1 4.38Å
272	V	95.8	Very high	94.2	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-37.6	173.5	179	0	0	0	0	110.8	V268 L270 L274 T275 T276 A277 N278 W646 Y647 M650	V268-V272 HydrophobicContact CG1-CG2 4.45Å; V268-V272 VanDerWaalsContact O-CG2 3.31Å; V268-V272 WeakPolarHBondContact O-CG2 3.11Å; V268-V272 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact C-N 3.3Å; L270-V272 PolarHBondContact O-N 3.05Å; V272-L274 VanDerWaalsContact C-N 3.35Å; V272-L274 PolarHBondContact O-N 3.32Å; V272-T275 WeakPolarHBondContact O-CB 3.49Å; V272-T275 PolarHBondContact O-N 3.49Å; V272-T275 VanDerWaalsContact O-N 3.1Å; V272-T275 PolarHBondContact O-OG1 3.45Å; V272-T276 PolarHBondContact O-N 3.13Å; V272-A277 HydrophobicContact CG1-CB 4Å; V272-A277 PolarHBondContact O-N 3.49Å; V272-N278 HydrophobicContact CG1-CB 3.77Å; V272-N278 VanDerWaalsContact CG1-CG 3.47Å; V272-W646 HydrophobicContact CB-CZ2 4.48Å; V272-W646 HydrophobicContact CG2-CH2 4.27Å; V272-W646 HydrophobicContact CG2-CZ2 3.82Å; V272-Y647 HydrophobicContact CG1-CD1 3.79Å; V272-Y647 HydrophobicContact CG1-CG 3.92Å; V272-M650 HydrophobicContact CG2-CE 4.25Å
273	L	95.8	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-33.4	176.7	179.4	60.9	0	0	0	113.1	S269 L270 T275 T276 N278 F279 V282 F297 Y300 L301	S269-L273 WeakPolarHBondContact O-CB 3.24Å; S269-L273 PolarHBondContact O-N 2.7Å; L270-L273 HydrophobicContact CD2-CD2 3.92Å; L270-L273 CarbonylContact O-C 3.35Å; L270-L273 WeakPolarHBondContact O-CA 3.47Å; L270-L273 WeakPolarHBondContact O-CB 3.34Å; L270-L273 PolarHBondContact O-N 2.83Å; L270-L273 VanDerWaalsContact O-N 3.09Å; L273-T275 PolarHBondContact O-N 3.26Å; L273-T276 WeakPolarHBondContact O-CA 3.38Å; L273-T276 PolarHBondContact O-N 2.7Å; L273-N278 WeakPolarHBondContact CA-OD1 3.33Å; L273-N278 PolarHBondContact N-OD1 3.32Å; L273-F279 HydrophobicContact CD1-CB 3.89Å; L273-F279 HydrophobicContact CD1-CD2 4.21Å; L273-F279 HydrophobicContact CD1-CG 4.46Å; L273-V282 HydrophobicContact CD1-CG1 3.89Å; L273-V282 HydrophobicContact CD2-CG1 4.22Å; L273-V282 HydrophobicContact CG-CG1 4.43Å; L273-F297 HydrophobicContact CD2-CD1 3.65Å; L273-F297 HydrophobicContact CD2-CE1 4.23Å; L273-Y300 HydrophobicContact CB-CE1 4.12Å; L273-Y300 HydrophobicContact CD2-CD1 3.53Å; L273-Y300 HydrophobicContact CD2-CE1 3.71Å; L273-Y300 HydrophobicContact CG-CD1 3.96Å; L273-Y300 HydrophobicContact CG-CE1 3.75Å; L273-L301 HydrophobicContact CD1-CD1 4.45Å; L273-L301 HydrophobicContact CD1-CD2 4.02Å; L273-L301 HydrophobicContact CG-CD2 4.02Å
274	L	94.5	Very high	94.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-53.4	-36.9	171.2	-179.8	69.2	0	0	0	111	L236 L270 F271 V272 T276 E304 M309	L236-L274 HydrophobicContact CD1-CD1 4.21Å; L236-L274 HydrophobicContact CD1-CD2 4.06Å; L236-L274 HydrophobicContact CD2-CD2 3.82Å; L236-L274 HydrophobicContact CG-CD2 4.39Å; L270-L274 PolarHBondContact O-N 3.16Å; F271-L274 WeakPolarHBondContact O-CB 3.27Å; F271-L274 PolarHBondContact O-N 3.04Å; V272-L274 VanDerWaalsContact C-N 3.35Å; V272-L274 PolarHBondContact O-N 3.32Å; L274-T276 VanDerWaalsContact C-N 3.29Å; L274-E304 HydrophobicContact CD1-CB 3.86Å; L274-M309 HydrophobicContact CD1-CG 3.7Å; L274-M309 HydrophobicContact CD1-SD 4.32Å; L274-M309 HydrophobicContact CD2-CE 4.15Å; L274-M309 HydrophobicContact CD2-SD 4.22Å; L274-M309 HydrophobicContact CG-CE 4.16Å; L274-M309 HydrophobicContact CG-CG 4.32Å; L274-M309 HydrophobicContact CG-SD 4.43Å
275	T	94.1	Very high	94.5	Very high	10 Å²	10	28.9 Å²	28.9	6%	0.061	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.1	177.2	76.1	0	0	0	0	113.7	V272 L273 A277 V643 W646 Y669	V272-T275 WeakPolarHBondContact O-CB 3.49Å; V272-T275 PolarHBondContact O-N 3.49Å; V272-T275 VanDerWaalsContact O-N 3.1Å; V272-T275 PolarHBondContact O-OG1 3.45Å; L273-T275 PolarHBondContact O-N 3.26Å; T275-A277 PolarHBondContact O-N 3.05Å; T275-A277 WeakPolarHBondContact OG1-CB 3.23Å; T275-V643 HydrophobicContact CG2-CG1 4.33Å; T275-W646 HydrophobicContact CG2-CZ2 4.24Å; T275-W646 PolarHBondContact OG1-NE1 3.09Å; T275-Y669 HydrophobicContact CG2-CD1 4.36Å; T275-Y669 HydrophobicContact CG2-CD2 4.15Å; T275-Y669 HydrophobicContact CG2-CE1 3.76Å; T275-Y669 HydrophobicContact CG2-CE2 3.53Å; T275-Y669 WeakPolarHBondContact CG2-OH 3.24Å
276	T	95.2	Very high	94.6	Very high	69 Å²	69	26.9 Å²	26.9	42%	0.423	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	12.9	-173.4	65.7	0	0	0	0	115.7	V272 L273 L274 N278 L301 L305	V272-T276 PolarHBondContact O-N 3.13Å; L273-T276 WeakPolarHBondContact O-CA 3.38Å; L273-T276 PolarHBondContact O-N 2.7Å; L274-T276 VanDerWaalsContact C-N 3.29Å; T276-N278 VanDerWaalsContact C-N 3.33Å; T276-N278 PolarHBondContact O-N 3.12Å; T276-L301 HydrophobicContact CG2-CD2 4.29Å; T276-L305 HydrophobicContact CG2-CD2 3.37Å
277	A	94.5	Very high	94.6	Very high	12 Å²	12	30.2 Å²	30.2	10%	0.099	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.4	-173.4	0	0	0	0	0	114.6	V272 T275 Y647	V272-A277 HydrophobicContact CG1-CB 4Å; V272-A277 PolarHBondContact O-N 3.49Å; T275-A277 PolarHBondContact O-N 3.05Å; T275-A277 WeakPolarHBondContact OG1-CB 3.23Å; A277-Y647 HydrophobicContact CB-CD1 4.25Å
278	N	93.4	Very high	94.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	16.5	-179.5	65.6	-10.7	0	0	0	113	S269 V272 L273 T276 D281 V282 Y647	S269-N278 PolarHBondContact O-ND2 3.15Å; V272-N278 HydrophobicContact CG1-CB 3.77Å; V272-N278 VanDerWaalsContact CG1-CG 3.47Å; L273-N278 WeakPolarHBondContact CA-OD1 3.33Å; L273-N278 PolarHBondContact N-OD1 3.32Å; T276-N278 VanDerWaalsContact C-N 3.33Å; T276-N278 PolarHBondContact O-N 3.12Å; N278-D281 PolarHBondContact O-N 3.1Å; N278-V282 PolarHBondContact O-N 2.78Å; N278-Y647 HydrophobicContact CB-CD1 4.46Å; N278-Y647 HydrophobicContact CB-CE1 4.14Å
279	F	93.9	Very high	94.4	Very high	96 Å²	96	38.5 Å²	38.5	42%	0.421	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	127.3	171.1	-175.7	-98.1	0	0	0	109	L273 M283 L301	L273-F279 HydrophobicContact CD1-CB 3.89Å; L273-F279 HydrophobicContact CD1-CD2 4.21Å; L273-F279 HydrophobicContact CD1-CG 4.46Å; F279-M283 HydrophobicContact CE2-CE 3.94Å; F279-M283 HydrophobicContact CE2-SD 4.12Å; F279-M283 HydrophobicContact CZ-CE 4.24Å; F279-L301 HydrophobicContact CD2-CD1 4.42Å
280	P	95.3	Very high	94.4	Very high	62 Å²	62	41.8 Å²	41.8	40%	0.403	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	-8.3	17.1	35.9	-36.5	0	0	0	116.2	V282 M283 M284	P280-V282 VanDerWaalsContact C-N 3.34Å; P280-V282 PolarHBondContact O-N 2.99Å; P280-M283 WeakPolarHBondContact O-CB 3.39Å; P280-M283 PolarHBondContact O-N 3.03Å; P280-M284 HydrophobicContact CB-CG 4.42Å; P280-M284 HydrophobicContact CB-SD 4.49Å; P280-M284 WeakPolarHBondContact O-CG 3.35Å; P280-M284 PolarHBondContact O-N 2.85Å
281	D	93.2	Very high	94.3	Very high	78 Å²	78	50.4 Å²	50.4	42%	0.417	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-42.4	-165.3	-57.5	-31.6	0	0	0	114.4	N278 M283 M284 P285	N278-D281 PolarHBondContact O-N 3.1Å; D281-M283 PolarHBondContact O-N 3.43Å; D281-M284 PolarHBondContact O-N 3.13Å; D281-P285 WeakPolarHBondContact O-CD 3.47Å
282	V	94.1	Very high	94.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.5	179.1	69	0	0	0	0	113.8	Y259 F260 L273 N278 P280 F297	Y259-V282 HydrophobicContact CD1-CB 4.47Å; Y259-V282 HydrophobicContact CD1-CG2 4.09Å; Y259-V282 HydrophobicContact CD2-CG2 4.27Å; Y259-V282 HydrophobicContact CG-CB 4.44Å; Y259-V282 HydrophobicContact CG-CG2 3.87Å; F260-V282 HydrophobicContact CE2-CG2 4.08Å; F260-V282 HydrophobicContact CZ-CG2 4.45Å; L273-V282 HydrophobicContact CD1-CG1 3.89Å; L273-V282 HydrophobicContact CD2-CG1 4.22Å; L273-V282 HydrophobicContact CG-CG1 4.43Å; N278-V282 PolarHBondContact O-N 2.78Å; P280-V282 VanDerWaalsContact C-N 3.34Å; P280-V282 PolarHBondContact O-N 2.99Å; V282-F297 HydrophobicContact CG1-CE1 4.23Å; V282-F297 HydrophobicContact CG2-CE1 4.4Å
283	M	95.3	Very high	94.2	Very high	21 Å²	21	60 Å²	60	10%	0.103	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-28.7	-178.6	174.2	-177.9	73.1	0	0	112.2	F279 P280 D281 A286 Y287 C294 F297	F279-M283 HydrophobicContact CE2-CE 3.94Å; F279-M283 HydrophobicContact CE2-SD 4.12Å; F279-M283 HydrophobicContact CZ-CE 4.24Å; P280-M283 WeakPolarHBondContact O-CB 3.39Å; P280-M283 PolarHBondContact O-N 3.03Å; D281-M283 PolarHBondContact O-N 3.43Å; M283-A286 PolarHBondContact O-N 3.46Å; M283-Y287 WeakPolarHBondContact O-CB 3.22Å; M283-Y287 PolarHBondContact O-N 3.43Å; M283-C294 HydrophobicContact SD-CB 3.94Å; M283-F297 HydrophobicContact CB-CD1 4.25Å; M283-F297 HydrophobicContact CB-CD2 3.84Å; M283-F297 HydrophobicContact CB-CE1 4.3Å; M283-F297 HydrophobicContact CB-CE2 3.91Å; M283-F297 HydrophobicContact CB-CG 4.01Å; M283-F297 HydrophobicContact CB-CZ 4.14Å; M283-F297 HydrophobicContact CG-CD2 3.47Å; M283-F297 VanDerWaalsContact CG-CD2 3.47Å; M283-F297 HydrophobicContact CG-CE2 3.73Å; M283-F297 HydrophobicContact CG-CG 4.02Å; M283-F297 HydrophobicContact CG-CZ 4.46Å; M283-F297 HydrophobicContact SD-CB 4.23Å; M283-F297 HydrophobicContact SD-CD2 4.04Å; M283-F297 HydrophobicContact SD-CG 4.32Å
284	M	95.1	Very high	94.2	Very high	92 Å²	92	61.5 Å²	61.5	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-42.9	-166.4	-70	-58.6	-67.8	0	0	114.5	P280 D281 A286 Y287 S288	P280-M284 HydrophobicContact CB-CG 4.42Å; P280-M284 HydrophobicContact CB-SD 4.49Å; P280-M284 WeakPolarHBondContact O-CG 3.35Å; P280-M284 PolarHBondContact O-N 2.85Å; D281-M284 PolarHBondContact O-N 3.13Å; M284-A286 PolarHBondContact O-N 3.12Å; M284-Y287 PolarHBondContact O-N 2.98Å; M284-S288 WeakPolarHBondContact O-CB 3.26Å; M284-S288 PolarHBondContact O-N 2.59Å
285	P	93.6	Very high	94.3	Very high	24 Å²	24	64.7 Å²	64.7	16%	0.156	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-46.6	176.9	-25.4	35.5	0	0	0	112.4	D257 Y259 D281 S288	D257-P285 HydrophobicContact CB-CB 3.97Å; Y259-P285 HydrophobicContact CD2-CG 4.29Å; Y259-P285 HydrophobicContact CE2-CG 4.12Å; D281-P285 WeakPolarHBondContact O-CD 3.47Å; P285-S288 PolarHBondContact O-OG 2.69Å
286	A	92.8	Very high	94.4	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-43.4	177.9	0	0	0	0	0	112.4	F251 M283 M284 S288 K289 N290 F297	F251-A286 HydrophobicContact CD1-CB 3.61Å; F251-A286 HydrophobicContact CE1-CB 3.49Å; F251-A286 VanDerWaalsContact CE1-CB 3.49Å; F251-A286 HydrophobicContact CG-CB 4.38Å; F251-A286 HydrophobicContact CZ-CB 4.18Å; M283-A286 PolarHBondContact O-N 3.46Å; M284-A286 PolarHBondContact O-N 3.12Å; A286-S288 VanDerWaalsContact C-N 3.34Å; A286-S288 PolarHBondContact O-N 2.93Å; A286-K289 PolarHBondContact O-N 3.38Å; A286-N290 PolarHBondContact O-N 3.28Å; A286-F297 HydrophobicContact CB-CE2 4.27Å
287	Y	94.5	Very high	94.5	Very high	71 Å²	71	62 Å²	62	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-35.3	-179.4	-174.7	-104.5	0	0	0	113	M283 M284 K289 N290 R291 C294	M283-Y287 WeakPolarHBondContact O-CB 3.22Å; M283-Y287 PolarHBondContact O-N 3.43Å; M284-Y287 PolarHBondContact O-N 2.98Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 2.98Å; Y287-N290 CarbonylContact O-C 3.17Å; Y287-R291 WeakPolarHBondContact CD2-O 3.26Å; Y287-R291 HydrophobicContact CE2-CB 4.1Å; Y287-R291 VanDerWaalsContact CE2-O 3.29Å; Y287-R291 WeakPolarHBondContact CE2-O 3.28Å; Y287-C294 HydrophobicContact CD2-CB 3.87Å; Y287-C294 HydrophobicContact CE2-CB 3.96Å
288	S	94.3	Very high	94.6	Very high	101 Å²	101	66.2 Å²	66.2	71%	0.706	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-33.5	175.7	78.5	0	0	0	0	112.3	M284 P285 A286	M284-S288 WeakPolarHBondContact O-CB 3.26Å; M284-S288 PolarHBondContact O-N 2.59Å; P285-S288 PolarHBondContact O-OG 2.69Å; A286-S288 VanDerWaalsContact C-N 3.34Å; A286-S288 PolarHBondContact O-N 2.93Å
289	K	91.6	Very high	94.7	Very high	136 Å²	136	68.9 Å²	68.9	59%	0.591	34%	0.341	S	S	*	.	H	α-helix	trans	-80.4	-45.3	179.4	-171	177	-178.8	179.3	0	111.7	A286 Y287	A286-K289 PolarHBondContact O-N 3.38Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 2.98Å
290	N	93.6	Very high	94.9	Very high	82 Å²	82	64.3 Å²	64.3	44%	0.439	32%	0.321	S	S	.	.			trans	-143.2	123.4	175.2	-172.3	3.7	0	0	0	110.9	A286 Y287 W292 S293	A286-N290 PolarHBondContact O-N 3.28Å; Y287-N290 CarbonylContact O-C 3.17Å; N290-W292 PolarHBondContact O-N 3.34Å; N290-W292 VanDerWaalsContact O-N 3.17Å; N290-W292 PolarHBondContact OD1-N 3.1Å; N290-S293 VanDerWaalsContact O-CB 3.26Å; N290-S293 WeakPolarHBondContact O-CB 3.21Å; N290-S293 PolarHBondContact O-N 3.39Å; N290-S293 PolarHBondContact O-OG 3.09Å
291	R	94.2	Very high	94.9	Very high	180 Å²	180	62.3 Å²	62.3	68%	0.679	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-61.9	-27.8	-179.5	-58.8	177.6	101.3	87.3	-2.3	112.2	Y287 S293 C294	Y287-R291 WeakPolarHBondContact CD2-O 3.26Å; Y287-R291 HydrophobicContact CE2-CB 4.1Å; Y287-R291 VanDerWaalsContact CE2-O 3.29Å; Y287-R291 WeakPolarHBondContact CE2-O 3.28Å; R291-S293 PolarHBondContact O-N 3.45Å; R291-C294 PolarHBondContact O-N 2.88Å; R291-C294 PolarHBondContact O-SG 3.37Å
292	W	95.2	Very high	95.1	Very high	199 Å²	199	61.3 Å²	61.3	75%	0.754	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-70.5	-15.6	177	-69.9	105.1	0	0	0	114	N290 C294 V295	N290-W292 PolarHBondContact O-N 3.34Å; N290-W292 VanDerWaalsContact O-N 3.17Å; N290-W292 PolarHBondContact OD1-N 3.1Å; W292-C294 PolarHBondContact O-N 3.3Å; W292-C294 VanDerWaalsContact O-N 3.13Å; W292-V295 HydrophobicContact CE3-CG2 4.04Å; W292-V295 WeakPolarHBondContact O-CB 3.22Å; W292-V295 WeakPolarHBondContact O-CG2 3.28Å; W292-V295 PolarHBondContact O-N 2.9Å
293	S	93.8	Very high	95.1	Very high	16 Å²	16	64.1 Å²	64.1	11%	0.112	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.3	-17.9	175.2	-62.9	0	0	0	0	112.9	N290 R291 V295 F296 F297	N290-S293 VanDerWaalsContact O-CB 3.26Å; N290-S293 WeakPolarHBondContact O-CB 3.21Å; N290-S293 PolarHBondContact O-N 3.39Å; N290-S293 PolarHBondContact O-OG 3.09Å; R291-S293 PolarHBondContact O-N 3.45Å; S293-V295 PolarHBondContact O-N 2.8Å; S293-F296 PolarHBondContact O-N 2.86Å; S293-F297 VanDerWaalsContact O-CD2 3.32Å; S293-F297 WeakPolarHBondContact O-CD2 3.47Å
294	C	95.6	Very high	95.1	Very high	30 Å²	30	63.1 Å²	63.1	20%	0.203	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-27.8	172.4	71.7	0	0	0	0	113	M283 Y287 R291 W292 F296 F297 I298	M283-C294 HydrophobicContact SD-CB 3.94Å; Y287-C294 HydrophobicContact CD2-CB 3.87Å; Y287-C294 HydrophobicContact CE2-CB 3.96Å; R291-C294 PolarHBondContact O-N 2.88Å; R291-C294 PolarHBondContact O-SG 3.37Å; W292-C294 PolarHBondContact O-N 3.3Å; W292-C294 VanDerWaalsContact O-N 3.13Å; C294-F296 VanDerWaalsContact C-N 3.27Å; C294-F296 PolarHBondContact O-N 3.26Å; C294-F297 PolarHBondContact O-N 3.22Å; C294-I298 HydrophobicContact CB-CD1 4.21Å; C294-I298 WeakPolarHBondContact O-CB 3.5Å; C294-I298 VanDerWaalsContact O-CG1 3.29Å; C294-I298 WeakPolarHBondContact O-CG1 3.25Å; C294-I298 PolarHBondContact O-N 3.39Å
295	V	96.6	Very high	95	Very high	71 Å²	71	60.4 Å²	60.4	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-39.7	-178.9	175.1	0	0	0	0	110.7	W292 S293 F297 I298 V299	W292-V295 HydrophobicContact CE3-CG2 4.04Å; W292-V295 WeakPolarHBondContact O-CB 3.22Å; W292-V295 WeakPolarHBondContact O-CG2 3.28Å; W292-V295 PolarHBondContact O-N 2.9Å; S293-V295 PolarHBondContact O-N 2.8Å; V295-F297 PolarHBondContact O-N 2.92Å; V295-I298 PolarHBondContact O-N 3.47Å; V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CB 3.1Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 3.39Å
296	F	96.7	Very high	95	Very high	22 Å²	22	66.6 Å²	66.6	10%	0.096	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-51.7	176.1	173	-92.3	0	0	0	111.5	F243 L246 F251 F260 L270 S293 C294 V299 Y300	F243-F296 HydrophobicContact CB-CZ 4.47Å; F243-F296 HydrophobicContact CD1-CD2 4.42Å; F243-F296 AromaticContact CD1-CE2 3.79Å; F243-F296 HydrophobicContact CD1-CE2 3.79Å; F243-F296 HydrophobicContact CD1-CZ 4.19Å; F243-F296 WeakPolarHBondContact O-CZ 3.26Å; L246-F296 HydrophobicContact CB-CE2 4.35Å; L246-F296 HydrophobicContact CD2-CD2 4.24Å; L246-F296 HydrophobicContact CD2-CE2 4.03Å; L246-F296 HydrophobicContact CG-CD2 4.49Å; L246-F296 HydrophobicContact CG-CE2 4.07Å; F251-F296 HydrophobicContact CE2-CB 4.43Å; F251-F296 AromaticContact CE2-CD1 3.62Å; F251-F296 HydrophobicContact CE2-CD1 3.62Å; F251-F296 HydrophobicContact CE2-CD2 4.39Å; F251-F296 AromaticContact CE2-CE1 3.9Å; F251-F296 HydrophobicContact CE2-CE1 3.9Å; F251-F296 AromaticContact CE2-CG 3.89Å; F251-F296 HydrophobicContact CE2-CG 3.89Å; F251-F296 HydrophobicContact CE2-CZ 4.4Å; F251-F296 HydrophobicContact CZ-CB 4.17Å; F251-F296 HydrophobicContact CZ-CD1 4.12Å; F251-F296 HydrophobicContact CZ-CG 4.14Å; F260-F296 HydrophobicContact CZ-CE1 4.35Å; L270-F296 HydrophobicContact CD2-CE1 4.27Å; S293-F296 PolarHBondContact O-N 2.86Å; C294-F296 VanDerWaalsContact C-N 3.27Å; C294-F296 PolarHBondContact O-N 3.26Å; F296-V299 PolarHBondContact O-N 2.74Å; F296-Y300 WeakPolarHBondContact O-CB 3.34Å; F296-Y300 PolarHBondContact O-N 3.33Å
297	F	96.8	Very high	95	Very high	1 Å²	1	72.9 Å²	72.9	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-37.9	-177.5	-62.5	-82.8	0	0	0	112.7	F251 F260 L273 V282 M283 A286 S293 C294 V295 Y300 L301	F251-F297 HydrophobicContact CE2-CE2 4.17Å; F251-F297 HydrophobicContact CE2-CZ 4.14Å; F251-F297 AromaticContact CZ-CE2 3.98Å; F251-F297 HydrophobicContact CZ-CE2 3.98Å; F251-F297 HydrophobicContact CZ-CZ 4.39Å; F260-F297 HydrophobicContact CE2-CE1 4.01Å; F260-F297 AromaticContact CE2-CZ 3.82Å; F260-F297 HydrophobicContact CE2-CZ 3.82Å; F260-F297 AromaticContact CZ-CE1 3.95Å; F260-F297 HydrophobicContact CZ-CE1 3.95Å; F260-F297 HydrophobicContact CZ-CZ 4.11Å; L273-F297 HydrophobicContact CD2-CD1 3.65Å; L273-F297 HydrophobicContact CD2-CE1 4.23Å; V282-F297 HydrophobicContact CG1-CE1 4.23Å; V282-F297 HydrophobicContact CG2-CE1 4.4Å; M283-F297 HydrophobicContact CB-CD1 4.25Å; M283-F297 HydrophobicContact CB-CD2 3.84Å; M283-F297 HydrophobicContact CB-CE1 4.3Å; M283-F297 HydrophobicContact CB-CE2 3.91Å; M283-F297 HydrophobicContact CB-CG 4.01Å; M283-F297 HydrophobicContact CB-CZ 4.14Å; M283-F297 HydrophobicContact CG-CD2 3.47Å; M283-F297 VanDerWaalsContact CG-CD2 3.47Å; M283-F297 HydrophobicContact CG-CE2 3.73Å; M283-F297 HydrophobicContact CG-CG 4.02Å; M283-F297 HydrophobicContact CG-CZ 4.46Å; M283-F297 HydrophobicContact SD-CB 4.23Å; M283-F297 HydrophobicContact SD-CD2 4.04Å; M283-F297 HydrophobicContact SD-CG 4.32Å; A286-F297 HydrophobicContact CB-CE2 4.27Å; S293-F297 VanDerWaalsContact O-CD2 3.32Å; S293-F297 WeakPolarHBondContact O-CD2 3.47Å; C294-F297 PolarHBondContact O-N 3.22Å; V295-F297 PolarHBondContact O-N 2.92Å; F297-Y300 PolarHBondContact O-N 3.15Å; F297-L301 WeakPolarHBondContact O-CB 3.47Å; F297-L301 WeakPolarHBondContact O-CG 3.38Å; F297-L301 PolarHBondContact O-N 3.19Å
298	I	96.5	Very high	95	Very high	100 Å²	100	69.6 Å²	69.6	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-44.3	176.7	-68.3	167.5	0	0	0	110.5	C294 V295 S302	C294-I298 HydrophobicContact CB-CD1 4.21Å; C294-I298 WeakPolarHBondContact O-CB 3.5Å; C294-I298 VanDerWaalsContact O-CG1 3.29Å; C294-I298 WeakPolarHBondContact O-CG1 3.25Å; C294-I298 PolarHBondContact O-N 3.39Å; V295-I298 PolarHBondContact O-N 3.47Å; I298-S302 VanDerWaalsContact O-CB 3.31Å; I298-S302 WeakPolarHBondContact O-CB 3.34Å; I298-S302 PolarHBondContact O-N 3.35Å; I298-S302 PolarHBondContact O-OG 3.05Å
299	V	97	Very high	94.8	Very high	61 Å²	61	65.6 Å²	65.6	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-45	177.2	170.7	0	0	0	0	110.5	F243 V295 F296 S302 I303	F243-V299 HydrophobicContact CE1-CG1 4.4Å; F243-V299 HydrophobicContact CZ-CG1 4.17Å; V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CB 3.1Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 3.39Å; F296-V299 PolarHBondContact O-N 2.74Å; V299-S302 PolarHBondContact O-N 2.73Å; V299-I303 HydrophobicContact CG1-CD1 3.76Å; V299-I303 WeakPolarHBondContact O-CG1 3.49Å; V299-I303 PolarHBondContact O-N 3Å
300	Y	96.8	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-54.8	175.1	175.7	-97.8	0	0	0	111.5	F243 L270 L273 F296 F297 S302 I303 E304	F243-Y300 HydrophobicContact CB-CD2 3.77Å; F243-Y300 HydrophobicContact CB-CE2 4.09Å; F243-Y300 HydrophobicContact CD1-CD2 4.19Å; F243-Y300 AromaticContact CD2-CD2 3.82Å; F243-Y300 HydrophobicContact CD2-CD2 3.82Å; F243-Y300 HydrophobicContact CD2-CE2 4.38Å; F243-Y300 HydrophobicContact CE2-CD2 4.46Å; F243-Y300 AromaticContact CG-CD2 3.67Å; F243-Y300 HydrophobicContact CG-CD2 3.67Å; F243-Y300 HydrophobicContact CG-CE2 4.36Å; L270-Y300 HydrophobicContact CB-CE2 4.37Å; L270-Y300 HydrophobicContact CD1-CE2 4.26Å; L270-Y300 HydrophobicContact CD2-CE1 4.36Å; L270-Y300 HydrophobicContact CD2-CE2 4.35Å; L270-Y300 PolarHBondContact O-OH 3.5Å; L273-Y300 HydrophobicContact CB-CE1 4.12Å; L273-Y300 HydrophobicContact CD2-CD1 3.53Å; L273-Y300 HydrophobicContact CD2-CE1 3.71Å; L273-Y300 HydrophobicContact CG-CD1 3.96Å; L273-Y300 HydrophobicContact CG-CE1 3.75Å; F296-Y300 WeakPolarHBondContact O-CB 3.34Å; F296-Y300 PolarHBondContact O-N 3.33Å; F297-Y300 PolarHBondContact O-N 3.15Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 2.96Å; Y300-I303 PolarHBondContact O-N 3.04Å; Y300-E304 HydrophobicContact CD2-CG 3.89Å; Y300-E304 HydrophobicContact CE2-CB 4.21Å; Y300-E304 HydrophobicContact CE2-CG 3.62Å; Y300-E304 VanDerWaalsContact O-CB 3.29Å; Y300-E304 WeakPolarHBondContact O-CB 2.95Å; Y300-E304 PolarHBondContact O-N 3.25Å
301	L	96.7	Very high	94.5	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	30%	0.299	C	S	.	.	I	π-helix	trans	-64.3	-34	179.8	-69.7	174.9	0	0	0	112.7	L273 T276 F279 F297 L305 Y306	L273-L301 HydrophobicContact CD1-CD1 4.45Å; L273-L301 HydrophobicContact CD1-CD2 4.02Å; L273-L301 HydrophobicContact CG-CD2 4.02Å; T276-L301 HydrophobicContact CG2-CD2 4.29Å; F279-L301 HydrophobicContact CD2-CD1 4.42Å; F297-L301 WeakPolarHBondContact O-CB 3.47Å; F297-L301 WeakPolarHBondContact O-CG 3.38Å; F297-L301 PolarHBondContact O-N 3.19Å; L301-L305 HydrophobicContact CD2-CB 4.3Å; L301-L305 HydrophobicContact CD2-CD2 4.09Å; L301-L305 VanDerWaalsContact O-CB 3.3Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 PolarHBondContact O-N 3.31Å; L301-L305 VanDerWaalsContact O-N 3.14Å; L301-Y306 PolarHBondContact O-N 3.14Å; L301-Y306 VanDerWaalsContact O-N 3.08Å
302	S	96.1	Very high	94.1	Very high	57 Å²	57	54.3 Å²	54.3	40%	0.399	27%	0.267	S	S	.	.	I	π-helix	trans	-65.6	-44	178	-59.6	0	0	0	0	112.1	I298 V299 Y300 F307	I298-S302 VanDerWaalsContact O-CB 3.31Å; I298-S302 WeakPolarHBondContact O-CB 3.34Å; I298-S302 PolarHBondContact O-N 3.35Å; I298-S302 PolarHBondContact O-OG 3.05Å; V299-S302 PolarHBondContact O-N 2.73Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 2.96Å; S302-F307 PolarHBondContact O-N 3.2Å
303	I	95.5	Very high	93.6	Very high	60 Å²	60	48.3 Å²	48.3	31%	0.308	25%	0.25	S	C	.	.	I	π-helix	trans	-78.3	-53	-178.5	-64.4	172.7	0	0	0	110.3	F243 V299 Y300 F307 I308	F243-I303 HydrophobicContact CZ-CD1 4.25Å; V299-I303 HydrophobicContact CG1-CD1 3.76Å; V299-I303 WeakPolarHBondContact O-CG1 3.49Å; V299-I303 PolarHBondContact O-N 3Å; Y300-I303 PolarHBondContact O-N 3.04Å; I303-F307 WeakPolarHBondContact O-CB 3.3Å; I303-F307 PolarHBondContact O-N 3.06Å; I303-I308 HydrophobicContact CG2-CD1 3.99Å; I303-I308 WeakPolarHBondContact O-CG1 3.19Å; I303-I308 PolarHBondContact O-N 2.76Å
304	E	94.1	Very high	93.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-78.7	-50.4	-169.5	-70.9	-83.4	-156.4	0	0	112.5	F239 M240 L274 Y300 M309	F239-E304 WeakPolarHBondContact CB-OE1 3.44Å; M240-E304 WeakPolarHBondContact CA-OE1 3.49Å; M240-E304 PolarHBondContact N-OE1 2.73Å; L274-E304 HydrophobicContact CD1-CB 3.86Å; Y300-E304 HydrophobicContact CD2-CG 3.89Å; Y300-E304 HydrophobicContact CE2-CB 4.21Å; Y300-E304 HydrophobicContact CE2-CG 3.62Å; Y300-E304 VanDerWaalsContact O-CB 3.29Å; Y300-E304 WeakPolarHBondContact O-CB 2.95Å; Y300-E304 PolarHBondContact O-N 3.25Å; E304-M309 VanDerWaalsContact O-CG 3.27Å; E304-M309 WeakPolarHBondContact O-CG 3.48Å; E304-M309 PolarHBondContact O-N 3.28Å
305	L	92.6	Very high	92.9	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.178	26%	0.264	C	S	.	.	I	π-helix	trans	-81	-51.1	-176.1	171.4	68.4	0	0	0	112.1	T276 L301 M309	T276-L305 HydrophobicContact CG2-CD2 3.37Å; L301-L305 HydrophobicContact CD2-CB 4.3Å; L301-L305 HydrophobicContact CD2-CD2 4.09Å; L301-L305 VanDerWaalsContact O-CB 3.3Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 PolarHBondContact O-N 3.31Å; L301-L305 VanDerWaalsContact O-N 3.14Å; L305-M309 WeakPolarHBondContact O-CB 3.26Å
306	Y	93.9	Very high	92.3	Very high	154 Å²	154	47.1 Å²	47.1	60%	0.604	25%	0.245	S	C	*	.	I	π-helix	trans	-82.5	-33	-173.2	-65.1	-45.6	0	0	0	114	L301 N310	L301-Y306 PolarHBondContact O-N 3.14Å; L301-Y306 VanDerWaalsContact O-N 3.08Å; Y306-N310 WeakPolarHBondContact O-CB 3.46Å; Y306-N310 PolarHBondContact O-ND2 3.27Å
307	F	94.1	Very high	91.6	Very high	136 Å²	136	49.1 Å²	49.1	60%	0.596	25%	0.254	S	S	*	.	I	π-helix	trans	-93.6	-64.4	-179.9	-178.3	-102.8	0	0	0	111.8	S302 I303 L311	S302-F307 PolarHBondContact O-N 3.2Å; I303-F307 WeakPolarHBondContact O-CB 3.3Å; I303-F307 PolarHBondContact O-N 3.06Å; F307-L311 VanDerWaalsContact O-CB 3.27Å; F307-L311 WeakPolarHBondContact O-CB 3.14Å; F307-L311 PolarHBondContact O-N 3.31Å
308	I	93.2	Very high	91.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.278	C	S	.	.	I	π-helix	trans	-68.2	-48.4	-171.9	-60.5	173.4	0	0	0	112	I232 L236 F239 I303 N310 L311 L312	I232-I308 HydrophobicContact CG2-CG2 4.35Å; L236-I308 HydrophobicContact CB-CG2 3.81Å; L236-I308 HydrophobicContact CD1-CG2 4.04Å; L236-I308 HydrophobicContact CG-CG2 4.34Å; F239-I308 HydrophobicContact CB-CD1 4.34Å; F239-I308 HydrophobicContact CD2-CD1 3.55Å; F239-I308 HydrophobicContact CE2-CD1 4.1Å; F239-I308 HydrophobicContact CG-CD1 4.13Å; I303-I308 HydrophobicContact CG2-CD1 3.99Å; I303-I308 WeakPolarHBondContact O-CG1 3.19Å; I303-I308 PolarHBondContact O-N 2.76Å; I308-N310 PolarHBondContact O-N 2.95Å; I308-L311 WeakPolarHBondContact O-CB 3.3Å; I308-L311 PolarHBondContact O-N 2.95Å; I308-L312 WeakPolarHBondContact O-CB 3.48Å; I308-L312 PolarHBondContact O-N 3.46Å
309	M	90.1	Very high	90.6	Very high	16 Å²	16	50.3 Å²	50.3	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-35.4	-179.3	-72.9	-73.2	-92.3	0	0	113.5	L236 L274 E304 L305 L312 L313 Y669 M673	L236-M309 HydrophobicContact CD1-CG 3.67Å; L236-M309 HydrophobicContact CD1-SD 3.21Å; L236-M309 WeakPolarHBondContact CD1-SD 2.98Å; L274-M309 HydrophobicContact CD1-CG 3.7Å; L274-M309 HydrophobicContact CD1-SD 4.32Å; L274-M309 HydrophobicContact CD2-CE 4.15Å; L274-M309 HydrophobicContact CD2-SD 4.22Å; L274-M309 HydrophobicContact CG-CE 4.16Å; L274-M309 HydrophobicContact CG-CG 4.32Å; L274-M309 HydrophobicContact CG-SD 4.43Å; E304-M309 VanDerWaalsContact O-CG 3.27Å; E304-M309 WeakPolarHBondContact O-CG 3.48Å; E304-M309 PolarHBondContact O-N 3.28Å; L305-M309 WeakPolarHBondContact O-CB 3.26Å; M309-L312 WeakPolarHBondContact O-CB 3.44Å; M309-L312 HydrophobicContact SD-CD2 4.01Å; M309-L313 PolarHBondContact O-N 3Å; M309-L313 VanDerWaalsContact O-N 3.11Å; M309-Y669 WeakPolarHBondContact CE-OH 3.42Å; M309-M673 HydrophobicContact CE-CE 3.58Å; M309-M673 HydrophobicContact CE-SD 3.35Å; M309-M673 WeakPolarHBondContact CE-SD 3.29Å; M309-M673 HydrophobicContact SD-CE 3.97Å; M309-M673 HydrophobicContact SD-SD 4.29Å
310	N	89.3	Confident	89.9	Confident	86 Å²	86	47.6 Å²	47.6	46%	0.46	25%	0.246	S	C	.	.	H	α-helix	trans	-75.4	-31.8	175.1	-71	-37.4	0	0	0	112.4	Y306 I308 L313 A314	Y306-N310 WeakPolarHBondContact O-CB 3.46Å; Y306-N310 PolarHBondContact O-ND2 3.27Å; I308-N310 PolarHBondContact O-N 2.95Å; N310-L313 WeakPolarHBondContact O-CB 3.31Å; N310-L313 PolarHBondContact O-N 3.12Å; N310-A314 PolarHBondContact O-N 3.35Å
311	L	89.4	Confident	89.2	Confident	72 Å²	72	49 Å²	49	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-44.1	170.8	177.9	64.9	0	0	0	111	F307 I308 L313 A314 V315	F307-L311 VanDerWaalsContact O-CB 3.27Å; F307-L311 WeakPolarHBondContact O-CB 3.14Å; F307-L311 PolarHBondContact O-N 3.31Å; I308-L311 WeakPolarHBondContact O-CB 3.3Å; I308-L311 PolarHBondContact O-N 2.95Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 3.11Å; L311-A314 PolarHBondContact O-N 2.93Å; L311-A314 VanDerWaalsContact O-N 3.13Å; L311-V315 HydrophobicContact CD1-CG2 4.3Å; L311-V315 PolarHBondContact O-N 2.86Å
312	L	86.3	Confident	88.8	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-47.5	174.4	-176.4	68.5	0	0	0	111	F229 I232 I308 M309 A314 V316 M673	F229-L312 HydrophobicContact CD2-CD1 3.39Å; F229-L312 HydrophobicContact CD2-CD2 4.22Å; F229-L312 HydrophobicContact CD2-CG 3.81Å; F229-L312 HydrophobicContact CE2-CD1 3.53Å; F229-L312 HydrophobicContact CE2-CD2 3.49Å; F229-L312 VanDerWaalsContact CE2-CD2 3.49Å; F229-L312 HydrophobicContact CE2-CG 3.59Å; F229-L312 HydrophobicContact CG-CD1 4.29Å; F229-L312 HydrophobicContact CZ-CD1 4.5Å; F229-L312 HydrophobicContact CZ-CD2 4.23Å; I232-L312 HydrophobicContact CB-CD1 3.47Å; I232-L312 VanDerWaalsContact CB-CD1 3.47Å; I232-L312 HydrophobicContact CD1-CD1 4.4Å; I232-L312 HydrophobicContact CG2-CB 3.88Å; I232-L312 HydrophobicContact CG2-CD1 3.57Å; I232-L312 HydrophobicContact CG2-CG 4.34Å; I308-L312 WeakPolarHBondContact O-CB 3.48Å; I308-L312 PolarHBondContact O-N 3.46Å; M309-L312 WeakPolarHBondContact O-CB 3.44Å; M309-L312 HydrophobicContact SD-CD2 4.01Å; L312-A314 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 2.84Å; L312-V316 WeakPolarHBondContact O-CB 3.41Å; L312-V316 VanDerWaalsContact O-CG2 3.23Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 2.65Å; L312-V316 VanDerWaalsContact O-N 3.12Å; L312-M673 HydrophobicContact CD2-CE 3.97Å
313	L	84.4	Confident	88.3	Confident	74 Å²	74	51.5 Å²	51.5	39%	0.387	26%	0.264	S	S	.	.	H	α-helix	trans	-57.3	-46.2	175.3	-172	96.3	0	0	0	112.2	M309 N310 L311 F317 T677	M309-L313 PolarHBondContact O-N 3Å; M309-L313 VanDerWaalsContact O-N 3.11Å; N310-L313 WeakPolarHBondContact O-CB 3.31Å; N310-L313 PolarHBondContact O-N 3.12Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 3.11Å; L313-F317 WeakPolarHBondContact O-CB 3.39Å; L313-F317 PolarHBondContact O-N 3.02Å; L313-T677 HydrophobicContact CD1-CG2 3.14Å
314	A	87.6	Confident	87.7	Confident	43 Å²	43	49.2 Å²	49.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-47	-177.1	0	0	0	0	0	112.1	N310 L311 L312 V316 F317 D318	N310-A314 PolarHBondContact O-N 3.35Å; L311-A314 PolarHBondContact O-N 2.93Å; L311-A314 VanDerWaalsContact O-N 3.13Å; L312-A314 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 2.84Å; A314-V316 VanDerWaalsContact C-N 3.35Å; A314-V316 PolarHBondContact O-N 3.15Å; A314-F317 WeakPolarHBondContact O-CB 3.31Å; A314-F317 PolarHBondContact O-N 3.26Å; A314-F317 VanDerWaalsContact O-N 3.14Å; A314-D318 PolarHBondContact O-N 2.88Å
315	V	87.2	Confident	87.4	Confident	44 Å²	44	51.1 Å²	51.1	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-40	179.7	174.3	0	0	0	0	111.6	I232 L311 F317 D318 T319	I232-V315 HydrophobicContact CD1-CB 3.47Å; I232-V315 VanDerWaalsContact CD1-CB 3.47Å; I232-V315 HydrophobicContact CD1-CG1 3.7Å; I232-V315 HydrophobicContact CD1-CG2 3.53Å; L311-V315 HydrophobicContact CD1-CG2 4.3Å; L311-V315 PolarHBondContact O-N 2.86Å; V315-F317 VanDerWaalsContact C-N 3.29Å; V315-F317 PolarHBondContact O-N 3.37Å; V315-D318 PolarHBondContact O-N 2.98Å; V315-T319 HydrophobicContact CG1-CG2 4.32Å; V315-T319 WeakPolarHBondContact O-CB 3.45Å; V315-T319 WeakPolarHBondContact O-CG2 3.09Å; V315-T319 PolarHBondContact O-N 3.01Å; V315-T319 PolarHBondContact O-OG1 3.06Å
316	V	83.4	Confident	87.2	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-40.3	174.4	170.2	0	0	0	0	111.3	F229 L312 A314 T319 F320 I678	F229-V316 HydrophobicContact CB-CG2 3.97Å; F229-V316 HydrophobicContact CD2-CG2 3.65Å; F229-V316 HydrophobicContact CG-CG2 4.28Å; L312-V316 WeakPolarHBondContact O-CB 3.41Å; L312-V316 VanDerWaalsContact O-CG2 3.23Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 2.65Å; L312-V316 VanDerWaalsContact O-N 3.12Å; A314-V316 VanDerWaalsContact C-N 3.35Å; A314-V316 PolarHBondContact O-N 3.15Å; V316-T319 PolarHBondContact O-OG1 3.48Å; V316-T319 VanDerWaalsContact O-OG1 3.12Å; V316-F320 WeakPolarHBondContact O-CB 3.28Å; V316-F320 PolarHBondContact O-N 2.75Å; V316-I678 HydrophobicContact CG1-CD1 3.5Å; V316-I678 VanDerWaalsContact CG1-CD1 3.5Å; V316-I678 HydrophobicContact CG1-CG1 3.4Å
317	F	82.6	Confident	86.8	Confident	64 Å²	64	50.1 Å²	50.1	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-47.7	178.4	175.7	-111.2	0	0	0	112.6	L313 A314 V315 F320 N321 A681	L313-F317 WeakPolarHBondContact O-CB 3.39Å; L313-F317 PolarHBondContact O-N 3.02Å; A314-F317 WeakPolarHBondContact O-CB 3.31Å; A314-F317 PolarHBondContact O-N 3.26Å; A314-F317 VanDerWaalsContact O-N 3.14Å; V315-F317 VanDerWaalsContact C-N 3.29Å; V315-F317 PolarHBondContact O-N 3.37Å; F317-F320 PolarHBondContact O-N 3.47Å; F317-N321 WeakPolarHBondContact CD1-ND2 3.41Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.43Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.47Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.49Å; F317-N321 VanDerWaalsContact O-CG 3.31Å; F317-N321 PolarHBondContact O-N 2.94Å; F317-N321 PolarHBondContact O-ND2 3.18Å; F317-A681 HydrophobicContact CD2-CB 3.34Å; F317-A681 HydrophobicContact CE2-CB 3.65Å; F317-A681 HydrophobicContact CG-CB 4.31Å
318	D	86.1	Confident	86.5	Confident	93 Å²	93	44.7 Å²	44.7	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-48.5	-178	-71.7	-17.2	0	0	0	111.1	A314 V315 F320 N321 D322	A314-D318 PolarHBondContact O-N 2.88Å; V315-D318 PolarHBondContact O-N 2.98Å; D318-F320 VanDerWaalsContact C-N 3.3Å; D318-F320 PolarHBondContact O-N 3.46Å; D318-N321 PolarHBondContact O-N 3.09Å; D318-N321 VanDerWaalsContact O-N 3.16Å; D318-D322 PolarHBondContact O-N 3.41Å
319	T	85.4	Confident	86.4	Confident	33 Å²	33	46.4 Å²	46.4	20%	0.202	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-38.5	176.3	54.6	0	0	0	0	112.5	V315 V316 D322 V323	V315-T319 HydrophobicContact CG1-CG2 4.32Å; V315-T319 WeakPolarHBondContact O-CB 3.45Å; V315-T319 WeakPolarHBondContact O-CG2 3.09Å; V315-T319 PolarHBondContact O-N 3.01Å; V315-T319 PolarHBondContact O-OG1 3.06Å; V316-T319 PolarHBondContact O-OG1 3.48Å; V316-T319 VanDerWaalsContact O-OG1 3.12Å; T319-D322 PolarHBondContact O-N 3.03Å; T319-V323 VanDerWaalsContact O-CG2 3.27Å; T319-V323 WeakPolarHBondContact O-CG2 3.5Å; T319-V323 PolarHBondContact O-N 3.22Å
320	F	82.9	Confident	86.4	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.9	179	-87	0	0	0	112.1	Q221 V316 F317 D318 V323 E324 I678 F682	Q221-F320 HydrophobicContact CB-CD2 4.18Å; Q221-F320 HydrophobicContact CB-CE2 3.66Å; Q221-F320 HydrophobicContact CB-CZ 4.47Å; V316-F320 WeakPolarHBondContact O-CB 3.28Å; V316-F320 PolarHBondContact O-N 2.75Å; F317-F320 PolarHBondContact O-N 3.47Å; D318-F320 VanDerWaalsContact C-N 3.3Å; D318-F320 PolarHBondContact O-N 3.46Å; F320-V323 PolarHBondContact O-N 2.88Å; F320-E324 PolarHBondContact O-N 3.46Å; F320-I678 HydrophobicContact CD1-CG2 4.3Å; F320-I678 HydrophobicContact CD2-CG2 3.54Å; F320-I678 HydrophobicContact CE1-CG2 4.31Å; F320-I678 HydrophobicContact CE2-CG2 3.51Å; F320-I678 HydrophobicContact CG-CG2 3.94Å; F320-I678 HydrophobicContact CZ-CG2 3.92Å; F320-F682 HydrophobicContact CE1-CB 4.47Å; F320-F682 AromaticContact CE1-CD2 3.81Å; F320-F682 HydrophobicContact CE1-CD2 3.81Å; F320-F682 HydrophobicContact CE1-CE2 4.41Å; F320-F682 HydrophobicContact CZ-CD2 4.16Å; F320-F682 HydrophobicContact CZ-CE2 4.45Å
321	N	83.1	Confident	86.4	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-41.2	178.2	-72.2	-29.4	0	0	0	111.8	F317 D318 V323 E324 K325	F317-N321 WeakPolarHBondContact CD1-ND2 3.41Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.43Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.47Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.49Å; F317-N321 VanDerWaalsContact O-CG 3.31Å; F317-N321 PolarHBondContact O-N 2.94Å; F317-N321 PolarHBondContact O-ND2 3.18Å; D318-N321 PolarHBondContact O-N 3.09Å; D318-N321 VanDerWaalsContact O-N 3.16Å; N321-V323 PolarHBondContact O-N 3.22Å; N321-E324 PolarHBondContact O-N 3.29Å; N321-K325 WeakPolarHBondContact O-CB 3.26Å; N321-K325 PolarHBondContact O-N 3.4Å
322	D	86.9	Confident	86.5	Confident	93 Å²	93	43 Å²	43	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-43.8	175.9	-73.6	-24.7	0	0	0	111.5	D318 T319 E324 K325 M326	D318-D322 PolarHBondContact O-N 3.41Å; T319-D322 PolarHBondContact O-N 3.03Å; D322-E324 VanDerWaalsContact C-N 3.33Å; D322-E324 PolarHBondContact O-N 3.21Å; D322-K325 PolarHBondContact O-N 3.24Å; D322-M326 WeakPolarHBondContact O-CB 3Å; D322-M326 WeakPolarHBondContact O-CG 3.25Å; D322-M326 PolarHBondContact O-N 2.97Å
323	V	86.7	Confident	86.7	Confident	35 Å²	35	44 Å²	44	21%	0.212	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-38.9	174.3	174.2	0	0	0	0	111.3	Q221 Q224 T319 F320 N321 K327	Q221-V323 HydrophobicContact CB-CG1 4.32Å; Q221-V323 HydrophobicContact CG-CG1 3.93Å; Q224-V323 HydrophobicContact CB-CG1 4.48Å; T319-V323 VanDerWaalsContact O-CG2 3.27Å; T319-V323 WeakPolarHBondContact O-CG2 3.5Å; T319-V323 PolarHBondContact O-N 3.22Å; F320-V323 PolarHBondContact O-N 2.88Å; N321-V323 PolarHBondContact O-N 3.22Å; V323-K327 VanDerWaalsContact O-CB 3.24Å; V323-K327 WeakPolarHBondContact O-CB 3.23Å; V323-K327 PolarHBondContact O-N 3.45Å
324	E	82.8	Confident	87	Confident	12 Å²	12	42 Å²	42	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-44	175.1	-178.6	163.9	-157.4	0	0	112	F320 N321 D322 K327 F328 R563 F682 K766	F320-E324 PolarHBondContact O-N 3.46Å; N321-E324 PolarHBondContact O-N 3.29Å; D322-E324 VanDerWaalsContact C-N 3.33Å; D322-E324 PolarHBondContact O-N 3.21Å; E324-K327 PolarHBondContact O-N 2.91Å; E324-F328 WeakPolarHBondContact O-CB 3.45Å; E324-F328 PolarHBondContact O-N 3.09Å; E324-R563 IonicContact OE1-NH2 2.69Å; E324-R563 IonicContact OE2-NH2 3.13Å; E324-F682 WeakPolarHBondContact OE2-CD2 3.34Å; E324-F682 WeakPolarHBondContact OE2-CE2 3.19Å; E324-K766 WeakPolarHBondContact OE1-CE 3.26Å; E324-K766 IonicContact OE1-NZ 2.87Å; E324-K766 PolarHBondContact OE1-NZ 2.75Å
325	K	86.9	Confident	87.2	Confident	41 Å²	41	42.6 Å²	42.6	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-53.6	176.7	178	178.5	173.2	174.9	0	111.5	N321 D322 K327 F328 K329 Y774 E777 W781	N321-K325 WeakPolarHBondContact O-CB 3.26Å; N321-K325 PolarHBondContact O-N 3.4Å; D322-K325 PolarHBondContact O-N 3.24Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 PolarHBondContact O-N 3.1Å; K325-F328 WeakPolarHBondContact O-CB 3.21Å; K325-F328 PolarHBondContact O-N 3.21Å; K325-F328 VanDerWaalsContact O-N 3.08Å; K325-K329 PolarHBondContact O-N 3.21Å; K325-Y774 HydrophobicContact CB-CE1 4.09Å; K325-Y774 HydrophobicContact CD-CD1 4.44Å; K325-Y774 HydrophobicContact CD-CE1 3.95Å; K325-Y774 HydrophobicContact CG-CD1 4.27Å; K325-Y774 HydrophobicContact CG-CE1 3.76Å; K325-E777 WeakPolarHBondContact CE-OE2 3.39Å; K325-E777 IonicContact NZ-OE1 3.35Å; K325-E777 PolarHBondContact NZ-OE1 3.19Å; K325-E777 IonicContact NZ-OE2 2.98Å; K325-E777 PolarHBondContact NZ-OE2 3.23Å; K325-W781 HydrophobicContact CG-CH2 4.4Å; K325-W781 HydrophobicContact CG-CZ2 4.24Å
326	M	88.5	Confident	87.5	Confident	102 Å²	102	42.1 Å²	42.1	50%	0.502	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-36.7	178.4	-66.9	-55.8	162.1	0	0	111.7	D322 K329 S330	D322-M326 WeakPolarHBondContact O-CB 3Å; D322-M326 WeakPolarHBondContact O-CG 3.25Å; D322-M326 PolarHBondContact O-N 2.97Å; M326-K329 PolarHBondContact O-N 3.42Å; M326-K329 HydrophobicContact SD-CD 4.49Å; M326-S330 WeakPolarHBondContact O-CB 3.28Å; M326-S330 PolarHBondContact O-N 3.29Å
327	K	85.9	Confident	87.9	Confident	65 Å²	65	42.7 Å²	42.7	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-37.5	175.9	-172.7	60.9	-166.2	155.6	0	112.4	V323 E324 K325 L331	V323-K327 VanDerWaalsContact O-CB 3.24Å; V323-K327 WeakPolarHBondContact O-CB 3.23Å; V323-K327 PolarHBondContact O-N 3.45Å; E324-K327 PolarHBondContact O-N 2.91Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 PolarHBondContact O-N 3.1Å; K327-L331 HydrophobicContact CG-CD1 4.32Å; K327-L331 VanDerWaalsContact O-CG 3.29Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 2.89Å
328	F	87.7	Confident	88.4	Confident	22 Å²	22	39.7 Å²	39.7	10%	0.096	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-45.6	174.6	178.3	-104.3	0	0	0	111.7	E324 K325 S330 L331 L332 M771 Y774 I778 W781	E324-F328 WeakPolarHBondContact O-CB 3.45Å; E324-F328 PolarHBondContact O-N 3.09Å; K325-F328 WeakPolarHBondContact O-CB 3.21Å; K325-F328 PolarHBondContact O-N 3.21Å; K325-F328 VanDerWaalsContact O-N 3.08Å; F328-S330 PolarHBondContact O-N 2.94Å; F328-L331 PolarHBondContact O-N 3.37Å; F328-L332 HydrophobicContact CE1-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CB 3.46Å; F328-L332 PolarHBondContact O-N 3.49Å; F328-M771 HydrophobicContact CZ-CB 4.46Å; F328-M771 HydrophobicContact CZ-CG 3.77Å; F328-Y774 HydrophobicContact CB-CE2 4.47Å; F328-Y774 AromaticContact CD1-CD2 3.52Å; F328-Y774 HydrophobicContact CD1-CD2 3.52Å; F328-Y774 AromaticContact CD1-CE2 3.95Å; F328-Y774 HydrophobicContact CD1-CE2 3.95Å; F328-Y774 AromaticContact CE1-CD2 3.84Å; F328-Y774 HydrophobicContact CE1-CD2 3.84Å; F328-Y774 HydrophobicContact CG-CD2 4.35Å; F328-Y774 HydrophobicContact CG-CE2 4.37Å; F328-I778 HydrophobicContact CE1-CD1 4.38Å; F328-W781 HydrophobicContact CD1-CH2 4.28Å; F328-W781 AromaticContact CD1-CZ3 3.92Å; F328-W781 HydrophobicContact CD1-CZ3 3.92Å; F328-W781 HydrophobicContact CE1-CZ3 4.12Å
329	K	91.3	Very high	88.7	Confident	37 Å²	37	35.4 Å²	35.4	16%	0.161	18%	0.18	C	C	.	.	H	α-helix	trans	-50.8	-55.1	171.6	178.6	-177.8	-179.3	-176.2	0	110.6	K325 M326 L331 L332 L333 W781 E784	K325-K329 PolarHBondContact O-N 3.21Å; M326-K329 PolarHBondContact O-N 3.42Å; M326-K329 HydrophobicContact SD-CD 4.49Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 3.19Å; K329-L332 PolarHBondContact O-N 3.34Å; K329-L332 VanDerWaalsContact O-N 3.14Å; K329-L333 HydrophobicContact CG-CD1 4.01Å; K329-L333 HydrophobicContact CG-CG 4.47Å; K329-L333 WeakPolarHBondContact O-CG 3.31Å; K329-L333 PolarHBondContact O-N 3.25Å; K329-W781 HydrophobicContact CB-CD2 4.06Å; K329-W781 HydrophobicContact CB-CE3 3.92Å; K329-W781 HydrophobicContact CB-CH2 4.29Å; K329-W781 HydrophobicContact CB-CZ2 4.43Å; K329-W781 HydrophobicContact CB-CZ3 4.04Å; K329-W781 HydrophobicContact CD-CB 4.46Å; K329-W781 HydrophobicContact CD-CD2 3.96Å; K329-W781 HydrophobicContact CD-CG 3.84Å; K329-W781 HydrophobicContact CG-CB 4.28Å; K329-W781 HydrophobicContact CG-CD2 3.71Å; K329-W781 HydrophobicContact CG-CE3 3.92Å; K329-W781 HydrophobicContact CG-CG 3.88Å; K329-E784 WeakPolarHBondContact CE-OE2 3.42Å; K329-E784 IonicContact NZ-OE1 3.5Å; K329-E784 PolarHBondContact NZ-OE1 3.07Å; K329-E784 IonicContact NZ-OE2 2.74Å; K329-E784 PolarHBondContact NZ-OE2 3.44Å
330	S	89.5	Confident	89	Confident	46 Å²	46	35 Å²	35	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-56.7	-42.1	178.4	169.9	0	0	0	0	113.3	M326 F328 H334	M326-S330 WeakPolarHBondContact O-CB 3.28Å; M326-S330 PolarHBondContact O-N 3.29Å; F328-S330 PolarHBondContact O-N 2.94Å; S330-H334 VanDerWaalsContact O-CB 3.3Å; S330-H334 WeakPolarHBondContact O-CB 3.44Å; S330-H334 PolarHBondContact O-N 2.79Å
331	L	89.3	Confident	89.4	Confident	37 Å²	37	37.9 Å²	37.9	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-37.2	178.1	-74.5	169.1	0	0	0	112.7	N81 K327 F328 K329 K335	N81-L331 HydrophobicContact CB-CD2 3.64Å; N81-L331 VanDerWaalsContact CG-CD2 3.48Å; N81-L331 WeakPolarHBondContact OD1-CD2 3.44Å; K327-L331 HydrophobicContact CG-CD1 4.32Å; K327-L331 VanDerWaalsContact O-CG 3.29Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 2.89Å; F328-L331 PolarHBondContact O-N 3.37Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 3.19Å; L331-K335 WeakPolarHBondContact O-CG 3.44Å; L331-K335 PolarHBondContact O-N 3.28Å
332	L	91	Very high	89.8	Confident	19 Å²	19	36.5 Å²	36.5	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-46.8	179.1	-173	66.8	0	0	0	110.8	F328 K329 K335 R336 M771 I778 W781 Y782	F328-L332 HydrophobicContact CE1-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CB 3.46Å; F328-L332 PolarHBondContact O-N 3.49Å; K329-L332 PolarHBondContact O-N 3.34Å; K329-L332 VanDerWaalsContact O-N 3.14Å; L332-K335 WeakPolarHBondContact O-CB 3.44Å; L332-K335 PolarHBondContact O-N 3.15Å; L332-R336 PolarHBondContact O-N 3.46Å; L332-M771 HydrophobicContact CD1-SD 4.49Å; L332-I778 HydrophobicContact CD2-CD1 4.32Å; L332-I778 HydrophobicContact CD2-CG1 4.02Å; L332-I778 HydrophobicContact CD2-CG2 4.05Å; L332-W781 HydrophobicContact CD2-CE3 4.37Å; L332-Y782 HydrophobicContact CD2-CE1 3.94Å; L332-Y782 WeakPolarHBondContact CD2-OH 3.34Å; L332-Y782 HydrophobicContact CG-CE1 4.04Å
333	L	92.2	Very high	90.1	Very high	24 Å²	24	33 Å²	33	13%	0.126	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-40.3	177.8	-64.1	-179.1	0	0	0	111.9	K329 K335 R336 S337 Y782 Y785	K329-L333 HydrophobicContact CG-CD1 4.01Å; K329-L333 HydrophobicContact CG-CG 4.47Å; K329-L333 WeakPolarHBondContact O-CG 3.31Å; K329-L333 PolarHBondContact O-N 3.25Å; L333-K335 VanDerWaalsContact C-N 3.33Å; L333-K335 PolarHBondContact O-N 2.68Å; L333-R336 WeakPolarHBondContact O-CB 3.5Å; L333-R336 PolarHBondContact O-N 2.97Å; L333-R336 VanDerWaalsContact O-N 3.11Å; L333-S337 PolarHBondContact O-N 3.37Å; L333-Y782 HydrophobicContact CD2-CD1 3.92Å; L333-Y782 HydrophobicContact CD2-CE1 4.28Å; L333-Y785 HydrophobicContact CB-CD2 4.34Å; L333-Y785 HydrophobicContact CD1-CD2 4.48Å; L333-Y785 HydrophobicContact CD2-CD2 4.27Å; L333-Y785 HydrophobicContact CD2-CG 3.96Å
334	H	90.9	Very high	90.2	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.157	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-40.5	175.3	-172.5	-91.7	0	0	0	112.7	D82 F84 S330 R336 S337 A338	D82-H334 PolarHBondContact O-CE1 3.42Å; D82-H334 PolarHBondContact O-NE2 3.39Å; D82-H334 VanDerWaalsContact O-NE2 3.1Å; F84-H334 AromaticContact CE1-CE1 3.82Å; F84-H334 AromaticContact CE1-NE2 3.96Å; F84-H334 AromaticContact CE2-NE2 3.79Å; F84-H334 AromaticContact CZ-CE1 3.6Å; F84-H334 AromaticContact CZ-NE2 3.59Å; S330-H334 VanDerWaalsContact O-CB 3.3Å; S330-H334 WeakPolarHBondContact O-CB 3.44Å; S330-H334 PolarHBondContact O-N 2.79Å; H334-R336 VanDerWaalsContact C-N 3.34Å; H334-S337 PolarHBondContact O-N 3.19Å; H334-A338 PolarHBondContact O-N 2.96Å
335	K	91.6	Very high	90.4	Very high	54 Å²	54	38.9 Å²	38.9	24%	0.235	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-40.1	173.2	-79	-178.1	177.5	-169.8	0	111.9	G78 L331 L332 L333 A338 I339 Y400	G78-K335 WeakPolarHBondContact O-CG 3.48Å; L331-K335 WeakPolarHBondContact O-CG 3.44Å; L331-K335 PolarHBondContact O-N 3.28Å; L332-K335 WeakPolarHBondContact O-CB 3.44Å; L332-K335 PolarHBondContact O-N 3.15Å; L333-K335 VanDerWaalsContact C-N 3.33Å; L333-K335 PolarHBondContact O-N 2.68Å; K335-A338 PolarHBondContact O-N 3.23Å; K335-I339 WeakPolarHBondContact O-CG1 3.15Å; K335-I339 PolarHBondContact O-N 3.19Å; K335-I339 VanDerWaalsContact O-N 3.13Å; K335-Y400 HydrophobicContact CB-CD2 4.18Å; K335-Y400 HydrophobicContact CB-CE2 3.76Å; K335-Y400 HydrophobicContact CD-CD2 4.13Å; K335-Y400 HydrophobicContact CD-CE2 4.21Å; K335-Y400 HydrophobicContact CG-CD2 4.36Å; K335-Y400 HydrophobicContact CG-CE2 3.95Å
336	R	92.4	Very high	90.3	Very high	34 Å²	34	37 Å²	37	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-46.9	177.4	-167.8	170.9	-177.2	139.2	-2.7	111.2	L332 L333 H334 A338 I339 D340 Y397 Y782	L332-R336 PolarHBondContact O-N 3.46Å; L333-R336 WeakPolarHBondContact O-CB 3.5Å; L333-R336 PolarHBondContact O-N 2.97Å; L333-R336 VanDerWaalsContact O-N 3.11Å; H334-R336 VanDerWaalsContact C-N 3.34Å; R336-A338 VanDerWaalsContact C-N 3.32Å; R336-A338 PolarHBondContact O-N 3.33Å; R336-I339 WeakPolarHBondContact O-CA 3.26Å; R336-I339 WeakPolarHBondContact O-CB 3.45Å; R336-I339 PolarHBondContact O-N 3.46Å; R336-D340 PolarHBondContact O-N 2.85Å; R336-Y397 HydrophobicContact CG-CD1 3.87Å; R336-Y397 HydrophobicContact CG-CE1 3.46Å; R336-Y397 VanDerWaalsContact CG-CE1 3.46Å; R336-Y782 VanDerWaalsContact NH1-CE2 3.34Å
337	S	91.6	Very high	90.2	Very high	18 Å²	18	33.4 Å²	33.4	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-42.5	174.8	-170.3	0	0	0	0	112.6	L333 H334 I339 D340 H341 Y785	L333-S337 PolarHBondContact O-N 3.37Å; H334-S337 PolarHBondContact O-N 3.19Å; S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 2.75Å; S337-D340 WeakPolarHBondContact O-CB 3.47Å; S337-D340 PolarHBondContact O-N 2.93Å; S337-H341 PolarHBondContact O-N 3.48Å; S337-H341 PolarHBondContact O-ND1 3.18Å; S337-Y785 VanDerWaalsContact CA-OH 3.29Å; S337-Y785 WeakPolarHBondContact CA-OH 3.49Å; S337-Y785 WeakPolarHBondContact CB-OH 3.48Å; S337-Y785 PolarHBondContact OG-OH 3.32Å
338	A	93	Very high	89.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-38.1	174.4	0	0	0	0	0	113	Y74 F84 H334 K335 R336 A342	Y74-A338 WeakPolarHBondContact O-CB 3.31Å; F84-A338 HydrophobicContact CE1-CB 4.07Å; F84-A338 HydrophobicContact CZ-CB 3.79Å; H334-A338 PolarHBondContact O-N 2.96Å; K335-A338 PolarHBondContact O-N 3.23Å; R336-A338 VanDerWaalsContact C-N 3.32Å; R336-A338 PolarHBondContact O-N 3.33Å; A338-A342 VanDerWaalsContact O-CB 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.38Å; A338-A342 PolarHBondContact O-N 3.47Å
339	I	93.2	Very high	88.6	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-42.6	175.8	-67.1	171.7	0	0	0	110.2	L75 K335 R336 S337 A342 F343 F396 Y397 F399 Y400	L75-I339 HydrophobicContact CD2-CG1 4.02Å; K335-I339 WeakPolarHBondContact O-CG1 3.15Å; K335-I339 PolarHBondContact O-N 3.19Å; K335-I339 VanDerWaalsContact O-N 3.13Å; R336-I339 WeakPolarHBondContact O-CA 3.26Å; R336-I339 WeakPolarHBondContact O-CB 3.45Å; R336-I339 PolarHBondContact O-N 3.46Å; S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 2.75Å; I339-A342 PolarHBondContact O-N 3.04Å; I339-F343 VanDerWaalsContact O-CB 3.25Å; I339-F343 WeakPolarHBondContact O-CB 3.43Å; I339-F343 PolarHBondContact O-N 2.85Å; I339-F396 HydrophobicContact CG2-CD1 3.38Å; I339-F396 HydrophobicContact CG2-CE1 3.86Å; I339-F396 HydrophobicContact CG2-CG 4.32Å; I339-Y397 HydrophobicContact CB-CD1 4.27Å; I339-Y397 HydrophobicContact CB-CE1 4.48Å; I339-Y397 HydrophobicContact CD1-CD1 4.33Å; I339-Y397 HydrophobicContact CG2-CD1 3.78Å; I339-Y397 HydrophobicContact CG2-CE1 4.11Å; I339-F399 HydrophobicContact CD1-CB 4.41Å; I339-Y400 HydrophobicContact CD1-CD2 3.76Å; I339-Y400 HydrophobicContact CD1-CE2 3.72Å; I339-Y400 HydrophobicContact CG1-CD2 4.3Å; I339-Y400 HydrophobicContact CG1-CE2 3.77Å
340	D	91.9	Very high	87.1	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-50.3	178.4	-61.9	-37.1	0	0	0	110.9	R336 S337 A342 F343 Q344 Y397 Y785	R336-D340 PolarHBondContact O-N 2.85Å; S337-D340 WeakPolarHBondContact O-CB 3.47Å; S337-D340 PolarHBondContact O-N 2.93Å; D340-A342 PolarHBondContact O-N 2.99Å; D340-F343 PolarHBondContact O-N 2.89Å; D340-Q344 WeakPolarHBondContact O-CG 3.2Å; D340-Q344 PolarHBondContact O-N 3.31Å; D340-Y397 WeakPolarHBondContact OD1-CE1 3.3Å; D340-Y397 VanDerWaalsContact OD1-CZ 3.29Å; D340-Y397 PolarHBondContact OD1-OH 3.03Å; D340-Y785 PolarHBondContact OD2-OH 3.06Å
341	H	91	Very high	85.9	Confident	66 Å²	66	55.4 Å²	55.4	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-45.1	177.4	-70.4	81	0	0	0	112.2	Y74 S337 F343 Q344 L345	Y74-H341 HydrophobicContact CD1-CB 3.9Å; Y74-H341 HydrophobicContact CE1-CB 4.11Å; Y74-H341 HydrophobicContact CG-CB 4.12Å; S337-H341 PolarHBondContact O-N 3.48Å; S337-H341 PolarHBondContact O-ND1 3.18Å; H341-F343 VanDerWaalsContact C-N 3.33Å; H341-F343 PolarHBondContact O-N 2.72Å; H341-Q344 PolarHBondContact O-N 3.44Å; H341-L345 WeakPolarHBondContact O-CG 3.29Å; H341-L345 PolarHBondContact O-N 3.09Å
342	A	92.2	Very high	84.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-38.8	177.7	0	0	0	0	0	111.8	A71 L75 A338 I339 D340 L345 L346	A71-A342 HydrophobicContact CB-CB 4.25Å; L75-A342 HydrophobicContact CD1-CB 4.15Å; L75-A342 HydrophobicContact CD2-CB 4.1Å; L75-A342 HydrophobicContact CG-CB 3.8Å; A338-A342 VanDerWaalsContact O-CB 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.38Å; A338-A342 PolarHBondContact O-N 3.47Å; I339-A342 PolarHBondContact O-N 3.04Å; D340-A342 PolarHBondContact O-N 2.99Å; A342-L345 PolarHBondContact O-N 3.13Å; A342-L346 WeakPolarHBondContact O-CB 3.46Å; A342-L346 VanDerWaalsContact O-CD1 3.3Å; A342-L346 WeakPolarHBondContact O-CD1 3.49Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 3.31Å; A342-L346 VanDerWaalsContact O-N 3.15Å
343	F	91.6	Very high	83.7	Confident	21 Å²	21	64.5 Å²	64.5	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-46.4	177.4	-173.4	-93.2	0	0	0	111.1	I339 D340 H341 L345 L346 V347 V355 L393 F396	I339-F343 VanDerWaalsContact O-CB 3.25Å; I339-F343 WeakPolarHBondContact O-CB 3.43Å; I339-F343 PolarHBondContact O-N 2.85Å; D340-F343 PolarHBondContact O-N 2.89Å; H341-F343 VanDerWaalsContact C-N 3.33Å; H341-F343 PolarHBondContact O-N 2.72Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 PolarHBondContact O-N 2.75Å; F343-L346 PolarHBondContact O-N 3.2Å; F343-L346 VanDerWaalsContact O-N 3.09Å; F343-V347 HydrophobicContact CD1-CG2 3.77Å; F343-V347 HydrophobicContact CE1-CG2 3.48Å; F343-V347 VanDerWaalsContact CE1-CG2 3.48Å; F343-V347 HydrophobicContact CE2-CG2 4.4Å; F343-V347 HydrophobicContact CG-CG2 4.35Å; F343-V347 HydrophobicContact CZ-CG2 3.83Å; F343-V347 VanDerWaalsContact O-CG2 3.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.16Å; F343-V347 PolarHBondContact O-N 2.66Å; F343-V355 HydrophobicContact CD2-CG2 3.74Å; F343-V355 HydrophobicContact CE2-CG2 3.66Å; F343-V355 HydrophobicContact CZ-CG2 4.44Å; F343-L393 HydrophobicContact CB-CD1 3.86Å; F343-L393 HydrophobicContact CD1-CB 4.4Å; F343-L393 HydrophobicContact CD1-CD1 3.86Å; F343-L393 HydrophobicContact CD2-CD1 4.05Å; F343-L393 HydrophobicContact CE1-CB 4.09Å; F343-L393 HydrophobicContact CE1-CD1 4.4Å; F343-L393 HydrophobicContact CE2-CB 4.29Å; F343-L393 HydrophobicContact CG-CD1 3.66Å; F343-L393 HydrophobicContact CZ-CB 4.04Å; F343-F396 HydrophobicContact CB-CD1 4.06Å; F343-F396 HydrophobicContact CB-CE1 4.34Å; F343-F396 HydrophobicContact CD2-CB 4.03Å; F343-F396 AromaticContact CD2-CD1 3.8Å; F343-F396 HydrophobicContact CD2-CD1 3.8Å; F343-F396 HydrophobicContact CD2-CG 4.01Å; F343-F396 HydrophobicContact CE2-CB 4.35Å; F343-F396 HydrophobicContact CG-CD1 4.41Å
344	Q	88.8	Confident	83.2	Confident	127 Å²	127	63.5 Å²	63.5	59%	0.593	30%	0.295	S	S	*	.	H	α-helix	trans	-56.9	-39.9	176.9	-71.5	174.3	0.7	0	0	112.5	D340 H341	D340-Q344 WeakPolarHBondContact O-CG 3.2Å; D340-Q344 PolarHBondContact O-N 3.31Å; H341-Q344 PolarHBondContact O-N 3.44Å
345	L	87.3	Confident	83	Confident	43 Å²	43	61.9 Å²	61.9	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-71.3	-28.6	177.3	-71.6	170	0	0	0	114.1	E70 A71 Y74 H341 A342 F343	E70-L345 HydrophobicContact CB-CD1 4.34Å; E70-L345 HydrophobicContact CG-CD1 4.02Å; A71-L345 HydrophobicContact CB-CB 4.25Å; A71-L345 HydrophobicContact CB-CD1 4.37Å; Y74-L345 HydrophobicContact CD2-CD1 3.55Å; Y74-L345 HydrophobicContact CE2-CD1 3.52Å; H341-L345 WeakPolarHBondContact O-CG 3.29Å; H341-L345 PolarHBondContact O-N 3.09Å; A342-L345 PolarHBondContact O-N 3.13Å; F343-L345 VanDerWaalsContact C-N 3.28Å; F343-L345 PolarHBondContact O-N 2.75Å
346	L	85.8	Confident	82.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-87.7	-20.9	-176.8	-69	167.4	0	0	0	113	Y68 A71 A342 F343 V355 Q359 L363 F396	Y68-L346 HydrophobicContact CD1-CD2 3.77Å; Y68-L346 HydrophobicContact CE1-CD2 4.16Å; A71-L346 HydrophobicContact CB-CD1 4.26Å; A71-L346 HydrophobicContact CB-CD2 4.05Å; A71-L346 HydrophobicContact CB-CG 3.94Å; A342-L346 WeakPolarHBondContact O-CB 3.46Å; A342-L346 VanDerWaalsContact O-CD1 3.3Å; A342-L346 WeakPolarHBondContact O-CD1 3.49Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 3.31Å; A342-L346 VanDerWaalsContact O-N 3.15Å; F343-L346 PolarHBondContact O-N 3.2Å; F343-L346 VanDerWaalsContact O-N 3.09Å; L346-V355 HydrophobicContact CB-CG1 4.31Å; L346-V355 HydrophobicContact CB-CG2 3.91Å; L346-Q359 PolarHBondContact O-NE2 3.33Å; L346-Q359 PolarHBondContact O-OE1 3.31Å; L346-L363 HydrophobicContact CD1-CB 4.46Å; L346-L363 HydrophobicContact CD1-CD1 4.28Å; L346-L363 HydrophobicContact CD1-CD2 3.81Å; L346-L363 HydrophobicContact CD1-CG 4.4Å; L346-L363 HydrophobicContact CD2-CB 4.1Å; L346-L363 HydrophobicContact CD2-CD1 4.45Å; L346-F396 HydrophobicContact CD1-CZ 4.12Å
347	V	85.3	Confident	82.6	Confident	28 Å²	28	60.1 Å²	60.1	17%	0.17	29%	0.285	C	S	.	.	S	Bend	trans	-73.4	139.3	178.3	166.2	0	0	0	0	110.6	F343 R351 P352 V355	F343-V347 HydrophobicContact CD1-CG2 3.77Å; F343-V347 HydrophobicContact CE1-CG2 3.48Å; F343-V347 VanDerWaalsContact CE1-CG2 3.48Å; F343-V347 HydrophobicContact CE2-CG2 4.4Å; F343-V347 HydrophobicContact CG-CG2 4.35Å; F343-V347 HydrophobicContact CZ-CG2 3.83Å; F343-V347 VanDerWaalsContact O-CG2 3.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.16Å; F343-V347 PolarHBondContact O-N 2.66Å; V347-R351 WeakPolarHBondContact CG1-O 3.45Å; V347-P352 HydrophobicContact CG1-CB 4.38Å; V347-P352 VanDerWaalsContact CG1-O 3.26Å; V347-P352 WeakPolarHBondContact CG1-O 3.42Å; V347-V355 HydrophobicContact CG2-CG2 4.25Å
348	S	72.8	Confident	82.3	Confident	24 Å²	24	64.6 Å²	64.6	17%	0.168	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-91.9	147	178	71.8	0	0	0	0	111.4	Q350 R351	S348-Q350 PolarHBondContact O-N 3.04Å; S348-R351 CarbonylContact O-C 3.57Å; S348-R351 PolarHBondContact O-N 3.04Å; S348-R351 PolarHBondContact OG-N 3.21Å; S348-R351 VanDerWaalsContact OG-N 3.13Å
349	R	67.2	Low	82.1	Confident	255 Å²	255	65.2 Å²	65.2	96%	0.962	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26	172.7	-75	-173.5	171.2	179	-2.9	114.1
350	Q	60.6	Low	82	Confident	186 Å²	186	65.1 Å²	65.1	87%	0.869	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-18.9	179.8	-66.6	179.3	-7.7	0	0	113.7	S348	S348-Q350 PolarHBondContact O-N 3.04Å
351	R	64.6	Low	81.8	Confident	166 Å²	166	64.3 Å²	64.3	63%	0.626	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-141.7	83.6	177.6	-68.9	-172.6	-174	159.4	2.2	108.9	V347 S348 M353	V347-R351 WeakPolarHBondContact CG1-O 3.45Å; S348-R351 CarbonylContact O-C 3.57Å; S348-R351 PolarHBondContact O-N 3.04Å; S348-R351 PolarHBondContact OG-N 3.21Å; S348-R351 VanDerWaalsContact OG-N 3.13Å; R351-M353 PolarHBondContact O-N 3.42Å
352	P	66.3	Low	81.6	Confident	88 Å²	88	61.3 Å²	61.3	57%	0.571	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.3	-176.9	26	-32.6	0	0	0	113.3	V347	V347-P352 HydrophobicContact CG1-CB 4.38Å; V347-P352 VanDerWaalsContact CG1-O 3.26Å; V347-P352 WeakPolarHBondContact CG1-O 3.42Å
353	M	68.2	Low	81.6	Confident	160 Å²	160	61.3 Å²	61.3	79%	0.788	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.2	-167.2	-63.9	-62.2	-68.7	0	0	115.2	R351	R351-M353 PolarHBondContact O-N 3.42Å
354	G	81.1	Confident	81.6	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.031	28%	0.283	C	S	.	.			trans	179.2	160.7	176.5	0	0	0	0	0	117.5	L391	G354-L391 CarbonylContact C-O 3.51Å; G354-L391 WeakPolarHBondContact CA-O 3.34Å
355	V	86.5	Confident	81.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.6	-178.7	179.6	0	0	0	0	110	F343 L346 V347 Q359 F360 T390 L391	F343-V355 HydrophobicContact CD2-CG2 3.74Å; F343-V355 HydrophobicContact CE2-CG2 3.66Å; F343-V355 HydrophobicContact CZ-CG2 4.44Å; L346-V355 HydrophobicContact CB-CG1 4.31Å; L346-V355 HydrophobicContact CB-CG2 3.91Å; V347-V355 HydrophobicContact CG2-CG2 4.25Å; V355-Q359 HydrophobicContact CG1-CB 3.86Å; V355-F360 HydrophobicContact CG1-CB 4.26Å; V355-T390 WeakPolarHBondContact O-CA 3.38Å; V355-L391 HydrophobicContact CB-CB 4.41Å; V355-L391 PolarHBondContact N-O 2.65Å; V355-L391 PolarHBondContact O-N 2.93Å
356	S	87.9	Confident	81.7	Confident	29 Å²	29	59.8 Å²	59.8	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	158.1	175.9	67.1	0	0	0	0	112.3	K358 Q359 F360	S356-K358 PolarHBondContact O-N 3.15Å; S356-K358 VanDerWaalsContact O-N 3.13Å; S356-Q359 PolarHBondContact O-N 3.49Å; S356-Q359 PolarHBondContact OG-N 3.02Å; S356-Q359 PolarHBondContact OG-OE1 3.05Å; S356-F360 PolarHBondContact O-N 3.15Å
357	L	87.1	Confident	81.9	Confident	22 Å²	22	60.6 Å²	60.6	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-34.5	175.1	-179.6	66.6	0	0	0	112.6	D361 F377 F380 T724	L357-D361 VanDerWaalsContact O-CB 3.27Å; L357-D361 WeakPolarHBondContact O-CB 3.5Å; L357-D361 PolarHBondContact O-N 2.92Å; L357-F377 HydrophobicContact CD1-CD2 4.41Å; L357-F377 HydrophobicContact CD2-CD2 4.33Å; L357-F380 HydrophobicContact CB-CE1 4.28Å; L357-F380 HydrophobicContact CB-CE2 4.23Å; L357-F380 HydrophobicContact CB-CZ 4.11Å; L357-F380 HydrophobicContact CD1-CB 3.76Å; L357-F380 HydrophobicContact CD1-CD1 3.75Å; L357-F380 HydrophobicContact CD1-CD2 3.88Å; L357-F380 HydrophobicContact CD1-CE1 4.3Å; L357-F380 HydrophobicContact CD1-CE2 4.41Å; L357-F380 HydrophobicContact CD1-CG 3.51Å; L357-T724 HydrophobicContact CD2-CG2 3.52Å
358	K	86.4	Confident	82	Confident	111 Å²	111	64.3 Å²	64.3	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-44.4	177.6	-179.6	177.2	176.1	-178	0	112.2	S356 D361 G362 T731	S356-K358 PolarHBondContact O-N 3.15Å; S356-K358 VanDerWaalsContact O-N 3.13Å; K358-D361 PolarHBondContact O-N 2.9Å; K358-G362 PolarHBondContact O-N 3.01Å; K358-G362 VanDerWaalsContact O-N 3.1Å; K358-T731 HydrophobicContact CD-CG2 4.29Å; K358-T731 HydrophobicContact CG-CG2 4.21Å
359	Q	88.8	Confident	82.6	Confident	13 Å²	13	68 Å²	68	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-70.2	-42.1	178.8	-71.9	154.6	-38.5	0	0	111.2	W64 Y68 L346 V355 S356 D361 G362 L363	W64-Q359 HydrophobicContact CZ3-CG 4.08Å; Y68-Q359 HydrophobicContact CE1-CB 4.16Å; Y68-Q359 HydrophobicContact CE1-CG 4.27Å; L346-Q359 PolarHBondContact O-NE2 3.33Å; L346-Q359 PolarHBondContact O-OE1 3.31Å; V355-Q359 HydrophobicContact CG1-CB 3.86Å; S356-Q359 PolarHBondContact O-N 3.49Å; S356-Q359 PolarHBondContact OG-N 3.02Å; S356-Q359 PolarHBondContact OG-OE1 3.05Å; Q359-D361 VanDerWaalsContact C-N 3.3Å; Q359-D361 PolarHBondContact O-N 3.48Å; Q359-G362 PolarHBondContact O-N 3.01Å; Q359-L363 PolarHBondContact O-N 3.02Å
360	F	90	Very high	83.5	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-40.9	173.5	-175.8	-94.9	0	0	0	111.8	V355 S356 G362 L363 M364 F380 L383 L391 F396 F399	V355-F360 HydrophobicContact CG1-CB 4.26Å; S356-F360 PolarHBondContact O-N 3.15Å; F360-G362 VanDerWaalsContact C-N 3.34Å; F360-G362 PolarHBondContact O-N 3.02Å; F360-L363 WeakPolarHBondContact O-CB 3.19Å; F360-L363 PolarHBondContact O-N 3.35Å; F360-M364 HydrophobicContact CD1-CG 3.98Å; F360-M364 HydrophobicContact CD2-CE 4.42Å; F360-M364 HydrophobicContact CE1-CE 4.24Å; F360-M364 HydrophobicContact CE1-CG 3.63Å; F360-M364 HydrophobicContact CE1-SD 4.34Å; F360-M364 HydrophobicContact CE2-CE 3.68Å; F360-M364 HydrophobicContact CZ-CE 3.58Å; F360-M364 HydrophobicContact CZ-CG 3.96Å; F360-M364 HydrophobicContact CZ-SD 4.14Å; F360-M364 VanDerWaalsContact O-CG 3.25Å; F360-M364 WeakPolarHBondContact O-CG 3.35Å; F360-M364 PolarHBondContact O-N 3.39Å; F360-F380 HydrophobicContact CB-CD2 3.82Å; F360-F380 HydrophobicContact CB-CE2 4.24Å; F360-F380 HydrophobicContact CD1-CB 3.85Å; F360-F380 AromaticContact CD1-CD2 3.87Å; F360-F380 HydrophobicContact CD1-CD2 3.87Å; F360-F380 HydrophobicContact CD1-CG 4.34Å; F360-F380 HydrophobicContact CD2-CD2 4.3Å; F360-F380 HydrophobicContact CE1-CB 3.85Å; F360-F380 AromaticContact CG-CD2 3.74Å; F360-F380 HydrophobicContact CG-CD2 3.74Å; F360-L383 HydrophobicContact CE2-CD1 3.6Å; F360-L383 HydrophobicContact CZ-CD1 3.87Å; F360-L391 HydrophobicContact CD2-CD1 4.09Å; F360-L391 HydrophobicContact CE2-CD1 4.45Å; F360-F396 HydrophobicContact CD2-CE2 4.39Å; F360-F396 HydrophobicContact CE2-CE2 4.43Å; F360-F399 HydrophobicContact CE2-CD2 4.5Å; F360-F399 HydrophobicContact CE2-CE2 4.23Å
361	D	88.1	Confident	84.7	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-41.5	176.1	-168.9	61.8	0	0	0	112.6	L357 K358 Q359 M364 R365 R376 Y728	L357-D361 VanDerWaalsContact O-CB 3.27Å; L357-D361 WeakPolarHBondContact O-CB 3.5Å; L357-D361 PolarHBondContact O-N 2.92Å; K358-D361 PolarHBondContact O-N 2.9Å; Q359-D361 VanDerWaalsContact C-N 3.3Å; Q359-D361 PolarHBondContact O-N 3.48Å; D361-M364 PolarHBondContact O-N 3.28Å; D361-R365 WeakPolarHBondContact O-CG 3.37Å; D361-R365 PolarHBondContact O-N 3.09Å; D361-R365 IonicContact OD2-CZ 2.99Å; D361-R365 IonicContact OD2-NE 3.73Å; D361-R365 PolarHBondContact OD2-NE 2.98Å; D361-R365 IonicContact OD2-NH2 2.7Å; D361-R365 PolarHBondContact OD2-NH2 3.47Å; D361-R376 WeakPolarHBondContact OD1-CD 3.28Å; D361-R376 IonicContact OD1-CZ 2.65Å; D361-R376 IonicContact OD1-NE 3.42Å; D361-R376 PolarHBondContact OD1-NE 3.11Å; D361-R376 IonicContact OD1-NH1 3Å; D361-R376 PolarHBondContact OD1-NH1 3.02Å; D361-R376 IonicContact OD1-NH2 3.7Å; D361-R376 IonicContact OD2-CZ 2.68Å; D361-R376 IonicContact OD2-NH1 3.88Å; D361-R376 PolarHBondContact OD2-NH1 2.9Å; D361-Y728 PolarHBondContact OD1-OH 3.39Å
362	G	88.3	Confident	85.8	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-50.2	174.4	0	0	0	0	0	112.3	K358 Q359 F360 M364 R365	K358-G362 PolarHBondContact O-N 3.01Å; K358-G362 VanDerWaalsContact O-N 3.1Å; Q359-G362 PolarHBondContact O-N 3.01Å; F360-G362 VanDerWaalsContact C-N 3.34Å; F360-G362 PolarHBondContact O-N 3.02Å; G362-M364 VanDerWaalsContact C-N 3.34Å; G362-M364 PolarHBondContact O-N 3.46Å; G362-R365 WeakPolarHBondContact O-CB 3.28Å; G362-R365 PolarHBondContact O-N 3.39Å
363	L	91.4	Very high	86.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.7	-48.9	175.2	176.7	71.7	0	0	0	111.9	A71 A72 L75 L346 Q359 F360 R365 F366 Y367 F396 F399	A71-L363 HydrophobicContact CB-CD1 3.74Å; A72-L363 HydrophobicContact CB-CD1 4.01Å; L75-L363 HydrophobicContact CD1-CD1 3.96Å; L75-L363 HydrophobicContact CD1-CD2 3.79Å; L75-L363 HydrophobicContact CD1-CG 4.33Å; L346-L363 HydrophobicContact CD1-CB 4.46Å; L346-L363 HydrophobicContact CD1-CD1 4.28Å; L346-L363 HydrophobicContact CD1-CD2 3.81Å; L346-L363 HydrophobicContact CD1-CG 4.4Å; L346-L363 HydrophobicContact CD2-CB 4.1Å; L346-L363 HydrophobicContact CD2-CD1 4.45Å; Q359-L363 PolarHBondContact O-N 3.02Å; F360-L363 WeakPolarHBondContact O-CB 3.19Å; F360-L363 PolarHBondContact O-N 3.35Å; L363-R365 PolarHBondContact O-N 3.33Å; L363-F366 PolarHBondContact O-N 3.42Å; L363-F366 VanDerWaalsContact O-N 3.09Å; L363-Y367 PolarHBondContact O-N 3.15Å; L363-F396 HydrophobicContact CD2-CZ 4.21Å; L363-F399 HydrophobicContact CD2-CE2 3.95Å; L363-F399 HydrophobicContact CD2-CZ 4.31Å
364	M	90.7	Very high	87.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-25.8	-174.5	-72.9	-66.9	135	0	0	113.4	F360 D361 G362 F366 R368 M371 R376 F399 I403	F360-M364 HydrophobicContact CD1-CG 3.98Å; F360-M364 HydrophobicContact CD2-CE 4.42Å; F360-M364 HydrophobicContact CE1-CE 4.24Å; F360-M364 HydrophobicContact CE1-CG 3.63Å; F360-M364 HydrophobicContact CE1-SD 4.34Å; F360-M364 HydrophobicContact CE2-CE 3.68Å; F360-M364 HydrophobicContact CZ-CE 3.58Å; F360-M364 HydrophobicContact CZ-CG 3.96Å; F360-M364 HydrophobicContact CZ-SD 4.14Å; F360-M364 VanDerWaalsContact O-CG 3.25Å; F360-M364 WeakPolarHBondContact O-CG 3.35Å; F360-M364 PolarHBondContact O-N 3.39Å; D361-M364 PolarHBondContact O-N 3.28Å; G362-M364 VanDerWaalsContact C-N 3.34Å; G362-M364 PolarHBondContact O-N 3.46Å; M364-F366 VanDerWaalsContact C-N 3.27Å; M364-F366 PolarHBondContact O-N 2.93Å; M364-R368 CarbonylContact O-C 3.56Å; M364-R368 PolarHBondContact O-N 3.33Å; M364-R368 VanDerWaalsContact O-O 3.12Å; M364-M371 HydrophobicContact SD-SD 4.4Å; M364-R376 VanDerWaalsContact CB-CD 3.41Å; M364-R376 HydrophobicContact CB-CG 3.82Å; M364-R376 HydrophobicContact CG-CG 4.22Å; M364-F399 HydrophobicContact CE-CD2 4.41Å; M364-F399 HydrophobicContact CE-CE2 3.2Å; M364-F399 HydrophobicContact CE-CZ 3.4Å; M364-F399 VanDerWaalsContact CE-CZ 3.4Å; M364-I403 HydrophobicContact CE-CD1 3.86Å; M364-I403 HydrophobicContact SD-CD1 3.49Å; M364-I403 WeakPolarHBondContact SD-CD1 3.36Å
365	R	88.4	Confident	88.1	Confident	87 Å²	87	46.9 Å²	46.9	33%	0.328	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-33.7	175.3	-68.2	166.8	-168.4	-159.8	-1.4	112.3	D361 G362 L363 P369 R376 S732	D361-R365 WeakPolarHBondContact O-CG 3.37Å; D361-R365 PolarHBondContact O-N 3.09Å; D361-R365 IonicContact OD2-CZ 2.99Å; D361-R365 IonicContact OD2-NE 3.73Å; D361-R365 PolarHBondContact OD2-NE 2.98Å; D361-R365 IonicContact OD2-NH2 2.7Å; D361-R365 PolarHBondContact OD2-NH2 3.47Å; G362-R365 WeakPolarHBondContact O-CB 3.28Å; G362-R365 PolarHBondContact O-N 3.39Å; L363-R365 PolarHBondContact O-N 3.33Å; R365-P369 VanDerWaalsContact O-CA 3.32Å; R365-P369 WeakPolarHBondContact O-CA 3.47Å; R365-P369 WeakPolarHBondContact O-CB 3.4Å; R365-R376 VanDerWaalsContact CG-NH1 3.33Å; R365-S732 VanDerWaalsContact NH2-CB 3.34Å; R365-S732 PolarHBondContact NH2-OG 3.17Å; R365-S732 VanDerWaalsContact NH2-OG 3.09Å
366	F	89.4	Confident	88.2	Confident	72 Å²	72	47.8 Å²	47.8	32%	0.316	22%	0.217	S	C	.	.	H	α-helix	trans	-92.8	-42.6	179.2	-66.6	-77	0	0	0	112.1	Q69 A72 L363 M364	Q69-F366 HydrophobicContact CB-CD1 4.08Å; Q69-F366 HydrophobicContact CB-CD2 4.34Å; Q69-F366 HydrophobicContact CB-CE1 4.18Å; Q69-F366 HydrophobicContact CB-CE2 4.42Å; Q69-F366 HydrophobicContact CB-CG 4.16Å; Q69-F366 HydrophobicContact CB-CZ 4.34Å; Q69-F366 HydrophobicContact CG-CD1 4.15Å; Q69-F366 HydrophobicContact CG-CE1 4.41Å; A72-F366 HydrophobicContact CB-CB 3.68Å; L363-F366 PolarHBondContact O-N 3.42Å; L363-F366 VanDerWaalsContact O-N 3.09Å; M364-F366 VanDerWaalsContact C-N 3.27Å; M364-F366 PolarHBondContact O-N 2.93Å
367	Y	90	Very high	88.3	Confident	16 Å²	16	47.2 Å²	47.2	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-42.1	-179.1	-174.9	-100.8	0	0	0	112.4	L75 Q76 E79 L363 F399 I403	L75-Y367 HydrophobicContact CB-CD2 3.93Å; L75-Y367 HydrophobicContact CB-CE2 3.78Å; Q76-Y367 HydrophobicContact CG-CD2 3.86Å; Q76-Y367 HydrophobicContact CG-CE2 3.82Å; E79-Y367 PolarHBondContact OE2-OH 3.01Å; L363-Y367 PolarHBondContact O-N 3.15Å; Y367-F399 HydrophobicContact CD1-CE1 4.31Å; Y367-F399 AromaticContact CD1-CZ 4Å; Y367-F399 HydrophobicContact CD1-CZ 4Å; Y367-F399 AromaticContact CE1-CE1 3.87Å; Y367-F399 HydrophobicContact CE1-CE1 3.87Å; Y367-F399 HydrophobicContact CE1-CZ 4.01Å; Y367-F399 HydrophobicContact CG-CZ 4.48Å; Y367-F399 AromaticContact CZ-CE1 3.99Å; Y367-I403 HydrophobicContact CD1-CG1 4.13Å; Y367-I403 HydrophobicContact CE1-CG1 3.68Å; Y367-I403 HydrophobicContact CE1-CG2 4.45Å
368	R	88.4	Confident	88.5	Confident	107 Å²	107	46.2 Å²	46.2	40%	0.404	21%	0.205	S	C	.	.			trans	-138.2	81.5	175.1	-76.4	-155.7	174.1	-174.4	1.9	112.7	M364 R370 M371 I403	M364-R368 CarbonylContact O-C 3.56Å; M364-R368 PolarHBondContact O-N 3.33Å; M364-R368 VanDerWaalsContact O-O 3.12Å; R368-R370 VanDerWaalsContact C-N 3.26Å; R368-R370 PolarHBondContact O-N 3.21Å; R368-R370 VanDerWaalsContact O-N 3.12Å; R368-M371 HydrophobicContact CB-CB 4.27Å; R368-M371 HydrophobicContact CB-SD 4.48Å; R368-M371 VanDerWaalsContact O-CB 3.28Å; R368-M371 WeakPolarHBondContact O-CB 3.3Å; R368-M371 PolarHBondContact O-N 3.43Å; R368-M371 VanDerWaalsContact O-N 3.14Å; R368-I403 PolarHBondContact NH1-O 2.93Å
369	P	85.5	Confident	88.7	Confident	102 Å²	102	41 Å²	41	66%	0.662	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.1	-172.3	23.5	-34.2	0	0	0	114.7	R365 M371	R365-P369 VanDerWaalsContact O-CA 3.32Å; R365-P369 WeakPolarHBondContact O-CA 3.47Å; R365-P369 WeakPolarHBondContact O-CB 3.4Å; P369-M371 VanDerWaalsContact C-N 3.28Å; P369-M371 PolarHBondContact O-N 3.41Å
370	R	86.1	Confident	88.8	Confident	251 Å²	251	41.1 Å²	41.1	95%	0.947	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.6	-179.1	-66.7	-175.8	176.6	172.8	-0.6	113.9	R368	R368-R370 VanDerWaalsContact C-N 3.26Å; R368-R370 PolarHBondContact O-N 3.21Å; R368-R370 VanDerWaalsContact O-N 3.12Å
371	M	86.4	Confident	88.8	Confident	32 Å²	32	43.6 Å²	43.6	16%	0.158	19%	0.194	C	C	.	.			trans	-81.2	133.9	-175	-164.8	171.6	-179.6	0	0	111.8	M364 R368 P369 D375 R376 T379 I403	M364-M371 HydrophobicContact SD-SD 4.4Å; R368-M371 HydrophobicContact CB-CB 4.27Å; R368-M371 HydrophobicContact CB-SD 4.48Å; R368-M371 VanDerWaalsContact O-CB 3.28Å; R368-M371 WeakPolarHBondContact O-CB 3.3Å; R368-M371 PolarHBondContact O-N 3.43Å; R368-M371 VanDerWaalsContact O-N 3.14Å; P369-M371 VanDerWaalsContact C-N 3.28Å; P369-M371 PolarHBondContact O-N 3.41Å; M371-D375 VanDerWaalsContact CE-C 3.5Å; M371-D375 HydrophobicContact CE-CB 3.8Å; M371-D375 WeakPolarHBondContact CE-O 3.44Å; M371-D375 HydrophobicContact CG-CB 3.95Å; M371-R376 HydrophobicContact CB-CG 4.24Å; M371-R376 HydrophobicContact CE-CG 4.4Å; M371-R376 HydrophobicContact CG-CG 3.9Å; M371-R376 HydrophobicContact SD-CG 3.86Å; M371-T379 HydrophobicContact CE-CG2 3.39Å; M371-I403 HydrophobicContact CE-CD1 4.43Å; M371-I403 HydrophobicContact SD-CD1 4.23Å
372	S	87.5	Confident	88.9	Confident	35 Å²	35	43.9 Å²	43.9	25%	0.245	20%	0.197	C	C	.	.			trans	-69.9	155.9	179.5	77.7	0	0	0	0	111.8	R374 D375 R376	S372-R374 VanDerWaalsContact C-N 3.31Å; S372-R374 PolarHBondContact O-N 3.12Å; S372-D375 PolarHBondContact O-N 3.39Å; S372-D375 WeakPolarHBondContact OG-CB 3.46Å; S372-D375 PolarHBondContact OG-N 3.05Å; S372-D375 PolarHBondContact OG-OD1 3.35Å; S372-D375 PolarHBondContact OG-OD2 2.94Å; S372-R376 WeakPolarHBondContact O-CG 3.46Å; S372-R376 PolarHBondContact O-N 3.33Å
373	A	85.9	Confident	88.9	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-37.7	178.4	0	0	0	0	0	112.4	R376 F377 Y728 L741	A373-R376 PolarHBondContact O-N 3.05Å; A373-F377 PolarHBondContact O-N 2.95Å; A373-Y728 HydrophobicContact CB-CD1 4.3Å; A373-Y728 HydrophobicContact CB-CE1 3.65Å; A373-L741 HydrophobicContact CB-CD1 3.69Å; A373-L741 HydrophobicContact CB-CG 4.39Å
374	R	88.1	Confident	88.8	Confident	64 Å²	64	45.3 Å²	45.3	24%	0.242	20%	0.204	C	C	.	.	H	α-helix	trans	-54.8	-51.7	169.8	178.9	-162.8	69.6	-160.2	-1.5	111.3	S372 R376 F377 L378 V744	S372-R374 VanDerWaalsContact C-N 3.31Å; S372-R374 PolarHBondContact O-N 3.12Å; R374-R376 VanDerWaalsContact C-N 3.32Å; R374-R376 PolarHBondContact O-N 3.4Å; R374-F377 PolarHBondContact O-N 3.02Å; R374-L378 HydrophobicContact CG-CD1 4.02Å; R374-L378 HydrophobicContact CG-CG 4.49Å; R374-L378 WeakPolarHBondContact O-CG 3.48Å; R374-L378 PolarHBondContact O-N 2.95Å; R374-V744 HydrophobicContact CB-CG2 4.44Å; R374-V744 HydrophobicContact CG-CG2 3.82Å
375	D	88.6	Confident	88.5	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-36.8	-175.5	-58.8	-25.9	0	0	0	111.1	M371 S372 F377 L378 T379	M371-D375 VanDerWaalsContact CE-C 3.5Å; M371-D375 HydrophobicContact CE-CB 3.8Å; M371-D375 WeakPolarHBondContact CE-O 3.44Å; M371-D375 HydrophobicContact CG-CB 3.95Å; S372-D375 PolarHBondContact O-N 3.39Å; S372-D375 WeakPolarHBondContact OG-CB 3.46Å; S372-D375 PolarHBondContact OG-N 3.05Å; S372-D375 PolarHBondContact OG-OD1 3.35Å; S372-D375 PolarHBondContact OG-OD2 2.94Å; D375-F377 VanDerWaalsContact C-N 3.34Å; D375-L378 PolarHBondContact O-N 3.18Å; D375-T379 PolarHBondContact O-N 3.09Å; D375-T379 PolarHBondContact O-OG1 3.41Å; D375-T379 VanDerWaalsContact O-OG1 3.1Å
376	R	90.1	Very high	88.1	Confident	19 Å²	19	49.1 Å²	49.1	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-44	174.6	-74.2	-176.3	-76.5	156.8	8.2	111.6	D361 M364 R365 M371 S372 A373 R374 T379 F380	D361-R376 WeakPolarHBondContact OD1-CD 3.28Å; D361-R376 IonicContact OD1-CZ 2.65Å; D361-R376 IonicContact OD1-NE 3.42Å; D361-R376 PolarHBondContact OD1-NE 3.11Å; D361-R376 IonicContact OD1-NH1 3Å; D361-R376 PolarHBondContact OD1-NH1 3.02Å; D361-R376 IonicContact OD1-NH2 3.7Å; D361-R376 IonicContact OD2-CZ 2.68Å; D361-R376 IonicContact OD2-NH1 3.88Å; D361-R376 PolarHBondContact OD2-NH1 2.9Å; M364-R376 VanDerWaalsContact CB-CD 3.41Å; M364-R376 HydrophobicContact CB-CG 3.82Å; M364-R376 HydrophobicContact CG-CG 4.22Å; R365-R376 VanDerWaalsContact CG-NH1 3.33Å; M371-R376 HydrophobicContact CB-CG 4.24Å; M371-R376 HydrophobicContact CE-CG 4.4Å; M371-R376 HydrophobicContact CG-CG 3.9Å; M371-R376 HydrophobicContact SD-CG 3.86Å; S372-R376 WeakPolarHBondContact O-CG 3.46Å; S372-R376 PolarHBondContact O-N 3.33Å; A373-R376 PolarHBondContact O-N 3.05Å; R374-R376 VanDerWaalsContact C-N 3.32Å; R374-R376 PolarHBondContact O-N 3.4Å; R376-T379 WeakPolarHBondContact CA-OG1 3.27Å; R376-T379 PolarHBondContact O-N 2.93Å; R376-T379 PolarHBondContact O-OG1 3.07Å; R376-F380 PolarHBondContact O-N 3.07Å
377	F	89.3	Confident	87.6	Confident	17 Å²	17	48.7 Å²	48.7	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-45	174.1	171	-112.3	0	0	0	112.3	L357 A373 R374 D375 T379 F380 K381 V716 E720 T724	L357-F377 HydrophobicContact CD1-CD2 4.41Å; L357-F377 HydrophobicContact CD2-CD2 4.33Å; A373-F377 PolarHBondContact O-N 2.95Å; R374-F377 PolarHBondContact O-N 3.02Å; D375-F377 VanDerWaalsContact C-N 3.34Å; F377-T379 VanDerWaalsContact C-N 3.34Å; F377-T379 PolarHBondContact O-N 3.06Å; F377-F380 WeakPolarHBondContact O-CB 3.45Å; F377-F380 PolarHBondContact O-N 3.43Å; F377-K381 PolarHBondContact O-N 3.48Å; F377-V716 HydrophobicContact CE1-CG1 3.86Å; F377-V716 HydrophobicContact CE1-CG2 4.05Å; F377-E720 HydrophobicContact CZ-CB 4.27Å; F377-T724 HydrophobicContact CD2-CG2 3.62Å; F377-T724 HydrophobicContact CE2-CG2 3.55Å; F377-T724 HydrophobicContact CG-CG2 4.39Å; F377-T724 HydrophobicContact CZ-CG2 4.28Å
378	L	90.2	Very high	87.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-40.8	177.4	-69.2	172.1	0	0	0	112	R374 D375 K381 A382 W407 V714 V716 Y758	R374-L378 HydrophobicContact CG-CD1 4.02Å; R374-L378 HydrophobicContact CG-CG 4.49Å; R374-L378 WeakPolarHBondContact O-CG 3.48Å; R374-L378 PolarHBondContact O-N 2.95Å; D375-L378 PolarHBondContact O-N 3.18Å; L378-K381 PolarHBondContact O-N 2.99Å; L378-A382 WeakPolarHBondContact O-CB 3.32Å; L378-A382 PolarHBondContact O-N 3.39Å; L378-W407 HydrophobicContact CB-CD2 3.59Å; L378-W407 HydrophobicContact CB-CE3 4.03Å; L378-W407 HydrophobicContact CB-CG 3.92Å; L378-W407 HydrophobicContact CB-CZ2 4.09Å; L378-W407 HydrophobicContact CB-CZ3 4.46Å; L378-W407 HydrophobicContact CD1-CB 3.63Å; L378-W407 HydrophobicContact CD1-CD2 3.83Å; L378-W407 HydrophobicContact CD1-CE3 4.03Å; L378-W407 HydrophobicContact CD1-CG 3.65Å; L378-W407 HydrophobicContact CG-CD2 4.29Å; L378-W407 HydrophobicContact CG-CE3 4.47Å; L378-W407 HydrophobicContact CG-CG 4.44Å; L378-V714 HydrophobicContact CD2-CB 4.46Å; L378-V714 HydrophobicContact CD2-CG1 4.05Å; L378-V716 HydrophobicContact CD2-CG2 3.45Å; L378-V716 VanDerWaalsContact CD2-CG2 3.45Å; L378-Y758 HydrophobicContact CD1-CD1 3.66Å; L378-Y758 HydrophobicContact CD1-CD2 4.34Å; L378-Y758 HydrophobicContact CD1-CE1 4.23Å; L378-Y758 HydrophobicContact CD1-CG 3.73Å; L378-Y758 HydrophobicContact CD2-CD2 3.96Å; L378-Y758 HydrophobicContact CD2-CG 3.95Å
379	T	91	Very high	86.9	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-37.8	174.8	46	0	0	0	0	113.3	M371 D375 R376 F377 K381 A382 L383 V402 W407	M371-T379 HydrophobicContact CE-CG2 3.39Å; D375-T379 PolarHBondContact O-N 3.09Å; D375-T379 PolarHBondContact O-OG1 3.41Å; D375-T379 VanDerWaalsContact O-OG1 3.1Å; R376-T379 WeakPolarHBondContact CA-OG1 3.27Å; R376-T379 PolarHBondContact O-N 2.93Å; R376-T379 PolarHBondContact O-OG1 3.07Å; F377-T379 VanDerWaalsContact C-N 3.34Å; F377-T379 PolarHBondContact O-N 3.06Å; T379-K381 VanDerWaalsContact C-N 3.34Å; T379-A382 PolarHBondContact O-N 3.1Å; T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 3.38Å; T379-V402 HydrophobicContact CG2-CG1 4.41Å; T379-W407 HydrophobicContact CG2-CZ2 4.33Å; T379-W407 VanDerWaalsContact CG2-NE1 3.27Å
380	F	91	Very high	86.9	Confident	15 Å²	15	46.8 Å²	46.8	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-45.4	174.5	178.3	-91.3	0	0	0	110.7	L357 F360 R376 F377 A382 L383 N384 L391	L357-F380 HydrophobicContact CB-CE1 4.28Å; L357-F380 HydrophobicContact CB-CE2 4.23Å; L357-F380 HydrophobicContact CB-CZ 4.11Å; L357-F380 HydrophobicContact CD1-CB 3.76Å; L357-F380 HydrophobicContact CD1-CD1 3.75Å; L357-F380 HydrophobicContact CD1-CD2 3.88Å; L357-F380 HydrophobicContact CD1-CE1 4.3Å; L357-F380 HydrophobicContact CD1-CE2 4.41Å; L357-F380 HydrophobicContact CD1-CG 3.51Å; F360-F380 HydrophobicContact CB-CD2 3.82Å; F360-F380 HydrophobicContact CB-CE2 4.24Å; F360-F380 HydrophobicContact CD1-CB 3.85Å; F360-F380 AromaticContact CD1-CD2 3.87Å; F360-F380 HydrophobicContact CD1-CD2 3.87Å; F360-F380 HydrophobicContact CD1-CG 4.34Å; F360-F380 HydrophobicContact CD2-CD2 4.3Å; F360-F380 HydrophobicContact CE1-CB 3.85Å; F360-F380 AromaticContact CG-CD2 3.74Å; F360-F380 HydrophobicContact CG-CD2 3.74Å; R376-F380 PolarHBondContact O-N 3.07Å; F377-F380 WeakPolarHBondContact O-CB 3.45Å; F377-F380 PolarHBondContact O-N 3.43Å; F380-A382 VanDerWaalsContact C-N 3.35Å; F380-A382 PolarHBondContact O-N 3.03Å; F380-L383 PolarHBondContact O-N 2.99Å; F380-N384 PolarHBondContact O-N 2.87Å; F380-N384 VanDerWaalsContact O-N 3.13Å; F380-L391 HydrophobicContact CD2-CD1 3.55Å; F380-L391 HydrophobicContact CD2-CG 3.99Å; F380-L391 HydrophobicContact CE2-CD1 3.53Å; F380-L391 HydrophobicContact CE2-CD2 4.31Å; F380-L391 HydrophobicContact CE2-CG 3.52Å; F380-L391 HydrophobicContact CZ-CD1 4.46Å; F380-L391 HydrophobicContact CZ-CG 4Å
381	K	89.9	Confident	87.1	Confident	55 Å²	55	34.8 Å²	34.8	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-36.9	178	-170.2	165.4	-173.6	172.5	0	112.5	F377 L378 T379 L383 N384 V714 E715 E720	F377-K381 PolarHBondContact O-N 3.48Å; L378-K381 PolarHBondContact O-N 2.99Å; T379-K381 VanDerWaalsContact C-N 3.34Å; K381-L383 VanDerWaalsContact C-N 3.34Å; K381-N384 PolarHBondContact O-N 3.08Å; K381-V714 HydrophobicContact CB-CG1 4.06Å; K381-V714 HydrophobicContact CD-CG1 3.64Å; K381-V714 HydrophobicContact CG-CG1 3.78Å; K381-E715 VanDerWaalsContact CE-O 3.22Å; K381-E715 WeakPolarHBondContact CE-O 3.44Å; K381-E715 PolarHBondContact NZ-O 3.34Å; K381-E720 VanDerWaalsContact NZ-CD 3.31Å; K381-E720 IonicContact NZ-OE1 2.77Å; K381-E720 PolarHBondContact NZ-OE1 3.21Å; K381-E720 IonicContact NZ-OE2 2.77Å; K381-E720 PolarHBondContact NZ-OE2 3.07Å
382	A	89.9	Confident	87.3	Confident	12 Å²	12	35.2 Å²	35.2	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-30.1	176.8	0	0	0	0	0	113.6	L378 T379 F380 V402 W407 V714	L378-A382 WeakPolarHBondContact O-CB 3.32Å; L378-A382 PolarHBondContact O-N 3.39Å; T379-A382 PolarHBondContact O-N 3.1Å; F380-A382 VanDerWaalsContact C-N 3.35Å; F380-A382 PolarHBondContact O-N 3.03Å; A382-V402 HydrophobicContact CB-CG1 3.58Å; A382-W407 HydrophobicContact CB-CH2 3.65Å; A382-W407 HydrophobicContact CB-CZ2 3.68Å; A382-V714 HydrophobicContact CB-CG2 4Å
383	L	90	Very high	87.4	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-72.8	-32.8	171.5	-75.9	165.2	0	0	0	111.9	F360 T379 F380 K381 T385 L391 D395 R398 F399 V402	F360-L383 HydrophobicContact CE2-CD1 3.6Å; F360-L383 HydrophobicContact CZ-CD1 3.87Å; T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 3.38Å; F380-L383 PolarHBondContact O-N 2.99Å; K381-L383 VanDerWaalsContact C-N 3.34Å; L383-T385 PolarHBondContact O-N 3.31Å; L383-L391 HydrophobicContact CB-CD1 4.29Å; L383-L391 HydrophobicContact CB-CD2 3.85Å; L383-L391 HydrophobicContact CD1-CD1 4.28Å; L383-D395 WeakPolarHBondContact O-CB 3.42Å; L383-R398 HydrophobicContact CD2-CB 4.12Å; L383-F399 HydrophobicContact CD1-CD2 4.48Å; L383-V402 HydrophobicContact CD2-CB 3.84Å; L383-V402 HydrophobicContact CD2-CG1 4.36Å; L383-V402 HydrophobicContact CD2-CG2 3.74Å; L383-V402 HydrophobicContact CG-CB 4.05Å; L383-V402 HydrophobicContact CG-CG1 4.02Å; L383-V402 HydrophobicContact CG-CG2 4.22Å
384	N	88.9	Confident	87.6	Confident	31 Å²	31	42.6 Å²	42.6	17%	0.166	25%	0.254	C	S	.	.			trans	-78.2	81.5	-175.1	-172.1	11.5	0	0	0	112.5	F380 K381 S386 G387 A388 L391	F380-N384 PolarHBondContact O-N 2.87Å; F380-N384 VanDerWaalsContact O-N 3.13Å; K381-N384 PolarHBondContact O-N 3.08Å; N384-S386 VanDerWaalsContact C-N 3.33Å; N384-S386 PolarHBondContact OD1-OG 3.48Å; N384-S386 VanDerWaalsContact OD1-OG 3.14Å; N384-G387 PolarHBondContact OD1-N 3.41Å; N384-A388 PolarHBondContact ND2-O 3.44Å; N384-A388 PolarHBondContact OD1-N 3.02Å; N384-L391 HydrophobicContact CB-CD2 3.72Å
385	T	83.4	Confident	87.7	Confident	93 Å²	93	40.1 Å²	40.1	57%	0.571	25%	0.246	S	C	*	.	S	Bend	trans	-73.2	-26	174.1	10.8	0	0	0	0	113.3	L383 D395	L383-T385 PolarHBondContact O-N 3.31Å; T385-D395 PolarHBondContact OG1-OD1 3.03Å
386	S	80.4	Confident	87.8	Confident	74 Å²	74	38.7 Å²	38.7	52%	0.517	24%	0.238	S	C	.	.	S	Bend	trans	-80.8	-15	-177.4	56.7	0	0	0	0	114.2	N384 A388 D395	N384-S386 VanDerWaalsContact C-N 3.33Å; N384-S386 PolarHBondContact OD1-OG 3.48Å; N384-S386 VanDerWaalsContact OD1-OG 3.14Å; S386-A388 PolarHBondContact O-N 2.72Å; S386-D395 PolarHBondContact OG-OD2 2.93Å; S386-D395 VanDerWaalsContact OG-OD2 3.05Å
387	G	78.4	Confident	87.9	Confident	63 Å²	63	40.1 Å²	40.1	65%	0.649	24%	0.244	S	C	*	.			trans	71.3	7.3	-176.1	0	0	0	0	0	114	N384	N384-G387 PolarHBondContact OD1-N 3.41Å
388	A	81.9	Confident	87.9	Confident	34 Å²	34	42.7 Å²	42.7	28%	0.281	25%	0.253	S	S	.	.			trans	-75	156.2	-179.6	0	0	0	0	0	111.7	N384 S386 T390	N384-A388 PolarHBondContact ND2-O 3.44Å; N384-A388 PolarHBondContact OD1-N 3.02Å; S386-A388 PolarHBondContact O-N 2.72Å; A388-T390 PolarHBondContact O-N 3.18Å; A388-T390 VanDerWaalsContact O-N 3.12Å
389	P	82.1	Confident	88	Confident	117 Å²	117	42.7 Å²	42.7	76%	0.76	25%	0.253	S	S	*	.	S	Bend	trans	-68.6	-7.7	176.7	28	-35.1	0	0	0	113.9
390	T	86.3	Confident	88	Confident	34 Å²	34	44.6 Å²	44.6	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.6	-178.6	51.5	0	0	0	0	110.5	V355 A388	V355-T390 WeakPolarHBondContact O-CA 3.38Å; A388-T390 PolarHBondContact O-N 3.18Å; A388-T390 VanDerWaalsContact O-N 3.12Å
391	L	89.1	Confident	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.3	175.7	-65.1	172.5	0	0	0	110.9	G354 V355 F360 F380 L383 N384 D395 F396	G354-L391 CarbonylContact C-O 3.51Å; G354-L391 WeakPolarHBondContact CA-O 3.34Å; V355-L391 HydrophobicContact CB-CB 4.41Å; V355-L391 PolarHBondContact N-O 2.65Å; V355-L391 PolarHBondContact O-N 2.93Å; F360-L391 HydrophobicContact CD2-CD1 4.09Å; F360-L391 HydrophobicContact CE2-CD1 4.45Å; F380-L391 HydrophobicContact CD2-CD1 3.55Å; F380-L391 HydrophobicContact CD2-CG 3.99Å; F380-L391 HydrophobicContact CE2-CD1 3.53Å; F380-L391 HydrophobicContact CE2-CD2 4.31Å; F380-L391 HydrophobicContact CE2-CG 3.52Å; F380-L391 HydrophobicContact CZ-CD1 4.46Å; F380-L391 HydrophobicContact CZ-CG 4Å; L383-L391 HydrophobicContact CB-CD1 4.29Å; L383-L391 HydrophobicContact CB-CD2 3.85Å; L383-L391 HydrophobicContact CD1-CD1 4.28Å; N384-L391 HydrophobicContact CB-CD2 3.72Å; L391-D395 HydrophobicContact CD2-CB 4.32Å; L391-F396 HydrophobicContact CD1-CD2 4.4Å
392	S	91.1	Very high	87.8	Confident	40 Å²	40	43.8 Å²	43.8	28%	0.28	26%	0.258	S	S	.	.			trans	-75.7	164.5	169.9	70	0	0	0	0	111.4	Q394 D395 F396	S392-Q394 VanDerWaalsContact C-N 3.26Å; S392-Q394 PolarHBondContact O-N 3.27Å; S392-D395 PolarHBondContact O-N 3.25Å; S392-D395 PolarHBondContact OG-N 3.43Å; S392-D395 VanDerWaalsContact OG-N 3.14Å; S392-D395 PolarHBondContact OG-OD2 3.27Å; S392-F396 WeakPolarHBondContact O-CB 3.45Å; S392-F396 PolarHBondContact O-N 3.35Å
393	L	90	Very high	87.7	Confident	58 Å²	58	43.7 Å²	43.7	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-38.5	173.9	-178.2	63.1	0	0	0	111.5	F343 D395 F396 Y397	F343-L393 HydrophobicContact CB-CD1 3.86Å; F343-L393 HydrophobicContact CD1-CB 4.4Å; F343-L393 HydrophobicContact CD1-CD1 3.86Å; F343-L393 HydrophobicContact CD2-CD1 4.05Å; F343-L393 HydrophobicContact CE1-CB 4.09Å; F343-L393 HydrophobicContact CE1-CD1 4.4Å; F343-L393 HydrophobicContact CE2-CB 4.29Å; F343-L393 HydrophobicContact CG-CD1 3.66Å; F343-L393 HydrophobicContact CZ-CB 4.04Å; L393-D395 PolarHBondContact O-N 3.18Å; L393-F396 CarbonylContact O-C 3.14Å; L393-F396 PolarHBondContact O-N 3.41Å; L393-F396 VanDerWaalsContact O-N 3.11Å; L393-Y397 HydrophobicContact CD1-CE1 4.13Å; L393-Y397 HydrophobicContact CD2-CE2 4.32Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.42Å; L393-Y397 HydrophobicContact CG-CE1 4.32Å; L393-Y397 HydrophobicContact CG-CE2 3.88Å; L393-Y397 WeakPolarHBondContact O-CD2 3.35Å; L393-Y397 PolarHBondContact O-N 3.2Å
394	Q	89.4	Confident	87.4	Confident	135 Å²	135	44.9 Å²	44.9	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-41.2	178.5	-169.6	67	7.3	0	0	112.3	S392 F396	S392-Q394 VanDerWaalsContact C-N 3.26Å; S392-Q394 PolarHBondContact O-N 3.27Å; Q394-F396 VanDerWaalsContact C-N 3.3Å
395	D	90.5	Very high	87.3	Confident	11 Å²	11	43.8 Å²	43.8	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-38.4	172.7	-67.5	-45.2	0	0	0	110.6	L383 T385 S386 L391 S392 L393 Y397 R398	L383-D395 WeakPolarHBondContact O-CB 3.42Å; T385-D395 PolarHBondContact OG1-OD1 3.03Å; S386-D395 PolarHBondContact OG-OD2 2.93Å; S386-D395 VanDerWaalsContact OG-OD2 3.05Å; L391-D395 HydrophobicContact CD2-CB 4.32Å; S392-D395 PolarHBondContact O-N 3.25Å; S392-D395 PolarHBondContact OG-N 3.43Å; S392-D395 VanDerWaalsContact OG-N 3.14Å; S392-D395 PolarHBondContact OG-OD2 3.27Å; L393-D395 PolarHBondContact O-N 3.18Å; D395-Y397 PolarHBondContact O-N 3.43Å; D395-R398 PolarHBondContact O-N 3.11Å
396	F	91.4	Very high	87.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72.6	-22.9	-177.7	-158.6	-115.8	0	0	0	113.4	I339 F343 L346 F360 L363 L391 S392 L393 Q394 R398 F399	I339-F396 HydrophobicContact CG2-CD1 3.38Å; I339-F396 HydrophobicContact CG2-CE1 3.86Å; I339-F396 HydrophobicContact CG2-CG 4.32Å; F343-F396 HydrophobicContact CB-CD1 4.06Å; F343-F396 HydrophobicContact CB-CE1 4.34Å; F343-F396 HydrophobicContact CD2-CB 4.03Å; F343-F396 AromaticContact CD2-CD1 3.8Å; F343-F396 HydrophobicContact CD2-CD1 3.8Å; F343-F396 HydrophobicContact CD2-CG 4.01Å; F343-F396 HydrophobicContact CE2-CB 4.35Å; F343-F396 HydrophobicContact CG-CD1 4.41Å; L346-F396 HydrophobicContact CD1-CZ 4.12Å; F360-F396 HydrophobicContact CD2-CE2 4.39Å; F360-F396 HydrophobicContact CE2-CE2 4.43Å; L363-F396 HydrophobicContact CD2-CZ 4.21Å; L391-F396 HydrophobicContact CD1-CD2 4.4Å; S392-F396 WeakPolarHBondContact O-CB 3.45Å; S392-F396 PolarHBondContact O-N 3.35Å; L393-F396 CarbonylContact O-C 3.14Å; L393-F396 PolarHBondContact O-N 3.41Å; L393-F396 VanDerWaalsContact O-N 3.11Å; Q394-F396 VanDerWaalsContact C-N 3.3Å; F396-R398 PolarHBondContact O-N 3.3Å; F396-R398 VanDerWaalsContact O-N 3.12Å; F396-F399 HydrophobicContact CD2-CD2 4.25Å; F396-F399 AromaticContact CE2-CD2 3.56Å; F396-F399 HydrophobicContact CE2-CD2 3.56Å; F396-F399 HydrophobicContact CE2-CE2 4.06Å; F396-F399 HydrophobicContact CE2-CG 4.46Å; F396-F399 AromaticContact CZ-CD2 3.75Å; F396-F399 HydrophobicContact CZ-CD2 3.75Å; F396-F399 HydrophobicContact CZ-CE2 4.1Å; F396-F399 HydrophobicContact CZ-CG 4.43Å; F396-F399 WeakPolarHBondContact O-CB 3.34Å; F396-F399 PolarHBondContact O-N 3.4Å
397	Y	91.8	Very high	87.7	Confident	49 Å²	49	44.3 Å²	44.3	19%	0.192	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.4	172.8	-74.2	-45	0	0	0	114	R336 I339 D340 L393 D395 F399	R336-Y397 HydrophobicContact CG-CD1 3.87Å; R336-Y397 HydrophobicContact CG-CE1 3.46Å; R336-Y397 VanDerWaalsContact CG-CE1 3.46Å; I339-Y397 HydrophobicContact CB-CD1 4.27Å; I339-Y397 HydrophobicContact CB-CE1 4.48Å; I339-Y397 HydrophobicContact CD1-CD1 4.33Å; I339-Y397 HydrophobicContact CG2-CD1 3.78Å; I339-Y397 HydrophobicContact CG2-CE1 4.11Å; D340-Y397 WeakPolarHBondContact OD1-CE1 3.3Å; D340-Y397 VanDerWaalsContact OD1-CZ 3.29Å; D340-Y397 PolarHBondContact OD1-OH 3.03Å; L393-Y397 HydrophobicContact CD1-CE1 4.13Å; L393-Y397 HydrophobicContact CD2-CE2 4.32Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.42Å; L393-Y397 HydrophobicContact CG-CE1 4.32Å; L393-Y397 HydrophobicContact CG-CE2 3.88Å; L393-Y397 WeakPolarHBondContact O-CD2 3.35Å; L393-Y397 PolarHBondContact O-N 3.2Å; D395-Y397 PolarHBondContact O-N 3.43Å; Y397-F399 PolarHBondContact O-N 3.35Å
398	R	89.6	Confident	88	Confident	72 Å²	72	48.5 Å²	48.5	27%	0.272	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.1	176.1	-59.3	177.5	66.7	-165	3.4	113.3	L383 D395 F396 Y400 E401 V402	L383-R398 HydrophobicContact CD2-CB 4.12Å; D395-R398 PolarHBondContact O-N 3.11Å; F396-R398 PolarHBondContact O-N 3.3Å; F396-R398 VanDerWaalsContact O-N 3.12Å; R398-Y400 PolarHBondContact O-N 2.88Å; R398-E401 IonicContact NE-OE2 3.54Å; R398-E401 WeakPolarHBondContact O-CB 3.47Å; R398-E401 PolarHBondContact O-N 3.01Å; R398-V402 HydrophobicContact CB-CG2 4.47Å; R398-V402 PolarHBondContact O-N 2.95Å; R398-V402 VanDerWaalsContact O-N 3.16Å
399	F	91.8	Very high	87.9	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-47.7	-55.3	-177.2	-178.5	-91.8	0	0	0	113.3	L75 I339 F360 L363 M364 Y367 L383 F396 Y397 E401 V402 I403	L75-F399 HydrophobicContact CB-CE1 4.5Å; L75-F399 HydrophobicContact CD1-CD1 4.45Å; L75-F399 HydrophobicContact CD1-CE1 3.81Å; L75-F399 HydrophobicContact CD1-CE2 4.11Å; L75-F399 HydrophobicContact CD1-CZ 3.61Å; L75-F399 HydrophobicContact CD2-CD1 4Å; L75-F399 HydrophobicContact CD2-CE1 4.04Å; L75-F399 HydrophobicContact CG-CE1 4.35Å; I339-F399 HydrophobicContact CD1-CB 4.41Å; F360-F399 HydrophobicContact CE2-CD2 4.5Å; F360-F399 HydrophobicContact CE2-CE2 4.23Å; L363-F399 HydrophobicContact CD2-CE2 3.95Å; L363-F399 HydrophobicContact CD2-CZ 4.31Å; M364-F399 HydrophobicContact CE-CD2 4.41Å; M364-F399 HydrophobicContact CE-CE2 3.2Å; M364-F399 HydrophobicContact CE-CZ 3.4Å; M364-F399 VanDerWaalsContact CE-CZ 3.4Å; Y367-F399 HydrophobicContact CD1-CE1 4.31Å; Y367-F399 AromaticContact CD1-CZ 4Å; Y367-F399 HydrophobicContact CD1-CZ 4Å; Y367-F399 AromaticContact CE1-CE1 3.87Å; Y367-F399 HydrophobicContact CE1-CE1 3.87Å; Y367-F399 HydrophobicContact CE1-CZ 4.01Å; Y367-F399 HydrophobicContact CG-CZ 4.48Å; Y367-F399 AromaticContact CZ-CE1 3.99Å; L383-F399 HydrophobicContact CD1-CD2 4.48Å; F396-F399 HydrophobicContact CD2-CD2 4.25Å; F396-F399 AromaticContact CE2-CD2 3.56Å; F396-F399 HydrophobicContact CE2-CD2 3.56Å; F396-F399 HydrophobicContact CE2-CE2 4.06Å; F396-F399 HydrophobicContact CE2-CG 4.46Å; F396-F399 AromaticContact CZ-CD2 3.75Å; F396-F399 HydrophobicContact CZ-CD2 3.75Å; F396-F399 HydrophobicContact CZ-CE2 4.1Å; F396-F399 HydrophobicContact CZ-CG 4.43Å; F396-F399 WeakPolarHBondContact O-CB 3.34Å; F396-F399 PolarHBondContact O-N 3.4Å; Y397-F399 PolarHBondContact O-N 3.35Å; F399-E401 PolarHBondContact O-N 3.35Å; F399-V402 PolarHBondContact O-N 2.64Å; F399-I403 HydrophobicContact CD1-CG2 4.48Å; F399-I403 HydrophobicContact CE1-CB 4.43Å; F399-I403 HydrophobicContact CE1-CG1 4.46Å; F399-I403 HydrophobicContact CE1-CG2 4.31Å; F399-I403 HydrophobicContact CZ-CG1 4.34Å; F399-I403 WeakPolarHBondContact O-CB 3.34Å; F399-I403 VanDerWaalsContact O-CG2 3.32Å; F399-I403 WeakPolarHBondContact O-CG2 3.49Å; F399-I403 PolarHBondContact O-N 3.2Å
400	Y	89.9	Confident	87.5	Confident	40 Å²	40	51.1 Å²	51.1	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-26.1	-176.8	-69	-64	0	0	0	113.2	L75 E79 K335 I339 R398	L75-Y400 WeakPolarHBondContact CA-OH 3.47Å; L75-Y400 PolarHBondContact O-OH 3.49Å; E79-Y400 HydrophobicContact CB-CE1 4Å; K335-Y400 HydrophobicContact CB-CD2 4.18Å; K335-Y400 HydrophobicContact CB-CE2 3.76Å; K335-Y400 HydrophobicContact CD-CD2 4.13Å; K335-Y400 HydrophobicContact CD-CE2 4.21Å; K335-Y400 HydrophobicContact CG-CD2 4.36Å; K335-Y400 HydrophobicContact CG-CE2 3.95Å; I339-Y400 HydrophobicContact CD1-CD2 3.76Å; I339-Y400 HydrophobicContact CD1-CE2 3.72Å; I339-Y400 HydrophobicContact CG1-CD2 4.3Å; I339-Y400 HydrophobicContact CG1-CE2 3.77Å; R398-Y400 PolarHBondContact O-N 2.88Å
401	E	86.9	Confident	86.4	Confident	54 Å²	54	59 Å²	59	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-75.7	-38.7	177.7	-60.9	-179.6	178.7	0	0	112	R398 F399 R762 M771	R398-E401 IonicContact NE-OE2 3.54Å; R398-E401 WeakPolarHBondContact O-CB 3.47Å; R398-E401 PolarHBondContact O-N 3.01Å; F399-E401 PolarHBondContact O-N 3.35Å; E401-R762 VanDerWaalsContact O-CD 3.28Å; E401-R762 WeakPolarHBondContact O-CD 3.31Å; E401-R762 PolarHBondContact O-NE 2.93Å; E401-M771 WeakPolarHBondContact OE1-CE 3.48Å
402	V	89.9	Confident	84.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-87.6	-33.7	-172.9	179.3	0	0	0	0	111.8	T379 A382 L383 R398 F399 G404 L405	T379-V402 HydrophobicContact CG2-CG1 4.41Å; A382-V402 HydrophobicContact CB-CG1 3.58Å; L383-V402 HydrophobicContact CD2-CB 3.84Å; L383-V402 HydrophobicContact CD2-CG1 4.36Å; L383-V402 HydrophobicContact CD2-CG2 3.74Å; L383-V402 HydrophobicContact CG-CB 4.05Å; L383-V402 HydrophobicContact CG-CG1 4.02Å; L383-V402 HydrophobicContact CG-CG2 4.22Å; R398-V402 HydrophobicContact CB-CG2 4.47Å; R398-V402 PolarHBondContact O-N 2.95Å; R398-V402 VanDerWaalsContact O-N 3.16Å; F399-V402 PolarHBondContact O-N 2.64Å; V402-G404 PolarHBondContact O-N 3.47Å; V402-G404 VanDerWaalsContact O-N 3.15Å; V402-L405 HydrophobicContact CB-CD1 4.37Å; V402-L405 HydrophobicContact CG1-CD1 3.88Å; V402-L405 VanDerWaalsContact O-CB 3.3Å; V402-L405 WeakPolarHBondContact O-CB 3.43Å; V402-L405 WeakPolarHBondContact O-CD1 3.22Å; V402-L405 VanDerWaalsContact O-CG 3.24Å; V402-L405 WeakPolarHBondContact O-CG 3.26Å; V402-L405 PolarHBondContact O-N 2.87Å
403	I	89	Confident	82.7	Confident	9 Å²	9	71 Å²	71	5%	0.046	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21	-176.9	-163.3	50.2	0	0	0	113.7	M364 Y367 R368 M371 F399 L405	M364-I403 HydrophobicContact CE-CD1 3.86Å; M364-I403 HydrophobicContact SD-CD1 3.49Å; M364-I403 WeakPolarHBondContact SD-CD1 3.36Å; Y367-I403 HydrophobicContact CD1-CG1 4.13Å; Y367-I403 HydrophobicContact CE1-CG1 3.68Å; Y367-I403 HydrophobicContact CE1-CG2 4.45Å; R368-I403 PolarHBondContact NH1-O 2.93Å; M371-I403 HydrophobicContact CE-CD1 4.43Å; M371-I403 HydrophobicContact SD-CD1 4.23Å; F399-I403 HydrophobicContact CD1-CG2 4.48Å; F399-I403 HydrophobicContact CE1-CB 4.43Å; F399-I403 HydrophobicContact CE1-CG1 4.46Å; F399-I403 HydrophobicContact CE1-CG2 4.31Å; F399-I403 HydrophobicContact CZ-CG1 4.34Å; F399-I403 WeakPolarHBondContact O-CB 3.34Å; F399-I403 VanDerWaalsContact O-CG2 3.32Å; F399-I403 WeakPolarHBondContact O-CG2 3.49Å; F399-I403 PolarHBondContact O-N 3.2Å; I403-L405 VanDerWaalsContact C-N 3.28Å; I403-L405 PolarHBondContact O-N 2.85Å
404	G	83.7	Confident	81.2	Confident	28 Å²	28	75.1 Å²	75.1	29%	0.289	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.3	175.3	0	0	0	0	0	114.6	V402	V402-G404 PolarHBondContact O-N 3.47Å; V402-G404 VanDerWaalsContact O-N 3.15Å
405	L	86.8	Confident	80	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.042	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-72.7	133.9	-175.3	-63	169.8	0	0	0	112.2	V402 I403 W407 F712 R762	V402-L405 HydrophobicContact CB-CD1 4.37Å; V402-L405 HydrophobicContact CG1-CD1 3.88Å; V402-L405 VanDerWaalsContact O-CB 3.3Å; V402-L405 WeakPolarHBondContact O-CB 3.43Å; V402-L405 WeakPolarHBondContact O-CD1 3.22Å; V402-L405 VanDerWaalsContact O-CG 3.24Å; V402-L405 WeakPolarHBondContact O-CG 3.26Å; V402-L405 PolarHBondContact O-N 2.87Å; I403-L405 VanDerWaalsContact C-N 3.28Å; I403-L405 PolarHBondContact O-N 2.85Å; L405-W407 HydrophobicContact CB-CZ2 4.28Å; L405-W407 HydrophobicContact CD1-CH2 4.17Å; L405-W407 HydrophobicContact CD1-CZ2 3.88Å; L405-F712 HydrophobicContact CD1-CB 4.02Å; L405-F712 HydrophobicContact CD1-CD2 3.5Å; L405-F712 VanDerWaalsContact CD1-CD2 3.5Å; L405-F712 HydrophobicContact CD1-CE2 4Å; L405-F712 HydrophobicContact CD1-CG 3.77Å; L405-F712 HydrophobicContact CD2-CD2 3.51Å; L405-F712 HydrophobicContact CD2-CE2 3.98Å; L405-F712 HydrophobicContact CD2-CG 4.45Å; L405-F712 HydrophobicContact CG-CD2 4.13Å; L405-R762 HydrophobicContact CD2-CB 3.98Å; L405-R762 HydrophobicContact CD2-CG 3.74Å
406	K	86.4	Confident	79.2	Confident	163 Å²	163	76.1 Å²	76.1	71%	0.709	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.3	168.6	-66.2	-176.6	-179.4	178	0	109.1	R761	K406-R761 PolarHBondContact N-O 2.77Å; K406-R761 PolarHBondContact O-N 3.47Å
407	W	86.6	Confident	78.2	Confident	14 Å²	14	76.2 Å²	76.2	5%	0.053	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.4	-176.3	-62.5	98.5	0	0	0	112.1	L378 T379 A382 L405 F712 V714 L759 G760	L378-W407 HydrophobicContact CB-CD2 3.59Å; L378-W407 HydrophobicContact CB-CE3 4.03Å; L378-W407 HydrophobicContact CB-CG 3.92Å; L378-W407 HydrophobicContact CB-CZ2 4.09Å; L378-W407 HydrophobicContact CB-CZ3 4.46Å; L378-W407 HydrophobicContact CD1-CB 3.63Å; L378-W407 HydrophobicContact CD1-CD2 3.83Å; L378-W407 HydrophobicContact CD1-CE3 4.03Å; L378-W407 HydrophobicContact CD1-CG 3.65Å; L378-W407 HydrophobicContact CG-CD2 4.29Å; L378-W407 HydrophobicContact CG-CE3 4.47Å; L378-W407 HydrophobicContact CG-CG 4.44Å; T379-W407 HydrophobicContact CG2-CZ2 4.33Å; T379-W407 VanDerWaalsContact CG2-NE1 3.27Å; A382-W407 HydrophobicContact CB-CH2 3.65Å; A382-W407 HydrophobicContact CB-CZ2 3.68Å; L405-W407 HydrophobicContact CB-CZ2 4.28Å; L405-W407 HydrophobicContact CD1-CH2 4.17Å; L405-W407 HydrophobicContact CD1-CZ2 3.88Å; W407-F712 HydrophobicContact CH2-CB 4.32Å; W407-V714 HydrophobicContact CH2-CB 4.2Å; W407-V714 HydrophobicContact CH2-CG2 3.39Å; W407-V714 HydrophobicContact CZ3-CB 3.87Å; W407-V714 HydrophobicContact CZ3-CG2 3.54Å; W407-L759 WeakPolarHBondContact CA-O 3.44Å; W407-G760 VanDerWaalsContact CE3-CA 3.44Å
408	K	83.3	Confident	77.2	Confident	151 Å²	151	76.6 Å²	76.6	66%	0.657	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.3	171.3	-68.3	-174.8	177.8	-178.6	0	109.6	L759	K408-L759 PolarHBondContact N-O 3.28Å; K408-L759 PolarHBondContact O-N 3.45Å
409	P	80.2	Confident	76.3	Confident	42 Å²	42	79.6 Å²	79.6	27%	0.273	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.3	171.9	27.8	-32.6	0	0	0	109.7	R411 Y758	P409-R411 HydrophobicContact CG-CG 4.28Å; P409-R411 PolarHBondContact O-N 2.68Å; P409-Y758 HydrophobicContact CB-CD1 4.16Å; P409-Y758 HydrophobicContact CB-CE1 3.74Å; P409-Y758 HydrophobicContact CG-CE1 4.41Å
410	R	73.1	Confident	75.6	Confident	165 Å²	165	82.4 Å²	82.4	62%	0.623	38%	0.382	S	S	*	.			trans	-71.9	91.5	169.7	-169.2	172.3	-179.9	167.1	-2.1	108.1	D713 V757	R410-D713 IonicContact NH1-OD2 3.77Å; R410-V757 HydrophobicContact CB-CB 4.29Å; R410-V757 VanDerWaalsContact CB-O 3.22Å; R410-V757 WeakPolarHBondContact CB-O 3.28Å; R410-V757 PolarHBondContact N-O 3.43Å
411	R	63.5	Low	75.2	Confident	200 Å²	200	84.7 Å²	84.7	76%	0.755	40%	0.401	S	S	*	.			trans	-79.5	133.7	178.6	-70.9	-177.2	176.1	176.5	-1.7	109.6	P409	P409-R411 HydrophobicContact CG-CG 4.28Å; P409-R411 PolarHBondContact O-N 2.68Å
412	S	49	Very low	74.7	Confident	113 Å²	113	89.8 Å²	89.8	79%	0.79	43%	0.425	S	S	*	.	S	Bend	trans	-87.6	-13.6	169.5	73.3	0	0	0	0	113.9	E414	S412-E414 PolarHBondContact O-N 3.4Å; S412-E414 VanDerWaalsContact O-N 3.17Å
413	R	53.6	Low	74.3	Confident	179 Å²	179	95.1 Å²	95.1	68%	0.675	46%	0.457	S	S	*	.			trans	-79.5	92.6	169.9	-72.9	-171.6	-178.1	-167	-1.6	108.8	D419	R413-D419 IonicContact NH1-OD1 3.17Å
414	E	57.9	Low	73.9	Confident	143 Å²	143	95.7 Å²	95.7	67%	0.668	46%	0.464	S	S	*	.			trans	-80.7	-16.9	-171.9	-71.1	-173.4	170.5	0	0	113.7	S412	S412-E414 PolarHBondContact O-N 3.4Å; S412-E414 VanDerWaalsContact O-N 3.17Å
415	H	65.7	Low	73.9	Confident	52 Å²	52	96.8 Å²	96.8	24%	0.241	46%	0.46	C	S	.	.			trans	-123.1	131.8	-166	-59	-35.9	0	0	0	113.5	F417 D418 H432	H415-F417 HydrophobicContact CB-CD1 3.99Å; H415-F417 HydrophobicContact CB-CD2 4Å; H415-F417 HydrophobicContact CB-CE1 3.62Å; H415-F417 HydrophobicContact CB-CE2 3.63Å; H415-F417 HydrophobicContact CB-CG 4.17Å; H415-F417 HydrophobicContact CB-CZ 3.43Å; H415-F417 VanDerWaalsContact CB-CZ 3.43Å; H415-F417 AromaticContact CD2-CE2 3.93Å; H415-F417 AromaticContact CD2-CZ 3.67Å; H415-F417 AromaticContact CG-CE1 3.87Å; H415-F417 AromaticContact CG-CE2 3.88Å; H415-F417 AromaticContact CG-CZ 3.4Å; H415-F417 PolarHBondContact O-N 2.92Å; H415-F417 VanDerWaalsContact O-N 3.16Å; H415-D418 PolarHBondContact O-N 3.43Å; H415-H432 AromaticContact CE1-CD2 4Å; H415-H432 AromaticContact CE1-CE1 3.37Å; H415-H432 PolarHBondContact CE1-CE1 3.03Å; H415-H432 AromaticContact CE1-ND1 3.98Å; H415-H432 AromaticContact CE1-NE2 3.39Å; H415-H432 PolarHBondContact CE1-NE2 3.38Å; H415-H432 AromaticContact ND1-CE1 3.84Å; H415-H432 AromaticContact NE2-NE2 3.84Å
416	W	72.9	Confident	73.7	Confident	115 Å²	115	102.3 Å²	102.3	44%	0.436	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.9	179.5	74.3	-85.5	0	0	0	113.4	L420 F428 A492	W416-L420 HydrophobicContact CH2-CD1 4.33Å; W416-L420 HydrophobicContact CZ3-CD1 4.07Å; W416-F428 HydrophobicContact CH2-CD1 4.18Å; W416-F428 HydrophobicContact CH2-CD2 4.43Å; W416-F428 AromaticContact CH2-CE1 3.69Å; W416-F428 HydrophobicContact CH2-CE1 3.69Å; W416-F428 AromaticContact CH2-CE2 3.98Å; W416-F428 HydrophobicContact CH2-CE2 3.98Å; W416-F428 AromaticContact CH2-CZ 3.58Å; W416-F428 HydrophobicContact CH2-CZ 3.58Å; W416-F428 AromaticContact CZ2-CD1 3.62Å; W416-F428 HydrophobicContact CZ2-CD1 3.62Å; W416-F428 AromaticContact CZ2-CE1 3.44Å; W416-F428 HydrophobicContact CZ2-CE1 3.44Å; W416-F428 VanDerWaalsContact CZ2-CE1 3.44Å; W416-F428 HydrophobicContact CZ2-CE2 4.38Å; W416-F428 HydrophobicContact CZ2-CG 4.19Å; W416-F428 AromaticContact CZ2-CZ 3.86Å; W416-F428 HydrophobicContact CZ2-CZ 3.86Å; W416-A492 WeakPolarHBondContact CZ2-O 3.49Å; W416-A492 PolarHBondContact NE1-O 3.11Å
417	F	71.4	Confident	73.7	Confident	2 Å²	2	99.6 Å²	99.6	1%	0.009	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2	-178.5	51.5	-100.2	0	0	0	113.8	H415 D419 L420 F425 F428 K429 H432	H415-F417 HydrophobicContact CB-CD1 3.99Å; H415-F417 HydrophobicContact CB-CD2 4Å; H415-F417 HydrophobicContact CB-CE1 3.62Å; H415-F417 HydrophobicContact CB-CE2 3.63Å; H415-F417 HydrophobicContact CB-CG 4.17Å; H415-F417 HydrophobicContact CB-CZ 3.43Å; H415-F417 VanDerWaalsContact CB-CZ 3.43Å; H415-F417 AromaticContact CD2-CE2 3.93Å; H415-F417 AromaticContact CD2-CZ 3.67Å; H415-F417 AromaticContact CG-CE1 3.87Å; H415-F417 AromaticContact CG-CE2 3.88Å; H415-F417 AromaticContact CG-CZ 3.4Å; H415-F417 PolarHBondContact O-N 2.92Å; H415-F417 VanDerWaalsContact O-N 3.16Å; F417-D419 PolarHBondContact O-N 3.27Å; F417-L420 HydrophobicContact CB-CD1 3.66Å; F417-L420 WeakPolarHBondContact O-CB 3.4Å; F417-L420 PolarHBondContact O-N 3.14Å; F417-F425 AromaticContact CD2-CD2 3.95Å; F417-F425 HydrophobicContact CD2-CD2 3.95Å; F417-F425 HydrophobicContact CD2-CE2 4.08Å; F417-F425 HydrophobicContact CE2-CE2 4.28Å; F417-F428 HydrophobicContact CB-CB 3.65Å; F417-F428 HydrophobicContact CB-CD2 4.15Å; F417-F428 HydrophobicContact CB-CG 4.03Å; F417-F428 HydrophobicContact CD1-CB 3.71Å; F417-F428 HydrophobicContact CD1-CG 4.48Å; F417-F428 HydrophobicContact CD2-CB 4.01Å; F417-F428 HydrophobicContact CE1-CB 4.32Å; F417-F428 HydrophobicContact CG-CB 3.52Å; F417-F428 HydrophobicContact CG-CG 4.37Å; F417-K429 HydrophobicContact CE2-CB 4.31Å; F417-H432 HydrophobicContact CE1-CB 4.11Å; F417-H432 HydrophobicContact CZ-CB 3.86Å
418	D	70.1	Confident	73.6	Confident	58 Å²	58	101 Å²	101	31%	0.31	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.3	178.9	-72.5	-19.7	0	0	0	113.1	H415	H415-D418 PolarHBondContact O-N 3.43Å
419	D	69.8	Low	73.7	Confident	135 Å²	135	99.8 Å²	99.8	72%	0.722	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	3.1	179.1	-63.4	-35.2	0	0	0	113.2	R413 F417	R413-D419 IonicContact NH1-OD1 3.17Å; F417-D419 PolarHBondContact O-N 3.27Å
420	L	77.6	Confident	74.1	Confident	60 Å²	60	99.4 Å²	99.4	31%	0.314	49%	0.486	S	S	.	.	S	Bend	trans	-86.6	153.4	-178.1	-75.2	166.6	0	0	0	112.7	W416 F417 A424 F428	W416-L420 HydrophobicContact CH2-CD1 4.33Å; W416-L420 HydrophobicContact CZ3-CD1 4.07Å; F417-L420 HydrophobicContact CB-CD1 3.66Å; F417-L420 WeakPolarHBondContact O-CB 3.4Å; F417-L420 PolarHBondContact O-N 3.14Å; L420-A424 HydrophobicContact CB-CB 4.09Å; L420-A424 HydrophobicContact CD1-CB 4.41Å; L420-F428 HydrophobicContact CD1-CD2 3.54Å; L420-F428 HydrophobicContact CD1-CE2 3.65Å
421	P	81.7	Confident	74.8	Confident	87 Å²	87	93.3 Å²	93.3	57%	0.565	47%	0.466	S	S	*	.			trans	-58.9	152.3	174.6	24.8	-33.9	0	0	0	111.7	T423 A424 F425	P421-T423 PolarHBondContact O-N 2.93Å; P421-A424 HydrophobicContact CG-CB 4.3Å; P421-A424 PolarHBondContact O-N 3.4Å; P421-F425 PolarHBondContact O-N 3.24Å
422	H	75.9	Confident	76	Confident	162 Å²	162	85 Å²	85	75%	0.75	44%	0.435	S	S	*	.	H	α-helix	trans	-49.7	-35.2	-168.6	-111.6	-66.9	0	0	0	115.4	L426	H422-L426 PolarHBondContact O-N 3.44Å
423	T	81.5	Confident	77.8	Confident	111 Å²	111	86 Å²	86	68%	0.681	43%	0.431	S	S	*	.	H	α-helix	trans	-70	-46.4	178.4	48.8	0	0	0	0	112.3	P421 L426 I427	P421-T423 PolarHBondContact O-N 2.93Å; T423-L426 PolarHBondContact O-N 3.43Å; T423-I427 WeakPolarHBondContact O-CG1 3.45Å; T423-I427 PolarHBondContact O-N 2.94Å
424	A	81.7	Confident	79.6	Confident	21 Å²	21	81.3 Å²	81.3	17%	0.174	42%	0.422	C	S	.	.	H	α-helix	trans	-68.8	-39.1	176.8	0	0	0	0	0	111.4	L420 P421 L426 I427 F428	L420-A424 HydrophobicContact CB-CB 4.09Å; L420-A424 HydrophobicContact CD1-CB 4.41Å; P421-A424 HydrophobicContact CG-CB 4.3Å; P421-A424 PolarHBondContact O-N 3.4Å; A424-L426 VanDerWaalsContact C-N 3.28Å; A424-L426 PolarHBondContact O-N 3.01Å; A424-I427 PolarHBondContact O-N 3.5Å; A424-F428 HydrophobicContact CB-CD2 4.48Å; A424-F428 HydrophobicContact CB-CE2 4.47Å; A424-F428 WeakPolarHBondContact O-CD2 3.47Å; A424-F428 PolarHBondContact O-N 3.22Å
425	F	82.2	Confident	81.1	Confident	51 Å²	51	74.9 Å²	74.9	22%	0.224	39%	0.393	C	S	.	.	H	α-helix	trans	-54.5	-44.5	174	175.3	-100.1	0	0	0	111.8	F417 P421 I427 F428 K429	F417-F425 AromaticContact CD2-CD2 3.95Å; F417-F425 HydrophobicContact CD2-CD2 3.95Å; F417-F425 HydrophobicContact CD2-CE2 4.08Å; F417-F425 HydrophobicContact CE2-CE2 4.28Å; P421-F425 PolarHBondContact O-N 3.24Å; F425-I427 PolarHBondContact O-N 3.29Å; F425-F428 PolarHBondContact O-N 3.35Å; F425-K429 HydrophobicContact CE1-CD 3.88Å; F425-K429 HydrophobicContact CZ-CD 4.05Å; F425-K429 WeakPolarHBondContact O-CB 3.48Å; F425-K429 PolarHBondContact O-N 3.41Å
426	L	83.5	Confident	82.1	Confident	125 Å²	125	79.1 Å²	79.1	65%	0.654	41%	0.411	S	S	*	.	H	α-helix	trans	-66.9	-38	-179	-147.6	123.8	0	0	0	112.3	H422 T423 A424 G430	H422-L426 PolarHBondContact O-N 3.44Å; T423-L426 PolarHBondContact O-N 3.43Å; A424-L426 VanDerWaalsContact C-N 3.28Å; A424-L426 PolarHBondContact O-N 3.01Å; L426-G430 PolarHBondContact O-N 3.14Å
427	I	86.7	Confident	83	Confident	106 Å²	106	75.6 Å²	75.6	54%	0.544	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-52.9	176	-65	167.9	0	0	0	110.4	T423 A424 F425 K429 G430 I431	T423-I427 WeakPolarHBondContact O-CG1 3.45Å; T423-I427 PolarHBondContact O-N 2.94Å; A424-I427 PolarHBondContact O-N 3.5Å; F425-I427 PolarHBondContact O-N 3.29Å; I427-K429 VanDerWaalsContact C-N 3.34Å; I427-K429 PolarHBondContact O-N 3.03Å; I427-G430 PolarHBondContact O-N 2.93Å; I427-G430 VanDerWaalsContact O-N 3.16Å; I427-I431 HydrophobicContact CG2-CD1 3.9Å; I427-I431 WeakPolarHBondContact O-CG1 3.32Å; I427-I431 PolarHBondContact O-N 3.2Å
428	F	85.3	Confident	83.8	Confident	44 Å²	44	83 Å²	83	19%	0.193	44%	0.436	C	S	.	.	H	α-helix	trans	-67.7	-33.5	-179.1	-73.5	-68.1	0	0	0	112.7	W416 F417 L420 A424 F425 G430 I431 H432 A492	W416-F428 HydrophobicContact CH2-CD1 4.18Å; W416-F428 HydrophobicContact CH2-CD2 4.43Å; W416-F428 AromaticContact CH2-CE1 3.69Å; W416-F428 HydrophobicContact CH2-CE1 3.69Å; W416-F428 AromaticContact CH2-CE2 3.98Å; W416-F428 HydrophobicContact CH2-CE2 3.98Å; W416-F428 AromaticContact CH2-CZ 3.58Å; W416-F428 HydrophobicContact CH2-CZ 3.58Å; W416-F428 AromaticContact CZ2-CD1 3.62Å; W416-F428 HydrophobicContact CZ2-CD1 3.62Å; W416-F428 AromaticContact CZ2-CE1 3.44Å; W416-F428 HydrophobicContact CZ2-CE1 3.44Å; W416-F428 VanDerWaalsContact CZ2-CE1 3.44Å; W416-F428 HydrophobicContact CZ2-CE2 4.38Å; W416-F428 HydrophobicContact CZ2-CG 4.19Å; W416-F428 AromaticContact CZ2-CZ 3.86Å; W416-F428 HydrophobicContact CZ2-CZ 3.86Å; F417-F428 HydrophobicContact CB-CB 3.65Å; F417-F428 HydrophobicContact CB-CD2 4.15Å; F417-F428 HydrophobicContact CB-CG 4.03Å; F417-F428 HydrophobicContact CD1-CB 3.71Å; F417-F428 HydrophobicContact CD1-CG 4.48Å; F417-F428 HydrophobicContact CD2-CB 4.01Å; F417-F428 HydrophobicContact CE1-CB 4.32Å; F417-F428 HydrophobicContact CG-CB 3.52Å; F417-F428 HydrophobicContact CG-CG 4.37Å; L420-F428 HydrophobicContact CD1-CD2 3.54Å; L420-F428 HydrophobicContact CD1-CE2 3.65Å; A424-F428 HydrophobicContact CB-CD2 4.48Å; A424-F428 HydrophobicContact CB-CE2 4.47Å; A424-F428 WeakPolarHBondContact O-CD2 3.47Å; A424-F428 PolarHBondContact O-N 3.22Å; F425-F428 PolarHBondContact O-N 3.35Å; F428-G430 VanDerWaalsContact C-N 3.34Å; F428-I431 HydrophobicContact CD1-CD1 4.24Å; F428-I431 PolarHBondContact O-N 3.14Å; F428-H432 VanDerWaalsContact O-CB 3.29Å; F428-H432 WeakPolarHBondContact O-CB 3.46Å; F428-H432 PolarHBondContact O-N 3.37Å; F428-A492 HydrophobicContact CD1-CB 4.34Å; F428-A492 HydrophobicContact CE1-CB 4Å
429	K	84.4	Confident	84.8	Confident	124 Å²	124	83.7 Å²	83.7	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-40.7	171.2	-173.6	175.8	-178	177.8	0	111.8	F417 F425 I427 H432 L433	F417-K429 HydrophobicContact CE2-CB 4.31Å; F425-K429 HydrophobicContact CE1-CD 3.88Å; F425-K429 HydrophobicContact CZ-CD 4.05Å; F425-K429 WeakPolarHBondContact O-CB 3.48Å; F425-K429 PolarHBondContact O-N 3.41Å; I427-K429 VanDerWaalsContact C-N 3.34Å; I427-K429 PolarHBondContact O-N 3.03Å; K429-H432 PolarHBondContact O-N 3.07Å; K429-L433 PolarHBondContact O-N 3Å
430	G	87.8	Confident	85.8	Confident	34 Å²	34	78.8 Å²	78.8	35%	0.351	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-48.4	172.8	0	0	0	0	0	112.5	L426 I427 F428 H432 L433 V434	L426-G430 PolarHBondContact O-N 3.14Å; I427-G430 PolarHBondContact O-N 2.93Å; I427-G430 VanDerWaalsContact O-N 3.16Å; F428-G430 VanDerWaalsContact C-N 3.34Å; G430-H432 VanDerWaalsContact C-N 3.32Å; G430-H432 PolarHBondContact O-N 3.31Å; G430-L433 PolarHBondContact O-N 3.05Å; G430-V434 WeakPolarHBondContact O-CG2 3.4Å; G430-V434 PolarHBondContact O-N 3.06Å
431	I	88.8	Confident	86.3	Confident	37 Å²	37	80.3 Å²	80.3	19%	0.19	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-43.1	176.7	-64	167.3	0	0	0	110.7	I427 F428 L433 V434 V435 L489 A492	I427-I431 HydrophobicContact CG2-CD1 3.9Å; I427-I431 WeakPolarHBondContact O-CG1 3.32Å; I427-I431 PolarHBondContact O-N 3.2Å; F428-I431 HydrophobicContact CD1-CD1 4.24Å; F428-I431 PolarHBondContact O-N 3.14Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.13Å; I431-V434 PolarHBondContact O-N 3.2Å; I431-V435 HydrophobicContact CG2-CG2 4.12Å; I431-V435 WeakPolarHBondContact O-CB 3.45Å; I431-V435 VanDerWaalsContact O-CG2 3.29Å; I431-V435 WeakPolarHBondContact O-CG2 3.39Å; I431-V435 PolarHBondContact O-N 3.49Å; I431-L489 HydrophobicContact CG2-CD2 4.31Å; I431-L489 WeakPolarHBondContact CG2-O 3.38Å; I431-A492 HydrophobicContact CG2-CB 4.32Å
432	H	87.7	Confident	86.8	Confident	25 Å²	25	83.3 Å²	83.3	12%	0.116	43%	0.429	C	S	.	.	H	α-helix	trans	-58.3	-45.9	176.2	-175.9	79.6	0	0	0	111.7	H415 F417 F428 K429 G430 V434 V435 K436 G493	H415-H432 AromaticContact CE1-CD2 4Å; H415-H432 AromaticContact CE1-CE1 3.37Å; H415-H432 PolarHBondContact CE1-CE1 3.03Å; H415-H432 AromaticContact CE1-ND1 3.98Å; H415-H432 AromaticContact CE1-NE2 3.39Å; H415-H432 PolarHBondContact CE1-NE2 3.38Å; H415-H432 AromaticContact ND1-CE1 3.84Å; H415-H432 AromaticContact NE2-NE2 3.84Å; F417-H432 HydrophobicContact CE1-CB 4.11Å; F417-H432 HydrophobicContact CZ-CB 3.86Å; F428-H432 VanDerWaalsContact O-CB 3.29Å; F428-H432 WeakPolarHBondContact O-CB 3.46Å; F428-H432 PolarHBondContact O-N 3.37Å; K429-H432 PolarHBondContact O-N 3.07Å; G430-H432 VanDerWaalsContact C-N 3.32Å; G430-H432 PolarHBondContact O-N 3.31Å; H432-V434 PolarHBondContact O-N 3.27Å; H432-V435 PolarHBondContact O-N 3.38Å; H432-K436 VanDerWaalsContact O-CB 3.29Å; H432-K436 WeakPolarHBondContact O-CB 3.5Å; H432-K436 PolarHBondContact O-N 3Å; H432-G493 PolarHBondContact ND1-O 3.26Å
433	L	88	Confident	87.6	Confident	134 Å²	134	78 Å²	78	70%	0.702	41%	0.413	S	S	*	.	H	α-helix	trans	-62.9	-42.9	178.1	-171.7	69.8	0	0	0	112	K429 G430 I431 S437	K429-L433 PolarHBondContact O-N 3Å; G430-L433 PolarHBondContact O-N 3.05Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.13Å; L433-S437 PolarHBondContact O-N 2.78Å
434	V	92.1	Very high	88	Confident	81 Å²	81	73.7 Å²	73.7	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-50.1	177.9	172.1	0	0	0	0	110.9	G430 I431 H432 K436 S437 F440	G430-V434 WeakPolarHBondContact O-CG2 3.4Å; G430-V434 PolarHBondContact O-N 3.06Å; I431-V434 PolarHBondContact O-N 3.2Å; H432-V434 PolarHBondContact O-N 3.27Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 2.82Å; V434-S437 VanDerWaalsContact O-CB 3.29Å; V434-S437 WeakPolarHBondContact O-CB 3.27Å; V434-S437 PolarHBondContact O-N 3.45Å; V434-S437 VanDerWaalsContact O-N 3.12Å; V434-S437 PolarHBondContact O-OG 3.4Å; V434-F440 HydrophobicContact CG1-CD2 4.29Å; V434-F440 VanDerWaalsContact O-CB 3.24Å; V434-F440 WeakPolarHBondContact O-CB 3.31Å
435	V	89.4	Confident	88.5	Confident	8 Å²	8	75.2 Å²	75.2	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-36.8	-177.1	168.7	0	0	0	0	112.2	I431 H432 S437 F440 L489 K490 L494	I431-V435 HydrophobicContact CG2-CG2 4.12Å; I431-V435 WeakPolarHBondContact O-CB 3.45Å; I431-V435 VanDerWaalsContact O-CG2 3.29Å; I431-V435 WeakPolarHBondContact O-CG2 3.39Å; I431-V435 PolarHBondContact O-N 3.49Å; H432-V435 PolarHBondContact O-N 3.38Å; V435-S437 VanDerWaalsContact C-N 3.29Å; V435-F440 HydrophobicContact CG2-CE1 4.48Å; V435-L489 HydrophobicContact CG2-CB 4.22Å; V435-K490 HydrophobicContact CG1-CB 4.38Å; V435-K490 HydrophobicContact CG1-CG 3.83Å; V435-L494 HydrophobicContact CG1-CD1 4.27Å; V435-L494 HydrophobicContact CG1-CG 4.12Å
436	K	86.6	Confident	89	Confident	141 Å²	141	76.9 Å²	76.9	61%	0.613	40%	0.401	S	S	*	.	H	α-helix	trans	-77.9	-13.9	178.3	-163.9	172.9	-178.8	176.5	0	112.7	H432 V434	H432-K436 VanDerWaalsContact O-CB 3.29Å; H432-K436 WeakPolarHBondContact O-CB 3.5Å; H432-K436 PolarHBondContact O-N 3Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 2.82Å
437	S	91.3	Very high	89.5	Confident	42 Å²	42	72.4 Å²	72.4	29%	0.294	38%	0.379	S	S	.	.	S	Bend	trans	-65.1	139.1	179.4	78.2	0	0	0	0	111.8	L433 V434 V435 A439 F440	L433-S437 PolarHBondContact O-N 2.78Å; V434-S437 VanDerWaalsContact O-CB 3.29Å; V434-S437 WeakPolarHBondContact O-CB 3.27Å; V434-S437 PolarHBondContact O-N 3.45Å; V434-S437 VanDerWaalsContact O-N 3.12Å; V434-S437 PolarHBondContact O-OG 3.4Å; V435-S437 VanDerWaalsContact C-N 3.29Å; S437-A439 PolarHBondContact O-N 3.22Å; S437-F440 PolarHBondContact O-N 2.73Å; S437-F440 WeakPolarHBondContact OG-CB 3.45Å; S437-F440 PolarHBondContact OG-N 3.08Å
438	K	87.8	Confident	89.8	Confident	158 Å²	158	67.5 Å²	67.5	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-32.4	173.6	-66.6	-176.3	179.4	178.1	0	111.5	F440 Q441 Y442	K438-F440 PolarHBondContact O-N 2.99Å; K438-Q441 PolarHBondContact O-N 2.89Å; K438-Y442 HydrophobicContact CB-CD2 4.37Å; K438-Y442 HydrophobicContact CB-CE2 4.19Å; K438-Y442 WeakPolarHBondContact O-CD2 3.42Å; K438-Y442 PolarHBondContact O-N 3.2Å
439	A	91	Very high	90.1	Very high	72 Å²	72	67.5 Å²	67.5	60%	0.595	36%	0.362	S	S	*	.	H	α-helix	trans	-60.5	-44	178.2	0	0	0	0	0	112.2	S437 Q441 Y442 A443	S437-A439 PolarHBondContact O-N 3.22Å; A439-Q441 PolarHBondContact O-N 2.8Å; A439-Y442 PolarHBondContact O-N 3.18Å; A439-A443 WeakPolarHBondContact O-CB 3.46Å; A439-A443 PolarHBondContact O-N 2.9Å
440	F	91.8	Very high	90.6	Very high	31 Å²	31	66 Å²	66	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.4	179.2	-104.1	0	0	0	112	V434 V435 S437 K438 A443 M444 E486 L489 K490	V434-F440 HydrophobicContact CG1-CD2 4.29Å; V434-F440 VanDerWaalsContact O-CB 3.24Å; V434-F440 WeakPolarHBondContact O-CB 3.31Å; V435-F440 HydrophobicContact CG2-CE1 4.48Å; S437-F440 PolarHBondContact O-N 2.73Å; S437-F440 WeakPolarHBondContact OG-CB 3.45Å; S437-F440 PolarHBondContact OG-N 3.08Å; K438-F440 PolarHBondContact O-N 2.99Å; F440-A443 PolarHBondContact O-N 3.37Å; F440-M444 HydrophobicContact CE1-CG 4.34Å; F440-M444 HydrophobicContact CE2-CG 4.44Å; F440-M444 HydrophobicContact CZ-CG 4.2Å; F440-M444 WeakPolarHBondContact O-CG 3.48Å; F440-M444 PolarHBondContact O-N 2.98Å; F440-E486 HydrophobicContact CE1-CG 4.4Å; F440-E486 HydrophobicContact CZ-CG 3.99Å; F440-L489 HydrophobicContact CE2-CD1 4.44Å; F440-K490 HydrophobicContact CE1-CG 4.22Å
441	Q	87.8	Confident	90.8	Very high	93 Å²	93	64.7 Å²	64.7	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-47.4	176.9	-64.2	179.8	-9.2	0	0	112.1	K438 A439 M444 Y445	K438-Q441 PolarHBondContact O-N 2.89Å; A439-Q441 PolarHBondContact O-N 2.8Å; Q441-M444 PolarHBondContact O-N 3.12Å; Q441-Y445 HydrophobicContact CB-CE2 4.45Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.4Å; Q441-Y445 PolarHBondContact O-N 2.98Å; Q441-Y445 VanDerWaalsContact O-N 3.08Å
442	Y	90.8	Very high	90.9	Very high	150 Å²	150	63.7 Å²	63.7	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-64.2	-39.7	176.6	-73	-62	0	0	0	112.6	K438 A439 M444 Y445 V446	K438-Y442 HydrophobicContact CB-CD2 4.37Å; K438-Y442 HydrophobicContact CB-CE2 4.19Å; K438-Y442 WeakPolarHBondContact O-CD2 3.42Å; K438-Y442 PolarHBondContact O-N 3.2Å; A439-Y442 PolarHBondContact O-N 3.18Å; Y442-M444 VanDerWaalsContact C-N 3.31Å; Y442-M444 PolarHBondContact O-N 3.1Å; Y442-Y445 HydrophobicContact CD1-CD2 4.31Å; Y442-Y445 PolarHBondContact O-N 3.29Å; Y442-V446 WeakPolarHBondContact O-CG2 3.42Å; Y442-V446 PolarHBondContact O-N 2.87Å
443	A	92.9	Very high	91.1	Very high	51 Å²	51	66.8 Å²	66.8	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-44.6	175.5	0	0	0	0	0	111.3	A439 F440 Y445 V446 V447	A439-A443 WeakPolarHBondContact O-CB 3.46Å; A439-A443 PolarHBondContact O-N 2.9Å; F440-A443 PolarHBondContact O-N 3.37Å; A443-Y445 PolarHBondContact O-N 3.34Å; A443-V446 PolarHBondContact O-N 3.31Å; A443-V447 WeakPolarHBondContact O-CG2 3.32Å; A443-V447 PolarHBondContact O-N 3.49Å
444	M	91.6	Very high	91.3	Very high	19 Å²	19	65.5 Å²	65.5	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-37.8	176.4	-68	-50.2	-49.2	0	0	112.8	F440 Q441 Y442 V446 V447 V448 I482 Y483 E486	F440-M444 HydrophobicContact CE1-CG 4.34Å; F440-M444 HydrophobicContact CE2-CG 4.44Å; F440-M444 HydrophobicContact CZ-CG 4.2Å; F440-M444 WeakPolarHBondContact O-CG 3.48Å; F440-M444 PolarHBondContact O-N 2.98Å; Q441-M444 PolarHBondContact O-N 3.12Å; Y442-M444 VanDerWaalsContact C-N 3.31Å; Y442-M444 PolarHBondContact O-N 3.1Å; M444-V446 VanDerWaalsContact C-N 3.34Å; M444-V446 PolarHBondContact O-N 2.9Å; M444-V447 PolarHBondContact O-N 2.83Å; M444-V448 WeakPolarHBondContact O-CG2 3.38Å; M444-V448 PolarHBondContact O-N 2.99Å; M444-I482 HydrophobicContact CE-CG2 4.12Å; M444-Y483 HydrophobicContact CE-CD1 3.94Å; M444-Y483 HydrophobicContact CE-CE1 4.2Å; M444-E486 HydrophobicContact CE-CB 3.88Å; M444-E486 HydrophobicContact CE-CG 3.8Å; M444-E486 VanDerWaalsContact CE-OE2 3.29Å; M444-E486 WeakPolarHBondContact CE-OE2 3.3Å; M444-E486 HydrophobicContact CG-CG 3.98Å; M444-E486 HydrophobicContact SD-CB 4.09Å; M444-E486 HydrophobicContact SD-CG 3.88Å
445	Y	91.1	Very high	91.1	Very high	54 Å²	54	62.4 Å²	62.4	21%	0.212	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-39.1	173.7	-67.7	-42.5	0	0	0	112.9	Q441 Y442 A443 V448 A449 K545 I546	Q441-Y445 HydrophobicContact CB-CE2 4.45Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.4Å; Q441-Y445 PolarHBondContact O-N 2.98Å; Q441-Y445 VanDerWaalsContact O-N 3.08Å; Y442-Y445 HydrophobicContact CD1-CD2 4.31Å; Y442-Y445 PolarHBondContact O-N 3.29Å; A443-Y445 PolarHBondContact O-N 3.34Å; Y445-V448 PolarHBondContact O-N 3.09Å; Y445-A449 WeakPolarHBondContact O-CB 3.33Å; Y445-A449 PolarHBondContact O-N 3.02Å; Y445-K545 HydrophobicContact CE1-CB 4.08Å; Y445-I546 HydrophobicContact CD1-CD1 3.92Å; Y445-I546 HydrophobicContact CD1-CG1 3.68Å; Y445-I546 HydrophobicContact CD2-CD1 4.19Å; Y445-I546 HydrophobicContact CD2-CG1 3.83Å; Y445-I546 HydrophobicContact CE1-CG1 3.82Å; Y445-I546 HydrophobicContact CE2-CG1 3.95Å; Y445-I546 HydrophobicContact CG-CD1 3.74Å; Y445-I546 HydrophobicContact CG-CG1 3.71Å
446	V	92.9	Very high	91.1	Very high	86 Å²	86	66.4 Å²	66.4	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-43.5	174.3	171.6	0	0	0	0	110.6	Y442 A443 M444 V448 A449 I450	Y442-V446 WeakPolarHBondContact O-CG2 3.42Å; Y442-V446 PolarHBondContact O-N 2.87Å; A443-V446 PolarHBondContact O-N 3.31Å; M444-V446 VanDerWaalsContact C-N 3.34Å; M444-V446 PolarHBondContact O-N 2.9Å; V446-V448 VanDerWaalsContact C-N 3.35Å; V446-V448 PolarHBondContact O-N 3.35Å; V446-A449 PolarHBondContact O-N 2.88Å; V446-I450 HydrophobicContact CG1-CD1 3.72Å; V446-I450 HydrophobicContact CG1-CG1 4.31Å; V446-I450 VanDerWaalsContact O-CG1 3.28Å; V446-I450 WeakPolarHBondContact O-CG1 3.15Å; V446-I450 PolarHBondContact O-N 2.97Å
447	V	93.8	Very high	91.2	Very high	31 Å²	31	62.6 Å²	62.6	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-46.3	174.8	170.9	0	0	0	0	111.4	A443 M444 A449 I450 N451 F479 I482 Y483	A443-V447 WeakPolarHBondContact O-CG2 3.32Å; A443-V447 PolarHBondContact O-N 3.49Å; M444-V447 PolarHBondContact O-N 2.83Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 2.78Å; V447-I450 PolarHBondContact O-N 3.18Å; V447-N451 WeakPolarHBondContact O-CB 3.49Å; V447-N451 PolarHBondContact O-N 3.45Å; V447-F479 HydrophobicContact CG1-CD1 4.13Å; V447-F479 HydrophobicContact CG1-CE1 4.37Å; V447-I482 HydrophobicContact CG1-CG2 3.95Å; V447-I482 HydrophobicContact CG2-CG2 4.5Å; V447-Y483 HydrophobicContact CG1-CE1 4.12Å
448	V	92.3	Very high	90.9	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-42.3	177.5	173.6	0	0	0	0	111.1	M444 Y445 V446 N451 G452 Y483 L540 R542 L543	M444-V448 WeakPolarHBondContact O-CG2 3.38Å; M444-V448 PolarHBondContact O-N 2.99Å; Y445-V448 PolarHBondContact O-N 3.09Å; V446-V448 VanDerWaalsContact C-N 3.35Å; V446-V448 PolarHBondContact O-N 3.35Å; V448-N451 PolarHBondContact O-N 2.91Å; V448-G452 PolarHBondContact O-N 3.35Å; V448-Y483 HydrophobicContact CG2-CE1 3.87Å; V448-L540 HydrophobicContact CG1-CD2 4.08Å; V448-L540 WeakPolarHBondContact O-CD2 3.44Å; V448-R542 HydrophobicContact CG1-CB 4.36Å; V448-R542 HydrophobicContact CG2-CB 4.19Å; V448-L543 HydrophobicContact CG1-CB 4.32Å; V448-L543 HydrophobicContact CG1-CD1 4.37Å
449	A	92.3	Very high	90.7	Very high	43 Å²	43	57.3 Å²	57.3	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-44.4	177.4	0	0	0	0	0	112.1	Y445 V446 V447 N451 G452 V453 L543	Y445-A449 WeakPolarHBondContact O-CB 3.33Å; Y445-A449 PolarHBondContact O-N 3.02Å; V446-A449 PolarHBondContact O-N 2.88Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 2.78Å; A449-N451 VanDerWaalsContact C-N 3.33Å; A449-N451 PolarHBondContact O-N 3.31Å; A449-G452 PolarHBondContact O-N 3.3Å; A449-V453 WeakPolarHBondContact O-CG2 3.35Å; A449-V453 PolarHBondContact O-N 3.46Å; A449-L543 HydrophobicContact CB-CD1 4.45Å
450	I	94.3	Very high	90.3	Very high	92 Å²	92	61.1 Å²	61.1	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-43.4	175.8	-67.8	167.5	0	0	0	110.5	V446 V447 G452 V453 W454 F479	V446-I450 HydrophobicContact CG1-CD1 3.72Å; V446-I450 HydrophobicContact CG1-CG1 4.31Å; V446-I450 VanDerWaalsContact O-CG1 3.28Å; V446-I450 WeakPolarHBondContact O-CG1 3.15Å; V446-I450 PolarHBondContact O-N 2.97Å; V447-I450 PolarHBondContact O-N 3.18Å; I450-G452 VanDerWaalsContact C-N 3.33Å; I450-G452 PolarHBondContact O-N 2.78Å; I450-V453 PolarHBondContact O-N 3.19Å; I450-W454 WeakPolarHBondContact O-CB 3.38Å; I450-W454 PolarHBondContact O-N 3.44Å; I450-F479 HydrophobicContact CG2-CE1 4.41Å; I450-F479 HydrophobicContact CG2-CZ 4.16Å
451	N	92.3	Very high	89.9	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-60.5	-43.1	175.5	-172.1	3.7	0	0	0	111.3	V447 V448 A449 W454 I455 F479 Y483 Q539	V447-N451 WeakPolarHBondContact O-CB 3.49Å; V447-N451 PolarHBondContact O-N 3.45Å; V448-N451 PolarHBondContact O-N 2.91Å; A449-N451 VanDerWaalsContact C-N 3.33Å; A449-N451 PolarHBondContact O-N 3.31Å; N451-W454 WeakPolarHBondContact O-CB 3.25Å; N451-W454 PolarHBondContact O-N 3.13Å; N451-I455 WeakPolarHBondContact O-CG1 3.3Å; N451-I455 PolarHBondContact O-N 2.74Å; N451-I455 WeakPolarHBondContact OD1-CD1 3.44Å; N451-F479 HydrophobicContact CB-CD1 3.71Å; N451-F479 HydrophobicContact CB-CD2 4.09Å; N451-F479 HydrophobicContact CB-CE1 3.65Å; N451-F479 HydrophobicContact CB-CE2 4.05Å; N451-F479 HydrophobicContact CB-CG 3.95Å; N451-F479 HydrophobicContact CB-CZ 3.84Å; N451-F479 WeakPolarHBondContact OD1-CD2 3.39Å; N451-Y483 PolarHBondContact ND2-OH 2.85Å; N451-Q539 PolarHBondContact ND2-OE1 3.36Å
452	G	91.4	Very high	89.2	Confident	17 Å²	17	66.5 Å²	66.5	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.1	0	0	0	0	0	113.3	V448 A449 I450 W454 I455 L456	V448-G452 PolarHBondContact O-N 3.35Å; A449-G452 PolarHBondContact O-N 3.3Å; I450-G452 VanDerWaalsContact C-N 3.33Å; I450-G452 PolarHBondContact O-N 2.78Å; G452-W454 VanDerWaalsContact C-N 3.3Å; G452-W454 PolarHBondContact O-N 3.44Å; G452-I455 PolarHBondContact O-N 3.41Å; G452-L456 WeakPolarHBondContact O-CB 3.5Å; G452-L456 PolarHBondContact O-N 2.84Å
453	V	92.6	Very high	87.8	Confident	89 Å²	89	66.9 Å²	66.9	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-39.7	174.7	175	0	0	0	0	110.8	A449 I450 L456 V457	A449-V453 WeakPolarHBondContact O-CG2 3.35Å; A449-V453 PolarHBondContact O-N 3.46Å; I450-V453 PolarHBondContact O-N 3.19Å; V453-L456 WeakPolarHBondContact O-CB 3.41Å; V453-L456 PolarHBondContact O-N 3.2Å; V453-V457 HydrophobicContact CG1-CG2 4.33Å; V453-V457 WeakPolarHBondContact O-CG2 3.46Å; V453-V457 PolarHBondContact O-N 3.02Å
454	W	91.1	Very high	86	Confident	107 Å²	107	69.7 Å²	69.7	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-47.6	177.9	-172.5	-91.7	0	0	0	112.3	I450 N451 G452 L456 V457 E458 S475 F479	I450-W454 WeakPolarHBondContact O-CB 3.38Å; I450-W454 PolarHBondContact O-N 3.44Å; N451-W454 WeakPolarHBondContact O-CB 3.25Å; N451-W454 PolarHBondContact O-N 3.13Å; G452-W454 VanDerWaalsContact C-N 3.3Å; G452-W454 PolarHBondContact O-N 3.44Å; W454-L456 VanDerWaalsContact C-N 3.27Å; W454-L456 PolarHBondContact O-N 3.38Å; W454-V457 PolarHBondContact O-N 3.23Å; W454-E458 WeakPolarHBondContact O-CB 3.39Å; W454-E458 PolarHBondContact O-N 3.37Å; W454-S475 PolarHBondContact NE1-OG 3.02Å; W454-F479 HydrophobicContact CB-CE2 4.23Å; W454-F479 HydrophobicContact CB-CZ 4.47Å; W454-F479 HydrophobicContact CG-CE2 4.21Å
455	I	88.3	Confident	84.3	Confident	16 Å²	16	71.4 Å²	71.4	8%	0.082	39%	0.39	C	S	.	.	H	α-helix	trans	-57	-44.8	175	-69.3	167.5	0	0	0	109.7	N451 G452 E458 T459 R536	N451-I455 WeakPolarHBondContact O-CG1 3.3Å; N451-I455 PolarHBondContact O-N 2.74Å; N451-I455 WeakPolarHBondContact OD1-CD1 3.44Å; G452-I455 PolarHBondContact O-N 3.41Å; I455-E458 PolarHBondContact O-N 3.32Å; I455-T459 HydrophobicContact CG2-CG2 4.49Å; I455-T459 WeakPolarHBondContact O-CG2 3.29Å; I455-T459 PolarHBondContact O-N 2.64Å; I455-T459 PolarHBondContact O-OG1 3.06Å; I455-R536 HydrophobicContact CD1-CG 4.37Å
456	L	89.4	Confident	82.5	Confident	93 Å²	93	72.8 Å²	72.8	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-48.8	178.6	-173.9	66.4	0	0	0	111.9	G452 V453 W454 E458 T459 F460	G452-L456 WeakPolarHBondContact O-CB 3.5Å; G452-L456 PolarHBondContact O-N 2.84Å; V453-L456 WeakPolarHBondContact O-CB 3.41Å; V453-L456 PolarHBondContact O-N 3.2Å; W454-L456 VanDerWaalsContact C-N 3.27Å; W454-L456 PolarHBondContact O-N 3.38Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.88Å; L456-T459 WeakPolarHBondContact CA-OG1 3.44Å; L456-T459 PolarHBondContact O-N 3.21Å; L456-T459 PolarHBondContact O-OG1 3.16Å; L456-F460 HydrophobicContact CD1-CD2 4.07Å; L456-F460 HydrophobicContact CD1-CE2 3.57Å; L456-F460 HydrophobicContact CD1-CZ 4.45Å; L456-F460 HydrophobicContact CD2-CE2 4.28Å; L456-F460 HydrophobicContact CG-CD2 3.92Å; L456-F460 HydrophobicContact CG-CE2 3.7Å; L456-F460 VanDerWaalsContact O-CD2 3.26Å; L456-F460 WeakPolarHBondContact O-CD2 3.19Å; L456-F460 PolarHBondContact O-N 3.41Å
457	V	89.6	Confident	80.3	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-64.4	-38.9	178.2	170.8	0	0	0	0	111.7	V453 W454 F460 R461	V453-V457 HydrophobicContact CG1-CG2 4.33Å; V453-V457 WeakPolarHBondContact O-CG2 3.46Å; V453-V457 PolarHBondContact O-N 3.02Å; W454-V457 PolarHBondContact O-N 3.23Å; V457-F460 PolarHBondContact O-N 2.85Å; V457-R461 WeakPolarHBondContact O-CB 3.33Å; V457-R461 WeakPolarHBondContact O-CG 3.42Å; V457-R461 PolarHBondContact O-N 3.39Å
458	E	84.1	Confident	78.4	Confident	20 Å²	20	80.7 Å²	80.7	9%	0.093	43%	0.427	C	S	.	.	H	α-helix	trans	-62.1	-45.5	174.5	-172.1	179.7	-155.9	0	0	110.9	W454 I455 L456 F460 R461 M462 P473 R536	W454-E458 WeakPolarHBondContact O-CB 3.39Å; W454-E458 PolarHBondContact O-N 3.37Å; I455-E458 PolarHBondContact O-N 3.32Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.88Å; E458-F460 PolarHBondContact O-N 3.27Å; E458-R461 PolarHBondContact O-N 2.9Å; E458-M462 HydrophobicContact CG-CE 3.88Å; E458-M462 HydrophobicContact CG-SD 4.28Å; E458-M462 WeakPolarHBondContact O-CG 3.49Å; E458-M462 PolarHBondContact O-N 3.22Å; E458-P473 WeakPolarHBondContact OE1-CG 3.49Å; E458-R536 IonicContact OE1-NH1 2.63Å; E458-R536 IonicContact OE2-CZ 2.96Å; E458-R536 IonicContact OE2-NH1 3.61Å; E458-R536 PolarHBondContact OE2-NH1 3.3Å; E458-R536 IonicContact OE2-NH2 2.66Å; E458-R536 PolarHBondContact OE2-NH2 3.06Å
459	T	82.7	Confident	76.5	Confident	69 Å²	69	83.2 Å²	83.2	42%	0.423	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.8	53.1	0	0	0	0	112.9	I455 L456 M462	I455-T459 HydrophobicContact CG2-CG2 4.49Å; I455-T459 WeakPolarHBondContact O-CG2 3.29Å; I455-T459 PolarHBondContact O-N 2.64Å; I455-T459 PolarHBondContact O-OG1 3.06Å; L456-T459 WeakPolarHBondContact CA-OG1 3.44Å; L456-T459 PolarHBondContact O-N 3.21Å; L456-T459 PolarHBondContact O-OG1 3.16Å; T459-M462 PolarHBondContact O-N 3.49Å
460	F	84.5	Confident	74.8	Confident	151 Å²	151	88 Å²	88	66%	0.662	46%	0.46	S	S	*	.	H	α-helix	trans	-68.4	-33.8	175.5	-82.5	-62.7	0	0	0	113.4	L456 V457 E458 M462	L456-F460 HydrophobicContact CD1-CD2 4.07Å; L456-F460 HydrophobicContact CD1-CE2 3.57Å; L456-F460 HydrophobicContact CD1-CZ 4.45Å; L456-F460 HydrophobicContact CD2-CE2 4.28Å; L456-F460 HydrophobicContact CG-CD2 3.92Å; L456-F460 HydrophobicContact CG-CE2 3.7Å; L456-F460 VanDerWaalsContact O-CD2 3.26Å; L456-F460 WeakPolarHBondContact O-CD2 3.19Å; L456-F460 PolarHBondContact O-N 3.41Å; V457-F460 PolarHBondContact O-N 2.85Å; E458-F460 PolarHBondContact O-N 3.27Å; F460-M462 VanDerWaalsContact C-N 3.32Å
461	R	82.4	Confident	73.4	Confident	167 Å²	167	91.4 Å²	91.4	63%	0.63	47%	0.471	S	S	*	.	H	α-helix	trans	-72.5	-28	176.2	-75.9	-168.5	-70.8	179.9	-3.6	112.4	V457 E458 N463	V457-R461 WeakPolarHBondContact O-CB 3.33Å; V457-R461 WeakPolarHBondContact O-CG 3.42Å; V457-R461 PolarHBondContact O-N 3.39Å; E458-R461 PolarHBondContact O-N 2.9Å; R461-N463 PolarHBondContact O-N 3.4Å
462	M	73.6	Confident	72.4	Confident	70 Å²	70	92.8 Å²	92.8	35%	0.345	48%	0.48	S	S	.	.			trans	-78.5	59	173.8	-68.9	179.6	172.5	0	0	111.2	E458 T459 F460 S464 Y466	E458-M462 HydrophobicContact CG-CE 3.88Å; E458-M462 HydrophobicContact CG-SD 4.28Å; E458-M462 WeakPolarHBondContact O-CG 3.49Å; E458-M462 PolarHBondContact O-N 3.22Å; T459-M462 PolarHBondContact O-N 3.49Å; F460-M462 VanDerWaalsContact C-N 3.32Å; M462-S464 PolarHBondContact O-N 3.47Å; M462-Y466 HydrophobicContact SD-CD2 3.94Å; M462-Y466 HydrophobicContact SD-CE2 4.26Å
463	N	60.3	Low	71.9	Confident	158 Å²	158	93.4 Å²	93.4	85%	0.845	48%	0.481	S	S	*	.			trans	-75.8	-6.3	-179	-150.3	25	0	0	0	113.1	R461	R461-N463 PolarHBondContact O-N 3.4Å
464	S	55.2	Low	71.5	Confident	111 Å²	111	94.6 Å²	94.6	78%	0.776	49%	0.488	S	S	*	.	S	Bend	trans	-118.8	60.9	-179.7	62.2	0	0	0	0	111.4	M462	M462-S464 PolarHBondContact O-N 3.47Å
465	G	55.6	Low	71.4	Confident	54 Å²	54	90.6 Å²	90.6	56%	0.557	48%	0.476	S	S	*	.			trans	69.2	146.6	178.7	0	0	0	0	0	113.6	S467	G465-S467 PolarHBondContact O-N 3.01Å
466	Y	53.4	Low	71.3	Confident	84 Å²	84	90.2 Å²	90.2	33%	0.329	47%	0.474	S	S	.	.			trans	-69.1	78.8	163.6	-166.2	-98.8	0	0	0	106.7	M462 W468 Y530	M462-Y466 HydrophobicContact SD-CD2 3.94Å; M462-Y466 HydrophobicContact SD-CE2 4.26Å; Y466-W468 PolarHBondContact O-N 2.97Å; Y466-W468 VanDerWaalsContact O-N 3.08Å; Y466-Y530 AromaticContact CE1-CE1 3.99Å; Y466-Y530 HydrophobicContact CE1-CE1 3.99Å; Y466-Y530 WeakPolarHBondContact CE1-OH 3.34Å; Y466-Y530 PolarHBondContact OH-OH 3.45Å
467	S	47.1	Very low	71.4	Confident	92 Å²	92	89.1 Å²	89.1	64%	0.643	47%	0.468	S	S	*	.			trans	-55.5	122.4	169.5	-173.7	0	0	0	0	105	G465 S469	G465-S467 PolarHBondContact O-N 3.01Å; S467-S469 PolarHBondContact O-N 3.25Å
468	W	53.1	Low	71.5	Confident	191 Å²	191	89.6 Å²	89.6	72%	0.723	47%	0.471	S	S	*	.			trans	-59.8	72.5	170.9	-60.1	82.9	0	0	0	107.7	Y466 E470 Y530	Y466-W468 PolarHBondContact O-N 2.97Å; Y466-W468 VanDerWaalsContact O-N 3.08Å; W468-E470 PolarHBondContact O-N 2.9Å; W468-Y530 AromaticContact CE3-CD1 3.74Å; W468-Y530 HydrophobicContact CE3-CD1 3.74Å; W468-Y530 AromaticContact CE3-CE1 3.6Å; W468-Y530 HydrophobicContact CE3-CE1 3.6Å; W468-Y530 HydrophobicContact CE3-CG 4.47Å; W468-Y530 HydrophobicContact CH2-CD1 4.47Å; W468-Y530 AromaticContact CZ3-CD1 3.38Å; W468-Y530 HydrophobicContact CZ3-CD1 3.38Å; W468-Y530 AromaticContact CZ3-CE1 3.6Å; W468-Y530 HydrophobicContact CZ3-CE1 3.6Å; W468-Y530 HydrophobicContact CZ3-CG 4.27Å
469	S	53.6	Low	71.9	Confident	55 Å²	55	89.7 Å²	89.7	39%	0.385	47%	0.471	S	S	.	.			trans	-62.9	110.5	174.2	160.7	0	0	0	0	104.2	S467 F471	S467-S469 PolarHBondContact O-N 3.25Å; S469-F471 PolarHBondContact O-N 2.92Å; S469-F471 PolarHBondContact OG-N 2.88Å; S469-F471 PolarHBondContact OG-O 3.43Å
470	E	56.9	Low	72.4	Confident	145 Å²	145	86.5 Å²	86.5	68%	0.678	45%	0.451	S	S	*	.	S	Bend	trans	-50.6	-19.6	170.6	-137.4	-179.9	160.7	0	0	111	W468	W468-E470 PolarHBondContact O-N 2.9Å
471	F	63.3	Low	72.8	Confident	163 Å²	163	82.6 Å²	82.6	72%	0.715	44%	0.44	S	S	*	.	S	Bend	trans	-91.3	121.9	176.1	-61.5	-78.9	0	0	0	112.7	S469	S469-F471 PolarHBondContact O-N 2.92Å; S469-F471 PolarHBondContact OG-N 2.88Å; S469-F471 PolarHBondContact OG-O 3.43Å
472	V	72.2	Confident	73.4	Confident	35 Å²	35	77.6 Å²	77.6	21%	0.212	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.4	129.6	167.3	-179.1	0	0	0	0	109.6	V474 Y476 I477 L519 L522	V472-V474 PolarHBondContact O-N 3.23Å; V472-Y476 HydrophobicContact CG1-CD1 3.55Å; V472-Y476 HydrophobicContact CG1-CE1 4.38Å; V472-Y476 HydrophobicContact CG1-CG 4.31Å; V472-I477 HydrophobicContact CG1-CD1 4.34Å; V472-I477 HydrophobicContact CG1-CG1 4Å; V472-L519 HydrophobicContact CG1-CD1 4.24Å; V472-L519 HydrophobicContact CG2-CD1 4.25Å; V472-L522 HydrophobicContact CG2-CD2 3.18Å; V472-L522 HydrophobicContact CG2-CG 4.24Å
473	P	81.1	Confident	74.4	Confident	31 Å²	31	74.3 Å²	74.3	20%	0.201	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-57.1	129.8	174.5	-24.6	33.7	0	0	0	111.2	E458 S475 Y476	E458-P473 WeakPolarHBondContact OE1-CG 3.49Å; P473-S475 PolarHBondContact O-N 3.49Å; P473-S475 VanDerWaalsContact O-N 3.14Å; P473-Y476 WeakPolarHBondContact O-CB 3.5Å; P473-Y476 PolarHBondContact O-N 2.74Å
474	V	85	Confident	76	Confident	113 Å²	113	67.1 Å²	67.1	69%	0.685	37%	0.373	S	S	*	.	H	α-helix	trans	-55.1	-35.4	177.3	177.2	0	0	0	0	111.1	V472 Y476 I477 V478	V472-V474 PolarHBondContact O-N 3.23Å; V474-Y476 VanDerWaalsContact C-N 3.27Å; V474-Y476 PolarHBondContact O-N 3.36Å; V474-I477 PolarHBondContact O-N 3.2Å; V474-V478 HydrophobicContact CG1-CG2 4.39Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 3.13Å
475	S	87.6	Confident	77.9	Confident	23 Å²	23	65.8 Å²	65.8	16%	0.161	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-38.2	174.7	53.2	0	0	0	0	113	W454 P473 V478 F479	W454-S475 PolarHBondContact NE1-OG 3.02Å; P473-S475 PolarHBondContact O-N 3.49Å; P473-S475 VanDerWaalsContact O-N 3.14Å; S475-V478 PolarHBondContact O-N 3.06Å; S475-F479 WeakPolarHBondContact O-CD2 3.34Å; S475-F479 PolarHBondContact O-N 2.91Å
476	Y	87.8	Confident	79.7	Confident	8 Å²	8	63.5 Å²	63.5	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-42.6	178	175.3	-104.3	0	0	0	111.5	V472 P473 V474 V478 F479 L480 A515 L519 V533 R536	V472-Y476 HydrophobicContact CG1-CD1 3.55Å; V472-Y476 HydrophobicContact CG1-CE1 4.38Å; V472-Y476 HydrophobicContact CG1-CG 4.31Å; P473-Y476 WeakPolarHBondContact O-CB 3.5Å; P473-Y476 PolarHBondContact O-N 2.74Å; V474-Y476 VanDerWaalsContact C-N 3.27Å; V474-Y476 PolarHBondContact O-N 3.36Å; Y476-V478 VanDerWaalsContact C-N 3.33Å; Y476-V478 PolarHBondContact O-N 3.28Å; Y476-F479 PolarHBondContact O-N 2.73Å; Y476-L480 HydrophobicContact CE1-CD2 4.18Å; Y476-L480 VanDerWaalsContact O-CB 3.26Å; Y476-L480 WeakPolarHBondContact O-CB 3.47Å; Y476-L480 PolarHBondContact O-N 2.66Å; Y476-A515 WeakPolarHBondContact OH-CB 3.4Å; Y476-A515 PolarHBondContact OH-O 2.95Å; Y476-L519 HydrophobicContact CE1-CD1 4.5Å; Y476-V533 HydrophobicContact CE1-CG1 4.42Å; Y476-R536 HydrophobicContact CD2-CB 4.18Å; Y476-R536 HydrophobicContact CE2-CB 3.91Å
477	I	89.4	Confident	81.6	Confident	70 Å²	70	60 Å²	60	36%	0.359	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.6	-57.9	174.3	0	0	0	110.3	V472 V474 L480 T481	V472-I477 HydrophobicContact CG1-CD1 4.34Å; V472-I477 HydrophobicContact CG1-CG1 4Å; V474-I477 PolarHBondContact O-N 3.2Å; I477-L480 PolarHBondContact O-N 2.98Å; I477-T481 HydrophobicContact CG2-CG2 4.43Å; I477-T481 VanDerWaalsContact O-CG2 3.31Å; I477-T481 WeakPolarHBondContact O-CG2 2.79Å; I477-T481 PolarHBondContact O-N 3.37Å; I477-T481 PolarHBondContact O-OG1 3.1Å
478	V	92.9	Very high	83.8	Confident	72 Å²	72	61.3 Å²	61.3	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-49.6	177.2	172.9	0	0	0	0	111.3	V474 S475 Y476 L480 T481 I482	V474-V478 HydrophobicContact CG1-CG2 4.39Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 3.13Å; S475-V478 PolarHBondContact O-N 3.06Å; Y476-V478 VanDerWaalsContact C-N 3.33Å; Y476-V478 PolarHBondContact O-N 3.28Å; V478-L480 PolarHBondContact O-N 3.41Å; V478-T481 PolarHBondContact O-N 3.04Å; V478-T481 PolarHBondContact O-OG1 3.28Å; V478-I482 HydrophobicContact CG1-CD1 4.09Å; V478-I482 WeakPolarHBondContact O-CG1 3.39Å; V478-I482 PolarHBondContact O-N 2.77Å; V478-I482 VanDerWaalsContact O-N 3.15Å
479	F	93	Very high	85.7	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-39.1	178.4	-71.6	-63.1	0	0	0	112.6	V447 I450 N451 W454 S475 Y476 T481 I482 Y483	V447-F479 HydrophobicContact CG1-CD1 4.13Å; V447-F479 HydrophobicContact CG1-CE1 4.37Å; I450-F479 HydrophobicContact CG2-CE1 4.41Å; I450-F479 HydrophobicContact CG2-CZ 4.16Å; N451-F479 HydrophobicContact CB-CD1 3.71Å; N451-F479 HydrophobicContact CB-CD2 4.09Å; N451-F479 HydrophobicContact CB-CE1 3.65Å; N451-F479 HydrophobicContact CB-CE2 4.05Å; N451-F479 HydrophobicContact CB-CG 3.95Å; N451-F479 HydrophobicContact CB-CZ 3.84Å; N451-F479 WeakPolarHBondContact OD1-CD2 3.39Å; W454-F479 HydrophobicContact CB-CE2 4.23Å; W454-F479 HydrophobicContact CB-CZ 4.47Å; W454-F479 HydrophobicContact CG-CE2 4.21Å; S475-F479 WeakPolarHBondContact O-CD2 3.34Å; S475-F479 PolarHBondContact O-N 2.91Å; Y476-F479 PolarHBondContact O-N 2.73Å; F479-T481 PolarHBondContact O-N 3.2Å; F479-I482 HydrophobicContact CD1-CD1 4.48Å; F479-I482 PolarHBondContact O-N 3.05Å; F479-Y483 HydrophobicContact CB-CE2 4.12Å; F479-Y483 WeakPolarHBondContact O-CD2 3.37Å; F479-Y483 PolarHBondContact O-N 3.43Å
480	L	92.1	Very high	87.5	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-40.1	178.1	-178.5	58	0	0	0	112.2	Y476 I477 V478 Y483 G484 T512 A515 F516 L519	Y476-L480 HydrophobicContact CE1-CD2 4.18Å; Y476-L480 VanDerWaalsContact O-CB 3.26Å; Y476-L480 WeakPolarHBondContact O-CB 3.47Å; Y476-L480 PolarHBondContact O-N 2.66Å; I477-L480 PolarHBondContact O-N 2.98Å; V478-L480 PolarHBondContact O-N 3.41Å; L480-Y483 PolarHBondContact O-N 3.25Å; L480-G484 PolarHBondContact O-N 3.16Å; L480-T512 HydrophobicContact CD1-CG2 4.33Å; L480-A515 HydrophobicContact CD1-CB 3.57Å; L480-A515 HydrophobicContact CD2-CB 4.45Å; L480-F516 HydrophobicContact CD1-CD2 3.85Å; L480-F516 HydrophobicContact CD1-CE2 3.81Å; L480-F516 HydrophobicContact CD1-CG 4.37Å; L480-F516 HydrophobicContact CD1-CZ 4.31Å; L480-F516 HydrophobicContact CD2-CD1 4.14Å; L480-F516 HydrophobicContact CD2-CE1 4.27Å; L480-F516 HydrophobicContact CD2-CG 4.27Å; L480-F516 HydrophobicContact CG-CD1 4.43Å; L480-F516 HydrophobicContact CG-CD2 4.23Å; L480-F516 HydrophobicContact CG-CE1 4.19Å; L480-F516 HydrophobicContact CG-CE2 3.96Å; L480-F516 HydrophobicContact CG-CG 4.44Å; L480-F516 HydrophobicContact CG-CZ 3.94Å; L480-L519 HydrophobicContact CD2-CB 4.26Å; L480-L519 HydrophobicContact CD2-CD2 3.91Å
481	T	93.4	Very high	89.1	Confident	69 Å²	69	48.8 Å²	48.8	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-40.7	175.8	51	0	0	0	0	111.7	I477 V478 F479 Y483 G484 V485	I477-T481 HydrophobicContact CG2-CG2 4.43Å; I477-T481 VanDerWaalsContact O-CG2 3.31Å; I477-T481 WeakPolarHBondContact O-CG2 2.79Å; I477-T481 PolarHBondContact O-N 3.37Å; I477-T481 PolarHBondContact O-OG1 3.1Å; V478-T481 PolarHBondContact O-N 3.04Å; V478-T481 PolarHBondContact O-OG1 3.28Å; F479-T481 PolarHBondContact O-N 3.2Å; T481-Y483 PolarHBondContact O-N 2.97Å; T481-G484 PolarHBondContact O-N 3.47Å; T481-V485 WeakPolarHBondContact O-CG2 3.39Å; T481-V485 PolarHBondContact O-N 3.36Å
482	I	94.9	Very high	90.4	Very high	62 Å²	62	42.1 Å²	42.1	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-46.7	173.9	-64.8	164	0	0	0	110.9	M444 V447 V478 F479 V485 E486	M444-I482 HydrophobicContact CE-CG2 4.12Å; V447-I482 HydrophobicContact CG1-CG2 3.95Å; V447-I482 HydrophobicContact CG2-CG2 4.5Å; V478-I482 HydrophobicContact CG1-CD1 4.09Å; V478-I482 WeakPolarHBondContact O-CG1 3.39Å; V478-I482 PolarHBondContact O-N 2.77Å; V478-I482 VanDerWaalsContact O-N 3.15Å; F479-I482 HydrophobicContact CD1-CD1 4.48Å; F479-I482 PolarHBondContact O-N 3.05Å; I482-V485 PolarHBondContact O-N 3.48Å; I482-E486 WeakPolarHBondContact O-CB 3.49Å; I482-E486 PolarHBondContact O-N 3Å
483	Y	94	Very high	91	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-35.9	177.2	-61.2	-41.7	0	0	0	113.1	M444 V447 V448 N451 F479 L480 T481 E486 V487 Q539	M444-Y483 HydrophobicContact CE-CD1 3.94Å; M444-Y483 HydrophobicContact CE-CE1 4.2Å; V447-Y483 HydrophobicContact CG1-CE1 4.12Å; V448-Y483 HydrophobicContact CG2-CE1 3.87Å; N451-Y483 PolarHBondContact ND2-OH 2.85Å; F479-Y483 HydrophobicContact CB-CE2 4.12Å; F479-Y483 WeakPolarHBondContact O-CD2 3.37Å; F479-Y483 PolarHBondContact O-N 3.43Å; L480-Y483 PolarHBondContact O-N 3.25Å; T481-Y483 PolarHBondContact O-N 2.97Å; Y483-E486 WeakPolarHBondContact O-CB 3.43Å; Y483-E486 PolarHBondContact O-N 3.49Å; Y483-V487 WeakPolarHBondContact O-CG2 3.47Å; Y483-V487 PolarHBondContact O-N 3.17Å; Y483-Q539 HydrophobicContact CE2-CB 4.33Å; Y483-Q539 HydrophobicContact CE2-CG 4.46Å; Y483-Q539 VanDerWaalsContact CE2-OE1 3.3Å
484	G	94	Very high	91.2	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173.6	0	0	0	0	0	112	L480 T481 V487 L488	L480-G484 PolarHBondContact O-N 3.16Å; T481-G484 PolarHBondContact O-N 3.47Å; G484-V487 PolarHBondContact O-N 3.47Å; G484-L488 WeakPolarHBondContact O-CG 3.45Å; G484-L488 PolarHBondContact O-N 3.33Å
485	V	95.1	Very high	91.2	Very high	82 Å²	82	36.2 Å²	36.2	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-42.4	177	172.4	0	0	0	0	111.2	T481 I482 V487 L488 L489	T481-V485 WeakPolarHBondContact O-CG2 3.39Å; T481-V485 PolarHBondContact O-N 3.36Å; I482-V485 PolarHBondContact O-N 3.48Å; V485-V487 PolarHBondContact O-N 2.83Å; V485-L488 PolarHBondContact O-N 3.03Å; V485-L489 HydrophobicContact CG1-CD1 3.83Å; V485-L489 HydrophobicContact CG1-CG 4.21Å; V485-L489 WeakPolarHBondContact O-CB 3.13Å; V485-L489 VanDerWaalsContact O-CG 3.3Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.31Å
486	E	94.1	Very high	91.1	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-53.9	-51.3	174.5	-179.6	-152.9	174.5	0	0	111.7	F440 M444 I482 Y483 L488 L489 K490 R542	F440-E486 HydrophobicContact CE1-CG 4.4Å; F440-E486 HydrophobicContact CZ-CG 3.99Å; M444-E486 HydrophobicContact CE-CB 3.88Å; M444-E486 HydrophobicContact CE-CG 3.8Å; M444-E486 VanDerWaalsContact CE-OE2 3.29Å; M444-E486 WeakPolarHBondContact CE-OE2 3.3Å; M444-E486 HydrophobicContact CG-CG 3.98Å; M444-E486 HydrophobicContact SD-CB 4.09Å; M444-E486 HydrophobicContact SD-CG 3.88Å; I482-E486 WeakPolarHBondContact O-CB 3.49Å; I482-E486 PolarHBondContact O-N 3Å; Y483-E486 WeakPolarHBondContact O-CB 3.43Å; Y483-E486 PolarHBondContact O-N 3.49Å; E486-L488 PolarHBondContact O-N 2.88Å; E486-L489 PolarHBondContact O-N 2.97Å; E486-K490 HydrophobicContact CG-CD 4.3Å; E486-K490 WeakPolarHBondContact O-CB 3.38Å; E486-K490 WeakPolarHBondContact O-CG 3.31Å; E486-K490 PolarHBondContact O-N 3.44Å; E486-K490 VanDerWaalsContact OE1-CE 3.31Å; E486-K490 WeakPolarHBondContact OE1-CE 3.24Å; E486-K490 IonicContact OE1-NZ 3.87Å; E486-K490 PolarHBondContact OE1-NZ 3.49Å; E486-R542 IonicContact OE2-NH1 3.52Å; E486-R542 PolarHBondContact OE2-NH1 3.14Å
487	V	93.7	Very high	90.8	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-43.4	-178.9	168.1	0	0	0	0	110.9	Y483 G484 V485 K490 I491 F509 T512	Y483-V487 WeakPolarHBondContact O-CG2 3.47Å; Y483-V487 PolarHBondContact O-N 3.17Å; G484-V487 PolarHBondContact O-N 3.47Å; V485-V487 PolarHBondContact O-N 2.83Å; V487-K490 PolarHBondContact O-N 3.19Å; V487-I491 HydrophobicContact CG1-CD1 3.71Å; V487-I491 HydrophobicContact CG1-CG1 4.45Å; V487-I491 VanDerWaalsContact O-CG1 3.28Å; V487-I491 WeakPolarHBondContact O-CG1 3.44Å; V487-I491 PolarHBondContact O-N 3.3Å; V487-F509 HydrophobicContact CG1-CD2 3.7Å; V487-F509 HydrophobicContact CG1-CE2 4.46Å; V487-T512 HydrophobicContact CG2-CG2 4.4Å
488	L	93.6	Very high	90.4	Very high	121 Å²	121	44.3 Å²	44.3	63%	0.634	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-44.7	177.5	-69.8	167.7	0	0	0	111.9	G484 V485 E486 K490 I491 A492	G484-L488 WeakPolarHBondContact O-CG 3.45Å; G484-L488 PolarHBondContact O-N 3.33Å; V485-L488 PolarHBondContact O-N 3.03Å; E486-L488 PolarHBondContact O-N 2.88Å; L488-K490 PolarHBondContact O-N 2.89Å; L488-I491 PolarHBondContact O-N 3.09Å; L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.5Å; L488-A492 PolarHBondContact O-N 3.1Å
489	L	92.5	Very high	90.1	Very high	61 Å²	61	40.9 Å²	40.9	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-43.9	176.3	-72.7	173	0	0	0	111.4	I431 V435 F440 V485 E486 A492 G493	I431-L489 HydrophobicContact CG2-CD2 4.31Å; I431-L489 WeakPolarHBondContact CG2-O 3.38Å; V435-L489 HydrophobicContact CG2-CB 4.22Å; F440-L489 HydrophobicContact CE2-CD1 4.44Å; V485-L489 HydrophobicContact CG1-CD1 3.83Å; V485-L489 HydrophobicContact CG1-CG 4.21Å; V485-L489 WeakPolarHBondContact O-CB 3.13Å; V485-L489 VanDerWaalsContact O-CG 3.3Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.31Å; E486-L489 PolarHBondContact O-N 2.97Å; L489-A492 PolarHBondContact O-N 3.49Å; L489-G493 PolarHBondContact O-N 3.41Å
490	K	90.7	Very high	89.8	Confident	28 Å²	28	43.8 Å²	43.8	12%	0.122	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-43.3	178.2	-77.1	179.4	172.9	173.7	0	112.6	V435 F440 E486 V487 L488 A492 G493 L494 Y499 D508	V435-K490 HydrophobicContact CG1-CB 4.38Å; V435-K490 HydrophobicContact CG1-CG 3.83Å; F440-K490 HydrophobicContact CE1-CG 4.22Å; E486-K490 HydrophobicContact CG-CD 4.3Å; E486-K490 WeakPolarHBondContact O-CB 3.38Å; E486-K490 WeakPolarHBondContact O-CG 3.31Å; E486-K490 PolarHBondContact O-N 3.44Å; E486-K490 VanDerWaalsContact OE1-CE 3.31Å; E486-K490 WeakPolarHBondContact OE1-CE 3.24Å; E486-K490 IonicContact OE1-NZ 3.87Å; E486-K490 PolarHBondContact OE1-NZ 3.49Å; V487-K490 PolarHBondContact O-N 3.19Å; L488-K490 PolarHBondContact O-N 2.89Å; K490-A492 VanDerWaalsContact C-N 3.35Å; K490-G493 PolarHBondContact O-N 3.46Å; K490-L494 WeakPolarHBondContact O-CB 3.38Å; K490-L494 PolarHBondContact O-N 2.76Å; K490-Y499 HydrophobicContact CB-CD2 3.69Å; K490-Y499 HydrophobicContact CB-CE2 3.46Å; K490-Y499 VanDerWaalsContact CB-CE2 3.46Å; K490-Y499 HydrophobicContact CD-CE2 3.94Å; K490-Y499 HydrophobicContact CG-CE2 4.35Å; K490-D508 IonicContact NZ-OD2 3.21Å
491	I	91.4	Very high	89.2	Confident	39 Å²	39	47.2 Å²	47.2	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.9	-68.4	168.6	0	0	0	110.4	V487 L488 G495 P496 Y499 F509	V487-I491 HydrophobicContact CG1-CD1 3.71Å; V487-I491 HydrophobicContact CG1-CG1 4.45Å; V487-I491 VanDerWaalsContact O-CG1 3.28Å; V487-I491 WeakPolarHBondContact O-CG1 3.44Å; V487-I491 PolarHBondContact O-N 3.3Å; L488-I491 PolarHBondContact O-N 3.09Å; I491-G495 CarbonylContact O-C 3.46Å; I491-G495 WeakPolarHBondContact O-CA 3.34Å; I491-G495 PolarHBondContact O-N 2.93Å; I491-P496 HydrophobicContact CG2-CB 4.47Å; I491-Y499 HydrophobicContact CD1-CD1 4.4Å; I491-Y499 HydrophobicContact CD1-CE1 4.35Å; I491-Y499 HydrophobicContact CG1-CD1 3.77Å; I491-Y499 HydrophobicContact CG1-CD2 3.98Å; I491-Y499 HydrophobicContact CG1-CE1 4.04Å; I491-Y499 HydrophobicContact CG1-CE2 4.2Å; I491-Y499 HydrophobicContact CG1-CG 3.75Å; I491-F509 HydrophobicContact CD1-CD2 4.12Å; I491-F509 HydrophobicContact CD1-CE2 4.21Å
492	A	89.3	Confident	88.6	Confident	23 Å²	23	45.9 Å²	45.9	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-44.3	176.8	0	0	0	0	0	112.7	W416 F428 I431 L488 L489 K490	W416-A492 WeakPolarHBondContact CZ2-O 3.49Å; W416-A492 PolarHBondContact NE1-O 3.11Å; F428-A492 HydrophobicContact CD1-CB 4.34Å; F428-A492 HydrophobicContact CE1-CB 4Å; I431-A492 HydrophobicContact CG2-CB 4.32Å; L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.5Å; L488-A492 PolarHBondContact O-N 3.1Å; L489-A492 PolarHBondContact O-N 3.49Å; K490-A492 VanDerWaalsContact C-N 3.35Å
493	G	86.2	Confident	88	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-77.9	-39.3	-175.6	0	0	0	0	0	114.8	H432 L489 K490	H432-G493 PolarHBondContact ND1-O 3.26Å; L489-G493 PolarHBondContact O-N 3.41Å; K490-G493 PolarHBondContact O-N 3.46Å
494	L	84.2	Confident	87.5	Confident	52 Å²	52	47.4 Å²	47.4	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-90.6	-26	-179.8	-62.5	170.3	0	0	0	112.2	V435 K490 A498 Y499	V435-L494 HydrophobicContact CG1-CD1 4.27Å; V435-L494 HydrophobicContact CG1-CG 4.12Å; K490-L494 WeakPolarHBondContact O-CB 3.38Å; K490-L494 PolarHBondContact O-N 2.76Å; L494-A498 WeakPolarHBondContact O-CB 3.39Å; L494-Y499 HydrophobicContact CD1-CD2 4.47Å
495	G	85.2	Confident	87.3	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	28%	0.284	C	S	.	.			trans	86.8	150.1	-168.6	0	0	0	0	0	112	I491 L497 A498 Y499	I491-G495 CarbonylContact O-C 3.46Å; I491-G495 WeakPolarHBondContact O-CA 3.34Å; I491-G495 PolarHBondContact O-N 2.93Å; G495-L497 VanDerWaalsContact C-N 3.33Å; G495-L497 PolarHBondContact O-N 3.43Å; G495-A498 PolarHBondContact O-N 2.91Å; G495-Y499 VanDerWaalsContact O-CB 3.29Å; G495-Y499 WeakPolarHBondContact O-CB 3.25Å; G495-Y499 PolarHBondContact O-N 3Å
496	P	85.2	Confident	87	Confident	64 Å²	64	48.1 Å²	48.1	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-38.9	-173.7	21.3	-31.6	0	0	0	112.7	I491 Y499 F500	I491-P496 HydrophobicContact CG2-CB 4.47Å; P496-Y499 PolarHBondContact O-N 2.9Å; P496-F500 HydrophobicContact CB-CD2 4.46Å; P496-F500 HydrophobicContact CB-CE2 4.45Å; P496-F500 WeakPolarHBondContact O-CD2 3.43Å; P496-F500 PolarHBondContact O-N 3.08Å
497	L	81.5	Confident	86.7	Confident	163 Å²	163	50.6 Å²	50.6	85%	0.853	29%	0.291	S	S	*	.	H	α-helix	trans	-66.5	-39.8	-179.1	-70.6	169.2	0	0	0	113.1	G495 S501	G495-L497 VanDerWaalsContact C-N 3.33Å; G495-L497 PolarHBondContact O-N 3.43Å; L497-S501 PolarHBondContact O-N 2.88Å
498	A	81.4	Confident	86.5	Confident	43 Å²	43	50.3 Å²	50.3	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-81.1	-27.5	177.1	0	0	0	0	0	112.1	L494 G495 S501	L494-A498 WeakPolarHBondContact O-CB 3.39Å; G495-A498 PolarHBondContact O-N 2.91Å; A498-S501 PolarHBondContact O-OG 3.31Å
499	Y	86.9	Confident	86.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-50.7	174.3	-178.3	-90.6	0	0	0	111.5	K490 I491 L494 G495 P496 S501 S502 N505 F509	K490-Y499 HydrophobicContact CB-CD2 3.69Å; K490-Y499 HydrophobicContact CB-CE2 3.46Å; K490-Y499 VanDerWaalsContact CB-CE2 3.46Å; K490-Y499 HydrophobicContact CD-CE2 3.94Å; K490-Y499 HydrophobicContact CG-CE2 4.35Å; I491-Y499 HydrophobicContact CD1-CD1 4.4Å; I491-Y499 HydrophobicContact CD1-CE1 4.35Å; I491-Y499 HydrophobicContact CG1-CD1 3.77Å; I491-Y499 HydrophobicContact CG1-CD2 3.98Å; I491-Y499 HydrophobicContact CG1-CE1 4.04Å; I491-Y499 HydrophobicContact CG1-CE2 4.2Å; I491-Y499 HydrophobicContact CG1-CG 3.75Å; L494-Y499 HydrophobicContact CD1-CD2 4.47Å; G495-Y499 VanDerWaalsContact O-CB 3.29Å; G495-Y499 WeakPolarHBondContact O-CB 3.25Å; G495-Y499 PolarHBondContact O-N 3Å; P496-Y499 PolarHBondContact O-N 2.9Å; Y499-S501 VanDerWaalsContact C-N 3.26Å; Y499-S501 PolarHBondContact O-N 3.3Å; Y499-S502 PolarHBondContact O-N 3.33Å; Y499-N505 HydrophobicContact CD1-CB 4.29Å; Y499-N505 HydrophobicContact CD2-CB 4.05Å; Y499-N505 HydrophobicContact CE1-CB 3.96Å; Y499-N505 WeakPolarHBondContact CE1-O 3.38Å; Y499-N505 HydrophobicContact CE2-CB 3.73Å; Y499-N505 HydrophobicContact CG-CB 4.32Å; Y499-N505 VanDerWaalsContact O-CB 3.29Å; Y499-N505 WeakPolarHBondContact O-CB 3.45Å; Y499-N505 PolarHBondContact OH-O 3.33Å; Y499-F509 HydrophobicContact CE1-CB 3.87Å; Y499-F509 HydrophobicContact CE1-CD2 4.49Å; Y499-F509 HydrophobicContact CE1-CG 4.44Å
500	F	87.2	Confident	86.4	Confident	83 Å²	83	46.7 Å²	46.7	36%	0.364	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.3	-178.4	-69.1	-62.1	0	0	0	114.2	P496 S502 L506 F509	P496-F500 HydrophobicContact CB-CD2 4.46Å; P496-F500 HydrophobicContact CB-CE2 4.45Å; P496-F500 WeakPolarHBondContact O-CD2 3.43Å; P496-F500 PolarHBondContact O-N 3.08Å; F500-S502 VanDerWaalsContact C-N 3.3Å; F500-L506 HydrophobicContact CD1-CD1 3.88Å; F500-L506 HydrophobicContact CE1-CD1 4.25Å; F500-F509 HydrophobicContact CE1-CB 4.38Å; F500-F509 AromaticContact CE1-CD1 3.74Å; F500-F509 HydrophobicContact CE1-CD1 3.74Å; F500-F509 HydrophobicContact CE1-CD2 4.23Å; F500-F509 HydrophobicContact CE1-CE1 4.01Å; F500-F509 AromaticContact CE1-CG 3.85Å; F500-F509 HydrophobicContact CE1-CG 3.85Å; F500-F509 HydrophobicContact CE1-CZ 4.4Å; F500-F509 HydrophobicContact CZ-CD1 4.25Å; F500-F509 HydrophobicContact CZ-CD2 4.23Å; F500-F509 HydrophobicContact CZ-CE1 4.14Å; F500-F509 HydrophobicContact CZ-CE2 4.15Å; F500-F509 HydrophobicContact CZ-CG 4.3Å; F500-F509 HydrophobicContact CZ-CZ 4.1Å
501	S	79.1	Confident	86.4	Confident	74 Å²	74	46.5 Å²	46.5	52%	0.517	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.4	172.8	71.7	0	0	0	0	112.3	L497 A498 Y499	L497-S501 PolarHBondContact O-N 2.88Å; A498-S501 PolarHBondContact O-OG 3.31Å; Y499-S501 VanDerWaalsContact C-N 3.26Å; Y499-S501 PolarHBondContact O-N 3.3Å
502	S	80.1	Confident	86.5	Confident	42 Å²	42	44.9 Å²	44.9	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-89.1	120	178	175.8	0	0	0	0	111.2	Y499 F500 W504 N505 L506	Y499-S502 PolarHBondContact O-N 3.33Å; F500-S502 VanDerWaalsContact C-N 3.3Å; S502-W504 PolarHBondContact O-N 2.91Å; S502-N505 PolarHBondContact O-N 2.97Å; S502-N505 VanDerWaalsContact O-N 3.13Å; S502-L506 PolarHBondContact O-N 3.09Å
503	G	82.1	Confident	86.6	Confident	49 Å²	49	47.1 Å²	47.1	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-31.4	178.7	0	0	0	0	0	113.5	L506 F507	G503-L506 PolarHBondContact O-N 3Å; G503-F507 WeakPolarHBondContact O-CB 3.47Å; G503-F507 PolarHBondContact O-N 3.45Å
504	W	84.7	Confident	86.8	Confident	45 Å²	45	53.2 Å²	53.2	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-74.3	-32	178.4	-77.3	108.6	0	0	0	113.9	S502 D508 K545 R551 L554 D555	S502-W504 PolarHBondContact O-N 2.91Å; W504-D508 VanDerWaalsContact O-CG 3.32Å; W504-D508 PolarHBondContact O-N 3.31Å; W504-D508 VanDerWaalsContact O-N 3.13Å; W504-K545 HydrophobicContact CD2-CD 4.27Å; W504-K545 HydrophobicContact CD2-CG 3.88Å; W504-K545 HydrophobicContact CE3-CD 3.96Å; W504-K545 HydrophobicContact CE3-CG 3.64Å; W504-K545 HydrophobicContact CG-CG 4.49Å; W504-K545 HydrophobicContact CH2-CG 4.02Å; W504-K545 HydrophobicContact CZ2-CG 4.4Å; W504-K545 HydrophobicContact CZ3-CD 4.36Å; W504-K545 HydrophobicContact CZ3-CG 3.67Å; W504-K545 PolarHBondContact O-NZ 3.36Å; W504-R551 HydrophobicContact CZ2-CB 4.5Å; W504-R551 HydrophobicContact CZ2-CG 4.06Å; W504-L554 HydrophobicContact CH2-CB 4.42Å; W504-L554 HydrophobicContact CH2-CD1 3.44Å; W504-L554 VanDerWaalsContact CH2-CD1 3.44Å; W504-L554 HydrophobicContact CZ2-CB 4.22Å; W504-L554 HydrophobicContact CZ2-CD1 4.01Å; W504-L554 HydrophobicContact CZ3-CD1 4.42Å; W504-D555 PolarHBondContact NE1-OD1 3.14Å
505	N	88.8	Confident	87.1	Confident	24 Å²	24	51 Å²	51	13%	0.128	29%	0.291	C	S	.	.	H	α-helix	trans	-75.5	-37	172.7	-74.1	-19.8	0	0	0	110.7	Y499 S502 F507 D508 F509	Y499-N505 HydrophobicContact CD1-CB 4.29Å; Y499-N505 HydrophobicContact CD2-CB 4.05Å; Y499-N505 HydrophobicContact CE1-CB 3.96Å; Y499-N505 WeakPolarHBondContact CE1-O 3.38Å; Y499-N505 HydrophobicContact CE2-CB 3.73Å; Y499-N505 HydrophobicContact CG-CB 4.32Å; Y499-N505 VanDerWaalsContact O-CB 3.29Å; Y499-N505 WeakPolarHBondContact O-CB 3.45Å; Y499-N505 PolarHBondContact OH-O 3.33Å; S502-N505 PolarHBondContact O-N 2.97Å; S502-N505 VanDerWaalsContact O-N 3.13Å; N505-F507 VanDerWaalsContact C-N 3.33Å; N505-D508 PolarHBondContact O-N 2.9Å; N505-F509 WeakPolarHBondContact O-CB 3.32Å; N505-F509 PolarHBondContact O-N 2.97Å
506	L	89.9	Confident	87.4	Confident	80 Å²	80	54.7 Å²	54.7	42%	0.419	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-43.1	170.7	179.1	64.6	0	0	0	111.2	F500 S502 G503 F509 S510	F500-L506 HydrophobicContact CD1-CD1 3.88Å; F500-L506 HydrophobicContact CE1-CD1 4.25Å; S502-L506 PolarHBondContact O-N 3.09Å; G503-L506 PolarHBondContact O-N 3Å; L506-F509 PolarHBondContact O-N 3.14Å; L506-S510 WeakPolarHBondContact O-CB 3.24Å; L506-S510 PolarHBondContact O-N 2.87Å; L506-S510 PolarHBondContact O-OG 3.22Å
507	F	88.1	Confident	87.7	Confident	60 Å²	60	56.1 Å²	56.1	26%	0.263	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-48.6	173.9	176	-98.4	0	0	0	112.3	G503 N505 F509 S510 V511 L541 R542	G503-F507 WeakPolarHBondContact O-CB 3.47Å; G503-F507 PolarHBondContact O-N 3.45Å; N505-F507 VanDerWaalsContact C-N 3.33Å; F507-F509 VanDerWaalsContact C-N 3.3Å; F507-F509 PolarHBondContact O-N 3.48Å; F507-S510 PolarHBondContact O-N 3.42Å; F507-V511 HydrophobicContact CD1-CG2 4.37Å; F507-V511 HydrophobicContact CD2-CG2 4.15Å; F507-V511 HydrophobicContact CE1-CG2 3.97Å; F507-V511 HydrophobicContact CE2-CG2 3.72Å; F507-V511 HydrophobicContact CG-CG2 4.47Å; F507-V511 HydrophobicContact CZ-CG2 3.62Å; F507-V511 WeakPolarHBondContact O-CG2 3.29Å; F507-V511 PolarHBondContact O-N 3.01Å; F507-L541 HydrophobicContact CE1-CB 4.13Å; F507-L541 HydrophobicContact CZ-CB 3.92Å; F507-L541 HydrophobicContact CZ-CD1 3.91Å; F507-R542 HydrophobicContact CE1-CG 4.48Å
508	D	88.9	Confident	87.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-42.3	178.2	-70.4	-11.3	0	0	0	111.7	K490 W504 N505 T512 R542 K545	K490-D508 IonicContact NZ-OD2 3.21Å; W504-D508 VanDerWaalsContact O-CG 3.32Å; W504-D508 PolarHBondContact O-N 3.31Å; W504-D508 VanDerWaalsContact O-N 3.13Å; N505-D508 PolarHBondContact O-N 2.9Å; D508-T512 VanDerWaalsContact O-CB 3.28Å; D508-T512 WeakPolarHBondContact O-CB 3.42Å; D508-T512 PolarHBondContact O-N 3.16Å; D508-T512 PolarHBondContact O-OG1 3.13Å; D508-R542 PolarHBondContact O-NH2 3.42Å; D508-R542 WeakPolarHBondContact OD1-CD 3.07Å; D508-R542 WeakPolarHBondContact OD1-CG 3.27Å; D508-R542 IonicContact OD1-NE 3.82Å; D508-R542 PolarHBondContact OD1-NE 3.18Å; D508-K545 IonicContact OD1-NZ 3.61Å; D508-K545 PolarHBondContact OD1-NZ 3.12Å; D508-K545 IonicContact OD2-NZ 2.67Å; D508-K545 PolarHBondContact OD2-NZ 3.26Å
509	F	92.7	Very high	88.2	Confident	62 Å²	62	48.2 Å²	48.2	27%	0.272	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-52.1	176.2	176.2	-95.7	0	0	0	111.1	V487 I491 Y499 F500 N505 L506 F507 V511 T512 V513	V487-F509 HydrophobicContact CG1-CD2 3.7Å; V487-F509 HydrophobicContact CG1-CE2 4.46Å; I491-F509 HydrophobicContact CD1-CD2 4.12Å; I491-F509 HydrophobicContact CD1-CE2 4.21Å; Y499-F509 HydrophobicContact CE1-CB 3.87Å; Y499-F509 HydrophobicContact CE1-CD2 4.49Å; Y499-F509 HydrophobicContact CE1-CG 4.44Å; F500-F509 HydrophobicContact CE1-CB 4.38Å; F500-F509 AromaticContact CE1-CD1 3.74Å; F500-F509 HydrophobicContact CE1-CD1 3.74Å; F500-F509 HydrophobicContact CE1-CD2 4.23Å; F500-F509 HydrophobicContact CE1-CE1 4.01Å; F500-F509 AromaticContact CE1-CG 3.85Å; F500-F509 HydrophobicContact CE1-CG 3.85Å; F500-F509 HydrophobicContact CE1-CZ 4.4Å; F500-F509 HydrophobicContact CZ-CD1 4.25Å; F500-F509 HydrophobicContact CZ-CD2 4.23Å; F500-F509 HydrophobicContact CZ-CE1 4.14Å; F500-F509 HydrophobicContact CZ-CE2 4.15Å; F500-F509 HydrophobicContact CZ-CG 4.3Å; F500-F509 HydrophobicContact CZ-CZ 4.1Å; N505-F509 WeakPolarHBondContact O-CB 3.32Å; N505-F509 PolarHBondContact O-N 2.97Å; L506-F509 PolarHBondContact O-N 3.14Å; F507-F509 VanDerWaalsContact C-N 3.3Å; F507-F509 PolarHBondContact O-N 3.48Å; F509-V511 PolarHBondContact O-N 2.87Å; F509-T512 PolarHBondContact O-N 2.96Å; F509-V513 HydrophobicContact CD1-CG2 4.18Å; F509-V513 HydrophobicContact CD2-CG2 4.19Å; F509-V513 HydrophobicContact CE1-CG2 3.86Å; F509-V513 HydrophobicContact CE2-CG2 3.85Å; F509-V513 HydrophobicContact CG-CG2 4.34Å; F509-V513 HydrophobicContact CZ-CG2 3.68Å; F509-V513 WeakPolarHBondContact O-CB 3.5Å; F509-V513 VanDerWaalsContact O-CG2 3.3Å; F509-V513 WeakPolarHBondContact O-CG2 3.43Å; F509-V513 PolarHBondContact O-N 3.41Å
510	S	91.3	Very high	88.3	Confident	43 Å²	43	51.6 Å²	51.6	30%	0.301	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-50.2	179.8	-64.4	0	0	0	0	111.7	L506 F507 T512 V513 F514	L506-S510 WeakPolarHBondContact O-CB 3.24Å; L506-S510 PolarHBondContact O-N 2.87Å; L506-S510 PolarHBondContact O-OG 3.22Å; F507-S510 PolarHBondContact O-N 3.42Å; S510-T512 VanDerWaalsContact C-N 3.31Å; S510-T512 PolarHBondContact O-N 2.94Å; S510-V513 PolarHBondContact O-N 3.03Å; S510-F514 WeakPolarHBondContact O-CB 3.26Å; S510-F514 WeakPolarHBondContact O-CD2 3.3Å; S510-F514 PolarHBondContact O-N 3.32Å
511	V	90.8	Very high	88.2	Confident	25 Å²	25	48.1 Å²	48.1	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-39.6	179.1	173.4	0	0	0	0	111.6	F507 F509 A515 Q539	F507-V511 HydrophobicContact CD1-CG2 4.37Å; F507-V511 HydrophobicContact CD2-CG2 4.15Å; F507-V511 HydrophobicContact CE1-CG2 3.97Å; F507-V511 HydrophobicContact CE2-CG2 3.72Å; F507-V511 HydrophobicContact CG-CG2 4.47Å; F507-V511 HydrophobicContact CZ-CG2 3.62Å; F507-V511 WeakPolarHBondContact O-CG2 3.29Å; F507-V511 PolarHBondContact O-N 3.01Å; F509-V511 PolarHBondContact O-N 2.87Å; V511-A515 VanDerWaalsContact O-CB 3.31Å; V511-A515 WeakPolarHBondContact O-CB 3.17Å; V511-A515 PolarHBondContact O-N 2.66Å; V511-Q539 HydrophobicContact CG1-CG 3.71Å
512	T	92.2	Very high	88.4	Confident	5 Å²	5	46 Å²	46	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-44.3	178.5	-53.2	0	0	0	0	111.1	L480 V487 D508 F509 S510 A515 F516 R542	L480-T512 HydrophobicContact CD1-CG2 4.33Å; V487-T512 HydrophobicContact CG2-CG2 4.4Å; D508-T512 VanDerWaalsContact O-CB 3.28Å; D508-T512 WeakPolarHBondContact O-CB 3.42Å; D508-T512 PolarHBondContact O-N 3.16Å; D508-T512 PolarHBondContact O-OG1 3.13Å; F509-T512 PolarHBondContact O-N 2.96Å; S510-T512 VanDerWaalsContact C-N 3.31Å; S510-T512 PolarHBondContact O-N 2.94Å; T512-A515 PolarHBondContact O-N 2.99Å; T512-F516 HydrophobicContact CG2-CD2 3.88Å; T512-F516 HydrophobicContact CG2-CE2 3.77Å; T512-F516 VanDerWaalsContact O-CD2 3.28Å; T512-F516 WeakPolarHBondContact O-CD2 3.46Å; T512-F516 PolarHBondContact O-N 3.34Å; T512-R542 PolarHBondContact OG1-NH2 3.34Å
513	V	92.3	Very high	88.6	Confident	70 Å²	70	48 Å²	48	42%	0.424	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.2	170.8	0	0	0	0	111.4	F509 S510 A515 F516 L517	F509-V513 HydrophobicContact CD1-CG2 4.18Å; F509-V513 HydrophobicContact CD2-CG2 4.19Å; F509-V513 HydrophobicContact CE1-CG2 3.86Å; F509-V513 HydrophobicContact CE2-CG2 3.85Å; F509-V513 HydrophobicContact CG-CG2 4.34Å; F509-V513 HydrophobicContact CZ-CG2 3.68Å; F509-V513 WeakPolarHBondContact O-CB 3.5Å; F509-V513 VanDerWaalsContact O-CG2 3.3Å; F509-V513 WeakPolarHBondContact O-CG2 3.43Å; F509-V513 PolarHBondContact O-N 3.41Å; S510-V513 PolarHBondContact O-N 3.03Å; V513-A515 VanDerWaalsContact C-N 3.32Å; V513-A515 PolarHBondContact O-N 3.14Å; V513-F516 PolarHBondContact O-N 3Å; V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 3.01Å
514	F	91.2	Very high	88.8	Confident	128 Å²	128	52.8 Å²	52.8	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-43.4	174.1	-86.8	-68.6	0	0	0	111.3	S510 F516 L517 G518 I532	S510-F514 WeakPolarHBondContact O-CB 3.26Å; S510-F514 WeakPolarHBondContact O-CD2 3.3Å; S510-F514 PolarHBondContact O-N 3.32Å; F514-F516 PolarHBondContact O-N 2.84Å; F514-L517 PolarHBondContact O-N 3.22Å; F514-G518 PolarHBondContact O-N 3.28Å; F514-I532 WeakPolarHBondContact O-CG2 3.29Å
515	A	90.3	Very high	88.7	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-38.7	177.6	0	0	0	0	0	113.2	Y476 L480 V511 T512 V513 G518 L519	Y476-A515 WeakPolarHBondContact OH-CB 3.4Å; Y476-A515 PolarHBondContact OH-O 2.95Å; L480-A515 HydrophobicContact CD1-CB 3.57Å; L480-A515 HydrophobicContact CD2-CB 4.45Å; V511-A515 VanDerWaalsContact O-CB 3.31Å; V511-A515 WeakPolarHBondContact O-CB 3.17Å; V511-A515 PolarHBondContact O-N 2.66Å; T512-A515 PolarHBondContact O-N 2.99Å; V513-A515 VanDerWaalsContact C-N 3.32Å; V513-A515 PolarHBondContact O-N 3.14Å; A515-G518 PolarHBondContact O-N 3.5Å; A515-L519 PolarHBondContact O-N 3.45Å
516	F	91.4	Very high	88.4	Confident	81 Å²	81	61.7 Å²	61.7	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-65	-42.7	171.3	-88.5	-73.5	0	0	0	111.9	L480 T512 V513 F514 G518 L519 V520	L480-F516 HydrophobicContact CD1-CD2 3.85Å; L480-F516 HydrophobicContact CD1-CE2 3.81Å; L480-F516 HydrophobicContact CD1-CG 4.37Å; L480-F516 HydrophobicContact CD1-CZ 4.31Å; L480-F516 HydrophobicContact CD2-CD1 4.14Å; L480-F516 HydrophobicContact CD2-CE1 4.27Å; L480-F516 HydrophobicContact CD2-CG 4.27Å; L480-F516 HydrophobicContact CG-CD1 4.43Å; L480-F516 HydrophobicContact CG-CD2 4.23Å; L480-F516 HydrophobicContact CG-CE1 4.19Å; L480-F516 HydrophobicContact CG-CE2 3.96Å; L480-F516 HydrophobicContact CG-CG 4.44Å; L480-F516 HydrophobicContact CG-CZ 3.94Å; T512-F516 HydrophobicContact CG2-CD2 3.88Å; T512-F516 HydrophobicContact CG2-CE2 3.77Å; T512-F516 VanDerWaalsContact O-CD2 3.28Å; T512-F516 WeakPolarHBondContact O-CD2 3.46Å; T512-F516 PolarHBondContact O-N 3.34Å; V513-F516 PolarHBondContact O-N 3Å; F514-F516 PolarHBondContact O-N 2.84Å; F516-G518 VanDerWaalsContact C-N 3.32Å; F516-G518 PolarHBondContact O-N 2.99Å; F516-L519 PolarHBondContact O-N 3.05Å; F516-V520 WeakPolarHBondContact O-CG2 3.3Å; F516-V520 PolarHBondContact O-N 3.42Å
517	L	90.3	Very high	87.8	Confident	93 Å²	93	64 Å²	64	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.9	-173.9	64.8	0	0	0	111.3	V513 F514 V520 A521	V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 3.01Å; F514-L517 PolarHBondContact O-N 3.22Å; L517-V520 PolarHBondContact O-N 3.28Å; L517-A521 VanDerWaalsContact O-CB 3.29Å; L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 2.89Å
518	G	87.3	Confident	87.4	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-42.5	173.6	0	0	0	0	0	113	F514 A515 F516 A521 L522	F514-G518 PolarHBondContact O-N 3.28Å; A515-G518 PolarHBondContact O-N 3.5Å; F516-G518 VanDerWaalsContact C-N 3.32Å; F516-G518 PolarHBondContact O-N 2.99Å; G518-A521 PolarHBondContact O-N 3.43Å; G518-L522 WeakPolarHBondContact O-CB 3.46Å; G518-L522 PolarHBondContact O-N 3.36Å
519	L	87.3	Confident	87	Confident	40 Å²	40	70 Å²	70	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-42.8	176.3	-176.5	66.9	0	0	0	112	V472 Y476 L480 A515 F516 L522 A523	V472-L519 HydrophobicContact CG1-CD1 4.24Å; V472-L519 HydrophobicContact CG2-CD1 4.25Å; Y476-L519 HydrophobicContact CE1-CD1 4.5Å; L480-L519 HydrophobicContact CD2-CB 4.26Å; L480-L519 HydrophobicContact CD2-CD2 3.91Å; A515-L519 PolarHBondContact O-N 3.45Å; F516-L519 PolarHBondContact O-N 3.05Å; L519-L522 PolarHBondContact O-N 3.25Å; L519-A523 PolarHBondContact O-N 3.15Å
520	V	88.6	Confident	86.3	Confident	72 Å²	72	68.2 Å²	68.2	44%	0.436	36%	0.356	S	S	.	.	H	α-helix	trans	-66	-45.7	177.5	172.3	0	0	0	0	110.8	F516 L517 L522 A523 F524	F516-V520 WeakPolarHBondContact O-CG2 3.3Å; F516-V520 PolarHBondContact O-N 3.42Å; L517-V520 PolarHBondContact O-N 3.28Å; V520-L522 VanDerWaalsContact C-N 3.28Å; V520-L522 PolarHBondContact O-N 3.47Å; V520-A523 WeakPolarHBondContact O-CB 3.48Å; V520-A523 PolarHBondContact O-N 3.13Å; V520-A523 VanDerWaalsContact O-N 3.12Å; V520-F524 HydrophobicContact CG1-CD2 3.73Å; V520-F524 HydrophobicContact CG1-CE2 3.52Å; V520-F524 WeakPolarHBondContact O-CD2 3.48Å; V520-F524 PolarHBondContact O-N 3.1Å
521	A	86.1	Confident	85.8	Confident	9 Å²	9	71.6 Å²	71.6	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-38.6	177.6	0	0	0	0	0	112.1	L517 G518 F524 K525 M526 F529	L517-A521 VanDerWaalsContact O-CB 3.29Å; L517-A521 WeakPolarHBondContact O-CB 3.42Å; L517-A521 PolarHBondContact O-N 2.89Å; G518-A521 PolarHBondContact O-N 3.43Å; A521-F524 CarbonylContact O-C 3.57Å; A521-F524 PolarHBondContact O-N 3.08Å; A521-K525 PolarHBondContact O-N 3.49Å; A521-M526 HydrophobicContact CB-CB 4.49Å; A521-M526 PolarHBondContact O-N 3.35Å; A521-F529 HydrophobicContact CB-CB 3.59Å; A521-F529 HydrophobicContact CB-CD2 4.07Å; A521-F529 HydrophobicContact CB-CG 3.85Å
522	L	82.1	Confident	85.5	Confident	31 Å²	31	71.2 Å²	71.2	16%	0.162	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-37.9	174.6	-173.7	58.3	0	0	0	112.3	V472 G518 L519 V520 F524 K525 Y530 V533	V472-L522 HydrophobicContact CG2-CD2 3.18Å; V472-L522 HydrophobicContact CG2-CG 4.24Å; G518-L522 WeakPolarHBondContact O-CB 3.46Å; G518-L522 PolarHBondContact O-N 3.36Å; L519-L522 PolarHBondContact O-N 3.25Å; V520-L522 VanDerWaalsContact C-N 3.28Å; V520-L522 PolarHBondContact O-N 3.47Å; L522-F524 PolarHBondContact O-N 2.91Å; L522-K525 PolarHBondContact O-N 3.29Å; L522-Y530 HydrophobicContact CD1-CD2 4.15Å; L522-Y530 HydrophobicContact CD2-CD2 4.28Å; L522-V533 HydrophobicContact CD2-CG2 4.17Å
523	A	84.7	Confident	84.9	Confident	83 Å²	83	71 Å²	71	69%	0.686	36%	0.362	S	S	*	.	H	α-helix	trans	-61.7	-30.7	173	0	0	0	0	0	112.4	L519 V520 K525	L519-A523 PolarHBondContact O-N 3.15Å; V520-A523 WeakPolarHBondContact O-CB 3.48Å; V520-A523 PolarHBondContact O-N 3.13Å; V520-A523 VanDerWaalsContact O-N 3.12Å; A523-K525 VanDerWaalsContact C-N 3.29Å
524	F	86.3	Confident	84.4	Confident	149 Å²	149	71 Å²	71	65%	0.654	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	8.6	172.2	-71.8	-67.1	0	0	0	114.2	V520 A521 L522 M526	V520-F524 HydrophobicContact CG1-CD2 3.73Å; V520-F524 HydrophobicContact CG1-CE2 3.52Å; V520-F524 WeakPolarHBondContact O-CD2 3.48Å; V520-F524 PolarHBondContact O-N 3.1Å; A521-F524 CarbonylContact O-C 3.57Å; A521-F524 PolarHBondContact O-N 3.08Å; L522-F524 PolarHBondContact O-N 2.91Å; F524-M526 VanDerWaalsContact C-N 3.26Å; F524-M526 HydrophobicContact CB-CG 4.3Å; F524-M526 PolarHBondContact O-N 3.44Å
525	K	82.6	Confident	84.1	Confident	160 Å²	160	68.6 Å²	68.6	70%	0.696	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	34.5	-179	-56.1	-170.8	176.1	-162.2	0	114.3	A521 L522 A523 E527	A521-K525 PolarHBondContact O-N 3.49Å; L522-K525 PolarHBondContact O-N 3.29Å; A523-K525 VanDerWaalsContact C-N 3.29Å; K525-E527 PolarHBondContact O-N 2.77Å
526	M	81.8	Confident	83.8	Confident	96 Å²	96	69.1 Å²	69.1	47%	0.473	36%	0.355	S	S	.	.			trans	-84.8	85.5	172.5	-58.1	-173.2	172.5	0	0	110.1	A521 F524 P528 F529	A521-M526 HydrophobicContact CB-CB 4.49Å; A521-M526 PolarHBondContact O-N 3.35Å; F524-M526 VanDerWaalsContact C-N 3.26Å; F524-M526 HydrophobicContact CB-CG 4.3Å; F524-M526 PolarHBondContact O-N 3.44Å; M526-P528 VanDerWaalsContact C-N 3.3Å; M526-P528 WeakPolarHBondContact O-CD 3.47Å; M526-P528 VanDerWaalsContact O-N 3.14Å; M526-F529 HydrophobicContact CB-CD2 3.56Å; M526-F529 HydrophobicContact CB-CE2 4.1Å; M526-F529 HydrophobicContact CG-CD2 4.46Å; M526-F529 PolarHBondContact O-N 3.24Å; M526-F529 HydrophobicContact SD-CD2 4.08Å; M526-F529 HydrophobicContact SD-CE2 3.81Å
527	E	77.1	Confident	83.6	Confident	130 Å²	130	68.1 Å²	68.1	61%	0.607	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-42	-43.3	179	-68.2	-68	153.7	0	0	114.9	K525 F529 Y530	K525-E527 PolarHBondContact O-N 2.77Å; E527-F529 PolarHBondContact O-N 3.17Å; E527-Y530 WeakPolarHBondContact O-CB 3.35Å; E527-Y530 PolarHBondContact O-N 3.38Å
528	P	79.5	Confident	83.5	Confident	102 Å²	102	68.9 Å²	68.9	66%	0.662	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-65.7	-15.4	-176.5	-20.5	33.3	0	0	0	114.5	M526 F531	M526-P528 VanDerWaalsContact C-N 3.3Å; M526-P528 WeakPolarHBondContact O-CD 3.47Å; M526-P528 VanDerWaalsContact O-N 3.14Å; P528-F531 WeakPolarHBondContact O-CD1 3.48Å; P528-F531 WeakPolarHBondContact O-CE1 3.46Å
529	F	80.5	Confident	83.4	Confident	85 Å²	85	69.1 Å²	69.1	37%	0.373	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-93.3	-0.6	-179	-66.1	-82.8	0	0	0	113.6	A521 M526 E527 F531 I532	A521-F529 HydrophobicContact CB-CB 3.59Å; A521-F529 HydrophobicContact CB-CD2 4.07Å; A521-F529 HydrophobicContact CB-CG 3.85Å; M526-F529 HydrophobicContact CB-CD2 3.56Å; M526-F529 HydrophobicContact CB-CE2 4.1Å; M526-F529 HydrophobicContact CG-CD2 4.46Å; M526-F529 PolarHBondContact O-N 3.24Å; M526-F529 HydrophobicContact SD-CD2 4.08Å; M526-F529 HydrophobicContact SD-CE2 3.81Å; E527-F529 PolarHBondContact O-N 3.17Å; F529-F531 HydrophobicContact CD1-CE1 4.45Å; F529-F531 PolarHBondContact O-N 3.39Å; F529-I532 HydrophobicContact CB-CD1 4.32Å; F529-I532 HydrophobicContact CD1-CD1 3.99Å; F529-I532 WeakPolarHBondContact O-CB 3.46Å; F529-I532 WeakPolarHBondContact O-CG1 3.25Å; F529-I532 PolarHBondContact O-N 2.86Å
530	Y	79.7	Confident	83.5	Confident	25 Å²	25	69.5 Å²	69.5	10%	0.098	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	178.6	-176.5	-93.1	0	0	0	113	Y466 W468 L522 E527 I532 V533 V534	Y466-Y530 AromaticContact CE1-CE1 3.99Å; Y466-Y530 HydrophobicContact CE1-CE1 3.99Å; Y466-Y530 WeakPolarHBondContact CE1-OH 3.34Å; Y466-Y530 PolarHBondContact OH-OH 3.45Å; W468-Y530 AromaticContact CE3-CD1 3.74Å; W468-Y530 HydrophobicContact CE3-CD1 3.74Å; W468-Y530 AromaticContact CE3-CE1 3.6Å; W468-Y530 HydrophobicContact CE3-CE1 3.6Å; W468-Y530 HydrophobicContact CE3-CG 4.47Å; W468-Y530 HydrophobicContact CH2-CD1 4.47Å; W468-Y530 AromaticContact CZ3-CD1 3.38Å; W468-Y530 HydrophobicContact CZ3-CD1 3.38Å; W468-Y530 AromaticContact CZ3-CE1 3.6Å; W468-Y530 HydrophobicContact CZ3-CE1 3.6Å; W468-Y530 HydrophobicContact CZ3-CG 4.27Å; L522-Y530 HydrophobicContact CD1-CD2 4.15Å; L522-Y530 HydrophobicContact CD2-CD2 4.28Å; E527-Y530 WeakPolarHBondContact O-CB 3.35Å; E527-Y530 PolarHBondContact O-N 3.38Å; Y530-I532 PolarHBondContact O-N 3.4Å; Y530-V533 WeakPolarHBondContact O-CB 3.48Å; Y530-V533 PolarHBondContact O-N 2.87Å; Y530-V534 HydrophobicContact CD1-CG2 3.75Å; Y530-V534 HydrophobicContact CE1-CG2 3.55Å; Y530-V534 PolarHBondContact O-N 3.17Å
531	F	80.8	Confident	83.5	Confident	114 Å²	114	68.8 Å²	68.8	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-53.9	-30.3	175.7	76.7	-87.9	0	0	0	112.5	P528 F529 V533 V534 L535	P528-F531 WeakPolarHBondContact O-CD1 3.48Å; P528-F531 WeakPolarHBondContact O-CE1 3.46Å; F529-F531 HydrophobicContact CD1-CE1 4.45Å; F529-F531 PolarHBondContact O-N 3.39Å; F531-V533 VanDerWaalsContact C-N 3.25Å; F531-V533 PolarHBondContact O-N 3.03Å; F531-V534 WeakPolarHBondContact O-CA 3.44Å; F531-V534 WeakPolarHBondContact O-CB 3.32Å; F531-V534 PolarHBondContact O-N 3.14Å; F531-L535 HydrophobicContact CD2-CD1 4.18Å; F531-L535 HydrophobicContact CD2-CG 4.45Å; F531-L535 HydrophobicContact CE2-CD1 4.43Å; F531-L535 WeakPolarHBondContact O-CG 3.28Å; F531-L535 PolarHBondContact O-N 3.47Å
532	I	83.3	Confident	83.4	Confident	17 Å²	17	68.6 Å²	68.6	9%	0.087	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-35.5	178.1	-59.9	177.1	0	0	0	111	F514 F529 Y530 L535	F514-I532 WeakPolarHBondContact O-CG2 3.29Å; F529-I532 HydrophobicContact CB-CD1 4.32Å; F529-I532 HydrophobicContact CD1-CD1 3.99Å; F529-I532 WeakPolarHBondContact O-CB 3.46Å; F529-I532 WeakPolarHBondContact O-CG1 3.25Å; F529-I532 PolarHBondContact O-N 2.86Å; Y530-I532 PolarHBondContact O-N 3.4Å; I532-L535 WeakPolarHBondContact O-CB 3.39Å; I532-L535 PolarHBondContact O-N 2.82Å
533	V	80.3	Confident	83.6	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-71	-36.5	175.2	-177.6	0	0	0	0	110.5	Y476 L522 Y530 F531 L535 R536	Y476-V533 HydrophobicContact CE1-CG1 4.42Å; L522-V533 HydrophobicContact CD2-CG2 4.17Å; Y530-V533 WeakPolarHBondContact O-CB 3.48Å; Y530-V533 PolarHBondContact O-N 2.87Å; F531-V533 VanDerWaalsContact C-N 3.25Å; F531-V533 PolarHBondContact O-N 3.03Å; V533-L535 PolarHBondContact O-N 3.45Å; V533-R536 VanDerWaalsContact O-CB 3.31Å; V533-R536 WeakPolarHBondContact O-CB 3.37Å; V533-R536 VanDerWaalsContact O-CG 3.28Å; V533-R536 WeakPolarHBondContact O-CG 3.11Å; V533-R536 PolarHBondContact O-N 3.49Å
534	V	81.4	Confident	83.6	Confident	68 Å²	68	70.6 Å²	70.6	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-31.6	174.4	-178.7	0	0	0	0	111.4	Y530 F531 R536 P537	Y530-V534 HydrophobicContact CD1-CG2 3.75Å; Y530-V534 HydrophobicContact CE1-CG2 3.55Å; Y530-V534 PolarHBondContact O-N 3.17Å; F531-V534 WeakPolarHBondContact O-CA 3.44Å; F531-V534 WeakPolarHBondContact O-CB 3.32Å; F531-V534 PolarHBondContact O-N 3.14Å; V534-R536 PolarHBondContact O-N 2.9Å; V534-R536 VanDerWaalsContact O-N 3.13Å; V534-P537 WeakPolarHBondContact O-CD 3.41Å
535	L	85.3	Confident	83.2	Confident	79 Å²	79	64.8 Å²	64.8	41%	0.414	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	4	177.5	-69.9	-165.1	0	0	0	115	F531 I532 V533 P537 F538	F531-L535 HydrophobicContact CD2-CD1 4.18Å; F531-L535 HydrophobicContact CD2-CG 4.45Å; F531-L535 HydrophobicContact CE2-CD1 4.43Å; F531-L535 WeakPolarHBondContact O-CG 3.28Å; F531-L535 PolarHBondContact O-N 3.47Å; I532-L535 WeakPolarHBondContact O-CB 3.39Å; I532-L535 PolarHBondContact O-N 2.82Å; V533-L535 PolarHBondContact O-N 3.45Å; L535-P537 VanDerWaalsContact C-N 3.29Å; L535-P537 WeakPolarHBondContact O-CD 3.41Å; L535-P537 VanDerWaalsContact O-N 3.13Å; L535-F538 HydrophobicContact CB-CD2 3.83Å; L535-F538 HydrophobicContact CB-CE2 4.26Å; L535-F538 HydrophobicContact CD1-CD2 4.19Å; L535-F538 HydrophobicContact CD1-CE2 4Å; L535-F538 HydrophobicContact CD2-CD2 3.93Å; L535-F538 HydrophobicContact CD2-CE2 3.46Å; L535-F538 VanDerWaalsContact CD2-CE2 3.46Å; L535-F538 HydrophobicContact CG-CD2 4.15Å; L535-F538 HydrophobicContact CG-CE2 4.06Å; L535-F538 WeakPolarHBondContact O-CB 3.32Å; L535-F538 PolarHBondContact O-N 2.92Å
536	R	84.1	Confident	83.2	Confident	15 Å²	15	61.6 Å²	61.6	6%	0.057	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-48	-34.2	176.3	64	-174.2	-172.5	162.3	11.8	115.8	I455 E458 Y476 V533 V534 F538 Q539	I455-R536 HydrophobicContact CD1-CG 4.37Å; E458-R536 IonicContact OE1-NH1 2.63Å; E458-R536 IonicContact OE2-CZ 2.96Å; E458-R536 IonicContact OE2-NH1 3.61Å; E458-R536 PolarHBondContact OE2-NH1 3.3Å; E458-R536 IonicContact OE2-NH2 2.66Å; E458-R536 PolarHBondContact OE2-NH2 3.06Å; Y476-R536 HydrophobicContact CD2-CB 4.18Å; Y476-R536 HydrophobicContact CE2-CB 3.91Å; V533-R536 VanDerWaalsContact O-CB 3.31Å; V533-R536 WeakPolarHBondContact O-CB 3.37Å; V533-R536 VanDerWaalsContact O-CG 3.28Å; V533-R536 WeakPolarHBondContact O-CG 3.11Å; V533-R536 PolarHBondContact O-N 3.49Å; V534-R536 PolarHBondContact O-N 2.9Å; V534-R536 VanDerWaalsContact O-N 3.13Å; R536-F538 PolarHBondContact O-N 3.11Å; R536-Q539 WeakPolarHBondContact O-CB 3.43Å; R536-Q539 WeakPolarHBondContact O-CG 3.42Å; R536-Q539 PolarHBondContact O-N 2.68Å; R536-Q539 VanDerWaalsContact O-N 3.13Å
537	P	86.9	Confident	83.2	Confident	61 Å²	61	61.4 Å²	61.4	40%	0.396	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.1	-20.4	177.7	-21.8	36	0	0	0	113.9	V534 L535 Q539 L540	V534-P537 WeakPolarHBondContact O-CD 3.41Å; L535-P537 VanDerWaalsContact C-N 3.29Å; L535-P537 WeakPolarHBondContact O-CD 3.41Å; L535-P537 VanDerWaalsContact O-N 3.13Å; P537-Q539 PolarHBondContact O-N 3.13Å; P537-Q539 VanDerWaalsContact O-N 3.14Å; P537-L540 HydrophobicContact CB-CD1 4.49Å; P537-L540 WeakPolarHBondContact O-CB 3.24Å; P537-L540 WeakPolarHBondContact O-CG 3.26Å; P537-L540 PolarHBondContact O-N 3.23Å
538	F	87	Confident	83.1	Confident	109 Å²	109	58.3 Å²	58.3	48%	0.478	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.2	175	-75.9	-53.4	0	0	0	113.1	L535 R536 L540 L541	L535-F538 HydrophobicContact CB-CD2 3.83Å; L535-F538 HydrophobicContact CB-CE2 4.26Å; L535-F538 HydrophobicContact CD1-CD2 4.19Å; L535-F538 HydrophobicContact CD1-CE2 4Å; L535-F538 HydrophobicContact CD2-CD2 3.93Å; L535-F538 HydrophobicContact CD2-CE2 3.46Å; L535-F538 VanDerWaalsContact CD2-CE2 3.46Å; L535-F538 HydrophobicContact CG-CD2 4.15Å; L535-F538 HydrophobicContact CG-CE2 4.06Å; L535-F538 WeakPolarHBondContact O-CB 3.32Å; L535-F538 PolarHBondContact O-N 2.92Å; R536-F538 PolarHBondContact O-N 3.11Å; F538-L540 PolarHBondContact O-N 3.02Å; F538-L541 HydrophobicContact CB-CD1 4.44Å; F538-L541 HydrophobicContact CD1-CD1 3.69Å; F538-L541 HydrophobicContact CD1-CG 4.39Å; F538-L541 HydrophobicContact CE1-CD1 4.47Å; F538-L541 VanDerWaalsContact O-CB 3.28Å; F538-L541 WeakPolarHBondContact O-CB 3.18Å; F538-L541 WeakPolarHBondContact O-CG 3.45Å; F538-L541 PolarHBondContact O-N 2.99Å; F538-L541 VanDerWaalsContact O-N 3.12Å
539	Q	87	Confident	83	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.019	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.8	171.9	-62.6	171.3	-3.9	0	0	112.1	N451 Y483 V511 R536 P537 L541 R542	N451-Q539 PolarHBondContact ND2-OE1 3.36Å; Y483-Q539 HydrophobicContact CE2-CB 4.33Å; Y483-Q539 HydrophobicContact CE2-CG 4.46Å; Y483-Q539 VanDerWaalsContact CE2-OE1 3.3Å; V511-Q539 HydrophobicContact CG1-CG 3.71Å; R536-Q539 WeakPolarHBondContact O-CB 3.43Å; R536-Q539 WeakPolarHBondContact O-CG 3.42Å; R536-Q539 PolarHBondContact O-N 2.68Å; R536-Q539 VanDerWaalsContact O-N 3.13Å; P537-Q539 PolarHBondContact O-N 3.13Å; P537-Q539 VanDerWaalsContact O-N 3.14Å; Q539-L541 VanDerWaalsContact C-N 3.26Å; Q539-L541 PolarHBondContact O-N 2.63Å; Q539-R542 WeakPolarHBondContact O-CB 3.45Å; Q539-R542 WeakPolarHBondContact O-CG 3.25Å; Q539-R542 PolarHBondContact O-N 3.49Å
540	L	88.9	Confident	83.1	Confident	49 Å²	49	63.3 Å²	63.3	26%	0.257	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-73.2	-16.8	177.4	-54.6	175.9	0	0	0	113	V448 P537 F538 R542 L543	V448-L540 HydrophobicContact CG1-CD2 4.08Å; V448-L540 WeakPolarHBondContact O-CD2 3.44Å; P537-L540 HydrophobicContact CB-CD1 4.49Å; P537-L540 WeakPolarHBondContact O-CB 3.24Å; P537-L540 WeakPolarHBondContact O-CG 3.26Å; P537-L540 PolarHBondContact O-N 3.23Å; F538-L540 PolarHBondContact O-N 3.02Å; L540-R542 PolarHBondContact O-N 3.46Å; L540-L543 WeakPolarHBondContact O-CB 3.49Å; L540-L543 PolarHBondContact O-N 2.99Å
541	L	87.3	Confident	83	Confident	56 Å²	56	65 Å²	65	29%	0.293	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.4	173	-66.9	177.1	0	0	0	112.2	F507 F538 Q539 L543 F544	F507-L541 HydrophobicContact CE1-CB 4.13Å; F507-L541 HydrophobicContact CZ-CB 3.92Å; F507-L541 HydrophobicContact CZ-CD1 3.91Å; F538-L541 HydrophobicContact CB-CD1 4.44Å; F538-L541 HydrophobicContact CD1-CD1 3.69Å; F538-L541 HydrophobicContact CD1-CG 4.39Å; F538-L541 HydrophobicContact CE1-CD1 4.47Å; F538-L541 VanDerWaalsContact O-CB 3.28Å; F538-L541 WeakPolarHBondContact O-CB 3.18Å; F538-L541 WeakPolarHBondContact O-CG 3.45Å; F538-L541 PolarHBondContact O-N 2.99Å; F538-L541 VanDerWaalsContact O-N 3.12Å; Q539-L541 VanDerWaalsContact C-N 3.26Å; Q539-L541 PolarHBondContact O-N 2.63Å; L541-L543 PolarHBondContact O-N 2.7Å; L541-F544 HydrophobicContact CD2-CD2 3.78Å; L541-F544 HydrophobicContact CD2-CE2 3.41Å; L541-F544 VanDerWaalsContact CD2-CE2 3.41Å; L541-F544 HydrophobicContact CD2-CZ 4.2Å; L541-F544 WeakPolarHBondContact O-CB 3.45Å; L541-F544 PolarHBondContact O-N 2.86Å; L541-F544 VanDerWaalsContact O-N 3.1Å
542	R	85.9	Confident	82.7	Confident	6 Å²	6	60.6 Å²	60.6	2%	0.023	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.7	-28.7	171.4	-62.5	-176.9	-169.3	-167.8	4.9	112.7	V448 E486 F507 D508 T512 Q539 L540 F544 K545	V448-R542 HydrophobicContact CG1-CB 4.36Å; V448-R542 HydrophobicContact CG2-CB 4.19Å; E486-R542 IonicContact OE2-NH1 3.52Å; E486-R542 PolarHBondContact OE2-NH1 3.14Å; F507-R542 HydrophobicContact CE1-CG 4.48Å; D508-R542 PolarHBondContact O-NH2 3.42Å; D508-R542 WeakPolarHBondContact OD1-CD 3.07Å; D508-R542 WeakPolarHBondContact OD1-CG 3.27Å; D508-R542 IonicContact OD1-NE 3.82Å; D508-R542 PolarHBondContact OD1-NE 3.18Å; T512-R542 PolarHBondContact OG1-NH2 3.34Å; Q539-R542 WeakPolarHBondContact O-CB 3.45Å; Q539-R542 WeakPolarHBondContact O-CG 3.25Å; Q539-R542 PolarHBondContact O-N 3.49Å; L540-R542 PolarHBondContact O-N 3.46Å; R542-F544 PolarHBondContact O-N 3.37Å; R542-K545 VanDerWaalsContact O-CB 3.26Å; R542-K545 WeakPolarHBondContact O-CB 3.41Å; R542-K545 VanDerWaalsContact O-CG 3.28Å; R542-K545 WeakPolarHBondContact O-CG 3.47Å; R542-K545 PolarHBondContact O-N 3.47Å
543	L	86.3	Confident	82.7	Confident	70 Å²	70	62.4 Å²	62.4	37%	0.366	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26.2	178.5	-157.8	74.4	0	0	0	112	V448 A449 L540 L541 K545 I546	V448-L543 HydrophobicContact CG1-CB 4.32Å; V448-L543 HydrophobicContact CG1-CD1 4.37Å; A449-L543 HydrophobicContact CB-CD1 4.45Å; L540-L543 WeakPolarHBondContact O-CB 3.49Å; L540-L543 PolarHBondContact O-N 2.99Å; L541-L543 PolarHBondContact O-N 2.7Å; L543-K545 PolarHBondContact O-N 3.17Å; L543-K545 VanDerWaalsContact O-N 3.16Å; L543-I546 HydrophobicContact CD1-CD1 3.43Å; L543-I546 VanDerWaalsContact CD1-CD1 3.43Å; L543-I546 HydrophobicContact CG-CD1 3.93Å; L543-I546 WeakPolarHBondContact O-CB 3.38Å; L543-I546 WeakPolarHBondContact O-CG1 3.42Å; L543-I546 PolarHBondContact O-N 3.39Å; L543-I546 VanDerWaalsContact O-N 3.12Å
544	F	83.6	Confident	82.8	Confident	86 Å²	86	64.1 Å²	64.1	38%	0.377	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.6	176.8	-65.3	-13.2	0	0	0	113	L541 R542 I546 Y550 L554	L541-F544 HydrophobicContact CD2-CD2 3.78Å; L541-F544 HydrophobicContact CD2-CE2 3.41Å; L541-F544 VanDerWaalsContact CD2-CE2 3.41Å; L541-F544 HydrophobicContact CD2-CZ 4.2Å; L541-F544 WeakPolarHBondContact O-CB 3.45Å; L541-F544 PolarHBondContact O-N 2.86Å; L541-F544 VanDerWaalsContact O-N 3.1Å; R542-F544 PolarHBondContact O-N 3.37Å; F544-I546 PolarHBondContact O-N 2.87Å; F544-Y550 HydrophobicContact CD1-CD2 4.32Å; F544-L554 HydrophobicContact CB-CD1 4.29Å; F544-L554 HydrophobicContact CD2-CD1 4.22Å
545	K	78.9	Confident	82.6	Confident	27 Å²	27	62.7 Å²	62.7	12%	0.117	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-64.3	-25.9	173.4	-62.4	173.8	175.5	-175.6	0	113.3	Y445 W504 D508 R542 L543	Y445-K545 HydrophobicContact CE1-CB 4.08Å; W504-K545 HydrophobicContact CD2-CD 4.27Å; W504-K545 HydrophobicContact CD2-CG 3.88Å; W504-K545 HydrophobicContact CE3-CD 3.96Å; W504-K545 HydrophobicContact CE3-CG 3.64Å; W504-K545 HydrophobicContact CG-CG 4.49Å; W504-K545 HydrophobicContact CH2-CG 4.02Å; W504-K545 HydrophobicContact CZ2-CG 4.4Å; W504-K545 HydrophobicContact CZ3-CD 4.36Å; W504-K545 HydrophobicContact CZ3-CG 3.67Å; W504-K545 PolarHBondContact O-NZ 3.36Å; D508-K545 IonicContact OD1-NZ 3.61Å; D508-K545 PolarHBondContact OD1-NZ 3.12Å; D508-K545 IonicContact OD2-NZ 2.67Å; D508-K545 PolarHBondContact OD2-NZ 3.26Å; R542-K545 VanDerWaalsContact O-CB 3.26Å; R542-K545 WeakPolarHBondContact O-CB 3.41Å; R542-K545 VanDerWaalsContact O-CG 3.28Å; R542-K545 WeakPolarHBondContact O-CG 3.47Å; R542-K545 PolarHBondContact O-N 3.47Å; L543-K545 PolarHBondContact O-N 3.17Å; L543-K545 VanDerWaalsContact O-N 3.16Å
546	I	82.4	Confident	82.4	Confident	92 Å²	92	59 Å²	59	47%	0.472	28%	0.276	S	S	.	.	S	Bend	trans	-66.6	-43.5	-174.9	-61.8	175.1	0	0	0	110.8	Y445 L543 F544	Y445-I546 HydrophobicContact CD1-CD1 3.92Å; Y445-I546 HydrophobicContact CD1-CG1 3.68Å; Y445-I546 HydrophobicContact CD2-CD1 4.19Å; Y445-I546 HydrophobicContact CD2-CG1 3.83Å; Y445-I546 HydrophobicContact CE1-CG1 3.82Å; Y445-I546 HydrophobicContact CE2-CG1 3.95Å; Y445-I546 HydrophobicContact CG-CD1 3.74Å; Y445-I546 HydrophobicContact CG-CG1 3.71Å; L543-I546 HydrophobicContact CD1-CD1 3.43Å; L543-I546 VanDerWaalsContact CD1-CD1 3.43Å; L543-I546 HydrophobicContact CG-CD1 3.93Å; L543-I546 WeakPolarHBondContact O-CB 3.38Å; L543-I546 WeakPolarHBondContact O-CG1 3.42Å; L543-I546 PolarHBondContact O-N 3.39Å; L543-I546 VanDerWaalsContact O-N 3.12Å; F544-I546 PolarHBondContact O-N 2.87Å
547	K	82	Confident	82.3	Confident	93 Å²	93	61.8 Å²	61.8	40%	0.404	29%	0.291	S	S	.	.	S	Bend	trans	-94.1	115.9	-176.8	-162.4	-179.3	-170.9	173	0	109.5	R549 Y550 R551	K547-R549 HydrophobicContact CG-CB 4.37Å; K547-R549 PolarHBondContact O-N 3.03Å; K547-Y550 HydrophobicContact CB-CD2 3.52Å; K547-Y550 HydrophobicContact CB-CE2 3.88Å; K547-Y550 HydrophobicContact CB-CG 4.31Å; K547-Y550 HydrophobicContact CD-CD2 3.81Å; K547-Y550 HydrophobicContact CD-CE2 3.38Å; K547-Y550 HydrophobicContact CD-CG 4.48Å; K547-Y550 HydrophobicContact CG-CD2 4.21Å; K547-Y550 HydrophobicContact CG-CE2 4.25Å; K547-Y550 PolarHBondContact O-N 3.2Å; K547-R551 PolarHBondContact O-N 3.3Å
548	L	75.2	Confident	82.1	Confident	65 Å²	65	65.3 Å²	65.3	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-50.8	-35	178	-176.1	58.6	0	0	0	113.3	Y550 R551 N552	L548-Y550 PolarHBondContact O-N 3.46Å; L548-R551 VanDerWaalsContact CD1-CZ 3.47Å; L548-R551 PolarHBondContact O-N 3.44Å; L548-N552 VanDerWaalsContact O-CG 3.28Å; L548-N552 PolarHBondContact O-N 2.79Å; L548-N552 PolarHBondContact O-OD1 3.44Å
549	R	76.4	Confident	81.7	Confident	183 Å²	183	63.3 Å²	63.3	69%	0.691	29%	0.292	S	S	*	.	H	α-helix	trans	-61.1	-43.5	176.7	-65.7	-170.4	-170.3	171.3	2.5	112.7	K547 N552 V553	K547-R549 HydrophobicContact CG-CB 4.37Å; K547-R549 PolarHBondContact O-N 3.03Å; R549-N552 PolarHBondContact O-N 3.29Å; R549-V553 VanDerWaalsContact O-CG2 3.28Å; R549-V553 WeakPolarHBondContact O-CG2 3.34Å; R549-V553 PolarHBondContact O-N 3.17Å; R549-V553 VanDerWaalsContact O-N 3.13Å
550	Y	82.1	Confident	81.5	Confident	108 Å²	108	63.7 Å²	63.7	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-71.7	-37.3	179.6	-59.7	-44.6	0	0	0	111.7	F544 K547 L548 N552 V553 L554	F544-Y550 HydrophobicContact CD1-CD2 4.32Å; K547-Y550 HydrophobicContact CB-CD2 3.52Å; K547-Y550 HydrophobicContact CB-CE2 3.88Å; K547-Y550 HydrophobicContact CB-CG 4.31Å; K547-Y550 HydrophobicContact CD-CD2 3.81Å; K547-Y550 HydrophobicContact CD-CE2 3.38Å; K547-Y550 HydrophobicContact CD-CG 4.48Å; K547-Y550 HydrophobicContact CG-CD2 4.21Å; K547-Y550 HydrophobicContact CG-CE2 4.25Å; K547-Y550 PolarHBondContact O-N 3.2Å; L548-Y550 PolarHBondContact O-N 3.46Å; Y550-N552 VanDerWaalsContact C-N 3.34Å; Y550-N552 PolarHBondContact O-N 3.21Å; Y550-V553 PolarHBondContact O-N 3.34Å; Y550-L554 PolarHBondContact O-N 2.99Å
551	R	77.6	Confident	81.3	Confident	62 Å²	62	67.4 Å²	67.4	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-51.8	172.2	-169.1	-179.6	82.3	-165.2	9.2	110.8	W504 K547 L548 V553 L554 D555 E707	W504-R551 HydrophobicContact CZ2-CB 4.5Å; W504-R551 HydrophobicContact CZ2-CG 4.06Å; K547-R551 PolarHBondContact O-N 3.3Å; L548-R551 VanDerWaalsContact CD1-CZ 3.47Å; L548-R551 PolarHBondContact O-N 3.44Å; R551-V553 VanDerWaalsContact C-N 3.31Å; R551-V553 PolarHBondContact O-N 2.82Å; R551-L554 PolarHBondContact O-N 3.24Å; R551-L554 VanDerWaalsContact O-N 3.16Å; R551-D555 WeakPolarHBondContact CG-OD2 3.23Å; R551-D555 WeakPolarHBondContact O-CB 3.4Å; R551-D555 PolarHBondContact O-N 3.31Å; R551-E707 IonicContact CZ-OE2 3.75Å; R551-E707 IonicContact NH2-OE1 3.19Å; R551-E707 PolarHBondContact NH2-OE1 3.44Å; R551-E707 IonicContact NH2-OE2 3.82Å; R551-E707 PolarHBondContact NH2-OE2 3.2Å
552	N	75.9	Confident	81.2	Confident	21 Å²	21	68.9 Å²	68.9	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-42.6	179.5	-71	13.5	0	0	0	111.9	L548 R549 Y550 D555 T556 R690 S694	L548-N552 VanDerWaalsContact O-CG 3.28Å; L548-N552 PolarHBondContact O-N 2.79Å; L548-N552 PolarHBondContact O-OD1 3.44Å; R549-N552 PolarHBondContact O-N 3.29Å; Y550-N552 VanDerWaalsContact C-N 3.34Å; Y550-N552 PolarHBondContact O-N 3.21Å; N552-D555 PolarHBondContact O-N 2.94Å; N552-T556 VanDerWaalsContact O-CG2 3.26Å; N552-T556 WeakPolarHBondContact O-CG2 3.36Å; N552-T556 PolarHBondContact O-N 3.26Å; N552-T556 PolarHBondContact O-OG1 3.02Å; N552-R690 PolarHBondContact O-NH1 3.35Å; N552-S694 PolarHBondContact ND2-OG 3.49Å
553	V	82.8	Confident	81	Confident	55 Å²	55	71 Å²	71	33%	0.333	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-38.3	177.4	163.6	0	0	0	0	112.9	R549 Y550 R551 T556 M557 F687	R549-V553 VanDerWaalsContact O-CG2 3.28Å; R549-V553 WeakPolarHBondContact O-CG2 3.34Å; R549-V553 PolarHBondContact O-N 3.17Å; R549-V553 VanDerWaalsContact O-N 3.13Å; Y550-V553 PolarHBondContact O-N 3.34Å; R551-V553 VanDerWaalsContact C-N 3.31Å; R551-V553 PolarHBondContact O-N 2.82Å; V553-T556 VanDerWaalsContact C-OG1 3.26Å; V553-T556 WeakPolarHBondContact CA-OG1 3.35Å; V553-T556 PolarHBondContact O-OG1 3.26Å; V553-M557 WeakPolarHBondContact O-CB 3.42Å; V553-M557 PolarHBondContact O-N 3.48Å; V553-F687 HydrophobicContact CB-CZ 4.15Å; V553-F687 HydrophobicContact CG1-CE2 4.37Å; V553-F687 HydrophobicContact CG1-CZ 3.85Å; V553-F687 HydrophobicContact CG2-CZ 3.97Å
554	L	81.6	Confident	81	Confident	37 Å²	37	70.9 Å²	70.9	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-77	-39.3	178.4	-71.5	167.9	0	0	0	111.3	W504 F544 Y550 R551 T556 M557 F558	W504-L554 HydrophobicContact CH2-CB 4.42Å; W504-L554 HydrophobicContact CH2-CD1 3.44Å; W504-L554 VanDerWaalsContact CH2-CD1 3.44Å; W504-L554 HydrophobicContact CZ2-CB 4.22Å; W504-L554 HydrophobicContact CZ2-CD1 4.01Å; W504-L554 HydrophobicContact CZ3-CD1 4.42Å; F544-L554 HydrophobicContact CB-CD1 4.29Å; F544-L554 HydrophobicContact CD2-CD1 4.22Å; Y550-L554 PolarHBondContact O-N 2.99Å; R551-L554 PolarHBondContact O-N 3.24Å; R551-L554 VanDerWaalsContact O-N 3.16Å; L554-T556 VanDerWaalsContact C-N 3.33Å; L554-T556 PolarHBondContact O-N 3.48Å; L554-M557 HydrophobicContact CD2-CE 4.02Å; L554-M557 WeakPolarHBondContact O-CB 3.48Å; L554-M557 PolarHBondContact O-N 2.86Å; L554-F558 HydrophobicContact CB-CE2 4.49Å; L554-F558 WeakPolarHBondContact O-CD2 3.47Å; L554-F558 PolarHBondContact O-N 2.95Å
555	D	77.3	Confident	81.2	Confident	38 Å²	38	69 Å²	69	20%	0.203	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-39.3	174.1	-63.1	-21.6	0	0	0	110.8	W504 R551 N552 E559 R690	W504-D555 PolarHBondContact NE1-OD1 3.14Å; R551-D555 WeakPolarHBondContact CG-OD2 3.23Å; R551-D555 WeakPolarHBondContact O-CB 3.4Å; R551-D555 PolarHBondContact O-N 3.31Å; N552-D555 PolarHBondContact O-N 2.94Å; D555-E559 WeakPolarHBondContact O-CB 3.4Å; D555-E559 PolarHBondContact O-N 3.2Å; D555-E559 VanDerWaalsContact O-N 3.13Å; D555-R690 PolarHBondContact O-NH2 3.3Å
556	T	80.2	Confident	81.7	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-45.6	172.5	53.6	0	0	0	0	110.3	N552 V553 L554 E559 L560 F687 R690	N552-T556 VanDerWaalsContact O-CG2 3.26Å; N552-T556 WeakPolarHBondContact O-CG2 3.36Å; N552-T556 PolarHBondContact O-N 3.26Å; N552-T556 PolarHBondContact O-OG1 3.02Å; V553-T556 VanDerWaalsContact C-OG1 3.26Å; V553-T556 WeakPolarHBondContact CA-OG1 3.35Å; V553-T556 PolarHBondContact O-OG1 3.26Å; L554-T556 VanDerWaalsContact C-N 3.33Å; L554-T556 PolarHBondContact O-N 3.48Å; T556-E559 PolarHBondContact O-N 3.19Å; T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.88Å; T556-F687 WeakPolarHBondContact OG1-CE2 3.37Å; T556-F687 WeakPolarHBondContact OG1-CZ 3.27Å; T556-R690 VanDerWaalsContact CA-NH1 3.27Å; T556-R690 HydrophobicContact CG2-CB 4.05Å; T556-R690 VanDerWaalsContact CG2-CD 3.47Å; T556-R690 HydrophobicContact CG2-CG 3.75Å; T556-R690 VanDerWaalsContact N-NH1 3.12Å
557	M	83.4	Confident	82.1	Confident	75 Å²	75	64.5 Å²	64.5	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-48	-178	-172.8	-171.2	77.9	0	0	112.1	V553 L554 E559 L560 F561	V553-M557 WeakPolarHBondContact O-CB 3.42Å; V553-M557 PolarHBondContact O-N 3.48Å; L554-M557 HydrophobicContact CD2-CE 4.02Å; L554-M557 WeakPolarHBondContact O-CB 3.48Å; L554-M557 PolarHBondContact O-N 2.86Å; M557-E559 VanDerWaalsContact C-N 3.35Å; M557-E559 PolarHBondContact O-N 3.41Å; M557-L560 CarbonylContact O-C 3.57Å; M557-L560 PolarHBondContact O-N 3.09Å; M557-F561 PolarHBondContact O-N 3.45Å
558	F	82.3	Confident	82.5	Confident	135 Å²	135	61.6 Å²	61.6	59%	0.592	30%	0.304	S	S	*	.	H	α-helix	trans	-68.5	-33.5	179.4	-72.8	-61	0	0	0	112.7	L554 L560 F561	L554-F558 HydrophobicContact CB-CE2 4.49Å; L554-F558 WeakPolarHBondContact O-CD2 3.47Å; L554-F558 PolarHBondContact O-N 2.95Å; F558-L560 VanDerWaalsContact C-N 3.35Å; F558-F561 PolarHBondContact O-N 3.04Å
559	E	78.1	Confident	83.3	Confident	66 Å²	66	61.3 Å²	61.3	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-36.8	173.8	-172	172.7	164.3	0	0	111.9	D555 T556 M557 R690	D555-E559 WeakPolarHBondContact O-CB 3.4Å; D555-E559 PolarHBondContact O-N 3.2Å; D555-E559 VanDerWaalsContact O-N 3.13Å; T556-E559 PolarHBondContact O-N 3.19Å; M557-E559 VanDerWaalsContact C-N 3.35Å; M557-E559 PolarHBondContact O-N 3.41Å; E559-R690 IonicContact OE2-CZ 2.79Å; E559-R690 IonicContact OE2-NE 2.65Å; E559-R690 PolarHBondContact OE2-NE 3.47Å; E559-R690 IonicContact OE2-NH2 3.23Å; E559-R690 PolarHBondContact OE2-NH2 2.87Å
560	L	83	Confident	84.1	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-84.5	-9.9	178.1	-65	175.4	0	0	0	113.7	T556 M557 F558 R563 M564 A686 F687	T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.45Å; T556-L560 PolarHBondContact O-N 2.88Å; M557-L560 CarbonylContact O-C 3.57Å; M557-L560 PolarHBondContact O-N 3.09Å; F558-L560 VanDerWaalsContact C-N 3.35Å; L560-R563 WeakPolarHBondContact O-CA 3.41Å; L560-R563 WeakPolarHBondContact O-CB 3.43Å; L560-R563 PolarHBondContact O-N 3.04Å; L560-M564 PolarHBondContact O-N 3.5Å; L560-A686 HydrophobicContact CD1-CB 4.14Å; L560-A686 HydrophobicContact CD2-CB 4.1Å; L560-F687 HydrophobicContact CD1-CB 4.21Å; L560-F687 HydrophobicContact CD1-CD2 4.29Å
561	F	85.5	Confident	84.6	Confident	126 Å²	126	48.4 Å²	48.4	55%	0.553	26%	0.255	S	S	*	.	H	α-helix	trans	-54.8	-45.3	-175.3	179.1	-98.5	0	0	0	114.4	M557 F558 R563 M564 A565	M557-F561 PolarHBondContact O-N 3.45Å; F558-F561 PolarHBondContact O-N 3.04Å; F561-R563 PolarHBondContact O-N 3.41Å; F561-M564 PolarHBondContact O-N 3.41Å; F561-M564 VanDerWaalsContact O-N 3.15Å; F561-A565 WeakPolarHBondContact O-CB 3.46Å; F561-A565 PolarHBondContact O-N 3.16Å
562	P	84.8	Confident	85.3	Confident	88 Å²	88	49.4 Å²	49.4	57%	0.571	27%	0.265	S	S	*	.	H	α-helix	trans	-60.1	-31.9	176.7	-23.3	34.7	0	0	0	113	S566	P562-S566 PolarHBondContact O-N 3.35Å
563	R	81.1	Confident	86.2	Confident	49 Å²	49	49.2 Å²	49.2	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-47.8	176.4	-164.4	-174	174.5	167.9	-5.9	109.9	E324 L560 F561 A565 S566 L567 F682	E324-R563 IonicContact OE1-NH2 2.69Å; E324-R563 IonicContact OE2-NH2 3.13Å; L560-R563 WeakPolarHBondContact O-CA 3.41Å; L560-R563 WeakPolarHBondContact O-CB 3.43Å; L560-R563 PolarHBondContact O-N 3.04Å; F561-R563 PolarHBondContact O-N 3.41Å; R563-A565 VanDerWaalsContact C-N 3.34Å; R563-A565 PolarHBondContact O-N 3.45Å; R563-S566 PolarHBondContact O-N 2.95Å; R563-S566 PolarHBondContact O-OG 2.92Å; R563-L567 PolarHBondContact O-N 3.4Å; R563-F682 HydrophobicContact CG-CE1 3.56Å; R563-F682 HydrophobicContact CG-CZ 3.88Å; R563-F682 VanDerWaalsContact CZ-CZ 3.43Å
564	M	86.3	Confident	86.7	Confident	69 Å²	69	47.9 Å²	47.9	34%	0.34	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-42.6	175.5	-66.2	175.7	68.6	0	0	112.1	L560 F561 S566 L567 G568 I683	L560-M564 PolarHBondContact O-N 3.5Å; F561-M564 PolarHBondContact O-N 3.41Å; F561-M564 VanDerWaalsContact O-N 3.15Å; M564-S566 VanDerWaalsContact C-N 3.3Å; M564-S566 PolarHBondContact O-N 2.88Å; M564-L567 PolarHBondContact O-N 2.98Å; M564-G568 PolarHBondContact O-N 3.01Å; M564-I683 HydrophobicContact CE-CD1 4.2Å; M564-I683 HydrophobicContact CG-CD1 4.05Å; M564-I683 HydrophobicContact CG-CG1 4.11Å
565	A	88.9	Confident	87.4	Confident	47 Å²	47	46.6 Å²	46.6	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-39	176.7	0	0	0	0	0	111.9	F561 R563 L567 G568 L569	F561-A565 WeakPolarHBondContact O-CB 3.46Å; F561-A565 PolarHBondContact O-N 3.16Å; R563-A565 VanDerWaalsContact C-N 3.34Å; R563-A565 PolarHBondContact O-N 3.45Å; A565-L567 VanDerWaalsContact C-N 3.35Å; A565-L567 PolarHBondContact O-N 2.87Å; A565-G568 PolarHBondContact O-N 3.28Å; A565-L569 WeakPolarHBondContact O-CB 3.37Å; A565-L569 PolarHBondContact O-N 3.11Å
566	S	89.6	Confident	88.3	Confident	19 Å²	19	45.2 Å²	45.2	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-34.3	176.7	75.8	0	0	0	0	113.4	N218 P562 R563 M564 T570	N218-S566 PolarHBondContact ND2-OG 3.45Å; P562-S566 PolarHBondContact O-N 3.35Å; R563-S566 PolarHBondContact O-N 2.95Å; R563-S566 PolarHBondContact O-OG 2.92Å; M564-S566 VanDerWaalsContact C-N 3.3Å; M564-S566 PolarHBondContact O-N 2.88Å; S566-T570 PolarHBondContact O-N 3.02Å; S566-T570 PolarHBondContact O-OG1 3.44Å
567	L	89.3	Confident	89	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-74.9	-42.1	174.3	-76.3	-178.9	0	0	0	112.4	N218 R563 M564 A565 L569 T570 L571 I679 F682 I683	N218-L567 HydrophobicContact CB-CD2 4.05Å; N218-L567 WeakPolarHBondContact ND2-CD2 3.41Å; R563-L567 PolarHBondContact O-N 3.4Å; M564-L567 PolarHBondContact O-N 2.98Å; A565-L567 VanDerWaalsContact C-N 3.35Å; A565-L567 PolarHBondContact O-N 2.87Å; L567-L569 PolarHBondContact O-N 2.78Å; L567-T570 WeakPolarHBondContact O-CA 3.15Å; L567-T570 VanDerWaalsContact O-CB 3.28Å; L567-T570 WeakPolarHBondContact O-CB 3.22Å; L567-T570 PolarHBondContact O-N 3.3Å; L567-L571 PolarHBondContact O-N 3.44Å; L567-I679 HydrophobicContact CB-CD1 4.4Å; L567-I679 HydrophobicContact CB-CG1 4.11Å; L567-I679 HydrophobicContact CB-CG2 4.35Å; L567-I679 HydrophobicContact CD1-CB 4.4Å; L567-I679 HydrophobicContact CD1-CG1 4.27Å; L567-I679 HydrophobicContact CD1-CG2 4.15Å; L567-I679 HydrophobicContact CD2-CG1 4.2Å; L567-I679 HydrophobicContact CG-CG1 4.45Å; L567-F682 HydrophobicContact CD1-CB 4.46Å; L567-F682 HydrophobicContact CD1-CD1 3.2Å; L567-F682 HydrophobicContact CD1-CE1 3.25Å; L567-F682 HydrophobicContact CD1-CG 4.1Å; L567-F682 HydrophobicContact CD1-CZ 4.26Å; L567-F682 HydrophobicContact CD2-CE1 4.32Å; L567-F682 HydrophobicContact CG-CD1 4.27Å; L567-F682 HydrophobicContact CG-CE1 3.87Å; L567-I683 HydrophobicContact CD1-CG1 4.25Å
568	G	91.2	Very high	89.7	Confident	31 Å²	31	44.6 Å²	44.6	32%	0.32	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-38.5	173.1	0	0	0	0	0	111.5	M564 A565 T570 L571 L572	M564-G568 PolarHBondContact O-N 3.01Å; A565-G568 PolarHBondContact O-N 3.28Å; G568-T570 VanDerWaalsContact C-N 3.35Å; G568-T570 PolarHBondContact O-N 2.95Å; G568-L571 WeakPolarHBondContact O-CB 3.5Å; G568-L571 PolarHBondContact O-N 2.92Å; G568-L572 WeakPolarHBondContact O-CG 3.42Å; G568-L572 PolarHBondContact O-N 2.69Å
569	L	92.9	Very high	90.4	Very high	59 Å²	59	38.2 Å²	38.2	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-34.4	173.8	-173.5	56.7	0	0	0	112.6	V215 A565 L567 L572 I573	V215-L569 HydrophobicContact CG2-CB 4.19Å; V215-L569 HydrophobicContact CG2-CD2 3.75Å; V215-L569 HydrophobicContact CG2-CG 4.07Å; A565-L569 WeakPolarHBondContact O-CB 3.37Å; A565-L569 PolarHBondContact O-N 3.11Å; L567-L569 PolarHBondContact O-N 2.78Å; L569-L572 PolarHBondContact O-N 2.93Å; L569-I573 WeakPolarHBondContact O-CD1 3.47Å; L569-I573 WeakPolarHBondContact O-CG1 3.26Å; L569-I573 PolarHBondContact O-N 3.41Å; L569-I573 VanDerWaalsContact O-N 3.09Å
570	T	91.9	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-44.1	170.4	-65.4	0	0	0	0	111.5	V215 L219 L222 S566 L567 G568 I573 F574	V215-T570 WeakPolarHBondContact CG1-OG1 3.29Å; L219-T570 HydrophobicContact CD2-CG2 3.94Å; L219-T570 HydrophobicContact CG-CG2 3.76Å; L222-T570 HydrophobicContact CD1-CG2 3.59Å; S566-T570 PolarHBondContact O-N 3.02Å; S566-T570 PolarHBondContact O-OG1 3.44Å; L567-T570 WeakPolarHBondContact O-CA 3.15Å; L567-T570 VanDerWaalsContact O-CB 3.28Å; L567-T570 WeakPolarHBondContact O-CB 3.22Å; L567-T570 PolarHBondContact O-N 3.3Å; G568-T570 VanDerWaalsContact C-N 3.35Å; G568-T570 PolarHBondContact O-N 2.95Å; T570-I573 WeakPolarHBondContact O-CB 3.38Å; T570-I573 PolarHBondContact O-N 3.24Å; T570-F574 HydrophobicContact CG2-CD2 4.41Å; T570-F574 HydrophobicContact CG2-CE2 4.02Å; T570-F574 VanDerWaalsContact O-CD2 3.3Å; T570-F574 WeakPolarHBondContact O-CD2 3.31Å; T570-F574 PolarHBondContact O-N 3.35Å
571	L	92.1	Very high	91.8	Very high	20 Å²	20	36.1 Å²	36.1	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-45	175.1	179.6	68.9	0	0	0	111.8	L567 G568 I573 F574 Y575 V675 M676 I679	L567-L571 PolarHBondContact O-N 3.44Å; G568-L571 WeakPolarHBondContact O-CB 3.5Å; G568-L571 PolarHBondContact O-N 2.92Å; L571-I573 PolarHBondContact O-N 3.39Å; L571-F574 WeakPolarHBondContact O-CB 3.29Å; L571-F574 PolarHBondContact O-N 3.47Å; L571-Y575 HydrophobicContact CD1-CD1 4.31Å; L571-Y575 HydrophobicContact CD1-CE1 3.78Å; L571-Y575 HydrophobicContact CG-CD1 4.41Å; L571-Y575 HydrophobicContact CG-CE1 4.02Å; L571-Y575 PolarHBondContact O-N 2.91Å; L571-V675 HydrophobicContact CD1-CG1 3.93Å; L571-M676 HydrophobicContact CD1-SD 4.26Å; L571-M676 HydrophobicContact CD2-CE 3.53Å; L571-M676 HydrophobicContact CD2-SD 3.78Å; L571-I679 HydrophobicContact CB-CD1 4.1Å
572	L	93.8	Very high	92.3	Very high	84 Å²	84	30.1 Å²	30.1	44%	0.44	18%	0.175	S	C	.	.	H	α-helix	trans	-61	-29.8	177.6	-73.4	176.4	0	0	0	113	G568 L569 Y575 Y576	G568-L572 WeakPolarHBondContact O-CG 3.42Å; G568-L572 PolarHBondContact O-N 2.69Å; L569-L572 PolarHBondContact O-N 2.93Å; L572-Y575 HydrophobicContact CD2-CD2 4.19Å; L572-Y575 PolarHBondContact O-N 3.27Å; L572-Y576 WeakPolarHBondContact O-CB 3.4Å; L572-Y576 PolarHBondContact O-N 3.47Å
573	I	94.2	Very high	92.8	Very high	16 Å²	16	26 Å²	26	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-40.9	173.9	-73.8	160.2	0	0	0	111.2	P203 V207 V215 L219 L569 T570 L571 Y576 S577	P203-I573 HydrophobicContact CB-CG1 4.35Å; P203-I573 HydrophobicContact CB-CG2 3.7Å; P203-I573 HydrophobicContact CG-CG2 4.38Å; V207-I573 HydrophobicContact CG2-CD1 3.54Å; V215-I573 HydrophobicContact CG1-CD1 3.4Å; V215-I573 VanDerWaalsContact CG1-CD1 3.4Å; L219-I573 HydrophobicContact CD1-CD1 4.12Å; L219-I573 HydrophobicContact CD1-CG2 4.37Å; L569-I573 WeakPolarHBondContact O-CD1 3.47Å; L569-I573 WeakPolarHBondContact O-CG1 3.26Å; L569-I573 PolarHBondContact O-N 3.41Å; L569-I573 VanDerWaalsContact O-N 3.09Å; T570-I573 WeakPolarHBondContact O-CB 3.38Å; T570-I573 PolarHBondContact O-N 3.24Å; L571-I573 PolarHBondContact O-N 3.39Å; I573-Y576 PolarHBondContact O-N 2.82Å; I573-S577 PolarHBondContact O-N 3.28Å; I573-S577 PolarHBondContact O-OG 2.93Å
574	F	93.9	Very high	93.4	Very high	27 Å²	27	24.9 Å²	24.9	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-43.2	173.2	-73.9	-73.6	0	0	0	111.3	L219 L222 F223 T570 L571 Y576 S577 F578 V671 V675	L219-F574 HydrophobicContact CD2-CE2 3.59Å; L219-F574 HydrophobicContact CD2-CZ 3.61Å; L222-F574 HydrophobicContact CD1-CE2 3.92Å; L222-F574 HydrophobicContact CD1-CZ 4.42Å; F223-F574 HydrophobicContact CZ-CE1 4.25Å; F223-F574 HydrophobicContact CZ-CZ 4.28Å; T570-F574 HydrophobicContact CG2-CD2 4.41Å; T570-F574 HydrophobicContact CG2-CE2 4.02Å; T570-F574 VanDerWaalsContact O-CD2 3.3Å; T570-F574 WeakPolarHBondContact O-CD2 3.31Å; T570-F574 PolarHBondContact O-N 3.35Å; L571-F574 WeakPolarHBondContact O-CB 3.29Å; L571-F574 PolarHBondContact O-N 3.47Å; F574-Y576 VanDerWaalsContact C-N 3.3Å; F574-Y576 PolarHBondContact O-N 3.44Å; F574-S577 PolarHBondContact O-N 3.19Å; F574-S577 PolarHBondContact O-OG 3.46Å; F574-F578 WeakPolarHBondContact O-CD2 3.33Å; F574-F578 PolarHBondContact O-N 3.27Å; F574-V671 HydrophobicContact CD1-CG1 3.95Å; F574-V671 HydrophobicContact CE1-CG1 4.14Å; F574-V675 HydrophobicContact CD2-CG1 4.21Å; F574-V675 HydrophobicContact CD2-CG2 3.9Å; F574-V675 HydrophobicContact CE2-CG1 4.32Å; F574-V675 HydrophobicContact CE2-CG2 3.61Å; F574-V675 HydrophobicContact CZ-CG2 4.03Å
575	Y	96	Very high	93.7	Very high	10 Å²	10	27.1 Å²	27.1	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-43.5	175.2	-75.2	6.9	0	0	0	111.5	L571 L572 S577 F578 A579 L637 F638 T641 F668	L571-Y575 HydrophobicContact CD1-CD1 4.31Å; L571-Y575 HydrophobicContact CD1-CE1 3.78Å; L571-Y575 HydrophobicContact CG-CD1 4.41Å; L571-Y575 HydrophobicContact CG-CE1 4.02Å; L571-Y575 PolarHBondContact O-N 2.91Å; L572-Y575 HydrophobicContact CD2-CD2 4.19Å; L572-Y575 PolarHBondContact O-N 3.27Å; Y575-S577 PolarHBondContact O-N 3.35Å; Y575-F578 PolarHBondContact O-N 3.08Å; Y575-A579 WeakPolarHBondContact O-CB 3.49Å; Y575-A579 PolarHBondContact O-N 3.14Å; Y575-L637 WeakPolarHBondContact O-CD1 3.23Å; Y575-F638 HydrophobicContact CE2-CB 4.38Å; Y575-T641 WeakPolarHBondContact CE1-OG1 3.26Å; Y575-T641 WeakPolarHBondContact OH-CB 3.44Å; Y575-T641 WeakPolarHBondContact OH-CG2 3.24Å; Y575-T641 PolarHBondContact OH-OG1 3.46Å; Y575-F668 HydrophobicContact CD1-CE2 4.19Å; Y575-F668 HydrophobicContact CD1-CZ 4.38Å; Y575-F668 HydrophobicContact CE1-CE2 4.18Å; Y575-F668 AromaticContact CE1-CZ 3.96Å; Y575-F668 HydrophobicContact CE1-CZ 3.96Å
576	Y	96.2	Very high	93.9	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-57.1	-49	176.5	-175.1	-83	0	0	0	112.1	L117 R199 R202 P203 L572 I573 F574 F578 A579 I580 F634	L117-Y576 HydrophobicContact CB-CE2 4.22Å; L117-Y576 HydrophobicContact CD2-CD2 4.42Å; L117-Y576 HydrophobicContact CG-CD2 4.41Å; L117-Y576 HydrophobicContact CG-CE2 4.06Å; R199-Y576 WeakPolarHBondContact O-CE1 3.47Å; R202-Y576 HydrophobicContact CB-CE1 4.36Å; P203-Y576 HydrophobicContact CG-CD1 3.27Å; P203-Y576 HydrophobicContact CG-CE1 3.79Å; P203-Y576 HydrophobicContact CG-CG 4Å; L572-Y576 WeakPolarHBondContact O-CB 3.4Å; L572-Y576 PolarHBondContact O-N 3.47Å; I573-Y576 PolarHBondContact O-N 2.82Å; F574-Y576 VanDerWaalsContact C-N 3.3Å; F574-Y576 PolarHBondContact O-N 3.44Å; Y576-F578 PolarHBondContact O-N 2.97Å; Y576-A579 PolarHBondContact O-N 3.4Å; Y576-I580 HydrophobicContact CD1-CG1 4.12Å; Y576-I580 HydrophobicContact CE1-CD1 4.29Å; Y576-I580 HydrophobicContact CE1-CG1 3.74Å; Y576-I580 VanDerWaalsContact O-CG1 3.26Å; Y576-I580 WeakPolarHBondContact O-CG1 3.36Å; Y576-I580 PolarHBondContact O-N 3.38Å; Y576-F634 HydrophobicContact CD2-CZ 4.34Å
577	S	95.5	Very high	94	Very high	32 Å²	32	26.2 Å²	26.2	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-43.1	179.8	51.2	0	0	0	0	112.5	I573 F574 Y575 V581	I573-S577 PolarHBondContact O-N 3.28Å; I573-S577 PolarHBondContact O-OG 2.93Å; F574-S577 PolarHBondContact O-N 3.19Å; F574-S577 PolarHBondContact O-OG 3.46Å; Y575-S577 PolarHBondContact O-N 3.35Å; S577-V581 WeakPolarHBondContact O-CG2 3.3Å; S577-V581 PolarHBondContact O-N 2.96Å
578	F	96.7	Very high	94	Very high	31 Å²	31	31.9 Å²	31.9	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-35.3	179.1	-86	-89	0	0	0	112.6	F574 Y575 Y576 V581 G582 L637 Y664 T667 F668 V671	F574-F578 WeakPolarHBondContact O-CD2 3.33Å; F574-F578 PolarHBondContact O-N 3.27Å; Y575-F578 PolarHBondContact O-N 3.08Å; Y576-F578 PolarHBondContact O-N 2.97Å; F578-V581 PolarHBondContact O-N 3.22Å; F578-G582 PolarHBondContact O-N 3.19Å; F578-L637 HydrophobicContact CB-CD1 3.92Å; F578-L637 HydrophobicContact CB-CD2 4.4Å; F578-Y664 HydrophobicContact CD1-CD2 4.32Å; F578-Y664 AromaticContact CD1-CE2 3.72Å; F578-Y664 HydrophobicContact CD1-CE2 3.72Å; F578-Y664 HydrophobicContact CE1-CE2 4.47Å; F578-Y664 PolarHBondContact O-OH 3.45Å; F578-T667 HydrophobicContact CZ-CG2 4.34Å; F578-F668 HydrophobicContact CB-CD2 4.09Å; F578-F668 HydrophobicContact CB-CE2 4.4Å; F578-F668 HydrophobicContact CD1-CB 3.93Å; F578-F668 AromaticContact CD1-CD2 3.7Å; F578-F668 HydrophobicContact CD1-CD2 3.7Å; F578-F668 HydrophobicContact CD1-CG 4.27Å; F578-F668 HydrophobicContact CD2-CD2 4.01Å; F578-F668 HydrophobicContact CE1-CB 3.73Å; F578-F668 HydrophobicContact CE1-CD2 4.08Å; F578-F668 HydrophobicContact CE1-CG 4.42Å; F578-F668 HydrophobicContact CE2-CD2 4.36Å; F578-F668 AromaticContact CG-CD2 3.67Å; F578-F668 HydrophobicContact CG-CD2 3.67Å; F578-F668 HydrophobicContact CG-CE2 4.35Å; F578-F668 HydrophobicContact CZ-CB 4.37Å; F578-F668 HydrophobicContact CZ-CD2 4.39Å; F578-V671 HydrophobicContact CE2-CB 4.44Å; F578-V671 HydrophobicContact CE2-CG1 4.21Å; F578-V671 HydrophobicContact CZ-CB 4.43Å; F578-V671 HydrophobicContact CZ-CG2 4.34Å
579	A	96.9	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-43	178.5	0	0	0	0	0	111.1	Y575 Y576 V581 G582 M583 I630 F634 L637	Y575-A579 WeakPolarHBondContact O-CB 3.49Å; Y575-A579 PolarHBondContact O-N 3.14Å; Y576-A579 PolarHBondContact O-N 3.4Å; A579-V581 PolarHBondContact O-N 2.94Å; A579-G582 PolarHBondContact O-N 2.87Å; A579-M583 WeakPolarHBondContact O-CB 3.38Å; A579-M583 VanDerWaalsContact O-CG 3.24Å; A579-M583 WeakPolarHBondContact O-CG 3.47Å; A579-M583 PolarHBondContact O-N 3.43Å; A579-I630 HydrophobicContact CB-CD1 3.59Å; A579-F634 HydrophobicContact CB-CD1 3.8Å; A579-F634 HydrophobicContact CB-CE1 3.71Å; A579-L637 HydrophobicContact CB-CD1 3.81Å
580	I	96	Very high	94	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-46.9	174.9	-66.4	-75.1	0	0	0	111	R199 A200 Y576 G582 M583 E584 I630	R199-I580 HydrophobicContact CB-CD1 4.19Å; R199-I580 HydrophobicContact CB-CG2 3.87Å; A200-I580 HydrophobicContact CB-CB 4.17Å; A200-I580 HydrophobicContact CB-CG2 4.01Å; Y576-I580 HydrophobicContact CD1-CG1 4.12Å; Y576-I580 HydrophobicContact CE1-CD1 4.29Å; Y576-I580 HydrophobicContact CE1-CG1 3.74Å; Y576-I580 VanDerWaalsContact O-CG1 3.26Å; Y576-I580 WeakPolarHBondContact O-CG1 3.36Å; Y576-I580 PolarHBondContact O-N 3.38Å; I580-G582 VanDerWaalsContact C-N 3.35Å; I580-M583 HydrophobicContact CD1-CE 3.61Å; I580-M583 HydrophobicContact CG1-CE 4.31Å; I580-M583 PolarHBondContact O-N 3.06Å; I580-E584 VanDerWaalsContact O-CG 3.28Å; I580-E584 WeakPolarHBondContact O-CG 3.41Å; I580-E584 PolarHBondContact O-N 3.44Å; I580-E584 VanDerWaalsContact O-N 3.09Å; I580-I630 HydrophobicContact CD1-CD1 4.44Å
581	V	95.8	Very high	93.9	Very high	34 Å²	34	34.6 Å²	34.6	21%	0.206	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-46.8	176.1	172.3	0	0	0	0	110.4	V197 A200 S577 F578 A579 M583 E584 F585 Y664	V197-V581 HydrophobicContact CG1-CG2 4.17Å; A200-V581 HydrophobicContact CB-CG2 4.36Å; S577-V581 WeakPolarHBondContact O-CG2 3.3Å; S577-V581 PolarHBondContact O-N 2.96Å; F578-V581 PolarHBondContact O-N 3.22Å; A579-V581 PolarHBondContact O-N 2.94Å; V581-M583 PolarHBondContact O-N 2.99Å; V581-E584 PolarHBondContact O-N 3.14Å; V581-F585 HydrophobicContact CG1-CD2 3.73Å; V581-F585 HydrophobicContact CG1-CE2 3.88Å; V581-F585 WeakPolarHBondContact O-CD2 3.27Å; V581-F585 PolarHBondContact O-N 3.41Å; V581-F585 VanDerWaalsContact O-N 3.14Å; V581-Y664 HydrophobicContact CB-CE2 4.25Å; V581-Y664 HydrophobicContact CG1-CD2 4.04Å; V581-Y664 HydrophobicContact CG1-CE2 3.83Å
582	G	95.6	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-40.7	-179.7	0	0	0	0	0	113.1	F578 A579 I580 F586	F578-G582 PolarHBondContact O-N 3.19Å; A579-G582 PolarHBondContact O-N 2.87Å; I580-G582 VanDerWaalsContact C-N 3.35Å; G582-F586 WeakPolarHBondContact O-CA 3.27Å; G582-F586 WeakPolarHBondContact O-CB 3.48Å; G582-F586 WeakPolarHBondContact O-CD2 3.42Å; G582-F586 PolarHBondContact O-N 3.23Å
583	M	94.4	Very high	93.7	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-46.3	176.1	-75.8	-169.6	-58.9	0	0	112.3	P125 A579 I580 V581 F585 A587 F627 I630 S633	P125-M583 HydrophobicContact CG-CB 3.74Å; P125-M583 HydrophobicContact CG-CG 4.26Å; P125-M583 HydrophobicContact CG-SD 4.09Å; A579-M583 WeakPolarHBondContact O-CB 3.38Å; A579-M583 VanDerWaalsContact O-CG 3.24Å; A579-M583 WeakPolarHBondContact O-CG 3.47Å; A579-M583 PolarHBondContact O-N 3.43Å; I580-M583 HydrophobicContact CD1-CE 3.61Å; I580-M583 HydrophobicContact CG1-CE 4.31Å; I580-M583 PolarHBondContact O-N 3.06Å; V581-M583 PolarHBondContact O-N 2.99Å; M583-F585 VanDerWaalsContact C-N 3.3Å; M583-F585 PolarHBondContact O-N 2.98Å; M583-A587 WeakPolarHBondContact O-CB 3.41Å; M583-A587 PolarHBondContact O-N 3.28Å; M583-A587 VanDerWaalsContact O-N 3.09Å; M583-F627 WeakPolarHBondContact CA-O 3.31Å; M583-F627 WeakPolarHBondContact CG-O 3.49Å; M583-I630 HydrophobicContact CE-CB 3.99Å; M583-I630 HydrophobicContact CE-CD1 3.52Å; M583-I630 HydrophobicContact CE-CG1 4.32Å; M583-I630 WeakPolarHBondContact SD-CA 3.37Å; M583-I630 HydrophobicContact SD-CB 3.87Å; M583-I630 HydrophobicContact SD-CD1 4.26Å; M583-I630 PolarHBondContact SD-N 2.81Å; M583-S633 WeakPolarHBondContact CG-OG 3.31Å
584	E	93.5	Very high	93.4	Very high	24 Å²	24	35.7 Å²	35.7	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-34.6	-178.3	-64.9	-78.6	167.9	0	0	111.2	M195 R196 V197 R199 I580 V581	M195-E584 VanDerWaalsContact CA-OE2 3.26Å; M195-E584 WeakPolarHBondContact CA-OE2 3.39Å; M195-E584 HydrophobicContact CE-CB 4.1Å; M195-E584 WeakPolarHBondContact CE-O 3.49Å; R196-E584 VanDerWaalsContact N-CD 3.31Å; R196-E584 PolarHBondContact N-OE1 2.98Å; R196-E584 PolarHBondContact N-OE2 3.45Å; V197-E584 HydrophobicContact CG2-CB 4.26Å; V197-E584 HydrophobicContact CG2-CG 4.49Å; R199-E584 IonicContact CZ-OE1 3.93Å; R199-E584 IonicContact NE-OE1 3.3Å; R199-E584 IonicContact NH2-OE1 2.91Å; R199-E584 PolarHBondContact NH2-OE1 3.13Å; I580-E584 VanDerWaalsContact O-CG 3.28Å; I580-E584 WeakPolarHBondContact O-CG 3.41Å; I580-E584 PolarHBondContact O-N 3.44Å; I580-E584 VanDerWaalsContact O-N 3.09Å; V581-E584 PolarHBondContact O-N 3.14Å
585	F	93.2	Very high	93.2	Very high	116 Å²	116	34.4 Å²	34.4	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-91	-29.8	-180	-71.7	-64	0	0	0	115.5	M195 V197 V581 M583	M195-F585 HydrophobicContact CE-CD1 4.12Å; M195-F585 HydrophobicContact CE-CE1 4.2Å; V197-F585 HydrophobicContact CG2-CE2 4.38Å; V197-F585 HydrophobicContact CG2-CZ 4.44Å; V581-F585 HydrophobicContact CG1-CD2 3.73Å; V581-F585 HydrophobicContact CG1-CE2 3.88Å; V581-F585 WeakPolarHBondContact O-CD2 3.27Å; V581-F585 PolarHBondContact O-N 3.41Å; V581-F585 VanDerWaalsContact O-N 3.14Å; M583-F585 VanDerWaalsContact C-N 3.3Å; M583-F585 PolarHBondContact O-N 2.98Å
586	F	94.3	Very high	92.9	Very high	15 Å²	15	40 Å²	40	7%	0.066	21%	0.212	C	C	.	.	H	α-helix	trans	-124.1	11.4	-168.2	-46.1	-52.5	0	0	0	114.3	G582 D588 V589 F627 V653 T657 Y664	G582-F586 WeakPolarHBondContact O-CA 3.27Å; G582-F586 WeakPolarHBondContact O-CB 3.48Å; G582-F586 WeakPolarHBondContact O-CD2 3.42Å; G582-F586 PolarHBondContact O-N 3.23Å; F586-D588 PolarHBondContact O-N 3Å; F586-V589 HydrophobicContact CB-CG2 4.47Å; F586-V589 PolarHBondContact O-N 3.26Å; F586-F627 HydrophobicContact CB-CB 4.11Å; F586-F627 HydrophobicContact CB-CD2 4.02Å; F586-F627 HydrophobicContact CB-CG 4.28Å; F586-F627 HydrophobicContact CD2-CD2 4.29Å; F586-F627 HydrophobicContact CD2-CE2 4.48Å; F586-V653 HydrophobicContact CD1-CG1 3.53Å; F586-V653 HydrophobicContact CD2-CG1 4.46Å; F586-V653 HydrophobicContact CE1-CG1 3.7Å; F586-V653 HydrophobicContact CG-CG1 3.96Å; F586-V653 HydrophobicContact CZ-CG1 4.25Å; F586-T657 HydrophobicContact CD1-CG2 4.31Å; F586-Y664 AromaticContact CE2-CD1 3.7Å; F586-Y664 HydrophobicContact CE2-CD1 3.7Å; F586-Y664 HydrophobicContact CE2-CD2 4.28Å; F586-Y664 AromaticContact CE2-CE1 3.95Å; F586-Y664 HydrophobicContact CE2-CE1 3.95Å; F586-Y664 HydrophobicContact CE2-CE2 4.48Å; F586-Y664 AromaticContact CE2-CG 3.88Å; F586-Y664 HydrophobicContact CE2-CG 3.88Å; F586-Y664 HydrophobicContact CZ-CD1 4.39Å; F586-Y664 HydrophobicContact CZ-CG 4.32Å
587	A	90.9	Very high	92.4	Very high	32 Å²	32	45.2 Å²	45.2	26%	0.264	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	135.3	171.4	0	0	0	0	0	111.5	P125 M583 V589	P125-A587 HydrophobicContact CB-CB 4.4Å; P125-A587 HydrophobicContact CG-CB 4.4Å; M583-A587 WeakPolarHBondContact O-CB 3.41Å; M583-A587 PolarHBondContact O-N 3.28Å; M583-A587 VanDerWaalsContact O-N 3.09Å; A587-V589 PolarHBondContact O-N 2.85Å
588	D	89.9	Confident	92.1	Very high	124 Å²	124	45 Å²	45	66%	0.663	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	14	179	-60	-41.3	0	0	0	115.3	F586 N628	F586-D588 PolarHBondContact O-N 3Å; D588-N628 WeakPolarHBondContact CA-OD1 3.43Å; D588-N628 PolarHBondContact N-OD1 3.42Å; D588-N628 PolarHBondContact OD1-ND2 2.9Å
589	V	90.8	Very high	91.6	Very high	28 Å²	28	48.9 Å²	48.9	17%	0.17	27%	0.271	C	S	.	.			trans	-74.2	-38.9	178	169.9	0	0	0	0	111.7	F586 A587 M656 T657	F586-V589 HydrophobicContact CB-CG2 4.47Å; F586-V589 PolarHBondContact O-N 3.26Å; A587-V589 PolarHBondContact O-N 2.85Å; V589-M656 HydrophobicContact CG1-CB 3.41Å; V589-M656 VanDerWaalsContact CG1-CB 3.41Å; V589-M656 HydrophobicContact CG1-CG 4.12Å; V589-T657 HydrophobicContact CG1-CG2 3.67Å; V589-T657 HydrophobicContact CG2-CG2 4.11Å
590	V	91.4	Very high	91.3	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.273	C	S	.	.			trans	-99.5	123.2	-177.7	178.4	0	0	0	0	109	Y604 V653	V590-Y604 HydrophobicContact CG1-CD1 3.95Å; V590-Y604 HydrophobicContact CG1-CE1 3.55Å; V590-V653 HydrophobicContact CG2-CG2 4.01Å
591	F	90.4	Very high	91	Very high	110 Å²	110	50.6 Å²	50.6	48%	0.482	29%	0.285	S	S	.	.			trans	-141.2	163.6	179	57.7	-91.3	0	0	0	110.7	C594 M656	F591-C594 HydrophobicContact CD1-CB 4.24Å; F591-C594 HydrophobicContact CD2-CB 3.97Å; F591-C594 HydrophobicContact CE1-CB 4.03Å; F591-C594 HydrophobicContact CE2-CB 3.75Å; F591-C594 HydrophobicContact CG-CB 4.21Å; F591-C594 HydrophobicContact CZ-CB 3.78Å; F591-C594 VanDerWaalsContact O-CB 3.31Å; F591-C594 WeakPolarHBondContact O-CB 3.45Å; F591-C594 PolarHBondContact O-N 3.36Å; F591-C594 PolarHBondContact O-SG 2.81Å; F591-M656 HydrophobicContact CE1-SD 4.39Å
592	P	91.6	Very high	90.7	Very high	54 Å²	54	54.4 Å²	54.4	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	141.2	-176.2	-19.7	30.8	0	0	0	113	C594 Q606 Y623	P592-C594 VanDerWaalsContact C-N 3.28Å; P592-C594 PolarHBondContact O-N 3.47Å; P592-Q606 HydrophobicContact CB-CB 4.16Å; P592-Y623 HydrophobicContact CB-CD1 4.43Å; P592-Y623 HydrophobicContact CB-CD2 4.33Å; P592-Y623 HydrophobicContact CB-CG 4.25Å; P592-Y623 HydrophobicContact CG-CD2 3.88Å; P592-Y623 HydrophobicContact CG-CE2 4.25Å; P592-Y623 HydrophobicContact CG-CG 4.21Å
593	N	89.8	Confident	90.6	Very high	82 Å²	82	55.7 Å²	55.7	44%	0.439	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	24.8	-174.6	-64.1	-55.7	0	0	0	115.5	Y604 Q606	N593-Y604 WeakPolarHBondContact CA-O 3.5Å; N593-Y604 PolarHBondContact N-O 3.06Å; N593-Q606 PolarHBondContact ND2-O 3.34Å; N593-Q606 PolarHBondContact OD1-N 3.08Å; N593-Q606 PolarHBondContact OD1-O 3.03Å
594	C	89.3	Confident	90.5	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.047	31%	0.312	C	S	.	.			trans	-82.1	-173.7	169.2	73.3	0	0	0	0	111.9	F591 P592 N596 M656	F591-C594 HydrophobicContact CD1-CB 4.24Å; F591-C594 HydrophobicContact CD2-CB 3.97Å; F591-C594 HydrophobicContact CE1-CB 4.03Å; F591-C594 HydrophobicContact CE2-CB 3.75Å; F591-C594 HydrophobicContact CG-CB 4.21Å; F591-C594 HydrophobicContact CZ-CB 3.78Å; F591-C594 VanDerWaalsContact O-CB 3.31Å; F591-C594 WeakPolarHBondContact O-CB 3.45Å; F591-C594 PolarHBondContact O-N 3.36Å; F591-C594 PolarHBondContact O-SG 2.81Å; P592-C594 VanDerWaalsContact C-N 3.28Å; P592-C594 PolarHBondContact O-N 3.47Å; C594-N596 VanDerWaalsContact C-N 3.27Å; C594-N596 PolarHBondContact O-N 3.1Å; C594-M656 HydrophobicContact CB-CE 3.84Å; C594-M656 HydrophobicContact CB-SD 4.27Å
595	C	89.8	Confident	90.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.			trans	61.2	26.3	171.4	-55.8	0	0	0	0	114.9	T597 S598 A601 Y604 G652 S655 M656	C595-T597 PolarHBondContact O-N 3.45Å; C595-S598 PolarHBondContact O-N 3.21Å; C595-S598 PolarHBondContact O-OG 3.09Å; C595-A601 WeakPolarHBondContact O-CA 3.46Å; C595-A601 WeakPolarHBondContact O-CB 3.34Å; C595-Y604 HydrophobicContact CB-CD2 3.91Å; C595-Y604 HydrophobicContact CB-CG 4.19Å; C595-G652 PolarHBondContact SG-O 2.92Å; C595-G652 VanDerWaalsContact SG-O 3.32Å; C595-S655 PolarHBondContact SG-OG 2.63Å; C595-M656 VanDerWaalsContact CA-CE 3.46Å; C595-M656 HydrophobicContact CB-CE 4.28Å
596	N	88.4	Confident	90.3	Very high	127 Å²	127	55.5 Å²	55.5	68%	0.679	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	-175.1	63.9	-8.2	0	0	0	114.7	C594	C594-N596 VanDerWaalsContact C-N 3.27Å; C594-N596 PolarHBondContact O-N 3.1Å
597	T	86.4	Confident	90	Very high	120 Å²	120	58.7 Å²	58.7	74%	0.736	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.1	179.7	52.1	0	0	0	0	113.8	C595	C595-T597 PolarHBondContact O-N 3.45Å
598	S	88.6	Confident	89.9	Confident	28 Å²	28	62.7 Å²	62.7	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	-101.3	169.8	-176.7	66.9	0	0	0	0	112	C595 V600 A601	C595-S598 PolarHBondContact O-N 3.21Å; C595-S598 PolarHBondContact O-OG 3.09Å; S598-V600 PolarHBondContact O-N 3.11Å; S598-V600 WeakPolarHBondContact OG-CG2 3.21Å; S598-A601 PolarHBondContact O-N 3.12Å
599	T	86.4	Confident	89.7	Confident	113 Å²	113	61 Å²	61	69%	0.693	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.4	177.2	51.5	0	0	0	0	113.4	P258	P258-T599 HydrophobicContact CB-CG2 4.37Å
600	V	90.8	Very high	89.6	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.036	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9.9	-177.9	-62	0	0	0	0	113.4	S598 D602 S603 Y604 I648 E651	S598-V600 PolarHBondContact O-N 3.11Å; S598-V600 WeakPolarHBondContact OG-CG2 3.21Å; V600-D602 PolarHBondContact O-N 3.05Å; V600-D602 VanDerWaalsContact O-N 3.14Å; V600-S603 WeakPolarHBondContact O-CB 3.49Å; V600-S603 PolarHBondContact O-N 3.12Å; V600-Y604 HydrophobicContact CB-CE2 4.42Å; V600-Y604 HydrophobicContact CG2-CD2 4.23Å; V600-Y604 HydrophobicContact CG2-CE2 4.01Å; V600-Y604 WeakPolarHBondContact O-CD2 3.35Å; V600-I648 HydrophobicContact CB-CG2 4.28Å; V600-I648 HydrophobicContact CG1-CG2 4.27Å; V600-E651 HydrophobicContact CG1-CB 4.05Å; V600-E651 HydrophobicContact CG2-CB 4.17Å
601	A	89.8	Confident	89.3	Confident	31 Å²	31	71 Å²	71	26%	0.256	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-51.2	-38.3	-179	0	0	0	0	0	113.6	C595 S598 S603 Y604 R605	C595-A601 WeakPolarHBondContact O-CA 3.46Å; C595-A601 WeakPolarHBondContact O-CB 3.34Å; S598-A601 PolarHBondContact O-N 3.12Å; A601-S603 PolarHBondContact O-N 2.82Å; A601-Y604 PolarHBondContact O-N 3.06Å; A601-R605 PolarHBondContact O-N 3.33Å
602	D	90.2	Very high	89.2	Confident	114 Å²	114	69.2 Å²	69.2	61%	0.61	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-62.3	-29.8	179.6	-87	-40.6	0	0	0	113.4	V600 R605	V600-D602 PolarHBondContact O-N 3.05Å; V600-D602 VanDerWaalsContact O-N 3.14Å; D602-R605 WeakPolarHBondContact O-CD 3.42Å; D602-R605 WeakPolarHBondContact O-CG 3.21Å; D602-R605 IonicContact OD1-NH1 2.72Å; D602-R605 PolarHBondContact OD1-NH1 3.42Å
603	S	91.8	Very high	89.1	Confident	26 Å²	26	75 Å²	75	18%	0.182	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-77.3	-22.7	-179.7	-57.3	0	0	0	0	113.1	V600 A601 G620 Y622	V600-S603 WeakPolarHBondContact O-CB 3.49Å; V600-S603 PolarHBondContact O-N 3.12Å; A601-S603 PolarHBondContact O-N 2.82Å; S603-G620 CarbonylContact O-C 3.57Å; S603-G620 WeakPolarHBondContact O-CA 3.4Å; S603-G620 VanDerWaalsContact O-O 3.12Å; S603-Y622 WeakPolarHBondContact O-CB 3.34Å; S603-Y622 PolarHBondContact O-N 3.12Å
604	Y	92.9	Very high	88.9	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-103	5.8	-176.5	-71.4	-84.1	0	0	0	113.8	V590 N593 C595 V600 A601 Y622 I648	V590-Y604 HydrophobicContact CG1-CD1 3.95Å; V590-Y604 HydrophobicContact CG1-CE1 3.55Å; N593-Y604 WeakPolarHBondContact CA-O 3.5Å; N593-Y604 PolarHBondContact N-O 3.06Å; C595-Y604 HydrophobicContact CB-CD2 3.91Å; C595-Y604 HydrophobicContact CB-CG 4.19Å; V600-Y604 HydrophobicContact CB-CE2 4.42Å; V600-Y604 HydrophobicContact CG2-CD2 4.23Å; V600-Y604 HydrophobicContact CG2-CE2 4.01Å; V600-Y604 WeakPolarHBondContact O-CD2 3.35Å; A601-Y604 PolarHBondContact O-N 3.06Å; Y604-Y622 WeakPolarHBondContact CE1-O 3.5Å; Y604-I648 HydrophobicContact CE2-CG2 4.21Å; Y604-I648 PolarHBondContact OH-O 2.66Å
605	R	91.4	Very high	88.8	Confident	80 Å²	80	83.1 Å²	83.1	30%	0.302	46%	0.459	S	S	.	.			trans	-73.7	148.9	-178.7	79.4	-170.9	-168.8	-162.2	-0.1	113	A601 D602 I607 D618 E619 G620	A601-R605 PolarHBondContact O-N 3.33Å; D602-R605 WeakPolarHBondContact O-CD 3.42Å; D602-R605 WeakPolarHBondContact O-CG 3.21Å; D602-R605 IonicContact OD1-NH1 2.72Å; D602-R605 PolarHBondContact OD1-NH1 3.42Å; R605-I607 HydrophobicContact CB-CD1 4.42Å; R605-I607 HydrophobicContact CB-CG1 4.46Å; R605-D618 IonicContact CZ-OD1 3.44Å; R605-D618 IonicContact CZ-OD2 3.3Å; R605-D618 IonicContact NE-OD1 3.42Å; R605-D618 PolarHBondContact NE-OD1 3.06Å; R605-D618 IonicContact NE-OD2 2.79Å; R605-D618 IonicContact NH2-OD1 2.66Å; R605-D618 PolarHBondContact NH2-OD1 3.3Å; R605-D618 IonicContact NH2-OD2 3.5Å; R605-D618 PolarHBondContact NH2-OD2 3.26Å; R605-E619 CarbonylContact O-C 3.1Å; R605-E619 WeakPolarHBondContact O-CA 3.47Å; R605-G620 PolarHBondContact O-N 2.76Å
606	Q	91.1	Very high	88.6	Confident	60 Å²	60	87 Å²	87	28%	0.28	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	93.2	171.2	-179.7	178.2	38.8	0	0	108	P592 N593 L617 D618 E619 Y623	P592-Q606 HydrophobicContact CB-CB 4.16Å; N593-Q606 PolarHBondContact ND2-O 3.34Å; N593-Q606 PolarHBondContact OD1-N 3.08Å; N593-Q606 PolarHBondContact OD1-O 3.03Å; Q606-L617 HydrophobicContact CG-CD1 3.88Å; Q606-L617 HydrophobicContact CG-CG 4.29Å; Q606-D618 WeakPolarHBondContact CA-O 3.33Å; Q606-E619 HydrophobicContact CG-CG 4.09Å; Q606-E619 WeakPolarHBondContact CG-OE1 3.15Å; Q606-E619 PolarHBondContact NE2-OE1 3.48Å; Q606-Y623 HydrophobicContact CB-CE1 4.34Å
607	I	88.6	Confident	88.6	Confident	82 Å²	82	84.2 Å²	84.2	42%	0.421	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	-172.6	-55.7	172.9	0	0	0	110	R605 K609 D618	R605-I607 HydrophobicContact CB-CD1 4.42Å; R605-I607 HydrophobicContact CB-CG1 4.46Å; I607-K609 HydrophobicContact CG2-CG 4.49Å; I607-K609 PolarHBondContact O-N 3.36Å; I607-D618 PolarHBondContact N-O 3.3Å; I607-D618 PolarHBondContact O-N 3.48Å
608	N	89.2	Confident	88.6	Confident	116 Å²	116	80.1 Å²	80.1	62%	0.62	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	109.6	171.6	-75.5	-43.2	0	0	0	110.4	L617	N608-L617 WeakPolarHBondContact OD1-CD1 3.47Å
609	K	86.1	Confident	88.6	Confident	89 Å²	89	80.7 Å²	80.7	39%	0.387	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.3	173	-70.5	-177.2	174.3	168	0	110.2	I607 F611 V616 D618	I607-K609 HydrophobicContact CG2-CG 4.49Å; I607-K609 PolarHBondContact O-N 3.36Å; K609-F611 HydrophobicContact CB-CD2 4.44Å; K609-F611 HydrophobicContact CB-CE2 3.8Å; K609-F611 HydrophobicContact CB-CZ 4.37Å; K609-V616 PolarHBondContact N-O 2.99Å; K609-V616 PolarHBondContact O-N 3.07Å; K609-V616 VanDerWaalsContact O-O 3.14Å; K609-D618 HydrophobicContact CD-CB 4.09Å; K609-D618 VanDerWaalsContact CE-OD2 3.28Å; K609-D618 WeakPolarHBondContact CE-OD2 3.23Å; K609-D618 HydrophobicContact CG-CB 4.46Å; K609-D618 IonicContact NZ-OD2 3.54Å; K609-D618 PolarHBondContact NZ-OD2 3.37Å
610	T	87.4	Confident	88.7	Confident	102 Å²	102	76.2 Å²	76.2	63%	0.626	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.9	176	40.8	0	0	0	0	110.9	T615	T610-T615 HydrophobicContact CG2-CG2 3.49Å; T610-T615 VanDerWaalsContact CG2-CG2 3.49Å
611	F	85.9	Confident	88.8	Confident	145 Å²	145	82.3 Å²	82.3	64%	0.636	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	95.7	169.3	-63.1	-80.9	0	0	0	108.9	K609 N613 K614	K609-F611 HydrophobicContact CB-CD2 4.44Å; K609-F611 HydrophobicContact CB-CE2 3.8Å; K609-F611 HydrophobicContact CB-CZ 4.37Å; F611-N613 PolarHBondContact O-N 2.86Å; F611-K614 PolarHBondContact N-O 3.11Å; F611-K614 PolarHBondContact O-N 3.01Å; F611-K614 VanDerWaalsContact O-N 3.15Å
612	G	87.4	Confident	89	Confident	71 Å²	71	83.4 Å²	83.4	73%	0.732	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-119.6	-172.8	0	0	0	0	0	111.5
613	N	89.6	Confident	89.1	Confident	175 Å²	175	78.9 Å²	78.9	94%	0.936	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.2	178	-71.6	0.1	0	0	0	114.3	F611	F611-N613 PolarHBondContact O-N 2.86Å
614	K	85.6	Confident	89.2	Confident	158 Å²	158	82.5 Å²	82.5	69%	0.687	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.7	-179.8	-67.2	-176.7	-179.8	-179.4	0	110.3	F611	F611-K614 PolarHBondContact N-O 3.11Å; F611-K614 PolarHBondContact O-N 3.01Å; F611-K614 VanDerWaalsContact O-N 3.15Å
615	T	86.5	Confident	89.3	Confident	102 Å²	102	83.4 Å²	83.4	63%	0.626	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.4	164.2	47.5	0	0	0	0	108.4	T610	T610-T615 HydrophobicContact CG2-CG2 3.49Å; T610-T615 VanDerWaalsContact CG2-CG2 3.49Å
616	V	86.9	Confident	89.4	Confident	81 Å²	81	80.6 Å²	80.6	49%	0.491	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.5	170.3	-177	0	0	0	0	107.8	K609	K609-V616 PolarHBondContact N-O 2.99Å; K609-V616 PolarHBondContact O-N 3.07Å; K609-V616 VanDerWaalsContact O-O 3.14Å
617	L	87.4	Confident	89.6	Confident	70 Å²	70	77.9 Å²	77.9	37%	0.366	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.1	179.4	-163.8	65.8	0	0	0	108.4	Q606 N608 E619	Q606-L617 HydrophobicContact CG-CD1 3.88Å; Q606-L617 HydrophobicContact CG-CG 4.29Å; N608-L617 WeakPolarHBondContact OD1-CD1 3.47Å; L617-E619 HydrophobicContact CB-CG 4.34Å; L617-E619 HydrophobicContact CD2-CG 3.85Å; L617-E619 WeakPolarHBondContact CD2-OE1 3.27Å; L617-E619 HydrophobicContact CG-CG 3.53Å
618	D	85.9	Confident	89.8	Confident	34 Å²	34	76 Å²	76	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107	174.3	-176.6	2.8	0	0	0	108.2	R605 Q606 I607 K609	R605-D618 IonicContact CZ-OD1 3.44Å; R605-D618 IonicContact CZ-OD2 3.3Å; R605-D618 IonicContact NE-OD1 3.42Å; R605-D618 PolarHBondContact NE-OD1 3.06Å; R605-D618 IonicContact NE-OD2 2.79Å; R605-D618 IonicContact NH2-OD1 2.66Å; R605-D618 PolarHBondContact NH2-OD1 3.3Å; R605-D618 IonicContact NH2-OD2 3.5Å; R605-D618 PolarHBondContact NH2-OD2 3.26Å; Q606-D618 WeakPolarHBondContact CA-O 3.33Å; I607-D618 PolarHBondContact N-O 3.3Å; I607-D618 PolarHBondContact O-N 3.48Å; K609-D618 HydrophobicContact CD-CB 4.09Å; K609-D618 VanDerWaalsContact CE-OD2 3.28Å; K609-D618 WeakPolarHBondContact CE-OD2 3.23Å; K609-D618 HydrophobicContact CG-CB 4.46Å; K609-D618 IonicContact NZ-OD2 3.54Å; K609-D618 PolarHBondContact NZ-OD2 3.37Å
619	E	90	Very high	90	Very high	39 Å²	39	71.6 Å²	71.6	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.8	-171.5	-53.8	-172.1	120.2	0	0	111.2	R605 Q606 L617 Y621 Y623	R605-E619 CarbonylContact O-C 3.1Å; R605-E619 WeakPolarHBondContact O-CA 3.47Å; Q606-E619 HydrophobicContact CG-CG 4.09Å; Q606-E619 WeakPolarHBondContact CG-OE1 3.15Å; Q606-E619 PolarHBondContact NE2-OE1 3.48Å; L617-E619 HydrophobicContact CB-CG 4.34Å; L617-E619 HydrophobicContact CD2-CG 3.85Å; L617-E619 WeakPolarHBondContact CD2-OE1 3.27Å; L617-E619 HydrophobicContact CG-CG 3.53Å; E619-Y621 HydrophobicContact CB-CD1 4.05Å; E619-Y621 HydrophobicContact CB-CD2 4.43Å; E619-Y621 HydrophobicContact CB-CE1 3.79Å; E619-Y621 HydrophobicContact CB-CE2 4.2Å; E619-Y621 HydrophobicContact CB-CG 4.36Å; E619-Y621 HydrophobicContact CG-CE1 4.41Å; E619-Y621 WeakPolarHBondContact O-CE2 3.18Å; E619-Y621 WeakPolarHBondContact OE2-CE1 3.41Å; E619-Y623 HydrophobicContact CB-CE1 4.4Å; E619-Y623 PolarHBondContact OE1-OH 3.3Å
620	G	88.4	Confident	90.4	Very high	19 Å²	19	67.6 Å²	67.6	20%	0.196	36%	0.363	C	S	.	.			trans	-87.1	-7	169.9	0	0	0	0	0	114	S603 R605 Y622	S603-G620 CarbonylContact O-C 3.57Å; S603-G620 WeakPolarHBondContact O-CA 3.4Å; S603-G620 VanDerWaalsContact O-O 3.12Å; R605-G620 PolarHBondContact O-N 2.76Å; G620-Y622 WeakPolarHBondContact O-CD2 3.41Å; G620-Y622 PolarHBondContact O-N 3.19Å
621	Y	93.4	Very high	90.7	Very high	135 Å²	135	67 Å²	67	53%	0.529	36%	0.355	S	S	.	.			trans	59.9	-18	176.3	-58.3	-70.1	0	0	0	118.1	E619 Y623 L624	E619-Y621 HydrophobicContact CB-CD1 4.05Å; E619-Y621 HydrophobicContact CB-CD2 4.43Å; E619-Y621 HydrophobicContact CB-CE1 3.79Å; E619-Y621 HydrophobicContact CB-CE2 4.2Å; E619-Y621 HydrophobicContact CB-CG 4.36Å; E619-Y621 HydrophobicContact CG-CE1 4.41Å; E619-Y621 WeakPolarHBondContact O-CE2 3.18Å; E619-Y621 WeakPolarHBondContact OE2-CE1 3.41Å; Y621-Y623 PolarHBondContact O-N 3.48Å; Y621-Y623 VanDerWaalsContact O-N 3.08Å; Y621-L624 HydrophobicContact CD1-CD1 4.23Å; Y621-L624 VanDerWaalsContact O-CB 3.3Å; Y621-L624 WeakPolarHBondContact O-CB 3.31Å; Y621-L624 WeakPolarHBondContact O-CG 3.45Å; Y621-L624 PolarHBondContact O-N 3.18Å
622	Y	93.1	Very high	91	Very high	53 Å²	53	61.6 Å²	61.6	21%	0.208	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65	-15.7	-176.1	-86.8	-92.5	0	0	0	114.5	S603 Y604 G620 L624 N625 N645 I648	S603-Y622 WeakPolarHBondContact O-CB 3.34Å; S603-Y622 PolarHBondContact O-N 3.12Å; Y604-Y622 WeakPolarHBondContact CE1-O 3.5Å; G620-Y622 WeakPolarHBondContact O-CD2 3.41Å; G620-Y622 PolarHBondContact O-N 3.19Å; Y622-L624 PolarHBondContact O-N 3.29Å; Y622-N625 PolarHBondContact O-N 3.14Å; Y622-N645 VanDerWaalsContact OH-CB 3.26Å; Y622-N645 WeakPolarHBondContact OH-CB 3.27Å; Y622-N645 PolarHBondContact OH-ND2 3.02Å; Y622-I648 HydrophobicContact CD1-CB 4.33Å; Y622-I648 HydrophobicContact CD1-CG2 3.74Å; Y622-I648 HydrophobicContact CD2-CG2 4.32Å; Y622-I648 HydrophobicContact CE1-CB 4.04Å; Y622-I648 HydrophobicContact CE1-CD1 4.42Å; Y622-I648 HydrophobicContact CE1-CG2 3.88Å; Y622-I648 HydrophobicContact CE2-CD1 4.27Å; Y622-I648 HydrophobicContact CE2-CG2 4.44Å; Y622-I648 HydrophobicContact CG-CG2 3.98Å
623	Y	92	Very high	91.5	Very high	20 Å²	20	58.2 Å²	58.2	8%	0.078	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.3	171.7	58.5	-95.9	0	0	0	113.4	P592 Q606 E619 Y621 N625	P592-Y623 HydrophobicContact CB-CD1 4.43Å; P592-Y623 HydrophobicContact CB-CD2 4.33Å; P592-Y623 HydrophobicContact CB-CG 4.25Å; P592-Y623 HydrophobicContact CG-CD2 3.88Å; P592-Y623 HydrophobicContact CG-CE2 4.25Å; P592-Y623 HydrophobicContact CG-CG 4.21Å; Q606-Y623 HydrophobicContact CB-CE1 4.34Å; E619-Y623 HydrophobicContact CB-CE1 4.4Å; E619-Y623 PolarHBondContact OE1-OH 3.3Å; Y621-Y623 PolarHBondContact O-N 3.48Å; Y621-Y623 VanDerWaalsContact O-N 3.08Å; Y623-N625 VanDerWaalsContact C-N 3.29Å
624	L	93.5	Very high	91.8	Very high	101 Å²	101	52.6 Å²	52.6	53%	0.529	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-73.3	-24	173.4	-62	175.9	0	0	0	112.2	Y621 Y622 N626	Y621-L624 HydrophobicContact CD1-CD1 4.23Å; Y621-L624 VanDerWaalsContact O-CB 3.3Å; Y621-L624 WeakPolarHBondContact O-CB 3.31Å; Y621-L624 WeakPolarHBondContact O-CG 3.45Å; Y621-L624 PolarHBondContact O-N 3.18Å; Y622-L624 PolarHBondContact O-N 3.29Å; L624-N626 PolarHBondContact O-N 2.85Å; L624-N626 VanDerWaalsContact O-N 3.1Å; L624-N626 PolarHBondContact O-ND2 3.44Å
625	N	94.9	Very high	92.3	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.107	26%	0.258	C	S	.	.	S	Bend	trans	-84.1	82.8	177.5	-66.9	-16.1	0	0	0	109.7	Y622 Y623 T636 E639	Y622-N625 PolarHBondContact O-N 3.14Å; Y623-N625 VanDerWaalsContact C-N 3.29Å; N625-T636 HydrophobicContact CB-CG2 4.29Å; N625-E639 VanDerWaalsContact CG-OE2 3.3Å; N625-E639 PolarHBondContact ND2-OE2 3.3Å; N625-E639 PolarHBondContact OD1-OE2 3.14Å
626	N	93.4	Very high	92.7	Very high	21 Å²	21	44 Å²	44	11%	0.112	23%	0.229	C	C	.	.			trans	-123.8	170.8	-175.9	63.3	60	0	0	0	112.1	L624 N628 S632 T636	L624-N626 PolarHBondContact O-N 2.85Å; L624-N626 VanDerWaalsContact O-N 3.1Å; L624-N626 PolarHBondContact O-ND2 3.44Å; N626-N628 WeakPolarHBondContact OD1-CB 3.46Å; N626-N628 PolarHBondContact OD1-N 3.36Å; N626-N628 VanDerWaalsContact OD1-N 3.11Å; N626-S632 CarbonylContact O-C 3.07Å; N626-S632 WeakPolarHBondContact OD1-CB 3.44Å; N626-T636 PolarHBondContact N-OG1 3.29Å; N626-T636 PolarHBondContact O-OG1 3.22Å
627	F	95.6	Very high	93.2	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	21%	0.205	C	C	.	.			trans	-110.1	34	175.7	-66.6	-90.2	0	0	0	111.2	M583 F586 D629 S633 T636 L637 Y664 F665	M583-F627 WeakPolarHBondContact CA-O 3.31Å; M583-F627 WeakPolarHBondContact CG-O 3.49Å; F586-F627 HydrophobicContact CB-CB 4.11Å; F586-F627 HydrophobicContact CB-CD2 4.02Å; F586-F627 HydrophobicContact CB-CG 4.28Å; F586-F627 HydrophobicContact CD2-CD2 4.29Å; F586-F627 HydrophobicContact CD2-CE2 4.48Å; F627-D629 VanDerWaalsContact C-N 3.34Å; F627-S633 WeakPolarHBondContact CA-OG 3.38Å; F627-S633 WeakPolarHBondContact CD1-OG 3.5Å; F627-T636 HydrophobicContact CE2-CG2 3.94Å; F627-T636 HydrophobicContact CZ-CG2 3.83Å; F627-L637 HydrophobicContact CE1-CD2 4.11Å; F627-L637 HydrophobicContact CE1-CG 4.36Å; F627-L637 HydrophobicContact CZ-CD2 4.37Å; F627-Y664 HydrophobicContact CZ-CE1 4.3Å; F627-F665 HydrophobicContact CE2-CE1 4.38Å; F627-F665 HydrophobicContact CE2-CZ 4.33Å; F627-F665 HydrophobicContact CZ-CE1 4.39Å
628	N	93.4	Very high	93.6	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.23	21%	0.213	C	C	.	.	S	Bend	trans	-78.2	-22.3	-176	-62.8	-3.9	0	0	0	112.5	P125 D588 N626	P125-N628 WeakPolarHBondContact CB-O 3.28Å; D588-N628 WeakPolarHBondContact CA-OD1 3.43Å; D588-N628 PolarHBondContact N-OD1 3.42Å; D588-N628 PolarHBondContact OD1-ND2 2.9Å; N626-N628 WeakPolarHBondContact OD1-CB 3.46Å; N626-N628 PolarHBondContact OD1-N 3.36Å; N626-N628 VanDerWaalsContact OD1-N 3.11Å
629	D	93.3	Very high	94.1	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.123	22%	0.222	C	C	.	.	S	Bend	trans	-149.8	166.5	176.1	69.9	66.4	0	0	0	110.5	V127 F627 L631 S632 S633	V127-D629 HydrophobicContact CG2-CB 4.11Å; F627-D629 VanDerWaalsContact C-N 3.34Å; D629-L631 VanDerWaalsContact C-N 3.29Å; D629-L631 PolarHBondContact O-N 3.43Å; D629-L631 WeakPolarHBondContact OD1-CA 3.39Å; D629-L631 WeakPolarHBondContact OD1-CB 3.16Å; D629-L631 PolarHBondContact OD1-N 3.41Å; D629-S632 VanDerWaalsContact CG-OG 3.27Å; D629-S632 WeakPolarHBondContact OD1-CB 3.39Å; D629-S632 PolarHBondContact OD1-N 3.01Å; D629-S632 PolarHBondContact OD1-OG 3.33Å; D629-S632 PolarHBondContact OD2-OG 3.3Å; D629-S633 VanDerWaalsContact O-CB 3.25Å; D629-S633 WeakPolarHBondContact O-CB 3.14Å; D629-S633 PolarHBondContact O-N 2.89Å; D629-S633 PolarHBondContact O-OG 3.1Å
630	I	93.7	Very high	94.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-30.2	-174.4	-171	68.5	0	0	0	112.6	L121 A579 I580 M583 F634	L121-I630 HydrophobicContact CD2-CG2 3.64Å; L121-I630 HydrophobicContact CG-CG2 3.94Å; A579-I630 HydrophobicContact CB-CD1 3.59Å; I580-I630 HydrophobicContact CD1-CD1 4.44Å; M583-I630 HydrophobicContact CE-CB 3.99Å; M583-I630 HydrophobicContact CE-CD1 3.52Å; M583-I630 HydrophobicContact CE-CG1 4.32Å; M583-I630 WeakPolarHBondContact SD-CA 3.37Å; M583-I630 HydrophobicContact SD-CB 3.87Å; M583-I630 HydrophobicContact SD-CD1 4.26Å; M583-I630 PolarHBondContact SD-N 2.81Å; I630-F634 HydrophobicContact CD1-CD1 4.36Å; I630-F634 HydrophobicContact CD1-CE1 3.85Å; I630-F634 HydrophobicContact CD1-CZ 4.21Å; I630-F634 HydrophobicContact CG1-CE1 4.21Å; I630-F634 HydrophobicContact CG1-CZ 4.22Å; I630-F634 WeakPolarHBondContact O-CB 3.42Å; I630-F634 WeakPolarHBondContact O-CD1 3.21Å; I630-F634 WeakPolarHBondContact O-CG 3.15Å; I630-F634 PolarHBondContact O-N 3.37Å
631	L	94.1	Very high	94.7	Very high	88 Å²	88	43.1 Å²	43.1	46%	0.461	21%	0.21	S	C	.	.	H	α-helix	trans	-76.9	-47.5	-178.4	-61.4	177.2	0	0	0	110.7	L121 V127 D629 S633 F634 V635	L121-L631 HydrophobicContact CD2-CD1 4.19Å; L121-L631 HydrophobicContact CD2-CD2 3.96Å; L121-L631 HydrophobicContact CD2-CG 3.99Å; V127-L631 HydrophobicContact CG2-CD1 3.99Å; V127-L631 HydrophobicContact CG2-CG 4.2Å; D629-L631 VanDerWaalsContact C-N 3.29Å; D629-L631 PolarHBondContact O-N 3.43Å; D629-L631 WeakPolarHBondContact OD1-CA 3.39Å; D629-L631 WeakPolarHBondContact OD1-CB 3.16Å; D629-L631 PolarHBondContact OD1-N 3.41Å; L631-S633 VanDerWaalsContact C-N 3.28Å; L631-S633 PolarHBondContact O-N 3.25Å; L631-F634 WeakPolarHBondContact O-CB 3.24Å; L631-F634 PolarHBondContact O-N 3.48Å; L631-F634 VanDerWaalsContact O-N 3.12Å; L631-V635 WeakPolarHBondContact O-CG2 3.33Å; L631-V635 PolarHBondContact O-N 2.96Å
632	S	93.7	Very high	94.6	Very high	33 Å²	33	41.1 Å²	41.1	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-40.5	172.9	-60.2	0	0	0	0	110.8	N626 D629 V635 T636	N626-S632 CarbonylContact O-C 3.07Å; N626-S632 WeakPolarHBondContact OD1-CB 3.44Å; D629-S632 VanDerWaalsContact CG-OG 3.27Å; D629-S632 WeakPolarHBondContact OD1-CB 3.39Å; D629-S632 PolarHBondContact OD1-N 3.01Å; D629-S632 PolarHBondContact OD1-OG 3.33Å; D629-S632 PolarHBondContact OD2-OG 3.3Å; S632-V635 PolarHBondContact O-N 3.4Å; S632-T636 WeakPolarHBondContact O-CB 3.37Å; S632-T636 PolarHBondContact O-N 3.07Å; S632-T636 PolarHBondContact O-OG1 3.46Å
633	S	96.1	Very high	94.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-42.7	172.7	-58.8	0	0	0	0	111.9	M583 F627 D629 L631 T636 L637	M583-S633 WeakPolarHBondContact CG-OG 3.31Å; F627-S633 WeakPolarHBondContact CA-OG 3.38Å; F627-S633 WeakPolarHBondContact CD1-OG 3.5Å; D629-S633 VanDerWaalsContact O-CB 3.25Å; D629-S633 WeakPolarHBondContact O-CB 3.14Å; D629-S633 PolarHBondContact O-N 2.89Å; D629-S633 PolarHBondContact O-OG 3.1Å; L631-S633 VanDerWaalsContact C-N 3.28Å; L631-S633 PolarHBondContact O-N 3.25Å; S633-T636 PolarHBondContact O-N 3.41Å; S633-L637 WeakPolarHBondContact O-CB 3.35Å; S633-L637 VanDerWaalsContact O-CG 3.25Å; S633-L637 WeakPolarHBondContact O-CG 3.33Å; S633-L637 PolarHBondContact O-N 3.03Å
634	F	96	Very high	94.6	Very high	56 Å²	56	44.5 Å²	44.5	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-40.2	176.7	-82.3	3.3	0	0	0	113.1	Y576 A579 I630 L631 F638	Y576-F634 HydrophobicContact CD2-CZ 4.34Å; A579-F634 HydrophobicContact CB-CD1 3.8Å; A579-F634 HydrophobicContact CB-CE1 3.71Å; I630-F634 HydrophobicContact CD1-CD1 4.36Å; I630-F634 HydrophobicContact CD1-CE1 3.85Å; I630-F634 HydrophobicContact CD1-CZ 4.21Å; I630-F634 HydrophobicContact CG1-CE1 4.21Å; I630-F634 HydrophobicContact CG1-CZ 4.22Å; I630-F634 WeakPolarHBondContact O-CB 3.42Å; I630-F634 WeakPolarHBondContact O-CD1 3.21Å; I630-F634 WeakPolarHBondContact O-CG 3.15Å; I630-F634 PolarHBondContact O-N 3.37Å; L631-F634 WeakPolarHBondContact O-CB 3.24Å; L631-F634 PolarHBondContact O-N 3.48Å; L631-F634 VanDerWaalsContact O-N 3.12Å; F634-F638 VanDerWaalsContact O-CB 3.3Å; F634-F638 WeakPolarHBondContact O-CB 3.27Å; F634-F638 PolarHBondContact O-N 3.47Å
635	V	96.1	Very high	94.6	Very high	79 Å²	79	42.2 Å²	42.2	48%	0.479	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-46.9	174.2	176.9	0	0	0	0	110	L631 S632 L637 F638 E639	L631-V635 WeakPolarHBondContact O-CG2 3.33Å; L631-V635 PolarHBondContact O-N 2.96Å; S632-V635 PolarHBondContact O-N 3.4Å; V635-L637 PolarHBondContact O-N 3.22Å; V635-F638 WeakPolarHBondContact O-CB 3.13Å; V635-F638 PolarHBondContact O-N 2.9Å; V635-F638 VanDerWaalsContact O-N 3.14Å; V635-E639 WeakPolarHBondContact O-CG 3.42Å; V635-E639 PolarHBondContact O-N 2.91Å
636	T	96	Very high	94.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-46.4	177.9	-57.4	0	0	0	0	111.6	N625 N626 F627 S632 S633 F638 E639 L640 T649	N625-T636 HydrophobicContact CB-CG2 4.29Å; N626-T636 PolarHBondContact N-OG1 3.29Å; N626-T636 PolarHBondContact O-OG1 3.22Å; F627-T636 HydrophobicContact CE2-CG2 3.94Å; F627-T636 HydrophobicContact CZ-CG2 3.83Å; S632-T636 WeakPolarHBondContact O-CB 3.37Å; S632-T636 PolarHBondContact O-N 3.07Å; S632-T636 PolarHBondContact O-OG1 3.46Å; S633-T636 PolarHBondContact O-N 3.41Å; T636-F638 VanDerWaalsContact C-N 3.33Å; T636-F638 PolarHBondContact O-N 3.39Å; T636-E639 PolarHBondContact O-N 3.21Å; T636-L640 HydrophobicContact CG2-CD1 4.44Å; T636-L640 VanDerWaalsContact O-CG 3.29Å; T636-L640 WeakPolarHBondContact O-CG 3.3Å; T636-L640 PolarHBondContact O-N 3.32Å; T636-T649 HydrophobicContact CG2-CG2 4.19Å
637	L	97.1	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-36.6	176.2	-68.9	-178.8	0	0	0	112.5	Y575 F578 A579 F627 S633 V635 L640 T641 F668	Y575-L637 WeakPolarHBondContact O-CD1 3.23Å; F578-L637 HydrophobicContact CB-CD1 3.92Å; F578-L637 HydrophobicContact CB-CD2 4.4Å; A579-L637 HydrophobicContact CB-CD1 3.81Å; F627-L637 HydrophobicContact CE1-CD2 4.11Å; F627-L637 HydrophobicContact CE1-CG 4.36Å; F627-L637 HydrophobicContact CZ-CD2 4.37Å; S633-L637 WeakPolarHBondContact O-CB 3.35Å; S633-L637 VanDerWaalsContact O-CG 3.25Å; S633-L637 WeakPolarHBondContact O-CG 3.33Å; S633-L637 PolarHBondContact O-N 3.03Å; V635-L637 PolarHBondContact O-N 3.22Å; L637-L640 HydrophobicContact CD2-CD1 4.15Å; L637-L640 PolarHBondContact O-N 2.98Å; L637-T641 PolarHBondContact O-N 2.71Å; L637-T641 PolarHBondContact O-OG1 2.82Å; L637-F668 HydrophobicContact CB-CE2 4.33Å; L637-F668 HydrophobicContact CB-CZ 3.97Å; L637-F668 HydrophobicContact CD1-CE2 4.45Å; L637-F668 HydrophobicContact CD2-CD2 4.07Å; L637-F668 HydrophobicContact CD2-CE1 4.28Å; L637-F668 HydrophobicContact CD2-CE2 3.78Å; L637-F668 HydrophobicContact CD2-CG 4.43Å; L637-F668 HydrophobicContact CD2-CZ 3.88Å; L637-F668 HydrophobicContact CG-CE2 4.4Å; L637-F668 HydrophobicContact CG-CZ 4.43Å; L637-F668 WeakPolarHBondContact O-CZ 3.28Å
638	F	96.3	Very high	94.6	Very high	119 Å²	119	43.2 Å²	43.2	52%	0.522	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-44.6	174.2	173.8	-99.2	0	0	0	111.5	Y575 F634 V635 T636 L640 T641 V642	Y575-F638 HydrophobicContact CE2-CB 4.38Å; F634-F638 VanDerWaalsContact O-CB 3.3Å; F634-F638 WeakPolarHBondContact O-CB 3.27Å; F634-F638 PolarHBondContact O-N 3.47Å; V635-F638 WeakPolarHBondContact O-CB 3.13Å; V635-F638 PolarHBondContact O-N 2.9Å; V635-F638 VanDerWaalsContact O-N 3.14Å; T636-F638 VanDerWaalsContact C-N 3.33Å; T636-F638 PolarHBondContact O-N 3.39Å; F638-L640 VanDerWaalsContact C-N 3.31Å; F638-L640 PolarHBondContact O-N 3.07Å; F638-T641 WeakPolarHBondContact O-CB 3.05Å; F638-T641 PolarHBondContact O-N 2.7Å; F638-T641 VanDerWaalsContact O-N 3.14Å; F638-V642 HydrophobicContact CE1-CG2 4.41Å; F638-V642 HydrophobicContact CZ-CG2 4.38Å; F638-V642 PolarHBondContact O-N 3.49Å
639	E	95.3	Very high	94.7	Very high	80 Å²	80	41.4 Å²	41.4	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-41.1	174.8	-70	-174.4	-172	0	0	111.9	N625 V635 T636 T641 V642	N625-E639 VanDerWaalsContact CG-OE2 3.3Å; N625-E639 PolarHBondContact ND2-OE2 3.3Å; N625-E639 PolarHBondContact OD1-OE2 3.14Å; V635-E639 WeakPolarHBondContact O-CG 3.42Å; V635-E639 PolarHBondContact O-N 2.91Å; T636-E639 PolarHBondContact O-N 3.21Å; E639-T641 VanDerWaalsContact C-N 3.32Å; E639-T641 PolarHBondContact O-N 3.44Å; E639-V642 PolarHBondContact O-N 3.28Å
640	L	95.9	Very high	94.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-33.6	175	-66	172.7	0	0	0	112.6	T636 L637 F638 V642 V643 W646 F665 F668	T636-L640 HydrophobicContact CG2-CD1 4.44Å; T636-L640 VanDerWaalsContact O-CG 3.29Å; T636-L640 WeakPolarHBondContact O-CG 3.3Å; T636-L640 PolarHBondContact O-N 3.32Å; L637-L640 HydrophobicContact CD2-CD1 4.15Å; L637-L640 PolarHBondContact O-N 2.98Å; F638-L640 VanDerWaalsContact C-N 3.31Å; F638-L640 PolarHBondContact O-N 3.07Å; L640-V642 VanDerWaalsContact C-N 3.28Å; L640-V642 PolarHBondContact O-N 3.15Å; L640-V643 PolarHBondContact O-N 3.29Å; L640-V643 VanDerWaalsContact O-N 3.12Å; L640-W646 HydrophobicContact CD2-CB 3.66Å; L640-F665 HydrophobicContact CD1-CD1 3.81Å; L640-F665 HydrophobicContact CD1-CE1 3.85Å; L640-F665 HydrophobicContact CD2-CD1 4.37Å; L640-F668 HydrophobicContact CB-CD1 4Å; L640-F668 HydrophobicContact CB-CE1 3.5Å; L640-F668 HydrophobicContact CB-CZ 4.5Å; L640-F668 HydrophobicContact CD1-CD1 4.29Å; L640-F668 HydrophobicContact CD1-CE1 4.32Å
641	T	95	Very high	94.8	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-25.3	175.2	-65.1	0	0	0	0	113.1	Y575 L637 F638 E639 V643 T672 M676	Y575-T641 WeakPolarHBondContact CE1-OG1 3.26Å; Y575-T641 WeakPolarHBondContact OH-CB 3.44Å; Y575-T641 WeakPolarHBondContact OH-CG2 3.24Å; Y575-T641 PolarHBondContact OH-OG1 3.46Å; L637-T641 PolarHBondContact O-N 2.71Å; L637-T641 PolarHBondContact O-OG1 2.82Å; F638-T641 WeakPolarHBondContact O-CB 3.05Å; F638-T641 PolarHBondContact O-N 2.7Å; F638-T641 VanDerWaalsContact O-N 3.14Å; E639-T641 VanDerWaalsContact C-N 3.32Å; E639-T641 PolarHBondContact O-N 3.44Å; T641-V643 PolarHBondContact O-N 3.44Å; T641-T672 WeakPolarHBondContact CG2-OG1 3.34Å; T641-T672 PolarHBondContact OG1-OG1 3.2Å; T641-M676 HydrophobicContact CG2-CE 3.55Å; T641-M676 HydrophobicContact CG2-CG 3.82Å
642	V	92.6	Very high	94.7	Very high	94 Å²	94	37.3 Å²	37.3	57%	0.57	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.4	174	179.3	0	0	0	0	111.6	F638 E639 L640 N644	F638-V642 HydrophobicContact CE1-CG2 4.41Å; F638-V642 HydrophobicContact CZ-CG2 4.38Å; F638-V642 PolarHBondContact O-N 3.49Å; E639-V642 PolarHBondContact O-N 3.28Å; L640-V642 VanDerWaalsContact C-N 3.28Å; L640-V642 PolarHBondContact O-N 3.15Å; V642-N644 PolarHBondContact O-N 2.92Å
643	V	92.6	Very high	94.8	Very high	38 Å²	38	35.8 Å²	35.8	23%	0.23	18%	0.184	C	C	.	.			trans	67.2	-9.3	173.7	-173	0	0	0	0	114.5	T275 L640 T641 Y669	T275-V643 HydrophobicContact CG2-CG1 4.33Å; L640-V643 PolarHBondContact O-N 3.29Å; L640-V643 VanDerWaalsContact O-N 3.12Å; T641-V643 PolarHBondContact O-N 3.44Å; V643-Y669 HydrophobicContact CG1-CE2 3.85Å; V643-Y669 HydrophobicContact CG2-CD2 4.28Å; V643-Y669 HydrophobicContact CG2-CE2 3.86Å
644	N	92	Very high	94.6	Very high	105 Å²	105	36.5 Å²	36.5	56%	0.561	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	138.2	177.7	-168.3	26.1	0	0	0	112	V642 W646	V642-N644 PolarHBondContact O-N 2.92Å; N644-W646 PolarHBondContact O-N 3.46Å
645	N	93.4	Very high	94.4	Very high	53 Å²	53	35.5 Å²	35.5	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	18.6	176.5	-68.3	-14.9	0	0	0	116.1	Y622 Y647 I648	Y622-N645 VanDerWaalsContact OH-CB 3.26Å; Y622-N645 WeakPolarHBondContact OH-CB 3.27Å; Y622-N645 PolarHBondContact OH-ND2 3.02Å; N645-Y647 PolarHBondContact O-N 3.1Å; N645-I648 HydrophobicContact CB-CD1 3.98Å; N645-I648 HydrophobicContact CB-CG1 4.44Å; N645-I648 WeakPolarHBondContact O-CB 3.45Å; N645-I648 PolarHBondContact O-N 3.23Å; N645-I648 VanDerWaalsContact O-N 3.09Å
646	W	95.1	Very high	94.3	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-29.6	-173.7	74.5	-82.2	0	0	0	113.2	F271 V272 T275 L640 N644 I648 T649 M650 F665 M666	F271-W646 AromaticContact CD1-CH2 3.75Å; F271-W646 HydrophobicContact CD1-CH2 3.75Å; F271-W646 AromaticContact CD1-CZ2 3.82Å; F271-W646 HydrophobicContact CD1-CZ2 3.82Å; F271-W646 AromaticContact CE1-CH2 3.63Å; F271-W646 HydrophobicContact CE1-CH2 3.63Å; F271-W646 AromaticContact CE1-CZ2 3.83Å; F271-W646 HydrophobicContact CE1-CZ2 3.83Å; V272-W646 HydrophobicContact CB-CZ2 4.48Å; V272-W646 HydrophobicContact CG2-CH2 4.27Å; V272-W646 HydrophobicContact CG2-CZ2 3.82Å; T275-W646 HydrophobicContact CG2-CZ2 4.24Å; T275-W646 PolarHBondContact OG1-NE1 3.09Å; L640-W646 HydrophobicContact CD2-CB 3.66Å; N644-W646 PolarHBondContact O-N 3.46Å; W646-I648 PolarHBondContact O-N 2.79Å; W646-T649 PolarHBondContact O-N 3.09Å; W646-M650 HydrophobicContact CE3-CB 4.41Å; W646-M650 HydrophobicContact CE3-SD 4.47Å; W646-M650 HydrophobicContact CH2-CE 4.44Å; W646-M650 HydrophobicContact CH2-SD 3.95Å; W646-M650 HydrophobicContact CZ3-CB 4.34Å; W646-M650 HydrophobicContact CZ3-CE 4.36Å; W646-M650 HydrophobicContact CZ3-CG 4.49Å; W646-M650 HydrophobicContact CZ3-SD 3.55Å; W646-M650 VanDerWaalsContact CZ3-SD 3.55Å; W646-M650 PolarHBondContact O-N 3.48Å; W646-M650 VanDerWaalsContact O-N 3.14Å; W646-F665 HydrophobicContact CE3-CB 4.34Å; W646-F665 HydrophobicContact CZ3-CB 3.9Å; W646-M666 HydrophobicContact CH2-CG 4.37Å
647	Y	94.4	Very high	94.1	Very high	46 Å²	46	37.7 Å²	37.7	18%	0.18	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-23.9	177.8	77	-89.6	0	0	0	112.6	V272 A277 N278 N645 M650 E651	V272-Y647 HydrophobicContact CG1-CD1 3.79Å; V272-Y647 HydrophobicContact CG1-CG 3.92Å; A277-Y647 HydrophobicContact CB-CD1 4.25Å; N278-Y647 HydrophobicContact CB-CD1 4.46Å; N278-Y647 HydrophobicContact CB-CE1 4.14Å; N645-Y647 PolarHBondContact O-N 3.1Å; Y647-M650 PolarHBondContact O-N 3.4Å; Y647-E651 WeakPolarHBondContact O-CB 3.31Å; Y647-E651 WeakPolarHBondContact O-CG 3.46Å; Y647-E651 PolarHBondContact O-N 3.46Å
648	I	94.9	Very high	93.9	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-47.6	177.1	-60.6	-178.4	0	0	0	109.6	V600 Y604 Y622 N645 W646 G652	V600-I648 HydrophobicContact CB-CG2 4.28Å; V600-I648 HydrophobicContact CG1-CG2 4.27Å; Y604-I648 HydrophobicContact CE2-CG2 4.21Å; Y604-I648 PolarHBondContact OH-O 2.66Å; Y622-I648 HydrophobicContact CD1-CB 4.33Å; Y622-I648 HydrophobicContact CD1-CG2 3.74Å; Y622-I648 HydrophobicContact CD2-CG2 4.32Å; Y622-I648 HydrophobicContact CE1-CB 4.04Å; Y622-I648 HydrophobicContact CE1-CD1 4.42Å; Y622-I648 HydrophobicContact CE1-CG2 3.88Å; Y622-I648 HydrophobicContact CE2-CD1 4.27Å; Y622-I648 HydrophobicContact CE2-CG2 4.44Å; Y622-I648 HydrophobicContact CG-CG2 3.98Å; N645-I648 HydrophobicContact CB-CD1 3.98Å; N645-I648 HydrophobicContact CB-CG1 4.44Å; N645-I648 WeakPolarHBondContact O-CB 3.45Å; N645-I648 PolarHBondContact O-N 3.23Å; N645-I648 VanDerWaalsContact O-N 3.09Å; W646-I648 PolarHBondContact O-N 2.79Å; I648-G652 PolarHBondContact O-N 3.16Å
649	T	94.7	Very high	93.5	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-41.7	176.2	-51.3	0	0	0	0	111.3	T636 W646 G652 V653 F665	T636-T649 HydrophobicContact CG2-CG2 4.19Å; W646-T649 PolarHBondContact O-N 3.09Å; T649-G652 PolarHBondContact O-N 3.11Å; T649-V653 WeakPolarHBondContact O-CG2 3.41Å; T649-V653 PolarHBondContact O-N 3.48Å; T649-V653 VanDerWaalsContact O-N 3.07Å; T649-F665 HydrophobicContact CG2-CE1 4.28Å
650	M	95.8	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-54.9	175.9	178.9	-175.8	72.3	0	0	111.5	V268 V272 W646 Y647 G652 V653 T654 R662 F665	V268-M650 HydrophobicContact CG1-CE 3.65Å; V272-M650 HydrophobicContact CG2-CE 4.25Å; W646-M650 HydrophobicContact CE3-CB 4.41Å; W646-M650 HydrophobicContact CE3-SD 4.47Å; W646-M650 HydrophobicContact CH2-CE 4.44Å; W646-M650 HydrophobicContact CH2-SD 3.95Å; W646-M650 HydrophobicContact CZ3-CB 4.34Å; W646-M650 HydrophobicContact CZ3-CE 4.36Å; W646-M650 HydrophobicContact CZ3-CG 4.49Å; W646-M650 HydrophobicContact CZ3-SD 3.55Å; W646-M650 VanDerWaalsContact CZ3-SD 3.55Å; W646-M650 PolarHBondContact O-N 3.48Å; W646-M650 VanDerWaalsContact O-N 3.14Å; Y647-M650 PolarHBondContact O-N 3.4Å; M650-G652 VanDerWaalsContact C-N 3.29Å; M650-G652 PolarHBondContact O-N 2.98Å; M650-V653 PolarHBondContact O-N 2.76Å; M650-T654 HydrophobicContact CG-CG2 4.36Å; M650-T654 WeakPolarHBondContact O-CG2 3.42Å; M650-T654 PolarHBondContact O-N 3.34Å; M650-T654 PolarHBondContact O-OG1 3.5Å; M650-R662 HydrophobicContact CG-CG 4.29Å; M650-R662 HydrophobicContact SD-CB 4.23Å; M650-R662 HydrophobicContact SD-CG 4.19Å; M650-F665 HydrophobicContact CB-CB 4.19Å; M650-F665 HydrophobicContact CB-CD1 4.49Å; M650-F665 HydrophobicContact CB-CD2 3.92Å; M650-F665 HydrophobicContact CB-CE2 4.46Å; M650-F665 HydrophobicContact CB-CG 3.95Å; M650-F665 HydrophobicContact CG-CB 3.99Å; M650-F665 HydrophobicContact CG-CD2 3.7Å; M650-F665 HydrophobicContact CG-CE2 4.48Å; M650-F665 HydrophobicContact CG-CG 4Å; M650-F665 HydrophobicContact SD-CB 4.19Å
651	E	93.2	Very high	93.3	Very high	30 Å²	30	46 Å²	46	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-29.2	-178.2	-72.1	-61.8	139.6	0	0	112.6	V600 Y647 T654 S655 R662	V600-E651 HydrophobicContact CG1-CB 4.05Å; V600-E651 HydrophobicContact CG2-CB 4.17Å; Y647-E651 WeakPolarHBondContact O-CB 3.31Å; Y647-E651 WeakPolarHBondContact O-CG 3.46Å; Y647-E651 PolarHBondContact O-N 3.46Å; E651-T654 VanDerWaalsContact CA-OG1 3.24Å; E651-T654 WeakPolarHBondContact CA-OG1 3.42Å; E651-T654 PolarHBondContact O-OG1 3.25Å; E651-T654 PolarHBondContact OE2-OG1 3.1Å; E651-S655 WeakPolarHBondContact O-CB 3.44Å; E651-S655 PolarHBondContact O-N 3.47Å; E651-R662 VanDerWaalsContact CD-NH2 3.31Å; E651-R662 IonicContact OE1-CZ 3.79Å; E651-R662 VanDerWaalsContact OE1-CZ 3.3Å; E651-R662 IonicContact OE1-NE 2.67Å; E651-R662 PolarHBondContact OE1-NE 3.25Å; E651-R662 IonicContact OE1-NH2 3.85Å; E651-R662 PolarHBondContact OE1-NH2 3Å; E651-R662 IonicContact OE2-CZ 2.87Å; E651-R662 IonicContact OE2-NH2 3Å; E651-R662 PolarHBondContact OE2-NH2 3.05Å
652	G	93.1	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-53.3	171	0	0	0	0	0	111.5	C595 I648 T649 M650 T654 S655	C595-G652 PolarHBondContact SG-O 2.92Å; C595-G652 VanDerWaalsContact SG-O 3.32Å; I648-G652 PolarHBondContact O-N 3.16Å; T649-G652 PolarHBondContact O-N 3.11Å; M650-G652 VanDerWaalsContact C-N 3.29Å; M650-G652 PolarHBondContact O-N 2.98Å; G652-T654 PolarHBondContact O-N 3.02Å; G652-S655 PolarHBondContact O-N 3.45Å; G652-S655 PolarHBondContact O-OG 2.86Å
653	V	94.4	Very high	93.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-39.8	179.5	172.9	0	0	0	0	111.9	F586 V590 T649 M650 S655 M656 T657 F665	F586-V653 HydrophobicContact CD1-CG1 3.53Å; F586-V653 HydrophobicContact CD2-CG1 4.46Å; F586-V653 HydrophobicContact CE1-CG1 3.7Å; F586-V653 HydrophobicContact CG-CG1 3.96Å; F586-V653 HydrophobicContact CZ-CG1 4.25Å; V590-V653 HydrophobicContact CG2-CG2 4.01Å; T649-V653 WeakPolarHBondContact O-CG2 3.41Å; T649-V653 PolarHBondContact O-N 3.48Å; T649-V653 VanDerWaalsContact O-N 3.07Å; M650-V653 PolarHBondContact O-N 2.76Å; V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 3Å; V653-M656 PolarHBondContact O-N 3.04Å; V653-T657 HydrophobicContact CG1-CG2 4.41Å; V653-T657 WeakPolarHBondContact O-CB 3.4Å; V653-T657 PolarHBondContact O-N 2.88Å; V653-T657 PolarHBondContact O-OG1 2.99Å; V653-F665 HydrophobicContact CB-CE2 3.93Å; V653-F665 HydrophobicContact CB-CZ 4.05Å; V653-F665 HydrophobicContact CG1-CE2 4.05Å; V653-F665 HydrophobicContact CG1-CZ 4.33Å; V653-F665 HydrophobicContact CG2-CE2 4.33Å; V653-F665 HydrophobicContact CG2-CZ 3.93Å
654	T	93.4	Very high	93.5	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-32.6	179.4	59.8	0	0	0	0	112.2	M650 E651 G652 M656 T657 S661 R662	M650-T654 HydrophobicContact CG-CG2 4.36Å; M650-T654 WeakPolarHBondContact O-CG2 3.42Å; M650-T654 PolarHBondContact O-N 3.34Å; M650-T654 PolarHBondContact O-OG1 3.5Å; E651-T654 VanDerWaalsContact CA-OG1 3.24Å; E651-T654 WeakPolarHBondContact CA-OG1 3.42Å; E651-T654 PolarHBondContact O-OG1 3.25Å; E651-T654 PolarHBondContact OE2-OG1 3.1Å; G652-T654 PolarHBondContact O-N 3.02Å; T654-M656 PolarHBondContact O-N 3.2Å; T654-T657 PolarHBondContact O-N 3.28Å; T654-S661 WeakPolarHBondContact CA-OG 3.29Å; T654-S661 WeakPolarHBondContact CG2-OG 3.33Å; T654-R662 HydrophobicContact CG2-CB 4.45Å; T654-R662 HydrophobicContact CG2-CG 3.38Å
655	S	92.1	Very high	93.7	Very high	35 Å²	35	40.9 Å²	40.9	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-26.5	178.1	77.6	0	0	0	0	113.3	C595 E651 G652 V653	C595-S655 PolarHBondContact SG-OG 2.63Å; E651-S655 WeakPolarHBondContact O-CB 3.44Å; E651-S655 PolarHBondContact O-N 3.47Å; G652-S655 PolarHBondContact O-N 3.45Å; G652-S655 PolarHBondContact O-OG 2.86Å; V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 3Å
656	M	92.4	Very high	93.8	Very high	67 Å²	67	40 Å²	40	33%	0.33	20%	0.195	S	C	.	.	H	α-helix	trans	-95.6	-18.9	178.1	-67	-65	131.8	0	0	113.4	V589 F591 C594 C595 V653 T654	V589-M656 HydrophobicContact CG1-CB 3.41Å; V589-M656 VanDerWaalsContact CG1-CB 3.41Å; V589-M656 HydrophobicContact CG1-CG 4.12Å; F591-M656 HydrophobicContact CE1-SD 4.39Å; C594-M656 HydrophobicContact CB-CE 3.84Å; C594-M656 HydrophobicContact CB-SD 4.27Å; C595-M656 VanDerWaalsContact CA-CE 3.46Å; C595-M656 HydrophobicContact CB-CE 4.28Å; V653-M656 PolarHBondContact O-N 3.04Å; T654-M656 PolarHBondContact O-N 3.2Å
657	T	92.2	Very high	93.7	Very high	61 Å²	61	42.5 Å²	42.5	37%	0.374	21%	0.211	S	C	.	.	S	Bend	trans	-119.9	-109.2	-172.1	61.9	0	0	0	0	111.8	F586 V589 V653 T654 S661	F586-T657 HydrophobicContact CD1-CG2 4.31Å; V589-T657 HydrophobicContact CG1-CG2 3.67Å; V589-T657 HydrophobicContact CG2-CG2 4.11Å; V653-T657 HydrophobicContact CG1-CG2 4.41Å; V653-T657 WeakPolarHBondContact O-CB 3.4Å; V653-T657 PolarHBondContact O-N 2.88Å; V653-T657 PolarHBondContact O-OG1 2.99Å; T654-T657 PolarHBondContact O-N 3.28Å; T657-S661 PolarHBondContact OG1-OG 2.84Å
658	S	92.4	Very high	93.8	Very high	55 Å²	55	40.6 Å²	40.6	39%	0.385	20%	0.204	S	C	.	.			trans	-145.4	158	-178.2	-174.6	0	0	0	0	110.4	W660 S661	S658-W660 PolarHBondContact O-N 2.97Å; S658-W660 VanDerWaalsContact O-N 3.13Å; S658-S661 WeakPolarHBondContact O-CB 3.26Å; S658-S661 PolarHBondContact O-N 2.8Å; S658-S661 PolarHBondContact O-OG 3.23Å
659	H	89.4	Confident	93.8	Very high	109 Å²	109	40.9 Å²	40.9	51%	0.505	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.6	174.9	-62.9	-80.1	0	0	0	113.1	E264 S661 R662	E264-H659 IonicContact OE1-CG 3.6Å; E264-H659 IonicContact OE1-ND1 3.23Å; E264-H659 PolarHBondContact OE1-ND1 3.2Å; H659-S661 PolarHBondContact O-N 3.37Å; H659-S661 VanDerWaalsContact O-N 3.17Å; H659-R662 PolarHBondContact ND1-NH1 3.24Å; H659-R662 VanDerWaalsContact O-CB 3.25Å; H659-R662 WeakPolarHBondContact O-CB 3.33Å; H659-R662 WeakPolarHBondContact O-CG 3.33Å; H659-R662 PolarHBondContact O-N 3.08Å
660	W	91.6	Very high	93.6	Very high	206 Å²	206	42.3 Å²	42.3	78%	0.78	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.4	175.3	-63.5	108	0	0	0	113.9	S658 R662 L663	S658-W660 PolarHBondContact O-N 2.97Å; S658-W660 VanDerWaalsContact O-N 3.13Å; W660-R662 PolarHBondContact O-N 3.28Å; W660-L663 VanDerWaalsContact O-CB 3.31Å; W660-L663 WeakPolarHBondContact O-CB 3.2Å; W660-L663 PolarHBondContact O-N 2.83Å
661	S	94.4	Very high	93.4	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-23.5	173.8	62.9	0	0	0	0	112.6	T654 T657 S658 H659 L663 Y664 F665	T654-S661 WeakPolarHBondContact CA-OG 3.29Å; T654-S661 WeakPolarHBondContact CG2-OG 3.33Å; T657-S661 PolarHBondContact OG1-OG 2.84Å; S658-S661 WeakPolarHBondContact O-CB 3.26Å; S658-S661 PolarHBondContact O-N 2.8Å; S658-S661 PolarHBondContact O-OG 3.23Å; H659-S661 PolarHBondContact O-N 3.37Å; H659-S661 VanDerWaalsContact O-N 3.17Å; S661-L663 PolarHBondContact O-N 2.71Å; S661-Y664 WeakPolarHBondContact O-CB 3.32Å; S661-Y664 PolarHBondContact O-N 2.81Å; S661-Y664 VanDerWaalsContact O-N 3.08Å; S661-F665 VanDerWaalsContact O-CD2 3.24Å; S661-F665 WeakPolarHBondContact O-CD2 3.38Å; S661-F665 PolarHBondContact O-N 2.78Å
662	R	94.6	Very high	93.3	Very high	19 Å²	19	43.2 Å²	43.2	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-39	170.9	-64.9	-179.1	169.7	155.1	-4.9	111.4	E264 M650 E651 T654 H659 W660 Y664 F665 M666	E264-R662 IonicContact OE1-CZ 2.73Å; E264-R662 IonicContact OE1-NH1 2.66Å; E264-R662 PolarHBondContact OE1-NH1 2.96Å; M650-R662 HydrophobicContact CG-CG 4.29Å; M650-R662 HydrophobicContact SD-CB 4.23Å; M650-R662 HydrophobicContact SD-CG 4.19Å; E651-R662 VanDerWaalsContact CD-NH2 3.31Å; E651-R662 IonicContact OE1-CZ 3.79Å; E651-R662 VanDerWaalsContact OE1-CZ 3.3Å; E651-R662 IonicContact OE1-NE 2.67Å; E651-R662 PolarHBondContact OE1-NE 3.25Å; E651-R662 IonicContact OE1-NH2 3.85Å; E651-R662 PolarHBondContact OE1-NH2 3Å; E651-R662 IonicContact OE2-CZ 2.87Å; E651-R662 IonicContact OE2-NH2 3Å; E651-R662 PolarHBondContact OE2-NH2 3.05Å; T654-R662 HydrophobicContact CG2-CB 4.45Å; T654-R662 HydrophobicContact CG2-CG 3.38Å; H659-R662 PolarHBondContact ND1-NH1 3.24Å; H659-R662 VanDerWaalsContact O-CB 3.25Å; H659-R662 WeakPolarHBondContact O-CB 3.33Å; H659-R662 WeakPolarHBondContact O-CG 3.33Å; H659-R662 PolarHBondContact O-N 3.08Å; W660-R662 PolarHBondContact O-N 3.28Å; R662-Y664 VanDerWaalsContact C-N 3.27Å; R662-Y664 PolarHBondContact O-N 3.29Å; R662-F665 PolarHBondContact O-N 2.82Å; R662-M666 WeakPolarHBondContact O-CB 3.34Å; R662-M666 WeakPolarHBondContact O-CG 3.29Å; R662-M666 PolarHBondContact O-N 3.4Å
663	L	94.1	Very high	93.1	Very high	103 Å²	103	44.8 Å²	44.8	54%	0.539	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-35.6	179	-173.7	64.5	0	0	0	111.9	W660 S661 T667	W660-L663 VanDerWaalsContact O-CB 3.31Å; W660-L663 WeakPolarHBondContact O-CB 3.2Å; W660-L663 PolarHBondContact O-N 2.83Å; S661-L663 PolarHBondContact O-N 2.71Å; L663-T667 WeakPolarHBondContact O-CB 3.46Å; L663-T667 PolarHBondContact O-N 3.23Å; L663-T667 PolarHBondContact O-OG1 2.85Å
664	Y	96.1	Very high	92.7	Very high	24 Å²	24	45.3 Å²	45.3	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-50.9	175.2	169.9	-90.7	0	0	0	111.2	F578 V581 F586 F627 S661 R662 T667 F668	F578-Y664 HydrophobicContact CD1-CD2 4.32Å; F578-Y664 AromaticContact CD1-CE2 3.72Å; F578-Y664 HydrophobicContact CD1-CE2 3.72Å; F578-Y664 HydrophobicContact CE1-CE2 4.47Å; F578-Y664 PolarHBondContact O-OH 3.45Å; V581-Y664 HydrophobicContact CB-CE2 4.25Å; V581-Y664 HydrophobicContact CG1-CD2 4.04Å; V581-Y664 HydrophobicContact CG1-CE2 3.83Å; F586-Y664 AromaticContact CE2-CD1 3.7Å; F586-Y664 HydrophobicContact CE2-CD1 3.7Å; F586-Y664 HydrophobicContact CE2-CD2 4.28Å; F586-Y664 AromaticContact CE2-CE1 3.95Å; F586-Y664 HydrophobicContact CE2-CE1 3.95Å; F586-Y664 HydrophobicContact CE2-CE2 4.48Å; F586-Y664 AromaticContact CE2-CG 3.88Å; F586-Y664 HydrophobicContact CE2-CG 3.88Å; F586-Y664 HydrophobicContact CZ-CD1 4.39Å; F586-Y664 HydrophobicContact CZ-CG 4.32Å; F627-Y664 HydrophobicContact CZ-CE1 4.3Å; S661-Y664 WeakPolarHBondContact O-CB 3.32Å; S661-Y664 PolarHBondContact O-N 2.81Å; S661-Y664 VanDerWaalsContact O-N 3.08Å; R662-Y664 VanDerWaalsContact C-N 3.27Å; R662-Y664 PolarHBondContact O-N 3.29Å; Y664-T667 PolarHBondContact O-N 3.01Å; Y664-F668 WeakPolarHBondContact O-CB 3.4Å; Y664-F668 PolarHBondContact O-N 3.13Å
665	F	96.4	Very high	92.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-40.6	-178.8	-66.1	-79.3	0	0	0	112.5	F627 L640 W646 T649 M650 V653 S661 R662 F668 Y669	F627-F665 HydrophobicContact CE2-CE1 4.38Å; F627-F665 HydrophobicContact CE2-CZ 4.33Å; F627-F665 HydrophobicContact CZ-CE1 4.39Å; L640-F665 HydrophobicContact CD1-CD1 3.81Å; L640-F665 HydrophobicContact CD1-CE1 3.85Å; L640-F665 HydrophobicContact CD2-CD1 4.37Å; W646-F665 HydrophobicContact CE3-CB 4.34Å; W646-F665 HydrophobicContact CZ3-CB 3.9Å; T649-F665 HydrophobicContact CG2-CE1 4.28Å; M650-F665 HydrophobicContact CB-CB 4.19Å; M650-F665 HydrophobicContact CB-CD1 4.49Å; M650-F665 HydrophobicContact CB-CD2 3.92Å; M650-F665 HydrophobicContact CB-CE2 4.46Å; M650-F665 HydrophobicContact CB-CG 3.95Å; M650-F665 HydrophobicContact CG-CB 3.99Å; M650-F665 HydrophobicContact CG-CD2 3.7Å; M650-F665 HydrophobicContact CG-CE2 4.48Å; M650-F665 HydrophobicContact CG-CG 4Å; M650-F665 HydrophobicContact SD-CB 4.19Å; V653-F665 HydrophobicContact CB-CE2 3.93Å; V653-F665 HydrophobicContact CB-CZ 4.05Å; V653-F665 HydrophobicContact CG1-CE2 4.05Å; V653-F665 HydrophobicContact CG1-CZ 4.33Å; V653-F665 HydrophobicContact CG2-CE2 4.33Å; V653-F665 HydrophobicContact CG2-CZ 3.93Å; S661-F665 VanDerWaalsContact O-CD2 3.24Å; S661-F665 WeakPolarHBondContact O-CD2 3.38Å; S661-F665 PolarHBondContact O-N 2.78Å; R662-F665 PolarHBondContact O-N 2.82Å; F665-F668 PolarHBondContact O-N 3.41Å; F665-Y669 PolarHBondContact O-N 2.98Å
666	M	94.7	Very high	92.3	Very high	33 Å²	33	46.1 Å²	46.1	16%	0.163	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-42	175.9	-69.1	-177.9	172.3	0	0	111.9	V268 F271 W646 R662 Y669 I670	V268-M666 HydrophobicContact CB-CE 4.3Å; V268-M666 HydrophobicContact CG1-CE 4.17Å; V268-M666 HydrophobicContact CG2-CE 3.93Å; F271-M666 HydrophobicContact CB-CE 4.07Å; F271-M666 HydrophobicContact CD1-CE 3.88Å; F271-M666 HydrophobicContact CD1-CG 3.9Å; F271-M666 HydrophobicContact CD1-SD 4.28Å; F271-M666 HydrophobicContact CE1-CB 4.02Å; F271-M666 HydrophobicContact CE1-CG 3.62Å; F271-M666 HydrophobicContact CE1-SD 4.44Å; F271-M666 HydrophobicContact CG-CE 3.96Å; F271-M666 HydrophobicContact CG-CG 4.5Å; F271-M666 HydrophobicContact CG-SD 4.33Å; F271-M666 HydrophobicContact CZ-CB 3.92Å; F271-M666 HydrophobicContact CZ-CG 3.96Å; W646-M666 HydrophobicContact CH2-CG 4.37Å; R662-M666 WeakPolarHBondContact O-CB 3.34Å; R662-M666 WeakPolarHBondContact O-CG 3.29Å; R662-M666 PolarHBondContact O-N 3.4Å; M666-Y669 PolarHBondContact O-N 3.05Å; M666-I670 WeakPolarHBondContact O-CG1 3.31Å; M666-I670 PolarHBondContact O-N 3.27Å
667	T	94.4	Very high	91.9	Very high	60 Å²	60	44.4 Å²	44.4	37%	0.368	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-42.7	175.7	-56.9	0	0	0	0	110.8	F578 L663 Y664 Y669 I670 V671	F578-T667 HydrophobicContact CZ-CG2 4.34Å; L663-T667 WeakPolarHBondContact O-CB 3.46Å; L663-T667 PolarHBondContact O-N 3.23Å; L663-T667 PolarHBondContact O-OG1 2.85Å; Y664-T667 PolarHBondContact O-N 3.01Å; T667-Y669 VanDerWaalsContact C-N 3.33Å; T667-Y669 PolarHBondContact O-N 3.17Å; T667-I670 PolarHBondContact O-N 3.28Å; T667-V671 HydrophobicContact CG2-CG2 4.39Å; T667-V671 WeakPolarHBondContact O-CB 3.17Å; T667-V671 VanDerWaalsContact O-CG2 3.31Å; T667-V671 WeakPolarHBondContact O-CG2 3.43Å; T667-V671 PolarHBondContact O-N 3.01Å
668	F	96	Very high	91.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-44.5	175	176.7	-100.8	0	0	0	111.5	Y575 F578 L637 L640 Y664 F665 V671 T672	Y575-F668 HydrophobicContact CD1-CE2 4.19Å; Y575-F668 HydrophobicContact CD1-CZ 4.38Å; Y575-F668 HydrophobicContact CE1-CE2 4.18Å; Y575-F668 AromaticContact CE1-CZ 3.96Å; Y575-F668 HydrophobicContact CE1-CZ 3.96Å; F578-F668 HydrophobicContact CB-CD2 4.09Å; F578-F668 HydrophobicContact CB-CE2 4.4Å; F578-F668 HydrophobicContact CD1-CB 3.93Å; F578-F668 AromaticContact CD1-CD2 3.7Å; F578-F668 HydrophobicContact CD1-CD2 3.7Å; F578-F668 HydrophobicContact CD1-CG 4.27Å; F578-F668 HydrophobicContact CD2-CD2 4.01Å; F578-F668 HydrophobicContact CE1-CB 3.73Å; F578-F668 HydrophobicContact CE1-CD2 4.08Å; F578-F668 HydrophobicContact CE1-CG 4.42Å; F578-F668 HydrophobicContact CE2-CD2 4.36Å; F578-F668 AromaticContact CG-CD2 3.67Å; F578-F668 HydrophobicContact CG-CD2 3.67Å; F578-F668 HydrophobicContact CG-CE2 4.35Å; F578-F668 HydrophobicContact CZ-CB 4.37Å; F578-F668 HydrophobicContact CZ-CD2 4.39Å; L637-F668 HydrophobicContact CB-CE2 4.33Å; L637-F668 HydrophobicContact CB-CZ 3.97Å; L637-F668 HydrophobicContact CD1-CE2 4.45Å; L637-F668 HydrophobicContact CD2-CD2 4.07Å; L637-F668 HydrophobicContact CD2-CE1 4.28Å; L637-F668 HydrophobicContact CD2-CE2 3.78Å; L637-F668 HydrophobicContact CD2-CG 4.43Å; L637-F668 HydrophobicContact CD2-CZ 3.88Å; L637-F668 HydrophobicContact CG-CE2 4.4Å; L637-F668 HydrophobicContact CG-CZ 4.43Å; L637-F668 WeakPolarHBondContact O-CZ 3.28Å; L640-F668 HydrophobicContact CB-CD1 4Å; L640-F668 HydrophobicContact CB-CE1 3.5Å; L640-F668 HydrophobicContact CB-CZ 4.5Å; L640-F668 HydrophobicContact CD1-CD1 4.29Å; L640-F668 HydrophobicContact CD1-CE1 4.32Å; Y664-F668 WeakPolarHBondContact O-CB 3.4Å; Y664-F668 PolarHBondContact O-N 3.13Å; F665-F668 PolarHBondContact O-N 3.41Å; F668-V671 PolarHBondContact O-N 3.2Å; F668-T672 HydrophobicContact CD1-CG2 4.3Å; F668-T672 HydrophobicContact CE1-CG2 4Å; F668-T672 HydrophobicContact CZ-CG2 4.35Å; F668-T672 WeakPolarHBondContact O-CB 3.35Å; F668-T672 VanDerWaalsContact O-CG2 3.25Å; F668-T672 WeakPolarHBondContact O-CG2 3.47Å; F668-T672 PolarHBondContact O-N 2.88Å
669	Y	93.8	Very high	91.1	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-51.1	177	172.1	-98.7	0	0	0	112	F271 T275 M309 V643 F665 M666 T667 V671 T672 M673	F271-Y669 HydrophobicContact CE1-CD1 4.01Å; F271-Y669 AromaticContact CZ-CD1 3.76Å; F271-Y669 HydrophobicContact CZ-CD1 3.76Å; F271-Y669 HydrophobicContact CZ-CE1 4.39Å; T275-Y669 HydrophobicContact CG2-CD1 4.36Å; T275-Y669 HydrophobicContact CG2-CD2 4.15Å; T275-Y669 HydrophobicContact CG2-CE1 3.76Å; T275-Y669 HydrophobicContact CG2-CE2 3.53Å; T275-Y669 WeakPolarHBondContact CG2-OH 3.24Å; M309-Y669 WeakPolarHBondContact CE-OH 3.42Å; V643-Y669 HydrophobicContact CG1-CE2 3.85Å; V643-Y669 HydrophobicContact CG2-CD2 4.28Å; V643-Y669 HydrophobicContact CG2-CE2 3.86Å; F665-Y669 PolarHBondContact O-N 2.98Å; M666-Y669 PolarHBondContact O-N 3.05Å; T667-Y669 VanDerWaalsContact C-N 3.33Å; T667-Y669 PolarHBondContact O-N 3.17Å; Y669-V671 PolarHBondContact O-N 3.36Å; Y669-T672 WeakPolarHBondContact O-CG2 3.26Å; Y669-T672 PolarHBondContact O-N 3.35Å; Y669-M673 HydrophobicContact CE1-SD 4.27Å; Y669-M673 WeakPolarHBondContact O-CB 3.36Å; Y669-M673 PolarHBondContact O-N 3.34Å
670	I	90.9	Very high	90.9	Very high	35 Å²	35	38.5 Å²	38.5	18%	0.179	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-48.5	-180	-67.7	171.1	0	0	0	110.2	F229 L233 F271 M666 T667 M673 V674	F229-I670 HydrophobicContact CE1-CG2 3.7Å; F229-I670 HydrophobicContact CZ-CG2 3.75Å; L233-I670 HydrophobicContact CD1-CD1 4.25Å; L233-I670 HydrophobicContact CD2-CD1 4.39Å; L233-I670 HydrophobicContact CD2-CG2 4.14Å; F271-I670 HydrophobicContact CE2-CD1 4.49Å; F271-I670 HydrophobicContact CZ-CG1 4.38Å; M666-I670 WeakPolarHBondContact O-CG1 3.31Å; M666-I670 PolarHBondContact O-N 3.27Å; T667-I670 PolarHBondContact O-N 3.28Å; I670-M673 PolarHBondContact O-N 2.94Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 3.33Å; I670-V674 VanDerWaalsContact O-N 3.11Å
671	V	91.4	Very high	90.4	Very high	42 Å²	42	29.7 Å²	29.7	26%	0.255	16%	0.162	S	C	.	.	H	α-helix	trans	-63.4	-49.3	179.9	173.7	0	0	0	0	111.5	F574 F578 T667 F668 Y669 M673 V674 V675	F574-V671 HydrophobicContact CD1-CG1 3.95Å; F574-V671 HydrophobicContact CE1-CG1 4.14Å; F578-V671 HydrophobicContact CE2-CB 4.44Å; F578-V671 HydrophobicContact CE2-CG1 4.21Å; F578-V671 HydrophobicContact CZ-CB 4.43Å; F578-V671 HydrophobicContact CZ-CG2 4.34Å; T667-V671 HydrophobicContact CG2-CG2 4.39Å; T667-V671 WeakPolarHBondContact O-CB 3.17Å; T667-V671 VanDerWaalsContact O-CG2 3.31Å; T667-V671 WeakPolarHBondContact O-CG2 3.43Å; T667-V671 PolarHBondContact O-N 3.01Å; F668-V671 PolarHBondContact O-N 3.2Å; Y669-V671 PolarHBondContact O-N 3.36Å; V671-M673 VanDerWaalsContact C-N 3.32Å; V671-M673 PolarHBondContact O-N 2.94Å; V671-V674 PolarHBondContact O-N 2.93Å; V671-V675 HydrophobicContact CG1-CG2 4.31Å; V671-V675 WeakPolarHBondContact O-CB 3.36Å; V671-V675 VanDerWaalsContact O-CG2 3.24Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 2.85Å
672	T	91.9	Very high	89.7	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.043	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-32.8	-178.2	-166.2	0	0	0	0	112.1	T641 F668 Y669 M676	T641-T672 WeakPolarHBondContact CG2-OG1 3.34Å; T641-T672 PolarHBondContact OG1-OG1 3.2Å; F668-T672 HydrophobicContact CD1-CG2 4.3Å; F668-T672 HydrophobicContact CE1-CG2 4Å; F668-T672 HydrophobicContact CZ-CG2 4.35Å; F668-T672 WeakPolarHBondContact O-CB 3.35Å; F668-T672 VanDerWaalsContact O-CG2 3.25Å; F668-T672 WeakPolarHBondContact O-CG2 3.47Å; F668-T672 PolarHBondContact O-N 2.88Å; Y669-T672 WeakPolarHBondContact O-CG2 3.26Å; Y669-T672 PolarHBondContact O-N 3.35Å; T672-M676 WeakPolarHBondContact O-CB 3.33Å; T672-M676 VanDerWaalsContact O-CG 3.31Å; T672-M676 WeakPolarHBondContact O-CG 3.48Å; T672-M676 PolarHBondContact O-N 3.49Å
673	M	87.5	Confident	89.1	Confident	33 Å²	33	30.5 Å²	30.5	16%	0.163	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-50.5	175	179.4	-161.2	147.3	0	0	110.3	M309 L312 Y669 I670 V671 V675 M676 T677	M309-M673 HydrophobicContact CE-CE 3.58Å; M309-M673 HydrophobicContact CE-SD 3.35Å; M309-M673 WeakPolarHBondContact CE-SD 3.29Å; M309-M673 HydrophobicContact SD-CE 3.97Å; M309-M673 HydrophobicContact SD-SD 4.29Å; L312-M673 HydrophobicContact CD2-CE 3.97Å; Y669-M673 HydrophobicContact CE1-SD 4.27Å; Y669-M673 WeakPolarHBondContact O-CB 3.36Å; Y669-M673 PolarHBondContact O-N 3.34Å; I670-M673 PolarHBondContact O-N 2.94Å; V671-M673 VanDerWaalsContact C-N 3.32Å; V671-M673 PolarHBondContact O-N 2.94Å; M673-V675 PolarHBondContact O-N 3.47Å; M673-M676 PolarHBondContact O-N 3.02Å; M673-T677 HydrophobicContact CG-CG2 4.33Å; M673-T677 WeakPolarHBondContact O-CB 3.35Å; M673-T677 WeakPolarHBondContact O-CG2 3.48Å; M673-T677 PolarHBondContact O-N 2.88Å; M673-T677 PolarHBondContact O-OG1 3.41Å
674	V	86.2	Confident	88.5	Confident	13 Å²	13	30.3 Å²	30.3	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-47.5	177.3	174.3	0	0	0	0	111.3	F229 I670 V671 M676 T677 I678	F229-V674 HydrophobicContact CD1-CG2 4.06Å; F229-V674 HydrophobicContact CD2-CG2 3.59Å; F229-V674 HydrophobicContact CE1-CG2 3.63Å; F229-V674 HydrophobicContact CE2-CG2 3.1Å; F229-V674 HydrophobicContact CG-CG2 4.04Å; F229-V674 HydrophobicContact CZ-CG2 3.15Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 3.33Å; I670-V674 VanDerWaalsContact O-N 3.11Å; V671-V674 PolarHBondContact O-N 2.93Å; V674-M676 PolarHBondContact O-N 2.81Å; V674-T677 WeakPolarHBondContact CA-OG1 3.46Å; V674-T677 PolarHBondContact O-N 3.23Å; V674-T677 PolarHBondContact O-OG1 3.46Å; V674-I678 HydrophobicContact CG1-CD1 3.77Å; V674-I678 VanDerWaalsContact O-CG1 3.31Å; V674-I678 WeakPolarHBondContact O-CG1 3.41Å; V674-I678 PolarHBondContact O-N 2.83Å; V674-I678 VanDerWaalsContact O-N 3.11Å
675	V	89.1	Confident	87.7	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-46.1	-179	174.5	0	0	0	0	111	L222 L571 F574 V671 M673 I679	L222-V675 HydrophobicContact CD1-CG1 4.5Å; L222-V675 HydrophobicContact CD1-CG2 4.34Å; L571-V675 HydrophobicContact CD1-CG1 3.93Å; F574-V675 HydrophobicContact CD2-CG1 4.21Å; F574-V675 HydrophobicContact CD2-CG2 3.9Å; F574-V675 HydrophobicContact CE2-CG1 4.32Å; F574-V675 HydrophobicContact CE2-CG2 3.61Å; F574-V675 HydrophobicContact CZ-CG2 4.03Å; V671-V675 HydrophobicContact CG1-CG2 4.31Å; V671-V675 WeakPolarHBondContact O-CB 3.36Å; V671-V675 VanDerWaalsContact O-CG2 3.24Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 2.85Å; M673-V675 PolarHBondContact O-N 3.47Å; V675-I679 HydrophobicContact CG1-CD1 3.74Å; V675-I679 HydrophobicContact CG1-CG1 4.46Å; V675-I679 WeakPolarHBondContact O-CB 3.24Å; V675-I679 WeakPolarHBondContact O-CG1 3.18Å; V675-I679 PolarHBondContact O-N 3.42Å
676	M	88.5	Confident	86.8	Confident	60 Å²	60	32 Å²	32	30%	0.296	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-39.1	-179.1	-78.5	-57.1	-137.2	0	0	112.9	L571 T641 T672 M673 V674 I679 V680	L571-M676 HydrophobicContact CD1-SD 4.26Å; L571-M676 HydrophobicContact CD2-CE 3.53Å; L571-M676 HydrophobicContact CD2-SD 3.78Å; T641-M676 HydrophobicContact CG2-CE 3.55Å; T641-M676 HydrophobicContact CG2-CG 3.82Å; T672-M676 WeakPolarHBondContact O-CB 3.33Å; T672-M676 VanDerWaalsContact O-CG 3.31Å; T672-M676 WeakPolarHBondContact O-CG 3.48Å; T672-M676 PolarHBondContact O-N 3.49Å; M673-M676 PolarHBondContact O-N 3.02Å; V674-M676 PolarHBondContact O-N 2.81Å; M676-I679 PolarHBondContact O-N 3.5Å; M676-I679 HydrophobicContact SD-CD1 4.45Å; M676-V680 WeakPolarHBondContact O-CB 3.04Å; M676-V680 VanDerWaalsContact O-CG2 3.28Å; M676-V680 WeakPolarHBondContact O-CG2 3.46Å; M676-V680 PolarHBondContact O-N 2.92Å
677	T	83.8	Confident	86.2	Confident	32 Å²	32	32.7 Å²	32.7	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-43.5	178.9	50.8	0	0	0	0	111.6	L313 M673 V674 V680 A681	L313-T677 HydrophobicContact CD1-CG2 3.14Å; M673-T677 HydrophobicContact CG-CG2 4.33Å; M673-T677 WeakPolarHBondContact O-CB 3.35Å; M673-T677 WeakPolarHBondContact O-CG2 3.48Å; M673-T677 PolarHBondContact O-N 2.88Å; M673-T677 PolarHBondContact O-OG1 3.41Å; V674-T677 WeakPolarHBondContact CA-OG1 3.46Å; V674-T677 PolarHBondContact O-N 3.23Å; V674-T677 PolarHBondContact O-OG1 3.46Å; T677-V680 PolarHBondContact O-N 2.96Å; T677-A681 VanDerWaalsContact O-CB 3.26Å; T677-A681 WeakPolarHBondContact O-CB 3.24Å; T677-A681 PolarHBondContact O-N 3.39Å
678	I	83.9	Confident	85.4	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-43.6	174.2	-66.7	168.6	0	0	0	111.2	L222 V316 F320 V674 A681 F682	L222-I678 HydrophobicContact CD2-CB 3.81Å; L222-I678 HydrophobicContact CD2-CD1 3.32Å; L222-I678 HydrophobicContact CD2-CG1 4.14Å; L222-I678 HydrophobicContact CD2-CG2 3.59Å; V316-I678 HydrophobicContact CG1-CD1 3.5Å; V316-I678 VanDerWaalsContact CG1-CD1 3.5Å; V316-I678 HydrophobicContact CG1-CG1 3.4Å; F320-I678 HydrophobicContact CD1-CG2 4.3Å; F320-I678 HydrophobicContact CD2-CG2 3.54Å; F320-I678 HydrophobicContact CE1-CG2 4.31Å; F320-I678 HydrophobicContact CE2-CG2 3.51Å; F320-I678 HydrophobicContact CG-CG2 3.94Å; F320-I678 HydrophobicContact CZ-CG2 3.92Å; V674-I678 HydrophobicContact CG1-CD1 3.77Å; V674-I678 VanDerWaalsContact O-CG1 3.31Å; V674-I678 WeakPolarHBondContact O-CG1 3.41Å; V674-I678 PolarHBondContact O-N 2.83Å; V674-I678 VanDerWaalsContact O-N 3.11Å; I678-A681 PolarHBondContact O-N 3.4Å; I678-F682 VanDerWaalsContact O-CB 3.31Å; I678-F682 WeakPolarHBondContact O-CB 3.33Å; I678-F682 PolarHBondContact O-N 2.72Å
679	I	85.4	Confident	84.4	Confident	16 Å²	16	34.7 Å²	34.7	8%	0.082	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-49.2	177.4	-73.2	173	0	0	0	111.2	L567 L571 V675 M676 I683	L567-I679 HydrophobicContact CB-CD1 4.4Å; L567-I679 HydrophobicContact CB-CG1 4.11Å; L567-I679 HydrophobicContact CB-CG2 4.35Å; L567-I679 HydrophobicContact CD1-CB 4.4Å; L567-I679 HydrophobicContact CD1-CG1 4.27Å; L567-I679 HydrophobicContact CD1-CG2 4.15Å; L567-I679 HydrophobicContact CD2-CG1 4.2Å; L567-I679 HydrophobicContact CG-CG1 4.45Å; L571-I679 HydrophobicContact CB-CD1 4.1Å; V675-I679 HydrophobicContact CG1-CD1 3.74Å; V675-I679 HydrophobicContact CG1-CG1 4.46Å; V675-I679 WeakPolarHBondContact O-CB 3.24Å; V675-I679 WeakPolarHBondContact O-CG1 3.18Å; V675-I679 PolarHBondContact O-N 3.42Å; M676-I679 PolarHBondContact O-N 3.5Å; M676-I679 HydrophobicContact SD-CD1 4.45Å; I679-I683 HydrophobicContact CG2-CD1 3.79Å; I679-I683 VanDerWaalsContact O-CG1 3.26Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.39Å
680	V	84.9	Confident	83.5	Confident	79 Å²	79	35.2 Å²	35.2	48%	0.479	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-46.8	-179.3	169.2	0	0	0	0	110.5	M676 T677 F682 I683 L684	M676-V680 WeakPolarHBondContact O-CB 3.04Å; M676-V680 VanDerWaalsContact O-CG2 3.28Å; M676-V680 WeakPolarHBondContact O-CG2 3.46Å; M676-V680 PolarHBondContact O-N 2.92Å; T677-V680 PolarHBondContact O-N 2.96Å; V680-F682 PolarHBondContact O-N 2.88Å; V680-I683 PolarHBondContact O-N 2.83Å; V680-L684 HydrophobicContact CG1-CD1 3.78Å; V680-L684 HydrophobicContact CG1-CG 4.33Å; V680-L684 WeakPolarHBondContact O-CB 3.42Å; V680-L684 WeakPolarHBondContact O-CG 3.18Å; V680-L684 PolarHBondContact O-N 2.88Å
681	A	81.1	Confident	82.8	Confident	21 Å²	21	37.4 Å²	37.4	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-43	-177.5	0	0	0	0	0	111.9	F317 T677 I678 I683 L684 D685	F317-A681 HydrophobicContact CD2-CB 3.34Å; F317-A681 HydrophobicContact CE2-CB 3.65Å; F317-A681 HydrophobicContact CG-CB 4.31Å; T677-A681 VanDerWaalsContact O-CB 3.26Å; T677-A681 WeakPolarHBondContact O-CB 3.24Å; T677-A681 PolarHBondContact O-N 3.39Å; I678-A681 PolarHBondContact O-N 3.4Å; A681-I683 PolarHBondContact O-N 3.37Å; A681-L684 PolarHBondContact O-N 3Å; A681-D685 PolarHBondContact O-N 3.02Å
682	F	79.4	Confident	81.9	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-38.6	175.8	173.2	-92.9	0	0	0	113.6	F320 E324 R563 L567 I678 V680 A686	F320-F682 HydrophobicContact CE1-CB 4.47Å; F320-F682 AromaticContact CE1-CD2 3.81Å; F320-F682 HydrophobicContact CE1-CD2 3.81Å; F320-F682 HydrophobicContact CE1-CE2 4.41Å; F320-F682 HydrophobicContact CZ-CD2 4.16Å; F320-F682 HydrophobicContact CZ-CE2 4.45Å; E324-F682 WeakPolarHBondContact OE2-CD2 3.34Å; E324-F682 WeakPolarHBondContact OE2-CE2 3.19Å; R563-F682 HydrophobicContact CG-CE1 3.56Å; R563-F682 HydrophobicContact CG-CZ 3.88Å; R563-F682 VanDerWaalsContact CZ-CZ 3.43Å; L567-F682 HydrophobicContact CD1-CB 4.46Å; L567-F682 HydrophobicContact CD1-CD1 3.2Å; L567-F682 HydrophobicContact CD1-CE1 3.25Å; L567-F682 HydrophobicContact CD1-CG 4.1Å; L567-F682 HydrophobicContact CD1-CZ 4.26Å; L567-F682 HydrophobicContact CD2-CE1 4.32Å; L567-F682 HydrophobicContact CG-CD1 4.27Å; L567-F682 HydrophobicContact CG-CE1 3.87Å; I678-F682 VanDerWaalsContact O-CB 3.31Å; I678-F682 WeakPolarHBondContact O-CB 3.33Å; I678-F682 PolarHBondContact O-N 2.72Å; V680-F682 PolarHBondContact O-N 2.88Å; F682-A686 VanDerWaalsContact O-CB 3.28Å; F682-A686 WeakPolarHBondContact O-CB 3.37Å; F682-A686 PolarHBondContact O-N 3.2Å; F682-A686 VanDerWaalsContact O-N 3.1Å
683	I	82.3	Confident	80.9	Confident	42 Å²	42	40.2 Å²	40.2	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175.8	-69.8	167.8	0	0	0	109.6	M564 L567 I679 V680 A681 F687	M564-I683 HydrophobicContact CE-CD1 4.2Å; M564-I683 HydrophobicContact CG-CD1 4.05Å; M564-I683 HydrophobicContact CG-CG1 4.11Å; L567-I683 HydrophobicContact CD1-CG1 4.25Å; I679-I683 HydrophobicContact CG2-CD1 3.79Å; I679-I683 VanDerWaalsContact O-CG1 3.26Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.39Å; V680-I683 PolarHBondContact O-N 2.83Å; A681-I683 PolarHBondContact O-N 3.37Å; I683-F687 WeakPolarHBondContact O-CB 3.43Å; I683-F687 PolarHBondContact O-N 3.45Å
684	L	81.1	Confident	80.1	Confident	99 Å²	99	40.2 Å²	40.2	52%	0.518	22%	0.215	S	C	.	.	H	α-helix	trans	-62.5	-48.1	178.3	-75	172.4	0	0	0	111.8	V680 A681 F687 V688	V680-L684 HydrophobicContact CG1-CD1 3.78Å; V680-L684 HydrophobicContact CG1-CG 4.33Å; V680-L684 WeakPolarHBondContact O-CB 3.42Å; V680-L684 WeakPolarHBondContact O-CG 3.18Å; V680-L684 PolarHBondContact O-N 2.88Å; A681-L684 PolarHBondContact O-N 3Å; L684-F687 PolarHBondContact O-N 3.39Å; L684-V688 WeakPolarHBondContact O-CB 3.26Å; L684-V688 VanDerWaalsContact O-CG2 3.23Å; L684-V688 WeakPolarHBondContact O-CG2 3.12Å; L684-V688 PolarHBondContact O-N 3.18Å
685	D	79.5	Confident	79.3	Confident	52 Å²	52	47.8 Å²	47.8	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-49.7	178.9	-178.7	53.8	0	0	0	111.5	A681 F687 V688 F689	A681-D685 PolarHBondContact O-N 3.02Å; D685-F687 VanDerWaalsContact C-N 3.27Å; D685-F687 PolarHBondContact O-N 3.33Å; D685-V688 PolarHBondContact O-N 3.17Å; D685-F689 WeakPolarHBondContact O-CB 3.37Å; D685-F689 PolarHBondContact O-N 2.91Å
686	A	78.1	Confident	78.3	Confident	8 Å²	8	56.4 Å²	56.4	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-39.6	176.4	0	0	0	0	0	112.9	L560 F682 R690	L560-A686 HydrophobicContact CD1-CB 4.14Å; L560-A686 HydrophobicContact CD2-CB 4.1Å; F682-A686 VanDerWaalsContact O-CB 3.28Å; F682-A686 WeakPolarHBondContact O-CB 3.37Å; F682-A686 PolarHBondContact O-N 3.2Å; F682-A686 VanDerWaalsContact O-N 3.1Å; A686-R690 PolarHBondContact O-N 3.22Å; A686-R690 VanDerWaalsContact O-N 3.15Å
687	F	81.4	Confident	77.2	Confident	48 Å²	48	57.6 Å²	57.6	21%	0.211	29%	0.286	C	S	.	.	H	α-helix	trans	-73	-46.6	-178.5	-171.5	-84.4	0	0	0	111.9	V553 T556 L560 I683 L684 D685 R690 M691	V553-F687 HydrophobicContact CB-CZ 4.15Å; V553-F687 HydrophobicContact CG1-CE2 4.37Å; V553-F687 HydrophobicContact CG1-CZ 3.85Å; V553-F687 HydrophobicContact CG2-CZ 3.97Å; T556-F687 WeakPolarHBondContact OG1-CE2 3.37Å; T556-F687 WeakPolarHBondContact OG1-CZ 3.27Å; L560-F687 HydrophobicContact CD1-CB 4.21Å; L560-F687 HydrophobicContact CD1-CD2 4.29Å; I683-F687 WeakPolarHBondContact O-CB 3.43Å; I683-F687 PolarHBondContact O-N 3.45Å; L684-F687 PolarHBondContact O-N 3.39Å; D685-F687 VanDerWaalsContact C-N 3.27Å; D685-F687 PolarHBondContact O-N 3.33Å; F687-R690 PolarHBondContact O-N 3.33Å; F687-M691 HydrophobicContact CE1-SD 4.35Å; F687-M691 VanDerWaalsContact O-CB 3.31Å; F687-M691 WeakPolarHBondContact O-CB 3.49Å; F687-M691 PolarHBondContact O-N 3Å
688	V	78.1	Confident	76	Confident	62 Å²	62	62.3 Å²	62.3	38%	0.376	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-44.7	177.8	170.7	0	0	0	0	110.1	L684 D685 M691 N692	L684-V688 WeakPolarHBondContact O-CB 3.26Å; L684-V688 VanDerWaalsContact O-CG2 3.23Å; L684-V688 WeakPolarHBondContact O-CG2 3.12Å; L684-V688 PolarHBondContact O-N 3.18Å; D685-V688 PolarHBondContact O-N 3.17Å; V688-M691 PolarHBondContact O-N 3.23Å; V688-N692 WeakPolarHBondContact O-CB 3.06Å; V688-N692 PolarHBondContact O-N 2.83Å; V688-N692 PolarHBondContact O-ND2 3.28Å
689	F	75	Confident	73.9	Confident	47 Å²	47	68 Å²	68	21%	0.206	33%	0.331	C	S	.	.	H	α-helix	trans	-56.6	-52.3	175	178.6	-100.2	0	0	0	111.6	D685 M691 N692 Y693 L769 K772 M773	D685-F689 WeakPolarHBondContact O-CB 3.37Å; D685-F689 PolarHBondContact O-N 2.91Å; F689-M691 VanDerWaalsContact C-N 3.33Å; F689-M691 PolarHBondContact O-N 3.44Å; F689-N692 PolarHBondContact O-N 3.4Å; F689-Y693 VanDerWaalsContact O-CB 3.25Å; F689-Y693 WeakPolarHBondContact O-CB 3.33Å; F689-Y693 PolarHBondContact O-N 3.01Å; F689-L769 HydrophobicContact CD1-CD2 4.06Å; F689-L769 HydrophobicContact CE1-CB 4.04Å; F689-L769 HydrophobicContact CE1-CD2 3.7Å; F689-L769 WeakPolarHBondContact CE1-O 3.27Å; F689-L769 WeakPolarHBondContact CZ-O 3.39Å; F689-K772 HydrophobicContact CZ-CB 4.23Å; F689-M773 HydrophobicContact CD2-CB 4.34Å; F689-M773 HydrophobicContact CD2-CG 3.98Å; F689-M773 HydrophobicContact CD2-SD 4.13Å; F689-M773 HydrophobicContact CE1-CB 4.43Å; F689-M773 HydrophobicContact CE2-CB 3.67Å; F689-M773 HydrophobicContact CE2-CG 3.74Å; F689-M773 HydrophobicContact CE2-SD 4.38Å; F689-M773 HydrophobicContact CG-SD 4.36Å; F689-M773 HydrophobicContact CZ-CB 3.72Å; F689-M773 HydrophobicContact CZ-CG 4.27Å
690	R	74.8	Confident	71.8	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.109	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-39.1	179.6	-172.3	-176.1	175.2	-81.6	14.2	111.9	N552 D555 T556 E559 A686 F687 Y693 S694	N552-R690 PolarHBondContact O-NH1 3.35Å; D555-R690 PolarHBondContact O-NH2 3.3Å; T556-R690 VanDerWaalsContact CA-NH1 3.27Å; T556-R690 HydrophobicContact CG2-CB 4.05Å; T556-R690 VanDerWaalsContact CG2-CD 3.47Å; T556-R690 HydrophobicContact CG2-CG 3.75Å; T556-R690 VanDerWaalsContact N-NH1 3.12Å; E559-R690 IonicContact OE2-CZ 2.79Å; E559-R690 IonicContact OE2-NE 2.65Å; E559-R690 PolarHBondContact OE2-NE 3.47Å; E559-R690 IonicContact OE2-NH2 3.23Å; E559-R690 PolarHBondContact OE2-NH2 2.87Å; A686-R690 PolarHBondContact O-N 3.22Å; A686-R690 VanDerWaalsContact O-N 3.15Å; F687-R690 PolarHBondContact O-N 3.33Å; R690-Y693 PolarHBondContact O-N 2.84Å; R690-S694 VanDerWaalsContact O-CB 3.24Å; R690-S694 WeakPolarHBondContact O-CB 3.3Å; R690-S694 PolarHBondContact O-N 3.39Å
691	M	74.9	Confident	69.8	Low	82 Å²	82	73.5 Å²	73.5	40%	0.404	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-44.1	179.2	-175	176	59.2	0	0	111.5	F687 V688 F689 S694 R695	F687-M691 HydrophobicContact CE1-SD 4.35Å; F687-M691 VanDerWaalsContact O-CB 3.31Å; F687-M691 WeakPolarHBondContact O-CB 3.49Å; F687-M691 PolarHBondContact O-N 3Å; V688-M691 PolarHBondContact O-N 3.23Å; F689-M691 VanDerWaalsContact C-N 3.33Å; F689-M691 PolarHBondContact O-N 3.44Å; M691-S694 PolarHBondContact O-N 2.9Å; M691-R695 PolarHBondContact O-N 2.92Å; M691-R695 VanDerWaalsContact O-N 3.11Å
692	N	73.3	Confident	67.7	Low	68 Å²	68	80.1 Å²	80.1	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-41.5	175.9	-75.9	-23.6	0	0	0	111.7	V688 F689 R695 K696	V688-N692 WeakPolarHBondContact O-CB 3.06Å; V688-N692 PolarHBondContact O-N 2.83Å; V688-N692 PolarHBondContact O-ND2 3.28Å; F689-N692 PolarHBondContact O-N 3.4Å; N692-R695 WeakPolarHBondContact O-CB 3.38Å; N692-R695 PolarHBondContact O-N 3.33Å; N692-K696 PolarHBondContact O-N 2.95Å
693	Y	71.1	Confident	65.9	Low	40 Å²	40	84.6 Å²	84.6	16%	0.157	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-48.2	175.2	177.3	-104.7	0	0	0	112.1	F689 R690 R695 K696 N697 K772	F689-Y693 VanDerWaalsContact O-CB 3.25Å; F689-Y693 WeakPolarHBondContact O-CB 3.33Å; F689-Y693 PolarHBondContact O-N 3.01Å; R690-Y693 PolarHBondContact O-N 2.84Å; Y693-R695 PolarHBondContact O-N 3.35Å; Y693-R695 VanDerWaalsContact O-N 3.17Å; Y693-K696 PolarHBondContact O-N 3.49Å; Y693-N697 HydrophobicContact CE2-CB 4.39Å; Y693-N697 WeakPolarHBondContact CE2-ND2 3.22Å; Y693-N697 WeakPolarHBondContact CE2-OD1 3.44Å; Y693-N697 VanDerWaalsContact CZ-ND2 3.35Å; Y693-N697 PolarHBondContact O-N 3.05Å; Y693-N697 PolarHBondContact OH-ND2 3.36Å; Y693-K772 HydrophobicContact CD2-CD 4.47Å; Y693-K772 HydrophobicContact CE2-CD 3.77Å; Y693-K772 PolarHBondContact OH-NZ 3.02Å
694	S	69.6	Low	64.2	Low	32 Å²	32	86.9 Å²	86.9	22%	0.224	44%	0.442	C	S	.	.	H	α-helix	trans	-58.2	-29.3	175.3	176.4	0	0	0	0	112.2	N552 R690 M691	N552-S694 PolarHBondContact ND2-OG 3.49Å; R690-S694 VanDerWaalsContact O-CB 3.24Å; R690-S694 WeakPolarHBondContact O-CB 3.3Å; R690-S694 PolarHBondContact O-N 3.39Å; M691-S694 PolarHBondContact O-N 2.9Å
695	R	70.3	Confident	62.3	Low	172 Å²	172	88 Å²	88	65%	0.649	45%	0.445	S	S	*	.	H	α-helix	trans	-76.2	-39.5	174.6	-170.5	178.8	67.6	-167	-1.3	112.8	M691 N692 Y693	M691-R695 PolarHBondContact O-N 2.92Å; M691-R695 VanDerWaalsContact O-N 3.11Å; N692-R695 WeakPolarHBondContact O-CB 3.38Å; N692-R695 PolarHBondContact O-N 3.33Å; Y693-R695 PolarHBondContact O-N 3.35Å; Y693-R695 VanDerWaalsContact O-N 3.17Å
696	K	68.9	Low	60.6	Low	187 Å²	187	88.6 Å²	88.6	81%	0.813	45%	0.447	S	S	*	.	H	α-helix	trans	-73.2	-35.5	-177.5	-165.5	176.2	-178.7	-177.3	0	112.5	N692 Y693 R698	N692-K696 PolarHBondContact O-N 2.95Å; Y693-K696 PolarHBondContact O-N 3.49Å; K696-R698 VanDerWaalsContact C-N 3.3Å; K696-R698 PolarHBondContact O-N 3.27Å
697	N	64.1	Low	59.3	Low	84 Å²	84	92.5 Å²	92.5	45%	0.449	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	24.6	-179.2	-79.1	42.2	0	0	0	113.8	Y693 D699	Y693-N697 HydrophobicContact CE2-CB 4.39Å; Y693-N697 WeakPolarHBondContact CE2-ND2 3.22Å; Y693-N697 WeakPolarHBondContact CE2-OD1 3.44Å; Y693-N697 VanDerWaalsContact CZ-ND2 3.35Å; Y693-N697 PolarHBondContact O-N 3.05Å; Y693-N697 PolarHBondContact OH-ND2 3.36Å; N697-D699 PolarHBondContact O-N 3Å
698	R	58	Low	58	Low	132 Å²	132	94.7 Å²	94.7	50%	0.498	48%	0.478	S	S	.	.			trans	-76.8	74.3	169	-84.4	-175.8	177.8	169.7	3.4	109.9	K696	K696-R698 VanDerWaalsContact C-N 3.3Å; K696-R698 PolarHBondContact O-N 3.27Å
699	D	41.3	Very low	57.5	Low	125 Å²	125	91.9 Å²	91.9	67%	0.668	46%	0.462	S	S	*	.			trans	-70.2	141.6	151	-68	-42.2	0	0	0	107.7	N697 V701	N697-D699 PolarHBondContact O-N 3Å; D699-V701 HydrophobicContact CB-CG2 4.03Å; D699-V701 PolarHBondContact O-N 3.28Å
700	P	41.5	Very low	57.4	Low	125 Å²	125	91.7 Å²	91.7	81%	0.812	46%	0.463	S	S	*	.			trans	-70	77.2	172.7	30.3	-32.3	0	0	0	108.3	D702	P700-D702 PolarHBondContact O-N 3.46Å
701	V	41.2	Very low	57.7	Low	84 Å²	84	92.6 Å²	92.6	51%	0.509	47%	0.472	S	S	.	.			trans	-81.4	113.5	175.2	-174.9	0	0	0	0	107.2	D699 N703 D706	D699-V701 HydrophobicContact CB-CG2 4.03Å; D699-V701 PolarHBondContact O-N 3.28Å; V701-N703 PolarHBondContact O-N 3.08Å; V701-D706 HydrophobicContact CG1-CB 3.99Å
702	D	37.7	Very low	57.9	Low	160 Å²	160	90.6 Å²	90.6	86%	0.856	46%	0.46	S	S	*	.	S	Bend	trans	-59.1	-10.9	-179.7	-85	-38.2	0	0	0	113.9	P700	P700-D702 PolarHBondContact O-N 3.46Å
703	N	41.3	Very low	58.5	Low	98 Å²	98	91.7 Å²	91.7	52%	0.524	47%	0.467	S	S	.	.			trans	-115.4	111.9	-178.7	-76.9	-27.3	0	0	0	112.9	V701 E705 D706	V701-N703 PolarHBondContact O-N 3.08Å; N703-E705 PolarHBondContact O-N 3.22Å; N703-E705 VanDerWaalsContact O-N 3.09Å; N703-D706 PolarHBondContact O-N 3.33Å
704	P	46.1	Very low	59.2	Low	90 Å²	90	90.3 Å²	90.3	58%	0.584	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.4	175	26.1	-33	0	0	0	113.4	D706	P704-D706 VanDerWaalsContact C-N 3.31Å
705	E	42.8	Very low	60.1	Low	124 Å²	124	92.5 Å²	92.5	58%	0.579	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.3	176	-63.8	-162.6	163.8	0	0	113.2	N703 R761	N703-E705 PolarHBondContact O-N 3.22Å; N703-E705 VanDerWaalsContact O-N 3.09Å; E705-R761 PolarHBondContact O-NH1 2.67Å; E705-R761 PolarHBondContact O-NH2 3.35Å
706	D	43	Very low	60.9	Low	63 Å²	63	84.5 Å²	84.5	34%	0.337	44%	0.439	S	S	.	.	S	Bend	trans	-86.3	-10	-178.5	-67.4	-34.7	0	0	0	113.3	V701 N703 P704 N708	V701-D706 HydrophobicContact CG1-CB 3.99Å; N703-D706 PolarHBondContact O-N 3.33Å; P704-D706 VanDerWaalsContact C-N 3.31Å; D706-N708 PolarHBondContact O-N 3.24Å
707	E	50.7	Low	61.8	Low	90 Å²	90	82.5 Å²	82.5	42%	0.421	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31	-179.3	-74	-171.4	154.2	0	0	113.1	R551 G709 R764	R551-E707 IonicContact CZ-OE2 3.75Å; R551-E707 IonicContact NH2-OE1 3.19Å; R551-E707 PolarHBondContact NH2-OE1 3.44Å; R551-E707 IonicContact NH2-OE2 3.82Å; R551-E707 PolarHBondContact NH2-OE2 3.2Å; E707-G709 PolarHBondContact O-N 2.71Å; E707-R764 PolarHBondContact O-NH1 3.45Å
708	N	54	Low	62.7	Low	94 Å²	94	82.1 Å²	82.1	50%	0.503	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	18	-163.3	-61.9	-18	0	0	0	116	D706	D706-N708 PolarHBondContact O-N 3.24Å
709	G	67.2	Low	64	Low	4 Å²	4	81.3 Å²	81.3	4%	0.041	42%	0.424	C	S	.	.	S	Bend	trans	-178.1	-176.6	178.4	0	0	0	0	0	115.4	E707 R762 R764	E707-G709 PolarHBondContact O-N 2.71Å; G709-R762 VanDerWaalsContact CA-O 3.27Å; G709-R762 WeakPolarHBondContact CA-O 3.17Å; G709-R764 PolarHBondContact O-NH2 2.97Å; G709-R764 VanDerWaalsContact O-NH2 3.07Å
710	I	74.1	Confident	66.1	Low	43 Å²	43	78.5 Å²	78.5	22%	0.221	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.6	168.6	-55.5	166	0	0	0	106.8	F712 R762 R764	I710-F712 HydrophobicContact CB-CE2 4.49Å; I710-F712 HydrophobicContact CG2-CD2 3.99Å; I710-F712 HydrophobicContact CG2-CE2 3.42Å; I710-F712 VanDerWaalsContact CG2-CE2 3.42Å; I710-F712 HydrophobicContact CG2-CZ 4.21Å; I710-R762 HydrophobicContact CB-CG 4.36Å; I710-R762 PolarHBondContact N-O 3.28Å; I710-R762 PolarHBondContact O-N 3.41Å; I710-R764 HydrophobicContact CD1-CG 4.41Å; I710-R764 HydrophobicContact CG1-CG 4.1Å
711	V	79.8	Confident	68.1	Low	48 Å²	48	72.8 Å²	72.8	29%	0.291	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.1	-176.2	-176.9	0	0	0	0	108.9	L759 G760	V711-L759 HydrophobicContact CG1-CD1 3.58Å; V711-L759 HydrophobicContact CG1-CD2 4.12Å; V711-L759 HydrophobicContact CG1-CG 3.73Å; V711-G760 CarbonylContact C-O 3.17Å; V711-G760 WeakPolarHBondContact CA-O 3.18Å
712	F	80.9	Confident	70.1	Confident	39 Å²	39	72.3 Å²	72.3	17%	0.171	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.8	174.9	-75.5	-98.4	0	0	0	109.4	L405 W407 I710 G760	L405-F712 HydrophobicContact CD1-CB 4.02Å; L405-F712 HydrophobicContact CD1-CD2 3.5Å; L405-F712 VanDerWaalsContact CD1-CD2 3.5Å; L405-F712 HydrophobicContact CD1-CE2 4Å; L405-F712 HydrophobicContact CD1-CG 3.77Å; L405-F712 HydrophobicContact CD2-CD2 3.51Å; L405-F712 HydrophobicContact CD2-CE2 3.98Å; L405-F712 HydrophobicContact CD2-CG 4.45Å; L405-F712 HydrophobicContact CG-CD2 4.13Å; W407-F712 HydrophobicContact CH2-CB 4.32Å; I710-F712 HydrophobicContact CB-CE2 4.49Å; I710-F712 HydrophobicContact CG2-CD2 3.99Å; I710-F712 HydrophobicContact CG2-CE2 3.42Å; I710-F712 VanDerWaalsContact CG2-CE2 3.42Å; I710-F712 HydrophobicContact CG2-CZ 4.21Å; F712-G760 PolarHBondContact N-O 3.07Å; F712-G760 PolarHBondContact O-N 2.85Å
713	D	84.9	Confident	72.4	Confident	92 Å²	92	67.5 Å²	67.5	49%	0.492	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.5	175.9	-74.2	13.4	0	0	0	108.7	R410 L759	R410-D713 IonicContact NH1-OD2 3.77Å; D713-L759 WeakPolarHBondContact OD1-CD1 3.21Å
714	V	86.3	Confident	74.4	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.2	176.3	177.5	0	0	0	0	108.9	L378 K381 A382 W407 V716 Y758	L378-V714 HydrophobicContact CD2-CB 4.46Å; L378-V714 HydrophobicContact CD2-CG1 4.05Å; K381-V714 HydrophobicContact CB-CG1 4.06Å; K381-V714 HydrophobicContact CD-CG1 3.64Å; K381-V714 HydrophobicContact CG-CG1 3.78Å; A382-V714 HydrophobicContact CB-CG2 4Å; W407-V714 HydrophobicContact CH2-CB 4.2Å; W407-V714 HydrophobicContact CH2-CG2 3.39Å; W407-V714 HydrophobicContact CZ3-CB 3.87Å; W407-V714 HydrophobicContact CZ3-CG2 3.54Å; V714-V716 HydrophobicContact CG1-CG2 4.42Å; V714-Y758 PolarHBondContact N-O 3.02Å; V714-Y758 PolarHBondContact O-N 2.98Å
715	E	87.6	Confident	76.2	Confident	78 Å²	78	60 Å²	60	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.3	170.3	-169.9	-171.8	145.5	0	0	109.6	K381 R717 F755	K381-E715 VanDerWaalsContact CE-O 3.22Å; K381-E715 WeakPolarHBondContact CE-O 3.44Å; K381-E715 PolarHBondContact NZ-O 3.34Å; E715-R717 IonicContact OE1-NE 3.49Å; E715-F755 HydrophobicContact CG-CB 3.99Å; E715-F755 HydrophobicContact CG-CD2 3.85Å; E715-F755 HydrophobicContact CG-CG 4.23Å
716	V	86.9	Confident	78.1	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.2	174.5	177.6	0	0	0	0	109	F377 L378 V714 A721 F755 L756 Y758	F377-V716 HydrophobicContact CE1-CG1 3.86Å; F377-V716 HydrophobicContact CE1-CG2 4.05Å; L378-V716 HydrophobicContact CD2-CG2 3.45Å; L378-V716 VanDerWaalsContact CD2-CG2 3.45Å; V714-V716 HydrophobicContact CG1-CG2 4.42Å; V716-A721 HydrophobicContact CG1-CB 4.18Å; V716-F755 CarbonylContact O-C 3.42Å; V716-F755 VanDerWaalsContact O-CA 3.25Å; V716-F755 WeakPolarHBondContact O-CA 3.35Å; V716-L756 PolarHBondContact N-O 3.42Å; V716-L756 PolarHBondContact O-N 3.21Å; V716-Y758 HydrophobicContact CG2-CD2 4.02Å; V716-Y758 HydrophobicContact CG2-CE2 4.41Å
717	R	87.5	Confident	80	Confident	145 Å²	145	59.2 Å²	59.2	55%	0.547	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	152.1	175.9	-67.3	-177.7	173.4	-173.3	0.8	111.1	E715 D719 E720 A721	E715-R717 IonicContact OE1-NE 3.49Å; R717-D719 VanDerWaalsContact C-N 3.32Å; R717-D719 PolarHBondContact O-N 3.03Å; R717-E720 HydrophobicContact CB-CG 4.26Å; R717-E720 PolarHBondContact O-N 3.45Å; R717-A721 PolarHBondContact O-N 2.66Å; R717-A721 VanDerWaalsContact O-N 3.12Å
718	R	84.2	Confident	81.4	Confident	77 Å²	77	55 Å²	55	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-55.6	-44.4	178.4	-168.1	-171.3	-175.9	88.3	-0.7	113	E720 A721 M722 L745 M748 D749 T754	R718-E720 PolarHBondContact O-N 2.99Å; R718-A721 PolarHBondContact O-N 3.14Å; R718-M722 HydrophobicContact CG-CE 4.29Å; R718-M722 WeakPolarHBondContact O-CG 3.3Å; R718-M722 PolarHBondContact O-N 3.4Å; R718-L745 HydrophobicContact CG-CD2 4.27Å; R718-M748 HydrophobicContact CB-CE 4.32Å; R718-M748 HydrophobicContact CB-SD 4.21Å; R718-M748 HydrophobicContact CG-CE 4.32Å; R718-D749 IonicContact CZ-OD1 2.9Å; R718-D749 IonicContact NH1-OD1 2.82Å; R718-D749 PolarHBondContact NH1-OD1 3.09Å; R718-D749 IonicContact NH2-OD1 3.83Å; R718-D749 PolarHBondContact NH2-OD1 3.09Å; R718-D749 IonicContact NH2-OD2 3.89Å; R718-T754 PolarHBondContact N-O 2.72Å
719	D	85.4	Confident	82.7	Confident	115 Å²	115	56.7 Å²	56.7	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-41.1	-175.7	-54.9	-29.6	0	0	0	111.8	R717 M722 A723	R717-D719 VanDerWaalsContact C-N 3.32Å; R717-D719 PolarHBondContact O-N 3.03Å; D719-M722 PolarHBondContact O-N 3.42Å; D719-A723 WeakPolarHBondContact O-CB 3.34Å; D719-A723 PolarHBondContact O-N 3.38Å
720	E	84.8	Confident	83.1	Confident	66 Å²	66	64.3 Å²	64.3	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-41.1	175.6	-60.9	173.7	-176.7	0	0	111.7	F377 K381 R717 R718 M722 A723 T724	F377-E720 HydrophobicContact CZ-CB 4.27Å; K381-E720 VanDerWaalsContact NZ-CD 3.31Å; K381-E720 IonicContact NZ-OE1 2.77Å; K381-E720 PolarHBondContact NZ-OE1 3.21Å; K381-E720 IonicContact NZ-OE2 2.77Å; K381-E720 PolarHBondContact NZ-OE2 3.07Å; R717-E720 HydrophobicContact CB-CG 4.26Å; R717-E720 PolarHBondContact O-N 3.45Å; R718-E720 PolarHBondContact O-N 2.99Å; E720-M722 VanDerWaalsContact C-N 3.33Å; E720-M722 PolarHBondContact O-N 3.38Å; E720-A723 PolarHBondContact O-N 3.25Å; E720-T724 WeakPolarHBondContact O-CB 3.2Å; E720-T724 WeakPolarHBondContact O-CG2 3.49Å; E720-T724 PolarHBondContact O-N 3.17Å; E720-T724 PolarHBondContact O-OG1 3.06Å
721	A	83.1	Confident	82.8	Confident	4 Å²	4	64.4 Å²	64.4	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-35.5	176.6	0	0	0	0	0	112	V716 R717 R718 T724 L725 L745 M748	V716-A721 HydrophobicContact CG1-CB 4.18Å; R717-A721 PolarHBondContact O-N 2.66Å; R717-A721 VanDerWaalsContact O-N 3.12Å; R718-A721 PolarHBondContact O-N 3.14Å; A721-T724 WeakPolarHBondContact CA-OG1 3.38Å; A721-T724 PolarHBondContact O-OG1 3.46Å; A721-L725 WeakPolarHBondContact O-CB 3.36Å; A721-L725 PolarHBondContact O-N 3.11Å; A721-L745 HydrophobicContact CB-CD2 3.8Å; A721-M748 HydrophobicContact CB-CE 4Å
722	M	84.4	Confident	82	Confident	75 Å²	75	62.5 Å²	62.5	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-47.7	174.2	-72.6	-164.7	-62.9	0	0	111.8	R718 D719 E720 T724 L725 E726 L745	R718-M722 HydrophobicContact CG-CE 4.29Å; R718-M722 WeakPolarHBondContact O-CG 3.3Å; R718-M722 PolarHBondContact O-N 3.4Å; D719-M722 PolarHBondContact O-N 3.42Å; E720-M722 VanDerWaalsContact C-N 3.33Å; E720-M722 PolarHBondContact O-N 3.38Å; M722-T724 VanDerWaalsContact C-N 3.27Å; M722-T724 PolarHBondContact O-N 3.16Å; M722-L725 WeakPolarHBondContact O-CB 3.49Å; M722-L725 PolarHBondContact O-N 2.91Å; M722-L725 VanDerWaalsContact O-N 3.11Å; M722-E726 PolarHBondContact O-N 2.87Å; M722-L745 HydrophobicContact CG-CD1 4.24Å; M722-L745 HydrophobicContact CG-CD2 3.87Å
723	A	84.5	Confident	80.9	Confident	58 Å²	58	66 Å²	66	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-40	178	0	0	0	0	0	112	D719 E720 L727	D719-A723 WeakPolarHBondContact O-CB 3.34Å; D719-A723 PolarHBondContact O-N 3.38Å; E720-A723 PolarHBondContact O-N 3.25Å; A723-L727 PolarHBondContact O-N 3.21Å; A723-L727 VanDerWaalsContact O-N 3.1Å
724	T	83.3	Confident	79.9	Confident	10 Å²	10	65.2 Å²	65.2	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-69.4	-41.1	174.3	46.9	0	0	0	0	112.6	L357 F377 E720 A721 M722 E726 L727 Y728	L357-T724 HydrophobicContact CD2-CG2 3.52Å; F377-T724 HydrophobicContact CD2-CG2 3.62Å; F377-T724 HydrophobicContact CE2-CG2 3.55Å; F377-T724 HydrophobicContact CG-CG2 4.39Å; F377-T724 HydrophobicContact CZ-CG2 4.28Å; E720-T724 WeakPolarHBondContact O-CB 3.2Å; E720-T724 WeakPolarHBondContact O-CG2 3.49Å; E720-T724 PolarHBondContact O-N 3.17Å; E720-T724 PolarHBondContact O-OG1 3.06Å; A721-T724 WeakPolarHBondContact CA-OG1 3.38Å; A721-T724 PolarHBondContact O-OG1 3.46Å; M722-T724 VanDerWaalsContact C-N 3.27Å; M722-T724 PolarHBondContact O-N 3.16Å; T724-E726 VanDerWaalsContact C-N 3.3Å; T724-E726 PolarHBondContact O-N 3.26Å; T724-L727 PolarHBondContact O-N 3.43Å; T724-Y728 VanDerWaalsContact O-CD2 3.29Å; T724-Y728 WeakPolarHBondContact O-CD2 3.32Å; T724-Y728 PolarHBondContact O-N 3.12Å
725	L	84.1	Confident	78.8	Confident	20 Å²	20	72.7 Å²	72.7	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-42	175.1	-175.1	72.2	0	0	0	111.9	A721 M722 Y728 K729 L738 L741 L745	A721-L725 WeakPolarHBondContact O-CB 3.36Å; A721-L725 PolarHBondContact O-N 3.11Å; M722-L725 WeakPolarHBondContact O-CB 3.49Å; M722-L725 PolarHBondContact O-N 2.91Å; M722-L725 VanDerWaalsContact O-N 3.11Å; L725-Y728 PolarHBondContact O-N 3.15Å; L725-K729 WeakPolarHBondContact O-CG 3.4Å; L725-K729 PolarHBondContact O-N 3.14Å; L725-L738 HydrophobicContact CD1-CD2 3.99Å; L725-L741 HydrophobicContact CD1-CB 3.81Å; L725-L745 HydrophobicContact CD2-CD1 3.68Å
726	E	84.3	Confident	78	Confident	117 Å²	117	73.1 Å²	73.1	55%	0.547	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.7	-72.2	-176.8	178.1	0	0	112.3	M722 T724 Y728 K729 Q730	M722-E726 PolarHBondContact O-N 2.87Å; T724-E726 VanDerWaalsContact C-N 3.3Å; T724-E726 PolarHBondContact O-N 3.26Å; E726-Y728 VanDerWaalsContact C-N 3.32Å; E726-Y728 PolarHBondContact O-N 2.48Å; E726-K729 WeakPolarHBondContact O-CB 3.3Å; E726-K729 PolarHBondContact O-N 2.95Å; E726-Q730 WeakPolarHBondContact O-CG 3.34Å; E726-Q730 PolarHBondContact O-N 3.3Å; E726-Q730 VanDerWaalsContact O-N 3.1Å
727	L	81.8	Confident	77.3	Confident	55 Å²	55	73.3 Å²	73.3	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-42.4	174.9	-173.3	149.3	0	0	0	111.7	A723 T724 Q730 T731	A723-L727 PolarHBondContact O-N 3.21Å; A723-L727 VanDerWaalsContact O-N 3.1Å; T724-L727 PolarHBondContact O-N 3.43Å; L727-Q730 PolarHBondContact O-N 2.96Å; L727-T731 VanDerWaalsContact O-CB 3.29Å; L727-T731 WeakPolarHBondContact O-CB 3.33Å; L727-T731 PolarHBondContact O-N 3.37Å; L727-T731 PolarHBondContact O-OG1 3.36Å
728	Y	80.8	Confident	76.9	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-69.4	-36.5	177.3	-88.5	-98.4	0	0	0	112.8	D361 A373 T724 L725 E726 Q730 T731 S732 L741	D361-Y728 PolarHBondContact OD1-OH 3.39Å; A373-Y728 HydrophobicContact CB-CD1 4.3Å; A373-Y728 HydrophobicContact CB-CE1 3.65Å; T724-Y728 VanDerWaalsContact O-CD2 3.29Å; T724-Y728 WeakPolarHBondContact O-CD2 3.32Å; T724-Y728 PolarHBondContact O-N 3.12Å; L725-Y728 PolarHBondContact O-N 3.15Å; E726-Y728 VanDerWaalsContact C-N 3.32Å; E726-Y728 PolarHBondContact O-N 2.48Å; Y728-Q730 PolarHBondContact O-N 3.48Å; Y728-T731 PolarHBondContact O-N 2.93Å; Y728-S732 CarbonylContact O-C 3.55Å; Y728-S732 PolarHBondContact O-N 3.01Å; Y728-L741 HydrophobicContact CD1-CD1 4.42Å; Y728-L741 HydrophobicContact CD2-CD1 3.95Å; Y728-L741 HydrophobicContact CE2-CD1 4.16Å; Y728-L741 HydrophobicContact CG-CD1 4.05Å
729	K	80.6	Confident	76.7	Confident	129 Å²	129	68.1 Å²	68.1	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-57.9	-38.5	172	-76.4	176.7	-179.2	176	0	111.7	L725 E726 L738	L725-K729 WeakPolarHBondContact O-CG 3.4Å; L725-K729 PolarHBondContact O-N 3.14Å; E726-K729 WeakPolarHBondContact O-CB 3.3Å; E726-K729 PolarHBondContact O-N 2.95Å; K729-L738 HydrophobicContact CB-CD2 4.49Å; K729-L738 HydrophobicContact CG-CD2 3.64Å
730	Q	75.6	Confident	76.5	Confident	164 Å²	164	63.9 Å²	63.9	77%	0.766	35%	0.354	S	S	*	.	H	α-helix	trans	-78.7	-33.9	179.1	-67.1	176.7	3.9	0	0	113.2	E726 L727 Y728	E726-Q730 WeakPolarHBondContact O-CG 3.34Å; E726-Q730 PolarHBondContact O-N 3.3Å; E726-Q730 VanDerWaalsContact O-N 3.1Å; L727-Q730 PolarHBondContact O-N 2.96Å; Y728-Q730 PolarHBondContact O-N 3.48Å
731	T	68.4	Low	76.3	Confident	44 Å²	44	61 Å²	61	27%	0.27	34%	0.34	S	S	.	.	H	α-helix	trans	-100.3	-28.7	-167.1	-42.7	0	0	0	0	113.9	K358 L727 Y728	K358-T731 HydrophobicContact CD-CG2 4.29Å; K358-T731 HydrophobicContact CG-CG2 4.21Å; L727-T731 VanDerWaalsContact O-CB 3.29Å; L727-T731 WeakPolarHBondContact O-CB 3.33Å; L727-T731 PolarHBondContact O-N 3.37Å; L727-T731 PolarHBondContact O-OG1 3.36Å; Y728-T731 PolarHBondContact O-N 2.93Å
732	S	63	Low	76.2	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.063	36%	0.356	C	S	.	.			trans	-157.9	109.4	179.6	54.7	0	0	0	0	113.3	R365 Y728 T734	R365-S732 VanDerWaalsContact NH2-CB 3.34Å; R365-S732 PolarHBondContact NH2-OG 3.17Å; R365-S732 VanDerWaalsContact NH2-OG 3.09Å; Y728-S732 CarbonylContact O-C 3.55Å; Y728-S732 PolarHBondContact O-N 3.01Å; S732-T734 PolarHBondContact O-N 3.31Å; S732-T734 VanDerWaalsContact O-N 3.08Å
733	P	57.2	Low	76.1	Confident	111 Å²	111	61.6 Å²	61.6	72%	0.721	36%	0.358	S	S	*	.			trans	-86.3	39.6	-177.5	36.3	-36.3	0	0	0	113	M735	P733-M735 PolarHBondContact O-N 3.4Å
734	T	64.6	Low	76	Confident	77 Å²	77	59.2 Å²	59.2	47%	0.472	34%	0.337	S	S	.	.			trans	-75.6	115.9	171.6	43.2	0	0	0	0	109	S732 S736 S737 L738	S732-T734 PolarHBondContact O-N 3.31Å; S732-T734 VanDerWaalsContact O-N 3.08Å; T734-S736 PolarHBondContact O-N 3.15Å; T734-S737 PolarHBondContact O-N 2.88Å; T734-S737 PolarHBondContact O-OG 2.86Å; T734-S737 WeakPolarHBondContact OG1-CB 3.45Å; T734-S737 PolarHBondContact OG1-OG 3.12Å; T734-L738 PolarHBondContact O-N 3.08Å
735	M	62.9	Low	75.9	Confident	167 Å²	167	59.8 Å²	59.8	82%	0.823	34%	0.34	S	S	*	.	H	α-helix	trans	-55.3	-30.1	-174.9	-69.5	-160.7	82.6	0	0	113.8	P733 S739	P733-M735 PolarHBondContact O-N 3.4Å; M735-S739 WeakPolarHBondContact O-CB 3.31Å; M735-S739 PolarHBondContact O-N 3.01Å; M735-S739 PolarHBondContact O-OG 3.31Å
736	S	71.6	Confident	75.8	Confident	88 Å²	88	63.9 Å²	63.9	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-70.6	-31.7	177.3	57.4	0	0	0	0	114.2	T734 S739 S740	T734-S736 PolarHBondContact O-N 3.15Å; S736-S739 PolarHBondContact O-OG 3.49Å; S736-S739 VanDerWaalsContact O-OG 3.06Å; S736-S740 PolarHBondContact O-N 3.46Å
737	S	71.2	Confident	75.6	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-72.8	-44	177.3	65.3	0	0	0	0	110.5	T734 S740 L741	T734-S737 PolarHBondContact O-N 2.88Å; T734-S737 PolarHBondContact O-OG 2.86Å; T734-S737 WeakPolarHBondContact OG1-CB 3.45Å; T734-S737 PolarHBondContact OG1-OG 3.12Å; S737-S740 PolarHBondContact O-N 3.5Å; S737-S740 PolarHBondContact O-OG 2.87Å; S737-L741 PolarHBondContact O-N 2.87Å
738	L	78.1	Confident	75.5	Confident	41 Å²	41	57.6 Å²	57.6	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.6	-68.7	168.1	0	0	0	112.1	L725 K729 T734 S740 L741 A742	L725-L738 HydrophobicContact CD1-CD2 3.99Å; K729-L738 HydrophobicContact CB-CD2 4.49Å; K729-L738 HydrophobicContact CG-CD2 3.64Å; T734-L738 PolarHBondContact O-N 3.08Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 3.34Å; L738-L741 PolarHBondContact O-N 3.41Å; L738-A742 WeakPolarHBondContact O-CB 3.42Å; L738-A742 PolarHBondContact O-N 3.42Å
739	S	80.2	Confident	75.5	Confident	72 Å²	72	62 Å²	62	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-36.2	178.2	68.2	0	0	0	0	112.5	M735 S736 A743	M735-S739 WeakPolarHBondContact O-CB 3.31Å; M735-S739 PolarHBondContact O-N 3.01Å; M735-S739 PolarHBondContact O-OG 3.31Å; S736-S739 PolarHBondContact O-OG 3.49Å; S736-S739 VanDerWaalsContact O-OG 3.06Å; S739-A743 WeakPolarHBondContact O-CB 3.47Å; S739-A743 PolarHBondContact O-N 3.48Å
740	S	81.8	Confident	75.4	Confident	26 Å²	26	63.9 Å²	63.9	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-38.5	179.3	74.7	0	0	0	0	113.4	S736 S737 L738	S736-S740 PolarHBondContact O-N 3.46Å; S737-S740 PolarHBondContact O-N 3.5Å; S737-S740 PolarHBondContact O-OG 2.87Å; L738-S740 VanDerWaalsContact C-N 3.33Å; L738-S740 PolarHBondContact O-N 3.34Å
741	L	80.3	Confident	75.2	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-77.8	-39.7	175.9	-82.8	148.7	0	0	0	111.4	A373 L725 Y728 S737 L738 A743 V744 L745	A373-L741 HydrophobicContact CB-CD1 3.69Å; A373-L741 HydrophobicContact CB-CG 4.39Å; L725-L741 HydrophobicContact CD1-CB 3.81Å; Y728-L741 HydrophobicContact CD1-CD1 4.42Å; Y728-L741 HydrophobicContact CD2-CD1 3.95Å; Y728-L741 HydrophobicContact CE2-CD1 4.16Å; Y728-L741 HydrophobicContact CG-CD1 4.05Å; S737-L741 PolarHBondContact O-N 2.87Å; L738-L741 PolarHBondContact O-N 3.41Å; L741-A743 PolarHBondContact O-N 3.49Å; L741-V744 VanDerWaalsContact O-CB 3.31Å; L741-V744 WeakPolarHBondContact O-CB 2.97Å; L741-V744 PolarHBondContact O-N 3.02Å; L741-L745 PolarHBondContact O-N 3.45Å
742	A	81.4	Confident	75.4	Confident	44 Å²	44	59.8 Å²	59.8	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-34.9	173.3	0	0	0	0	0	112	L738 V744 L745 Q746	L738-A742 WeakPolarHBondContact O-CB 3.42Å; L738-A742 PolarHBondContact O-N 3.42Å; A742-V744 VanDerWaalsContact C-N 3.25Å; A742-V744 PolarHBondContact O-N 2.95Å; A742-L745 PolarHBondContact O-N 3.46Å; A742-Q746 WeakPolarHBondContact O-CB 3.4Å; A742-Q746 PolarHBondContact O-N 2.87Å
743	A	81.9	Confident	76	Confident	49 Å²	49	65 Å²	65	41%	0.405	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-29	173.7	0	0	0	0	0	113	S739 L741 A747	S739-A743 WeakPolarHBondContact O-CB 3.47Å; S739-A743 PolarHBondContact O-N 3.48Å; L741-A743 PolarHBondContact O-N 3.49Å; A743-A747 VanDerWaalsContact O-CB 3.29Å; A743-A747 WeakPolarHBondContact O-CB 3.33Å; A743-A747 PolarHBondContact O-N 3.07Å
744	V	81.9	Confident	77.1	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.042	39%	0.387	C	S	.	.	H	α-helix	trans	-68.7	-46.1	173.8	-174.3	0	0	0	0	110.2	R374 L741 A742 A747 M748 L756 Y758	R374-V744 HydrophobicContact CB-CG2 4.44Å; R374-V744 HydrophobicContact CG-CG2 3.82Å; L741-V744 VanDerWaalsContact O-CB 3.31Å; L741-V744 WeakPolarHBondContact O-CB 2.97Å; L741-V744 PolarHBondContact O-N 3.02Å; A742-V744 VanDerWaalsContact C-N 3.25Å; A742-V744 PolarHBondContact O-N 2.95Å; V744-A747 PolarHBondContact O-N 3.11Å; V744-M748 HydrophobicContact CG1-CE 4.15Å; V744-M748 PolarHBondContact O-N 3.39Å; V744-L756 HydrophobicContact CG1-CD1 4.1Å; V744-Y758 HydrophobicContact CG1-CE2 4.25Å
745	L	82.2	Confident	77.8	Confident	22 Å²	22	65.3 Å²	65.3	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-45.1	175.6	-65.2	176.1	0	0	0	111.4	R718 A721 M722 L725 L741 A742 A747 M748 D749	R718-L745 HydrophobicContact CG-CD2 4.27Å; A721-L745 HydrophobicContact CB-CD2 3.8Å; M722-L745 HydrophobicContact CG-CD1 4.24Å; M722-L745 HydrophobicContact CG-CD2 3.87Å; L725-L745 HydrophobicContact CD2-CD1 3.68Å; L741-L745 PolarHBondContact O-N 3.45Å; A742-L745 PolarHBondContact O-N 3.46Å; L745-A747 VanDerWaalsContact C-N 3.27Å; L745-A747 PolarHBondContact O-N 2.98Å; L745-M748 HydrophobicContact CD2-CE 3.62Å; L745-M748 WeakPolarHBondContact O-CB 3.47Å; L745-M748 PolarHBondContact O-N 3.32Å; L745-M748 VanDerWaalsContact O-N 3.09Å; L745-D749 PolarHBondContact O-N 2.97Å
746	Q	82.8	Confident	78.8	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-33.8	177.4	-166.9	-176.3	18.6	0	0	112.3	A742 D749 K750	A742-Q746 WeakPolarHBondContact O-CB 3.4Å; A742-Q746 PolarHBondContact O-N 2.87Å; Q746-D749 PolarHBondContact O-N 3.46Å; Q746-K750 WeakPolarHBondContact O-CB 3.35Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å; Q746-K750 PolarHBondContact O-N 2.93Å
747	A	78.9	Confident	79.5	Confident	38 Å²	38	56 Å²	56	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-68.9	-36.3	173.9	0	0	0	0	0	112.2	A743 V744 L745 S751 L756	A743-A747 VanDerWaalsContact O-CB 3.29Å; A743-A747 WeakPolarHBondContact O-CB 3.33Å; A743-A747 PolarHBondContact O-N 3.07Å; V744-A747 PolarHBondContact O-N 3.11Å; L745-A747 VanDerWaalsContact C-N 3.27Å; L745-A747 PolarHBondContact O-N 2.98Å; A747-S751 WeakPolarHBondContact O-CB 3.38Å; A747-S751 PolarHBondContact O-N 2.92Å; A747-S751 VanDerWaalsContact O-N 3.16Å; A747-S751 PolarHBondContact O-OG 2.92Å; A747-L756 HydrophobicContact CB-CD1 4.08Å
748	M	80.5	Confident	80.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-44.9	171.1	-70.5	-173.2	-76.5	0	0	111.2	R718 A721 V744 L745 K750 S751 G752 L756	R718-M748 HydrophobicContact CB-CE 4.32Å; R718-M748 HydrophobicContact CB-SD 4.21Å; R718-M748 HydrophobicContact CG-CE 4.32Å; A721-M748 HydrophobicContact CB-CE 4Å; V744-M748 HydrophobicContact CG1-CE 4.15Å; V744-M748 PolarHBondContact O-N 3.39Å; L745-M748 HydrophobicContact CD2-CE 3.62Å; L745-M748 WeakPolarHBondContact O-CB 3.47Å; L745-M748 PolarHBondContact O-N 3.32Å; L745-M748 VanDerWaalsContact O-N 3.09Å; M748-K750 VanDerWaalsContact C-N 3.34Å; M748-K750 PolarHBondContact O-N 3.14Å; M748-S751 PolarHBondContact O-N 3.44Å; M748-S751 PolarHBondContact O-OG 3.46Å; M748-S751 VanDerWaalsContact O-OG 3.11Å; M748-G752 PolarHBondContact O-N 3.41Å; M748-L756 HydrophobicContact CB-CD1 4.43Å; M748-L756 HydrophobicContact CG-CB 4.47Å; M748-L756 HydrophobicContact CG-CD1 3.28Å; M748-L756 HydrophobicContact CG-CG 3.69Å; M748-L756 HydrophobicContact SD-CD1 4.24Å; M748-L756 HydrophobicContact SD-CG 4.48Å
749	D	80.9	Confident	80.6	Confident	95 Å²	95	56.5 Å²	56.5	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-41.5	177.7	-67.2	-26.2	0	0	0	112.1	R718 L745 Q746 S751	R718-D749 IonicContact CZ-OD1 2.9Å; R718-D749 IonicContact NH1-OD1 2.82Å; R718-D749 PolarHBondContact NH1-OD1 3.09Å; R718-D749 IonicContact NH2-OD1 3.83Å; R718-D749 PolarHBondContact NH2-OD1 3.09Å; R718-D749 IonicContact NH2-OD2 3.89Å; L745-D749 PolarHBondContact O-N 2.97Å; Q746-D749 PolarHBondContact O-N 3.46Å; D749-S751 VanDerWaalsContact C-N 3.33Å; D749-S751 PolarHBondContact O-N 3.44Å
750	K	78.4	Confident	80.9	Confident	168 Å²	168	53 Å²	53	73%	0.73	31%	0.309	S	S	*	.	H	α-helix	trans	-69.2	-27.9	177.5	-78.3	-178.7	178.7	-177.5	0	114	Q746 M748	Q746-K750 WeakPolarHBondContact O-CB 3.35Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å; Q746-K750 PolarHBondContact O-N 2.93Å; M748-K750 VanDerWaalsContact C-N 3.34Å; M748-K750 PolarHBondContact O-N 3.14Å
751	S	70.1	Confident	81	Confident	54 Å²	54	55.5 Å²	55.5	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-94.2	-16.3	-177.4	54.9	0	0	0	0	113.3	A747 M748 D749 H753	A747-S751 WeakPolarHBondContact O-CB 3.38Å; A747-S751 PolarHBondContact O-N 2.92Å; A747-S751 VanDerWaalsContact O-N 3.16Å; A747-S751 PolarHBondContact O-OG 2.92Å; M748-S751 PolarHBondContact O-N 3.44Å; M748-S751 PolarHBondContact O-OG 3.46Å; M748-S751 VanDerWaalsContact O-OG 3.11Å; D749-S751 VanDerWaalsContact C-N 3.33Å; D749-S751 PolarHBondContact O-N 3.44Å; S751-H753 PolarHBondContact O-N 2.88Å
752	G	72.6	Confident	81.2	Confident	68 Å²	68	56.3 Å²	56.3	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	8.8	-176.6	0	0	0	0	0	114	M748	M748-G752 PolarHBondContact O-N 3.41Å
753	H	77.4	Confident	80.9	Confident	119 Å²	119	58.3 Å²	58.3	55%	0.551	33%	0.328	S	S	*	.			trans	-97	144.8	178.9	-66.1	-55.2	0	0	0	112	S751	S751-H753 PolarHBondContact O-N 2.88Å
754	T	78.4	Confident	80.5	Confident	104 Å²	104	59.3 Å²	59.3	64%	0.638	32%	0.321	S	S	*	.	S	Bend	trans	-83	-11.8	178.7	50.6	0	0	0	0	113.7	R718	R718-T754 PolarHBondContact N-O 2.72Å
755	F	80.7	Confident	80.2	Confident	90 Å²	90	61.8 Å²	61.8	40%	0.395	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.8	177.3	65.5	-87.4	0	0	0	111.2	E715 V716 V757	E715-F755 HydrophobicContact CG-CB 3.99Å; E715-F755 HydrophobicContact CG-CD2 3.85Å; E715-F755 HydrophobicContact CG-CG 4.23Å; V716-F755 CarbonylContact O-C 3.42Å; V716-F755 VanDerWaalsContact O-CA 3.25Å; V716-F755 WeakPolarHBondContact O-CA 3.35Å; F755-V757 HydrophobicContact CD2-CG2 4.32Å; F755-V757 HydrophobicContact CE2-CG2 4.37Å
756	L	84.4	Confident	79.8	Confident	27 Å²	27	65.5 Å²	65.5	14%	0.141	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.5	173.2	-89.7	164	0	0	0	109.6	V716 V744 A747 M748 Y758	V716-L756 PolarHBondContact N-O 3.42Å; V716-L756 PolarHBondContact O-N 3.21Å; V744-L756 HydrophobicContact CG1-CD1 4.1Å; A747-L756 HydrophobicContact CB-CD1 4.08Å; M748-L756 HydrophobicContact CB-CD1 4.43Å; M748-L756 HydrophobicContact CG-CB 4.47Å; M748-L756 HydrophobicContact CG-CD1 3.28Å; M748-L756 HydrophobicContact CG-CG 3.69Å; M748-L756 HydrophobicContact SD-CD1 4.24Å; M748-L756 HydrophobicContact SD-CG 4.48Å; L756-Y758 HydrophobicContact CB-CD2 4.47Å; L756-Y758 HydrophobicContact CB-CE2 4Å
757	V	85.7	Confident	79.5	Confident	34 Å²	34	62.3 Å²	62.3	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.5	173.8	-176.6	0	0	0	0	109.7	R410 F755	R410-V757 HydrophobicContact CB-CB 4.29Å; R410-V757 VanDerWaalsContact CB-O 3.22Å; R410-V757 WeakPolarHBondContact CB-O 3.28Å; R410-V757 PolarHBondContact N-O 3.43Å; F755-V757 HydrophobicContact CD2-CG2 4.32Å; F755-V757 HydrophobicContact CE2-CG2 4.37Å
758	Y	86.9	Confident	79.5	Confident	8 Å²	8	61.2 Å²	61.2	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.8	172.9	-78	-93.9	0	0	0	110.4	L378 P409 V714 V716 V744 L756	L378-Y758 HydrophobicContact CD1-CD1 3.66Å; L378-Y758 HydrophobicContact CD1-CD2 4.34Å; L378-Y758 HydrophobicContact CD1-CE1 4.23Å; L378-Y758 HydrophobicContact CD1-CG 3.73Å; L378-Y758 HydrophobicContact CD2-CD2 3.96Å; L378-Y758 HydrophobicContact CD2-CG 3.95Å; P409-Y758 HydrophobicContact CB-CD1 4.16Å; P409-Y758 HydrophobicContact CB-CE1 3.74Å; P409-Y758 HydrophobicContact CG-CE1 4.41Å; V714-Y758 PolarHBondContact N-O 3.02Å; V714-Y758 PolarHBondContact O-N 2.98Å; V716-Y758 HydrophobicContact CG2-CD2 4.02Å; V716-Y758 HydrophobicContact CG2-CE2 4.41Å; V744-Y758 HydrophobicContact CG1-CE2 4.25Å; L756-Y758 HydrophobicContact CB-CD2 4.47Å; L756-Y758 HydrophobicContact CB-CE2 4Å
759	L	85.9	Confident	79.2	Confident	48 Å²	48	62.2 Å²	62.2	25%	0.251	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.8	175.8	-154.9	89.1	0	0	0	109.2	W407 K408 V711 D713	W407-L759 WeakPolarHBondContact CA-O 3.44Å; K408-L759 PolarHBondContact N-O 3.28Å; K408-L759 PolarHBondContact O-N 3.45Å; V711-L759 HydrophobicContact CG1-CD1 3.58Å; V711-L759 HydrophobicContact CG1-CD2 4.12Å; V711-L759 HydrophobicContact CG1-CG 3.73Å; D713-L759 WeakPolarHBondContact OD1-CD1 3.21Å
760	G	86.4	Confident	79.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.4	169.6	0	0	0	0	0	109.6	W407 V711 F712	W407-G760 VanDerWaalsContact CE3-CA 3.44Å; V711-G760 CarbonylContact C-O 3.17Å; V711-G760 WeakPolarHBondContact CA-O 3.18Å; F712-G760 PolarHBondContact N-O 3.07Å; F712-G760 PolarHBondContact O-N 2.85Å
761	R	83.3	Confident	79.4	Confident	78 Å²	78	52.3 Å²	52.3	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.8	179.7	-168.9	175.4	178.3	142.7	6.5	112	K406 E705	K406-R761 PolarHBondContact N-O 2.77Å; K406-R761 PolarHBondContact O-N 3.47Å; E705-R761 PolarHBondContact O-NH1 2.67Å; E705-R761 PolarHBondContact O-NH2 3.35Å
762	R	83.8	Confident	80	Confident	21 Å²	21	54 Å²	54	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.6	166.6	71.2	-178.5	-175.3	87.8	-8.5	111.9	E401 L405 G709 I710 D768	E401-R762 VanDerWaalsContact O-CD 3.28Å; E401-R762 WeakPolarHBondContact O-CD 3.31Å; E401-R762 PolarHBondContact O-NE 2.93Å; L405-R762 HydrophobicContact CD2-CB 3.98Å; L405-R762 HydrophobicContact CD2-CG 3.74Å; G709-R762 VanDerWaalsContact CA-O 3.27Å; G709-R762 WeakPolarHBondContact CA-O 3.17Å; I710-R762 HydrophobicContact CB-CG 4.36Å; I710-R762 PolarHBondContact N-O 3.28Å; I710-R762 PolarHBondContact O-N 3.41Å; R762-D768 IonicContact CZ-OD1 2.86Å; R762-D768 IonicContact CZ-OD2 3.17Å; R762-D768 IonicContact NH1-OD1 3.36Å; R762-D768 PolarHBondContact NH1-OD1 3.15Å; R762-D768 IonicContact NH1-OD2 3.42Å; R762-D768 PolarHBondContact NH1-OD2 2.84Å; R762-D768 IonicContact NH2-OD1 3.43Å; R762-D768 PolarHBondContact NH2-OD1 3.47Å; R762-D768 IonicContact NH2-OD2 3.26Å
763	S	75.1	Confident	80.3	Confident	86 Å²	86	53.6 Å²	53.6	60%	0.601	27%	0.271	S	S	*	.			trans	-69.1	148.7	167.5	53	0	0	0	0	109.8
764	R	74.8	Confident	80.7	Confident	71 Å²	71	49.2 Å²	49.2	27%	0.268	25%	0.25	S	S	.	.			trans	-66.9	143.6	171.2	-64.2	-178.4	-177.1	98.5	3.2	109.1	E707 G709 I710	E707-R764 PolarHBondContact O-NH1 3.45Å; G709-R764 PolarHBondContact O-NH2 2.97Å; G709-R764 VanDerWaalsContact O-NH2 3.07Å; I710-R764 HydrophobicContact CD1-CG 4.41Å; I710-R764 HydrophobicContact CG1-CG 4.1Å
765	T	75	Confident	81	Confident	58 Å²	58	50.7 Å²	50.7	36%	0.356	25%	0.25	S	C	.	.			trans	-114.1	164.8	179.8	63.4	0	0	0	0	109.9	S767 D768 L769	T765-S767 PolarHBondContact O-N 3.38Å; T765-S767 PolarHBondContact OG1-OG 3.12Å; T765-D768 PolarHBondContact N-OD2 3.15Å; T765-D768 WeakPolarHBondContact O-CB 3.37Å; T765-D768 PolarHBondContact O-N 3.35Å; T765-D768 PolarHBondContact OG1-OD2 3.33Å; T765-L769 PolarHBondContact O-N 3.04Å
766	K	73.3	Confident	81.4	Confident	101 Å²	101	55.5 Å²	55.5	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-51.9	-43.7	174.9	179.1	-177.5	176.2	177.3	0	111.7	E324 D768 L769 S770	E324-K766 WeakPolarHBondContact OE1-CE 3.26Å; E324-K766 IonicContact OE1-NZ 2.87Å; E324-K766 PolarHBondContact OE1-NZ 2.75Å; K766-D768 VanDerWaalsContact C-N 3.26Å; K766-D768 PolarHBondContact O-N 3.23Å; K766-L769 PolarHBondContact O-N 3.29Å; K766-S770 PolarHBondContact O-N 3.49Å; K766-S770 PolarHBondContact O-OG 3.19Å
767	S	77.4	Confident	81.7	Confident	40 Å²	40	57.2 Å²	57.2	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-32.7	-178.5	49.4	0	0	0	0	112.4	T765 L769 S770 M771	T765-S767 PolarHBondContact O-N 3.38Å; T765-S767 PolarHBondContact OG1-OG 3.12Å; S767-L769 VanDerWaalsContact C-N 3.32Å; S767-L769 PolarHBondContact O-N 2.94Å; S767-S770 PolarHBondContact O-N 3.28Å; S767-M771 VanDerWaalsContact O-CB 3.28Å; S767-M771 WeakPolarHBondContact O-CB 3.31Å; S767-M771 WeakPolarHBondContact O-CG 3.3Å; S767-M771 PolarHBondContact O-N 3.24Å
768	D	78.3	Confident	82	Confident	15 Å²	15	56 Å²	56	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-36.9	177.1	-53.8	-45.2	0	0	0	111.6	R762 T765 K766 K772	R762-D768 IonicContact CZ-OD1 2.86Å; R762-D768 IonicContact CZ-OD2 3.17Å; R762-D768 IonicContact NH1-OD1 3.36Å; R762-D768 PolarHBondContact NH1-OD1 3.15Å; R762-D768 IonicContact NH1-OD2 3.42Å; R762-D768 PolarHBondContact NH1-OD2 2.84Å; R762-D768 IonicContact NH2-OD1 3.43Å; R762-D768 PolarHBondContact NH2-OD1 3.47Å; R762-D768 IonicContact NH2-OD2 3.26Å; T765-D768 PolarHBondContact N-OD2 3.15Å; T765-D768 WeakPolarHBondContact O-CB 3.37Å; T765-D768 PolarHBondContact O-N 3.35Å; T765-D768 PolarHBondContact OG1-OD2 3.33Å; K766-D768 VanDerWaalsContact C-N 3.26Å; K766-D768 PolarHBondContact O-N 3.23Å; D768-K772 WeakPolarHBondContact O-CG 3.39Å; D768-K772 PolarHBondContact O-N 3.41Å
769	L	75.4	Confident	82.2	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-69.9	-47	175.7	-73.1	154.6	0	0	0	110.6	F689 T765 K766 S767 M771 K772 M773	F689-L769 HydrophobicContact CD1-CD2 4.06Å; F689-L769 HydrophobicContact CE1-CB 4.04Å; F689-L769 HydrophobicContact CE1-CD2 3.7Å; F689-L769 WeakPolarHBondContact CE1-O 3.27Å; F689-L769 WeakPolarHBondContact CZ-O 3.39Å; T765-L769 PolarHBondContact O-N 3.04Å; K766-L769 PolarHBondContact O-N 3.29Å; S767-L769 VanDerWaalsContact C-N 3.32Å; S767-L769 PolarHBondContact O-N 2.94Å; L769-M771 PolarHBondContact O-N 3.41Å; L769-K772 PolarHBondContact O-N 2.89Å; L769-M773 PolarHBondContact O-N 3.43Å
770	S	80.4	Confident	82.5	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-37.1	178	-61.4	0	0	0	0	112.7	K766 S767 K772 M773 Y774	K766-S770 PolarHBondContact O-N 3.49Å; K766-S770 PolarHBondContact O-OG 3.19Å; S767-S770 PolarHBondContact O-N 3.28Å; S770-K772 VanDerWaalsContact C-N 3.25Å; S770-K772 PolarHBondContact O-N 2.94Å; S770-M773 PolarHBondContact O-N 2.88Å; S770-Y774 VanDerWaalsContact O-CD2 3.26Å; S770-Y774 WeakPolarHBondContact O-CD2 3.26Å; S770-Y774 PolarHBondContact O-N 3.5Å; S770-Y774 VanDerWaalsContact O-N 3.09Å
771	M	82.8	Confident	82.8	Confident	47 Å²	47	66.3 Å²	66.3	23%	0.232	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-35.8	174.2	-79.4	179.6	70.2	0	0	111.8	F328 L332 E401 S767 L769 E775 I778	F328-M771 HydrophobicContact CZ-CB 4.46Å; F328-M771 HydrophobicContact CZ-CG 3.77Å; L332-M771 HydrophobicContact CD1-SD 4.49Å; E401-M771 WeakPolarHBondContact OE1-CE 3.48Å; S767-M771 VanDerWaalsContact O-CB 3.28Å; S767-M771 WeakPolarHBondContact O-CB 3.31Å; S767-M771 WeakPolarHBondContact O-CG 3.3Å; S767-M771 PolarHBondContact O-N 3.24Å; L769-M771 PolarHBondContact O-N 3.41Å; M771-E775 WeakPolarHBondContact O-CA 3.36Å; M771-E775 PolarHBondContact O-N 3.38Å; M771-I778 HydrophobicContact CB-CD1 4.22Å; M771-I778 HydrophobicContact CG-CD1 4.34Å; M771-I778 WeakPolarHBondContact O-CD1 3.25Å
772	K	81.3	Confident	83.3	Confident	88 Å²	88	64.4 Å²	64.4	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-77	-32.5	175.5	-69.6	-174.9	-175.1	-151.9	0	113.2	F689 Y693 D768 L769 S770 Y774	F689-K772 HydrophobicContact CZ-CB 4.23Å; Y693-K772 HydrophobicContact CD2-CD 4.47Å; Y693-K772 HydrophobicContact CE2-CD 3.77Å; Y693-K772 PolarHBondContact OH-NZ 3.02Å; D768-K772 WeakPolarHBondContact O-CG 3.39Å; D768-K772 PolarHBondContact O-N 3.41Å; L769-K772 PolarHBondContact O-N 2.89Å; S770-K772 VanDerWaalsContact C-N 3.25Å; S770-K772 PolarHBondContact O-N 2.94Å; K772-Y774 VanDerWaalsContact C-N 3.32Å
773	M	80.2	Confident	83.6	Confident	61 Å²	61	65.6 Å²	65.6	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-37.5	178.8	-166.3	167.2	82.6	0	0	111.7	F689 L769 S770	F689-M773 HydrophobicContact CD2-CB 4.34Å; F689-M773 HydrophobicContact CD2-CG 3.98Å; F689-M773 HydrophobicContact CD2-SD 4.13Å; F689-M773 HydrophobicContact CE1-CB 4.43Å; F689-M773 HydrophobicContact CE2-CB 3.67Å; F689-M773 HydrophobicContact CE2-CG 3.74Å; F689-M773 HydrophobicContact CE2-SD 4.38Å; F689-M773 HydrophobicContact CG-SD 4.36Å; F689-M773 HydrophobicContact CZ-CB 3.72Å; F689-M773 HydrophobicContact CZ-CG 4.27Å; L769-M773 PolarHBondContact O-N 3.43Å; S770-M773 PolarHBondContact O-N 2.88Å
774	Y	85.3	Confident	84.4	Confident	27 Å²	27	64.7 Å²	64.7	11%	0.106	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	22.8	-178.8	-55.7	-63.1	0	0	0	113.2	K325 F328 S770 K772 E776 E777 I778 W781	K325-Y774 HydrophobicContact CB-CE1 4.09Å; K325-Y774 HydrophobicContact CD-CD1 4.44Å; K325-Y774 HydrophobicContact CD-CE1 3.95Å; K325-Y774 HydrophobicContact CG-CD1 4.27Å; K325-Y774 HydrophobicContact CG-CE1 3.76Å; F328-Y774 HydrophobicContact CB-CE2 4.47Å; F328-Y774 AromaticContact CD1-CD2 3.52Å; F328-Y774 HydrophobicContact CD1-CD2 3.52Å; F328-Y774 AromaticContact CD1-CE2 3.95Å; F328-Y774 HydrophobicContact CD1-CE2 3.95Å; F328-Y774 AromaticContact CE1-CD2 3.84Å; F328-Y774 HydrophobicContact CE1-CD2 3.84Å; F328-Y774 HydrophobicContact CG-CD2 4.35Å; F328-Y774 HydrophobicContact CG-CE2 4.37Å; S770-Y774 VanDerWaalsContact O-CD2 3.26Å; S770-Y774 WeakPolarHBondContact O-CD2 3.26Å; S770-Y774 PolarHBondContact O-N 3.5Å; S770-Y774 VanDerWaalsContact O-N 3.09Å; K772-Y774 VanDerWaalsContact C-N 3.32Å; Y774-E776 VanDerWaalsContact C-N 3.26Å; Y774-E776 PolarHBondContact O-N 3.04Å; Y774-E777 PolarHBondContact O-N 3.31Å; Y774-E777 VanDerWaalsContact O-N 3.07Å; Y774-I778 VanDerWaalsContact O-CG1 3.23Å; Y774-I778 WeakPolarHBondContact O-CG1 3.39Å; Y774-I778 PolarHBondContact O-N 3Å; Y774-I778 VanDerWaalsContact O-N 3.08Å; Y774-W781 HydrophobicContact CD1-CH2 4.38Å; Y774-W781 HydrophobicContact CD2-CH2 4.21Å; Y774-W781 AromaticContact CG-CH2 3.85Å; Y774-W781 HydrophobicContact CG-CH2 3.85Å
775	E	85.5	Confident	85.1	Confident	134 Å²	134	62.7 Å²	62.7	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-55.9	-39.3	-172	-174.9	169.6	-170.6	0	0	113	M771 E777	M771-E775 WeakPolarHBondContact O-CA 3.36Å; M771-E775 PolarHBondContact O-N 3.38Å; E775-E777 VanDerWaalsContact C-N 3.31Å; E775-E777 PolarHBondContact O-N 3.41Å
776	E	87.9	Confident	85.6	Confident	192 Å²	192	62.4 Å²	62.4	90%	0.897	31%	0.307	S	S	*	.	H	α-helix	trans	-66.7	-30.2	-179.2	-62.4	-178.7	179.2	0	0	112.7	Y774	Y774-E776 VanDerWaalsContact C-N 3.26Å; Y774-E776 PolarHBondContact O-N 3.04Å
777	E	91.4	Very high	86.3	Confident	62 Å²	62	65.2 Å²	65.2	29%	0.29	31%	0.314	S	S	.	.	H	α-helix	trans	-97	-21.8	-175.9	-60.2	-174.9	-150.1	0	0	113.6	K325 Y774 E775 Q779 E780 W781	K325-E777 WeakPolarHBondContact CE-OE2 3.39Å; K325-E777 IonicContact NZ-OE1 3.35Å; K325-E777 PolarHBondContact NZ-OE1 3.19Å; K325-E777 IonicContact NZ-OE2 2.98Å; K325-E777 PolarHBondContact NZ-OE2 3.23Å; Y774-E777 PolarHBondContact O-N 3.31Å; Y774-E777 VanDerWaalsContact O-N 3.07Å; E775-E777 VanDerWaalsContact C-N 3.31Å; E775-E777 PolarHBondContact O-N 3.41Å; E777-Q779 PolarHBondContact O-N 2.9Å; E777-E780 WeakPolarHBondContact O-CB 3.31Å; E777-E780 PolarHBondContact O-N 2.94Å; E777-W781 HydrophobicContact CB-CZ2 3.86Å; E777-W781 PolarHBondContact O-N 3.37Å; E777-W781 VanDerWaalsContact O-N 3.1Å; E777-W781 WeakPolarHBondContact OE2-CZ2 3.35Å
778	I	91.8	Very high	86.6	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-35.4	-175.2	-79.1	164.8	0	0	0	112.3	F328 L332 M771 Y774 E780 W781 Y782	F328-I778 HydrophobicContact CE1-CD1 4.38Å; L332-I778 HydrophobicContact CD2-CD1 4.32Å; L332-I778 HydrophobicContact CD2-CG1 4.02Å; L332-I778 HydrophobicContact CD2-CG2 4.05Å; M771-I778 HydrophobicContact CB-CD1 4.22Å; M771-I778 HydrophobicContact CG-CD1 4.34Å; M771-I778 WeakPolarHBondContact O-CD1 3.25Å; Y774-I778 VanDerWaalsContact O-CG1 3.23Å; Y774-I778 WeakPolarHBondContact O-CG1 3.39Å; Y774-I778 PolarHBondContact O-N 3Å; Y774-I778 VanDerWaalsContact O-N 3.08Å; I778-E780 VanDerWaalsContact C-N 3.33Å; I778-W781 HydrophobicContact CB-CE3 4.44Å; I778-W781 HydrophobicContact CG1-CE3 3.78Å; I778-W781 HydrophobicContact CG1-CZ3 3.69Å; I778-W781 PolarHBondContact O-N 3.35Å; I778-Y782 HydrophobicContact CG2-CD2 3.76Å; I778-Y782 HydrophobicContact CG2-CE1 4.39Å; I778-Y782 HydrophobicContact CG2-CE2 3.19Å; I778-Y782 VanDerWaalsContact O-CD2 3.26Å; I778-Y782 WeakPolarHBondContact O-CD2 3.48Å; I778-Y782 VanDerWaalsContact O-CG 3.29Å; I778-Y782 PolarHBondContact O-N 3.36Å
779	Q	90.4	Very high	86.6	Confident	136 Å²	136	68.6 Å²	68.6	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-66.4	-37.6	178.3	-63.3	-58.4	-24.8	0	0	111.9	E777 Y782 A783	E777-Q779 PolarHBondContact O-N 2.9Å; Q779-Y782 PolarHBondContact O-N 3.31Å; Q779-A783 PolarHBondContact O-N 3.07Å
780	E	92.5	Very high	86.2	Confident	125 Å²	125	72.5 Å²	72.5	58%	0.584	35%	0.35	S	S	*	.	H	α-helix	trans	-65.3	-44.8	175.5	-173.7	176.5	-171	0	0	110.9	E777 I778 Y782 A783 E784	E777-E780 WeakPolarHBondContact O-CB 3.31Å; E777-E780 PolarHBondContact O-N 2.94Å; I778-E780 VanDerWaalsContact C-N 3.33Å; E780-Y782 VanDerWaalsContact C-N 3.26Å; E780-Y782 PolarHBondContact O-N 3.22Å; E780-A783 PolarHBondContact O-N 2.97Å; E780-A783 VanDerWaalsContact O-N 3.09Å; E780-E784 WeakPolarHBondContact O-CB 3.19Å; E780-E784 PolarHBondContact O-N 3.03Å
781	W	94	Very high	85.1	Confident	11 Å²	11	75.1 Å²	75.1	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-36.8	176.7	-58.3	-14.5	0	0	0	112.5	K325 F328 K329 L332 Y774 E777 I778 Y785	K325-W781 HydrophobicContact CG-CH2 4.4Å; K325-W781 HydrophobicContact CG-CZ2 4.24Å; F328-W781 HydrophobicContact CD1-CH2 4.28Å; F328-W781 AromaticContact CD1-CZ3 3.92Å; F328-W781 HydrophobicContact CD1-CZ3 3.92Å; F328-W781 HydrophobicContact CE1-CZ3 4.12Å; K329-W781 HydrophobicContact CB-CD2 4.06Å; K329-W781 HydrophobicContact CB-CE3 3.92Å; K329-W781 HydrophobicContact CB-CH2 4.29Å; K329-W781 HydrophobicContact CB-CZ2 4.43Å; K329-W781 HydrophobicContact CB-CZ3 4.04Å; K329-W781 HydrophobicContact CD-CB 4.46Å; K329-W781 HydrophobicContact CD-CD2 3.96Å; K329-W781 HydrophobicContact CD-CG 3.84Å; K329-W781 HydrophobicContact CG-CB 4.28Å; K329-W781 HydrophobicContact CG-CD2 3.71Å; K329-W781 HydrophobicContact CG-CE3 3.92Å; K329-W781 HydrophobicContact CG-CG 3.88Å; L332-W781 HydrophobicContact CD2-CE3 4.37Å; Y774-W781 HydrophobicContact CD1-CH2 4.38Å; Y774-W781 HydrophobicContact CD2-CH2 4.21Å; Y774-W781 AromaticContact CG-CH2 3.85Å; Y774-W781 HydrophobicContact CG-CH2 3.85Å; E777-W781 HydrophobicContact CB-CZ2 3.86Å; E777-W781 PolarHBondContact O-N 3.37Å; E777-W781 VanDerWaalsContact O-N 3.1Å; E777-W781 WeakPolarHBondContact OE2-CZ2 3.35Å; I778-W781 HydrophobicContact CB-CE3 4.44Å; I778-W781 HydrophobicContact CG1-CE3 3.78Å; I778-W781 HydrophobicContact CG1-CZ3 3.69Å; I778-W781 PolarHBondContact O-N 3.35Å; W781-Y785 WeakPolarHBondContact O-CB 3.44Å; W781-Y785 PolarHBondContact O-N 2.67Å
782	Y	92.1	Very high	83.9	Confident	38 Å²	38	76.9 Å²	76.9	15%	0.149	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-39.7	174.8	-66.3	-34.5	0	0	0	112.5	L332 L333 R336 I778 Q779 E780 E784 Y785 S786	L332-Y782 HydrophobicContact CD2-CE1 3.94Å; L332-Y782 WeakPolarHBondContact CD2-OH 3.34Å; L332-Y782 HydrophobicContact CG-CE1 4.04Å; L333-Y782 HydrophobicContact CD2-CD1 3.92Å; L333-Y782 HydrophobicContact CD2-CE1 4.28Å; R336-Y782 VanDerWaalsContact NH1-CE2 3.34Å; I778-Y782 HydrophobicContact CG2-CD2 3.76Å; I778-Y782 HydrophobicContact CG2-CE1 4.39Å; I778-Y782 HydrophobicContact CG2-CE2 3.19Å; I778-Y782 VanDerWaalsContact O-CD2 3.26Å; I778-Y782 WeakPolarHBondContact O-CD2 3.48Å; I778-Y782 VanDerWaalsContact O-CG 3.29Å; I778-Y782 PolarHBondContact O-N 3.36Å; Q779-Y782 PolarHBondContact O-N 3.31Å; E780-Y782 VanDerWaalsContact C-N 3.26Å; E780-Y782 PolarHBondContact O-N 3.22Å; Y782-E784 VanDerWaalsContact C-N 3.34Å; Y782-Y785 PolarHBondContact O-N 3.23Å; Y782-S786 PolarHBondContact O-N 3.21Å; Y782-S786 PolarHBondContact O-OG 3.39Å
783	A	90.2	Very high	82.5	Confident	47 Å²	47	78.1 Å²	78.1	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-34.1	176.9	0	0	0	0	0	112.6	Q779 E780 R787	Q779-A783 PolarHBondContact O-N 3.07Å; E780-A783 PolarHBondContact O-N 2.97Å; E780-A783 VanDerWaalsContact O-N 3.09Å; A783-R787 WeakPolarHBondContact O-CG 3.03Å; A783-R787 PolarHBondContact O-N 3.17Å; A783-R787 PolarHBondContact O-NE 3.47Å; A783-R787 VanDerWaalsContact O-NE 3.1Å
784	E	91.4	Very high	80.7	Confident	66 Å²	66	80.1 Å²	80.1	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-50.5	171.8	-171.3	-175.3	-178.5	0	0	111.2	K329 E780 Y782 S786 R787 E788	K329-E784 WeakPolarHBondContact CE-OE2 3.42Å; K329-E784 IonicContact NZ-OE1 3.5Å; K329-E784 PolarHBondContact NZ-OE1 3.07Å; K329-E784 IonicContact NZ-OE2 2.74Å; K329-E784 PolarHBondContact NZ-OE2 3.44Å; E780-E784 WeakPolarHBondContact O-CB 3.19Å; E780-E784 PolarHBondContact O-N 3.03Å; Y782-E784 VanDerWaalsContact C-N 3.34Å; E784-S786 VanDerWaalsContact C-N 3.33Å; E784-S786 PolarHBondContact O-N 3.17Å; E784-R787 WeakPolarHBondContact O-CB 3.44Å; E784-R787 PolarHBondContact O-N 3Å; E784-E788 PolarHBondContact O-N 3.17Å; E784-E788 VanDerWaalsContact O-N 3.08Å
785	Y	89.4	Confident	78.9	Confident	29 Å²	29	84.6 Å²	84.6	11%	0.114	42%	0.417	C	S	.	.	H	α-helix	trans	-57.4	-43.5	176.8	173.1	-99.4	0	0	0	112.8	L333 S337 D340 W781 Y782 R787 E788 C789	L333-Y785 HydrophobicContact CB-CD2 4.34Å; L333-Y785 HydrophobicContact CD1-CD2 4.48Å; L333-Y785 HydrophobicContact CD2-CD2 4.27Å; L333-Y785 HydrophobicContact CD2-CG 3.96Å; S337-Y785 VanDerWaalsContact CA-OH 3.29Å; S337-Y785 WeakPolarHBondContact CA-OH 3.49Å; S337-Y785 WeakPolarHBondContact CB-OH 3.48Å; S337-Y785 PolarHBondContact OG-OH 3.32Å; D340-Y785 PolarHBondContact OD2-OH 3.06Å; W781-Y785 WeakPolarHBondContact O-CB 3.44Å; W781-Y785 PolarHBondContact O-N 2.67Å; Y782-Y785 PolarHBondContact O-N 3.23Å; Y785-R787 VanDerWaalsContact C-N 3.27Å; Y785-R787 PolarHBondContact O-N 3.47Å; Y785-E788 PolarHBondContact O-N 3.49Å; Y785-C789 VanDerWaalsContact CZ-SG 3.58Å; Y785-C789 PolarHBondContact O-N 3.13Å
786	S	87	Confident	76.8	Confident	53 Å²	53	83.2 Å²	83.2	37%	0.371	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-32.4	176.8	-68.4	0	0	0	0	112.8	Y782 E784 L790	Y782-S786 PolarHBondContact O-N 3.21Å; Y782-S786 PolarHBondContact O-OG 3.39Å; E784-S786 VanDerWaalsContact C-N 3.33Å; E784-S786 PolarHBondContact O-N 3.17Å; S786-L790 WeakPolarHBondContact O-CD1 3.31Å; S786-L790 VanDerWaalsContact O-CG 3.27Å; S786-L790 WeakPolarHBondContact O-CG 3.41Å; S786-L790 PolarHBondContact O-N 3.25Å
787	R	87.8	Confident	74.5	Confident	159 Å²	159	79.2 Å²	79.2	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-69	-44.3	174.9	-78.4	178.2	-81.2	157.9	-6.6	111.7	A783 E784 Y785 C789 L790 S791	A783-R787 WeakPolarHBondContact O-CG 3.03Å; A783-R787 PolarHBondContact O-N 3.17Å; A783-R787 PolarHBondContact O-NE 3.47Å; A783-R787 VanDerWaalsContact O-NE 3.1Å; E784-R787 WeakPolarHBondContact O-CB 3.44Å; E784-R787 PolarHBondContact O-N 3Å; Y785-R787 VanDerWaalsContact C-N 3.27Å; Y785-R787 PolarHBondContact O-N 3.47Å; R787-C789 PolarHBondContact O-N 2.89Å; R787-L790 PolarHBondContact O-N 2.96Å; R787-S791 PolarHBondContact O-N 3.06Å; R787-S791 VanDerWaalsContact O-N 3.12Å; R787-S791 PolarHBondContact O-OG 3.46Å
788	E	84.2	Confident	72	Confident	82 Å²	82	81.2 Å²	81.2	38%	0.383	41%	0.411	S	S	.	.	H	α-helix	trans	-61.6	-41.6	177.7	-70.9	-178.9	169.2	0	0	112.6	E784 Y785 S791 Q792	E784-E788 PolarHBondContact O-N 3.17Å; E784-E788 VanDerWaalsContact O-N 3.08Å; Y785-E788 PolarHBondContact O-N 3.49Å; E788-S791 WeakPolarHBondContact CA-OG 3.43Å; E788-S791 PolarHBondContact O-N 3.24Å; E788-S791 PolarHBondContact O-OG 2.69Å; E788-Q792 PolarHBondContact O-N 3.09Å
789	C	76.8	Confident	69.5	Low	44 Å²	44	86.9 Å²	86.9	30%	0.297	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-39.7	176.8	-75.9	0	0	0	0	112.6	Y785 R787 Q792 E793	Y785-C789 VanDerWaalsContact CZ-SG 3.58Å; Y785-C789 PolarHBondContact O-N 3.13Å; R787-C789 PolarHBondContact O-N 2.89Å; C789-Q792 PolarHBondContact O-N 2.86Å; C789-E793 PolarHBondContact O-N 3.32Å
790	L	67.5	Low	66.9	Low	104 Å²	104	86.8 Å²	86.8	55%	0.545	44%	0.444	S	S	.	.	H	α-helix	trans	-65.4	-41.6	178.5	-73.5	166	0	0	0	111.8	S786 R787 Q792 E793 D794	S786-L790 WeakPolarHBondContact O-CD1 3.31Å; S786-L790 VanDerWaalsContact O-CG 3.27Å; S786-L790 WeakPolarHBondContact O-CG 3.41Å; S786-L790 PolarHBondContact O-N 3.25Å; R787-L790 PolarHBondContact O-N 2.96Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 3.38Å; L790-E793 PolarHBondContact O-N 3.3Å; L790-D794 PolarHBondContact O-N 3Å; L790-D794 VanDerWaalsContact O-N 3.17Å
791	S	58.2	Low	64.2	Low	63 Å²	63	88.2 Å²	88.2	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-33.5	176	42.8	0	0	0	0	113.4	R787 E788 E795	R787-S791 PolarHBondContact O-N 3.06Å; R787-S791 VanDerWaalsContact O-N 3.12Å; R787-S791 PolarHBondContact O-OG 3.46Å; E788-S791 WeakPolarHBondContact CA-OG 3.43Å; E788-S791 PolarHBondContact O-N 3.24Å; E788-S791 PolarHBondContact O-OG 2.69Å; S791-E795 PolarHBondContact O-N 3.44Å
792	Q	57.4	Low	61.3	Low	85 Å²	85	95 Å²	95	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-74.8	-30.4	177.2	-77.5	-177.8	-19.3	0	0	113.4	E788 C789 L790 N796	E788-Q792 PolarHBondContact O-N 3.09Å; C789-Q792 PolarHBondContact O-N 2.86Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 3.38Å; Q792-N796 PolarHBondContact O-N 3.33Å; Q792-N796 PolarHBondContact O-ND2 3.34Å
793	E	51.4	Low	58.3	Low	114 Å²	114	96.8 Å²	96.8	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-69.4	-39.1	173.3	-75.3	-177.4	166.1	0	0	111	C789 L790 N796 L797	C789-E793 PolarHBondContact O-N 3.32Å; L790-E793 PolarHBondContact O-N 3.3Å; E793-N796 PolarHBondContact O-N 3.41Å; E793-L797 WeakPolarHBondContact O-CB 3.31Å; E793-L797 WeakPolarHBondContact O-CD1 3.48Å; E793-L797 PolarHBondContact O-N 2.96Å
794	D	42.7	Very low	55.7	Low	102 Å²	102	101 Å²	101	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-36.5	177.2	-75.5	-23.7	0	0	0	113	L790 N798	L790-D794 PolarHBondContact O-N 3Å; L790-D794 VanDerWaalsContact O-N 3.17Å; D794-N798 PolarHBondContact O-N 3.5Å; D794-N798 PolarHBondContact O-ND2 2.68Å
795	E	47	Very low	52.8	Low	121 Å²	121	103.8 Å²	103.8	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-66.8	-40.6	173.4	-84.1	-178.8	158.2	0	0	112.7	S791 N798 L799	S791-E795 PolarHBondContact O-N 3.44Å; E795-N798 PolarHBondContact O-N 3.38Å; E795-L799 PolarHBondContact O-N 3.17Å
796	N	41.8	Very low	50	Low	106 Å²	106	107.6 Å²	107.6	57%	0.567	58%	0.582	S	S	*	*	H	α-helix	trans	-69.6	-33.6	177.6	-75	-53	0	0	0	112.4	Q792 E793 L799 D800	Q792-N796 PolarHBondContact O-N 3.33Å; Q792-N796 PolarHBondContact O-ND2 3.34Å; E793-N796 PolarHBondContact O-N 3.41Å; N796-L799 PolarHBondContact O-N 3.41Å; N796-D800 PolarHBondContact O-N 2.99Å
797	L	39.7	Very low	47.1	Very low	107 Å²	107	113 Å²	113	56%	0.56	61%	0.607	S	S	*	*	H	α-helix	trans	-68.3	-33.4	174.7	-88.4	155.1	0	0	0	113	E793	E793-L797 WeakPolarHBondContact O-CB 3.31Å; E793-L797 WeakPolarHBondContact O-CD1 3.48Å; E793-L797 PolarHBondContact O-N 2.96Å
798	N	38.3	Very low	44.4	Very low	104 Å²	104	113.8 Å²	113.8	56%	0.556	62%	0.622	S	S	*	*	H	α-helix	trans	-74.6	-30.8	176.4	-72.7	-36.3	0	0	0	112.5	D794 E795	D794-N798 PolarHBondContact O-N 3.5Å; D794-N798 PolarHBondContact O-ND2 2.68Å; E795-N798 PolarHBondContact O-N 3.38Å
799	L	40.8	Very low	41.7	Very low	129 Å²	129	113.9 Å²	113.9	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-70.7	-30	174.3	-90.3	149.2	0	0	0	113.5	E795 N796	E795-L799 PolarHBondContact O-N 3.17Å; N796-L799 PolarHBondContact O-N 3.41Å
800	D	35.1	Very low	39.8	Very low	133 Å²	133	117.2 Å²	117.2	71%	0.711	66%	0.658	S	S	*	*	H	α-helix	trans	-79.5	-16.3	177.1	-88.6	-19.6	0	0	0	113.6	N796 S803	N796-D800 PolarHBondContact O-N 2.99Å; D800-S803 PolarHBondContact O-OG 3.4Å
801	Q	35	Very low	37.9	Very low	156 Å²	156	119.8 Å²	119.8	73%	0.729	67%	0.67	S	S	*	*	H	α-helix	trans	-79.8	-19.1	173.8	-85.1	-175.3	-6.9	0	0	114	S803	Q801-S803 VanDerWaalsContact C-N 3.33Å; Q801-S803 PolarHBondContact O-N 2.98Å
802	D	33.2	Very low	36.4	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	69%	0.69	S	S	*	*			trans	-94.8	43.4	179	-84	-21.3	0	0	0	112.9
803	S	28.9	Very low	34.9	Very low	76 Å²	76	130.3 Å²	130.3	53%	0.531	71%	0.713	S	S	.	*	S	Bend	trans	-101.7	132.4	164.1	53.4	0	0	0	0	109.9	D800 Q801 V805	D800-S803 PolarHBondContact O-OG 3.4Å; Q801-S803 VanDerWaalsContact C-N 3.33Å; Q801-S803 PolarHBondContact O-N 2.98Å; S803-V805 PolarHBondContact O-N 3.33Å
804	P	35.9	Very low	33.7	Very low	135 Å²	135	133.1 Å²	133.1	88%	0.877	73%	0.726	S	S	*	*			trans	-77.2	101.2	-162.2	30.6	-33.4	0	0	0	110.9
805	V	30.8	Very low	33	Very low	125 Å²	125	136.2 Å²	136.2	76%	0.758	74%	0.737	S	S	*	*			trans	-77.2	125	162.8	178.8	0	0	0	0	108.3	S803 N807	S803-V805 PolarHBondContact O-N 3.33Å; V805-N807 PolarHBondContact O-N 3.31Å
806	S	29.8	Very low	32.2	Very low	109 Å²	109	139 Å²	139	76%	0.762	76%	0.755	S	S	*	*			trans	-44.5	118.4	179.6	48.7	0	0	0	0	114.1	L808	S806-L808 PolarHBondContact O-N 3.38Å
807	N	27.8	Very low	31.5	Very low	167 Å²	167	141.2 Å²	141.2	89%	0.893	77%	0.766	S	S	*	*			trans	-62	118.8	172.2	-80.1	-35.4	0	0	0	112.2	V805	V805-N807 PolarHBondContact O-N 3.31Å
808	L	29.3	Very low	31	Very low	174 Å²	174	142 Å²	142	91%	0.911	78%	0.78	S	S	*	*			trans	-108.3	102.5	151	-100.3	148.5	0	0	0	106.8	S806	S806-L808 PolarHBondContact O-N 3.38Å
809	A	27.7	Very low	30.5	Very low	85 Å²	85	146.4 Å²	146.4	70%	0.702	80%	0.798	S	S	*	*			trans	-74.1	169.7	162.7	0	0	0	0	0	109.5
810	P	38.5	Very low	29.9	Very low	114 Å²	114	145.9 Å²	145.9	74%	0.74	81%	0.805	S	S	*	*			cis	-130.3	173.4	6.4	33	-10.5	0	0	0	112.3
811	I	25.8	Very low	29.6	Very low	157 Å²	157	148.2 Å²	148.2	81%	0.805	81%	0.812	S	S	*	*				-166.2	132.2	92.6	-81.4	152.8	0	0	0	107.9
812	Q	26.8	Very low	29.3	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	82%	0.822	S	S	*	*			trans	-95.5	123.8	-179.4	-167.8	174.9	15.3	0	0	107.4
813	E	26	Very low	29.3	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	82%	0.823	S	S	*	*			trans	-136.3	142.7	161.9	-120.5	179.3	-166.8	0	0	111.8
814	H	27.8	Very low	29.3	Very low	173 Å²	173	155.6 Å²	155.6	80%	0.801	83%	0.834	S	S	*	*			trans	-75	153.9	-152.3	-103	-86.2	0	0	0	115.6
815	Q	28.1	Very low	29.5	Very low	167 Å²	167	156.4 Å²	156.4	78%	0.78	83%	0.829	S	S	*	*			trans	-44.1	146.9	164.8	-67.3	173.7	-42	0	0	114.8
816	L	28.4	Very low	29.7	Very low	180 Å²	180	161.4 Å²	161.4	94%	0.942	85%	0.852	S	S	*	*			trans	-149	121.6	140.7	-112.8	132.3	0	0	0	111.6
817	N	28.3	Very low	29.7	Very low	152 Å²	152	164.1 Å²	164.1	81%	0.813	86%	0.856	S	S	*	*			trans	-59.2	145.6	171.5	-82.7	-24.7	0	0	0	112.4
818	S	27.9	Very low	29.8	Very low	122 Å²	122	163.9 Å²	163.9	85%	0.853	85%	0.854	S	S	*	*			trans	-151.6	129.8	136.2	58	0	0	0	0	111.2
819	Q	29.6	Very low	29.8	Very low	198 Å²	198	163.3 Å²	163.3	93%	0.925	85%	0.851	S	S	*	*			trans	-68.5	146.1	172.4	-64.6	164.7	-56.8	0	0	110.6
820	S	28.1	Very low	29.9	Very low	117 Å²	117	167.9 Å²	167.9	82%	0.818	86%	0.86	S	S	*	*			trans	-155.6	126.5	134.7	77	0	0	0	0	111.5
821	E	28.4	Very low	29.4	Very low	183 Å²	183	171.3 Å²	171.3	86%	0.855	87%	0.868	S	S	*	*			trans	-51.2	151.8	170.9	-58.6	160.9	128.1	0	0	113.8
822	R	29.1	Very low	29.6	Very low	250 Å²	250	172.3 Å²	172.3	94%	0.943	87%	0.872	S	S	*	*				-171.2	128.5	117.3	-102.1	171.5	-162.3	-161.8	4.7	112.6
823	Q	31.3	Very low	29.8	Very low	182 Å²	182	171.6 Å²	171.6	85%	0.85	87%	0.873	S	S	*	*			trans	-73.8	152.2	166.1	-65.9	169.2	-44.8	0	0	112
824	S	29.7	Very low	30.1	Very low	108 Å²	108	170.3 Å²	170.3	76%	0.755	87%	0.873	S	S	*	*			trans	155	110.5	134.3	47.5	0	0	0	0	108.1
825	I	40.4	Very low	30.3	Very low	152 Å²	152	170.1 Å²	170.1	78%	0.779	88%	0.879	S	S	*	*				58.2	94.1	79	-56	171.9	0	0	0	111.8
826	N	34.8	Very low	30.5	Very low	230 Å²	230	170.4 Å²	170.4	100%	1.23	89%	0.888	S	S	*	*				-162.3	0	100.7	-105.8	-9.4	0	0	0	110.3

Retrieved 826 of 826 residues in 247 ms (Link to these results)

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