A0A087XXG0_POEFO Loading...

Spliceosome associated factor 3, U4/U6 recycling protein

AlphaFold DB , UniProt , Accession A0A087XXG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 945 aa.

						>A0A087XXG0_POEFO|A0A087XXG0
MAAPSNAEQTQLQDMEEEEEAGMEEREMESDEEEGMGVENSEDEEEDSSEDEKENEAEIQRLEEQLSINAFDYNCHVDLIKLLKQEGELFRLRKARQKMSELFPLTEEIWLDWLKDEIRLTEEDSNREKVYELFERAVKDYICPDIWLEYAQYSIGGMGSPGGIDKVRSIFERAVTAVGLHMTKGQTLWEAYREFENAVLSTVQPPPGRIPSREEQELLSAQLERIHTLFRRQLAVPLMDMETTYAEYEEWSENGVPETVVHLYRKALQQKEKCKSYEEALLVAEPPKLAEYQAYIDFELKEGDPARVQITFERALAENCLVPDMWTKYTTYLDRQLKIKDLVLSTHERAVRNCPWTMSLWKSYLQALERHGADHQSVSDVFEKALNAGFIQATDYVEIWQANLDYLRRRVDFSKESSKELEELRAAFSRSLDYLKQDVEERFGESGDPSCAIMQIWARIEAHHCKNMQKARELWDNIMTKGNAKYANMWLEYYSLERAYGDMTHCRKALHRAVQCTSDYPEHVCEVLLTFERVEGTLEDWDTAVQKTETRLNRINEQRAKAAEKETNLARHEEEKMEQRRKARAEKKAQKKSRGGEKRKAEQDDYQGDWTEESAPKRQRGNGDNNPDEYMETETGLFGRNAPPGNKPGPGGARNAQQGSAVAAQRQNDDRRELRDDSCSVFISNLAYTLEDPEAKLKLLFESCGPIRRVQLITGNRGISRGYGYVQFESAAAVPEALKLDRKEVEGRPMFVSPCVDKTKNPEFKVFKYNTSMEKHKIFISGLPFSCTKEELAEICKPHGSIRDVRLVTFRSGKPKGLAYVEFADETQASQAVLKLDGIDVEGNKISVAISNPPRRNLTDKPGSSRPAGDIMPRQAYGSRGRGRTQLSLLPRSLHRQPAPPGKVENGTAAERAPPPPPSGSTAANAAGEPRSLSNSDFAKMLLNK
					

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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	30.3	Very low	31.7	Very low	241 Å²	241	148.5 Å²	148.5	100%	1.187	87%	0.866	S	S	*	*				0	146	0	-59.5	-175.7	-162.4	0	0	107.3
2	A	31.6	Very low	31.5	Very low	111 Å²	111	150.8 Å²	150.8	92%	0.917	87%	0.87	S	S	*	*			trans	59.3	146.4	174	0	0	0	0	0	117
3	A	28.9	Very low	31.7	Very low	93 Å²	93	152.6 Å²	152.6	77%	0.769	87%	0.866	S	S	*	*			trans	-129	-170	-179.6	0	0	0	0	0	107.3
4	P	48.7	Very low	31.8	Very low	122 Å²	122	153.3 Å²	153.3	79%	0.792	87%	0.866	S	S	*	*			cis	-128.9	-160.4	-4.1	48.2	-31.9	0	0	0	110.4
5	S	28.6	Very low	31.8	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	87%	0.868	S	S	*	*			cis	-155.7	149.8	-9.6	-142.1	0	0	0	0	108.8
6	N	27.7	Very low	31.8	Very low	163 Å²	163	157.7 Å²	157.7	87%	0.872	87%	0.871	S	S	*	*			trans	-169.3	168.8	141.7	-136.9	-6.6	0	0	0	112.3
7	A	29.9	Very low	32	Very low	88 Å²	88	159.8 Å²	159.8	73%	0.727	87%	0.873	S	S	*	*			trans	67.5	85.8	169.6	0	0	0	0	0	117.2
8	E	28.7	Very low	31.7	Very low	198 Å²	198	161.9 Å²	161.9	93%	0.925	88%	0.876	S	S	*	*			trans	-76	145.7	145.8	-69.1	170.8	131.9	0	0	109
9	Q	31.8	Very low	31.6	Very low	186 Å²	186	164.2 Å²	164.2	87%	0.869	88%	0.88	S	S	*	*			trans	-146.3	58.5	-178.3	-162.3	-172.8	8.7	0	0	112.4
10	T	32.1	Very low	31.6	Very low	132 Å²	132	165.6 Å²	165.6	81%	0.81	88%	0.881	S	S	*	*			trans	-159.2	151.7	167.2	26.1	0	0	0	0	108.8
11	Q	30.7	Very low	31.4	Very low	190 Å²	190	162.7 Å²	162.7	89%	0.888	88%	0.881	S	S	*	*			trans	80.4	91.1	-172.7	-57.8	-179.3	-35.4	0	0	115
12	L	29.5	Very low	31.2	Very low	175 Å²	175	154.9 Å²	154.9	92%	0.916	86%	0.861	S	S	*	*			trans	-164.1	51.3	146.2	-109.5	171.4	0	0	0	109.9
13	Q	34.2	Very low	31	Very low	175 Å²	175	158.9 Å²	158.9	82%	0.818	86%	0.863	S	S	*	*			trans	-118.2	168.9	144.1	-69.3	-176.4	-73.4	0	0	105.3
14	D	32.6	Very low	31	Very low	162 Å²	162	163 Å²	163	87%	0.866	87%	0.867	S	S	*	*			trans	74.3	72.6	-173.2	-40.8	-23.2	0	0	0	113.8
15	M	31.8	Very low	30.1	Very low	181 Å²	181	164.6 Å²	164.6	89%	0.892	86%	0.864	S	S	*	*			trans	-162.7	34.1	155.1	-115.8	-164.1	84.6	0	0	114.7
16	E	32.3	Very low	30	Very low	196 Å²	196	169.9 Å²	169.9	92%	0.916	87%	0.867	S	S	*	*	S	Bend	trans	-132.4	39	172	-72.9	-168.2	138	0	0	111.7
17	E	34.1	Very low	29.9	Very low	194 Å²	194	170.5 Å²	170.5	91%	0.907	87%	0.865	S	S	*	*	S	Bend	trans	-160.6	59.3	179.4	-131.7	171.7	-130.5	0	0	112.8
18	E	27.6	Very low	29.8	Very low	197 Å²	197	174 Å²	174	92%	0.921	87%	0.868	S	S	*	*			trans	-160.5	66.6	170.6	-134.8	176	-132.8	0	0	114.9
19	E	30.1	Very low	29.8	Very low	205 Å²	205	173.3 Å²	173.3	96%	0.958	86%	0.864	S	S	*	*	S	Bend	trans	-150.6	38.7	155.4	-140.8	169.7	-133.9	0	0	113
20	E	31.1	Very low	29.7	Very low	192 Å²	192	169.1 Å²	169.1	90%	0.897	86%	0.856	S	S	*	*			trans	-128.7	159.4	169.7	-159.5	174.6	-133.8	0	0	110
21	A	27.1	Very low	29.4	Very low	106 Å²	106	170.8 Å²	170.8	88%	0.876	86%	0.86	S	S	*	*			trans	68	100.5	-172.3	0	0	0	0	0	115.9
22	G	26.3	Very low	29.6	Very low	76 Å²	76	170.9 Å²	170.9	78%	0.784	86%	0.86	S	S	*	*			trans	-135.9	-1.1	-169.1	0	0	0	0	0	119.1
23	M	27.3	Very low	29.9	Very low	195 Å²	195	171.3 Å²	171.3	96%	0.961	86%	0.858	S	S	*	*			trans	165.5	140.1	153	-96.5	177	-174.2	0	0	112.2
24	E	29.1	Very low	29.9	Very low	180 Å²	180	172.4 Å²	172.4	84%	0.841	86%	0.863	S	S	*	*			trans	-107.9	157	179.4	-75.9	-178.4	131.1	0	0	113.6
25	E	28.8	Very low	29.8	Very low	156 Å²	156	168.4 Å²	168.4	73%	0.729	86%	0.86	S	S	*	*			trans	49.5	118.5	152.5	-69.4	-167.6	164.7	0	0	121.9
26	R	26.9	Very low	29.9	Very low	220 Å²	220	169.4 Å²	169.4	83%	0.83	86%	0.864	S	S	*	*				168.6	147.6	117.8	-95.7	171	-158.6	-160.4	5.3	111.6
27	E	26.1	Very low	29.8	Very low	177 Å²	177	163.9 Å²	163.9	83%	0.827	86%	0.861	S	S	*	*			cis	-128.8	-179.3	6.6	-61.9	-170.7	130.7	0	0	112
28	M	27.3	Very low	30.1	Very low	162 Å²	162	160.7 Å²	160.7	80%	0.798	85%	0.854	S	S	*	*			trans	-104.2	161.3	-179.5	-65.9	177	172.1	0	0	112.8
29	E	28.5	Very low	30.5	Very low	182 Å²	182	160.6 Å²	160.6	85%	0.85	85%	0.854	S	S	*	*			trans	63.5	156.1	158.5	-71.9	174.6	175.8	0	0	117
30	S	29.7	Very low	30.7	Very low	98 Å²	98	156.5 Å²	156.5	69%	0.685	84%	0.838	S	S	*	*			cis	-169.8	151.5	-27.6	53.1	0	0	0	0	107.7
31	D	27.5	Very low	31.2	Very low	168 Å²	168	153 Å²	153	90%	0.898	84%	0.835	S	S	*	*			trans	-168.9	163.3	153.3	-108.7	-25.9	0	0	0	111.8
32	E	34	Very low	31.9	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	83%	0.834	S	S	*	*			trans	-101.5	-174	-164.8	-62.5	-175.5	137.2	0	0	115.3
33	E	36.4	Very low	32.6	Very low	185 Å²	185	159.7 Å²	159.7	86%	0.864	83%	0.832	S	S	*	*			trans	-46.5	141.6	-171.8	-51.6	178.3	131.1	0	0	118.1
34	E	33	Very low	33.4	Very low	198 Å²	198	159.5 Å²	159.5	93%	0.925	83%	0.829	S	S	*	*				173.7	157.8	111.2	-96.3	-164.5	170.4	0	0	112.4
35	G	30.4	Very low	34	Very low	78 Å²	78	159.4 Å²	159.4	80%	0.804	83%	0.829	S	S	*	*			trans	124.1	95.5	153	0	0	0	0	0	118.8
36	M	33.6	Very low	34.7	Very low	201 Å²	201	160.2 Å²	160.2	99%	0.99	83%	0.832	S	S	*	*			trans	-48.6	149.9	172.5	-54.7	169.5	-177.5	0	0	116.5
37	G	31.8	Very low	35.7	Very low	81 Å²	81	156.4 Å²	156.4	84%	0.835	83%	0.828	S	S	*	*			trans	167.6	69.9	158.9	0	0	0	0	0	117.8
38	V	39.8	Very low	36.9	Very low	126 Å²	126	151 Å²	151	76%	0.764	81%	0.81	S	S	*	*			trans	-90.3	134.1	174.9	177	0	0	0	0	111.6
39	E	35.6	Very low	38.5	Very low	196 Å²	196	145.2 Å²	145.2	92%	0.916	79%	0.786	S	S	*	*			trans	-159.1	126	137.7	-116.1	169.6	-149.1	0	0	110.6
40	N	35.1	Very low	40.4	Very low	118 Å²	118	143.4 Å²	143.4	63%	0.631	78%	0.777	S	S	*	*			trans	-71.6	152.7	-161.7	-60.4	22	0	0	0	115.7
41	S	40.8	Very low	42.4	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	77%	0.772	S	S	*	*			trans	-151.2	47	140.5	72	0	0	0	0	112.5
42	E	41.3	Very low	44.6	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	75%	0.752	S	S	*	*			trans	-131.5	92.6	179.1	-71.1	172.8	179.5	0	0	108
43	D	42.2	Very low	46.9	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	74%	0.737	S	S	*	*	S	Bend	trans	-149.1	15.9	-178.1	-85.5	-70	0	0	0	111.5
44	E	44	Very low	49.2	Very low	191 Å²	191	136 Å²	136	89%	0.893	73%	0.728	S	S	*	*	S	Bend	trans	-133.1	1.6	179.9	-70.6	-168.8	175.9	0	0	115.1
45	E	42.1	Very low	51.8	Low	179 Å²	179	128.4 Å²	128.4	84%	0.836	69%	0.694	S	S	*	*	S	Bend	trans	-115.4	-8.6	-177.5	-70.2	-165.6	-172.5	0	0	116.3
46	E	43.5	Very low	54.7	Low	172 Å²	172	127.1 Å²	127.1	80%	0.804	67%	0.667	S	S	*	*	H	α-helix	trans	-73.4	-33.8	177	-69.5	-164.7	132.2	0	0	113.1	S48 S49	E46-S48 PolarHBondContact O-N 2.68Å; E46-S49 WeakPolarHBondContact O-CB 3.25Å; E46-S49 PolarHBondContact O-N 2.87Å; E46-S49 VanDerWaalsContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 3.07Å
47	D	46.9	Very low	57.4	Low	140 Å²	140	120.3 Å²	120.3	75%	0.749	64%	0.642	S	S	*	*	H	α-helix	trans	-65.6	-39.9	-167.2	-149.2	37.4	0	0	0	113.4	S49	D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.93Å
48	S	51.4	Low	60.3	Low	63 Å²	63	119.8 Å²	119.8	44%	0.441	62%	0.618	S	S	.	*	H	α-helix	trans	-69.8	-28	176.4	89.5	0	0	0	0	112.3	E46 E50 D51 E52	E46-S48 PolarHBondContact O-N 2.68Å; S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 3.29Å; S48-D51 PolarHBondContact O-N 3Å; S48-E52 WeakPolarHBondContact CB-OE1 3.15Å; S48-E52 WeakPolarHBondContact O-CB 3.37Å; S48-E52 VanDerWaalsContact O-CG 3.26Å; S48-E52 WeakPolarHBondContact O-CG 3.29Å; S48-E52 PolarHBondContact O-N 3.39Å; S48-E52 PolarHBondContact OG-OE1 3.24Å
49	S	60.9	Low	62.8	Low	41 Å²	41	113.8 Å²	113.8	29%	0.287	58%	0.582	S	S	.	*	H	α-helix	trans	-70.9	-21.6	-174.7	90.4	0	0	0	0	112.6	E46 D47 K53	E46-S49 WeakPolarHBondContact O-CB 3.25Å; E46-S49 PolarHBondContact O-N 2.87Å; E46-S49 VanDerWaalsContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 3.07Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.93Å; S49-K53 WeakPolarHBondContact O-CD 3.41Å; S49-K53 WeakPolarHBondContact O-CE 3.4Å; S49-K53 VanDerWaalsContact O-CG 3.22Å; S49-K53 WeakPolarHBondContact O-CG 3.3Å; S49-K53 PolarHBondContact O-NZ 2.96Å; S49-K53 PolarHBondContact OG-NZ 3.45Å
50	E	67.9	Low	65.5	Low	144 Å²	144	109.7 Å²	109.7	67%	0.673	56%	0.563	S	S	*	*	H	α-helix	trans	-82.8	-46.2	172.6	-60.2	-153	135.7	0	0	111	S48 E52 K53 E54	S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 3.29Å; E50-E52 PolarHBondContact O-N 3.17Å; E50-K53 PolarHBondContact O-N 3.45Å; E50-E54 PolarHBondContact O-N 2.96Å
51	D	71.5	Confident	68.4	Low	107 Å²	107	109.2 Å²	109.2	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-54.3	-46.3	175.3	-95.1	4	0	0	0	112.4	S48 K53 E54 N55	S48-D51 PolarHBondContact O-N 3Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 PolarHBondContact O-N 3.38Å; D51-E54 PolarHBondContact O-N 3.17Å; D51-N55 WeakPolarHBondContact O-CB 3.4Å; D51-N55 VanDerWaalsContact O-CG 3.3Å; D51-N55 PolarHBondContact O-N 3.35Å; D51-N55 PolarHBondContact O-ND2 2.86Å
52	E	75.1	Confident	70.8	Confident	102 Å²	102	103.8 Å²	103.8	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-59.9	-36.7	177.3	-73	164.5	-140.3	0	0	112.1	S48 E50 E56	S48-E52 WeakPolarHBondContact CB-OE1 3.15Å; S48-E52 WeakPolarHBondContact O-CB 3.37Å; S48-E52 VanDerWaalsContact O-CG 3.26Å; S48-E52 WeakPolarHBondContact O-CG 3.29Å; S48-E52 PolarHBondContact O-N 3.39Å; S48-E52 PolarHBondContact OG-OE1 3.24Å; E50-E52 PolarHBondContact O-N 3.17Å; E52-E56 PolarHBondContact O-N 3.43Å; E52-E56 VanDerWaalsContact O-N 3.11Å
53	K	81.4	Confident	73.3	Confident	133 Å²	133	98.3 Å²	98.3	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-76.1	-37.4	178.6	-66.9	176.8	-161.3	101.9	0	112.1	S49 E50 D51 A57	S49-K53 WeakPolarHBondContact O-CD 3.41Å; S49-K53 WeakPolarHBondContact O-CE 3.4Å; S49-K53 VanDerWaalsContact O-CG 3.22Å; S49-K53 WeakPolarHBondContact O-CG 3.3Å; S49-K53 PolarHBondContact O-NZ 2.96Å; S49-K53 PolarHBondContact OG-NZ 3.45Å; E50-K53 PolarHBondContact O-N 3.45Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 PolarHBondContact O-N 3.38Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.47Å; K53-A57 VanDerWaalsContact O-N 3.14Å
54	E	85.6	Confident	75.7	Confident	144 Å²	144	97.6 Å²	97.6	67%	0.673	48%	0.48	S	S	*	.	H	α-helix	trans	-66.4	-40.8	173.4	-68.1	-151.8	162.6	0	0	111.3	E50 D51 A57 E58	E50-E54 PolarHBondContact O-N 2.96Å; D51-E54 PolarHBondContact O-N 3.17Å; E54-A57 PolarHBondContact O-N 3.39Å; E54-E58 PolarHBondContact O-N 3.43Å
55	N	87.7	Confident	77.9	Confident	39 Å²	39	91.4 Å²	91.4	21%	0.209	45%	0.451	C	S	.	.	H	α-helix	trans	-65.4	-44.3	178.1	-71.5	-21.2	0	0	0	112.3	D51 A57 E58 I59 E86	D51-N55 WeakPolarHBondContact O-CB 3.4Å; D51-N55 VanDerWaalsContact O-CG 3.3Å; D51-N55 PolarHBondContact O-N 3.35Å; D51-N55 PolarHBondContact O-ND2 2.86Å; N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.86Å; N55-E58 PolarHBondContact O-N 3.35Å; N55-I59 WeakPolarHBondContact O-CB 3.43Å; N55-I59 WeakPolarHBondContact O-CD1 3.37Å; N55-I59 VanDerWaalsContact O-CG1 3.22Å; N55-I59 WeakPolarHBondContact O-CG1 3.35Å; N55-I59 PolarHBondContact O-N 3.08Å; N55-E86 HydrophobicContact CB-CG 4.17Å; N55-E86 PolarHBondContact ND2-OE1 3.43Å
56	E	90	Very high	80.1	Confident	52 Å²	52	83.8 Å²	83.8	24%	0.243	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-36.5	175.4	178.7	55	-153.7	0	0	112.3	E52 I59 Q60 R91	E52-E56 PolarHBondContact O-N 3.43Å; E52-E56 VanDerWaalsContact O-N 3.11Å; E56-I59 PolarHBondContact O-N 3.31Å; E56-Q60 WeakPolarHBondContact O-CG 3.39Å; E56-Q60 PolarHBondContact O-N 3.27Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.13Å; E56-Q60 PolarHBondContact OE1-NE2 2.81Å; E56-R91 IonicContact OE1-CZ 3.29Å; E56-R91 IonicContact OE1-NH1 3.49Å; E56-R91 PolarHBondContact OE1-NH1 3.05Å; E56-R91 IonicContact OE1-NH2 2.79Å; E56-R91 PolarHBondContact OE1-NH2 3.5Å; E56-R91 IonicContact OE2-CZ 3.82Å; E56-R91 IonicContact OE2-NH1 3.8Å; E56-R91 PolarHBondContact OE2-NH1 2.91Å; E56-R91 IonicContact OE2-NH2 2.73Å
57	A	90.6	Very high	82.2	Confident	58 Å²	58	80 Å²	80	48%	0.479	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-41.1	175	0	0	0	0	0	112.3	K53 E54 N55 Q60 R61	K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.47Å; K53-A57 VanDerWaalsContact O-N 3.14Å; E54-A57 PolarHBondContact O-N 3.39Å; N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.86Å; A57-Q60 PolarHBondContact O-N 2.89Å; A57-R61 PolarHBondContact O-N 3.19Å
58	E	92	Very high	84.1	Confident	70 Å²	70	79.9 Å²	79.9	33%	0.327	41%	0.406	S	S	.	.	H	α-helix	trans	-70.1	-37.3	174.8	-178.9	63.2	-173.7	0	0	111.9	E54 N55 Q60 R61 L62 L82	E54-E58 PolarHBondContact O-N 3.43Å; N55-E58 PolarHBondContact O-N 3.35Å; E58-Q60 VanDerWaalsContact C-N 3.34Å; E58-Q60 PolarHBondContact O-N 3.07Å; E58-R61 WeakPolarHBondContact O-CB 3.19Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 IonicContact OE1-CZ 3.39Å; E58-R61 IonicContact OE1-NE 3.54Å; E58-R61 PolarHBondContact OE1-NE 2.69Å; E58-R61 IonicContact OE1-NH2 2.82Å; E58-R61 PolarHBondContact OE1-NH2 2.69Å; E58-R61 WeakPolarHBondContact OE2-CD 3.47Å; E58-R61 IonicContact OE2-CZ 3.01Å; E58-R61 IonicContact OE2-NE 3.72Å; E58-R61 PolarHBondContact OE2-NE 2.74Å; E58-R61 IonicContact OE2-NH2 3.24Å; E58-L62 HydrophobicContact CG-CD1 4.06Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.24Å; E58-L62 WeakPolarHBondContact O-CG 3.48Å; E58-L62 PolarHBondContact O-N 2.89Å; E58-L82 HydrophobicContact CB-CD1 4.3Å; E58-L82 HydrophobicContact CG-CD1 3.69Å
59	I	93.3	Very high	85.4	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-56.5	-48.4	171.2	-75.8	161.1	0	0	0	110.2	N55 E56 R61 L62 E63 L79 L82 L83 E86 R91	N55-I59 WeakPolarHBondContact O-CB 3.43Å; N55-I59 WeakPolarHBondContact O-CD1 3.37Å; N55-I59 VanDerWaalsContact O-CG1 3.22Å; N55-I59 WeakPolarHBondContact O-CG1 3.35Å; N55-I59 PolarHBondContact O-N 3.08Å; E56-I59 PolarHBondContact O-N 3.31Å; I59-R61 PolarHBondContact O-N 2.92Å; I59-L62 PolarHBondContact O-N 3.33Å; I59-E63 WeakPolarHBondContact O-CG 3.48Å; I59-E63 PolarHBondContact O-N 2.72Å; I59-L79 HydrophobicContact CB-CD1 4.32Å; I59-L79 HydrophobicContact CG1-CD1 4.34Å; I59-L79 HydrophobicContact CG2-CD1 3.88Å; I59-L82 HydrophobicContact CD1-CB 4.1Å; I59-L82 HydrophobicContact CG1-CB 3.75Å; I59-L82 HydrophobicContact CG1-CD1 4.39Å; I59-L83 HydrophobicContact CD1-CD2 3.98Å; I59-L83 HydrophobicContact CG1-CD2 4.29Å; I59-L83 HydrophobicContact CG2-CD2 3.85Å; I59-E86 HydrophobicContact CD1-CG 3.82Å; I59-R91 VanDerWaalsContact CG2-NH2 3.3Å
60	Q	93.3	Very high	86.5	Confident	110 Å²	110	80.2 Å²	80.2	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-40.9	176.9	-70.9	174.5	23.6	0	0	112	E56 A57 E58 L62 E63 E64	E56-Q60 WeakPolarHBondContact O-CG 3.39Å; E56-Q60 PolarHBondContact O-N 3.27Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.13Å; E56-Q60 PolarHBondContact OE1-NE2 2.81Å; A57-Q60 PolarHBondContact O-N 2.89Å; E58-Q60 VanDerWaalsContact C-N 3.34Å; E58-Q60 PolarHBondContact O-N 3.07Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 3.38Å; Q60-E63 PolarHBondContact O-N 3.08Å; Q60-E64 PolarHBondContact O-N 2.67Å
61	R	94.5	Very high	87.1	Confident	108 Å²	108	79.8 Å²	79.8	41%	0.408	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-38.5	175.2	-161.7	-165.5	67.1	66.1	1.5	112.4	A57 E58 I59 Q65	A57-R61 PolarHBondContact O-N 3.19Å; E58-R61 WeakPolarHBondContact O-CB 3.19Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 IonicContact OE1-CZ 3.39Å; E58-R61 IonicContact OE1-NE 3.54Å; E58-R61 PolarHBondContact OE1-NE 2.69Å; E58-R61 IonicContact OE1-NH2 2.82Å; E58-R61 PolarHBondContact OE1-NH2 2.69Å; E58-R61 WeakPolarHBondContact OE2-CD 3.47Å; E58-R61 IonicContact OE2-CZ 3.01Å; E58-R61 IonicContact OE2-NE 3.72Å; E58-R61 PolarHBondContact OE2-NE 2.74Å; E58-R61 IonicContact OE2-NH2 3.24Å; I59-R61 PolarHBondContact O-N 2.92Å; R61-Q65 WeakPolarHBondContact O-CB 3.43Å; R61-Q65 PolarHBondContact O-N 3.39Å
62	L	92.4	Very high	87.5	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-75.5	-36.4	177.1	-66	167.7	0	0	0	112	E58 I59 Q60 Q65 L66 C75 D78 L79 L82	E58-L62 HydrophobicContact CG-CD1 4.06Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.24Å; E58-L62 WeakPolarHBondContact O-CG 3.48Å; E58-L62 PolarHBondContact O-N 2.89Å; I59-L62 PolarHBondContact O-N 3.33Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 3.38Å; L62-Q65 PolarHBondContact O-N 2.79Å; L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.8Å; L62-C75 WeakPolarHBondContact CD2-SG 3.28Å; L62-D78 HydrophobicContact CD1-CB 4.36Å; L62-L79 HydrophobicContact CB-CB 4.18Å; L62-L79 HydrophobicContact CB-CD1 4.23Å; L62-L79 HydrophobicContact CD1-CB 4.3Å; L62-L82 HydrophobicContact CD1-CD1 3.63Å
63	E	92.4	Very high	88	Confident	67 Å²	67	75.3 Å²	75.3	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-38.1	171.9	-72.3	-165.6	118	0	0	111.6	I59 Q60 S67 L79 R91	I59-E63 WeakPolarHBondContact O-CG 3.48Å; I59-E63 PolarHBondContact O-N 2.72Å; Q60-E63 PolarHBondContact O-N 3.08Å; E63-S67 PolarHBondContact O-N 3.39Å; E63-L79 HydrophobicContact CG-CD1 3.96Å; E63-L79 HydrophobicContact CG-CD2 3.83Å; E63-R91 IonicContact OE2-CZ 2.8Å; E63-R91 IonicContact OE2-NE 2.69Å; E63-R91 IonicContact OE2-NH2 2.88Å; E63-R91 PolarHBondContact OE2-NH2 2.97Å
64	E	92.4	Very high	88.2	Confident	124 Å²	124	74.1 Å²	74.1	58%	0.579	38%	0.376	S	S	*	.	H	α-helix	trans	-65.7	-46.9	171.4	-172.7	-179.9	-161.1	0	0	111.5	Q60 L66 S67 I68	Q60-E64 PolarHBondContact O-N 2.67Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.23Å; E64-S67 WeakPolarHBondContact O-CA 3.49Å; E64-S67 WeakPolarHBondContact O-CB 3.39Å; E64-S67 PolarHBondContact O-N 3.03Å; E64-S67 PolarHBondContact O-OG 3.38Å; E64-I68 HydrophobicContact CG-CD1 4.29Å; E64-I68 PolarHBondContact O-N 3.39Å; E64-I68 VanDerWaalsContact O-N 3.09Å
65	Q	90.6	Very high	88.5	Confident	61 Å²	61	67.4 Å²	67.4	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-39.4	177	180	171.4	-29.4	0	0	111.9	R61 L62 I68 N69 D72	R61-Q65 WeakPolarHBondContact O-CB 3.43Å; R61-Q65 PolarHBondContact O-N 3.39Å; L62-Q65 PolarHBondContact O-N 2.79Å; Q65-I68 PolarHBondContact O-N 3.41Å; Q65-N69 PolarHBondContact O-N 2.7Å; Q65-D72 PolarHBondContact NE2-OD2 3.05Å
66	L	88.7	Confident	88.6	Confident	19 Å²	19	65.8 Å²	65.8	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-74.3	-22.2	173.3	-70.6	177.8	0	0	0	114.1	L62 E64 I68 N69 A70 D72 C75 L79	L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.8Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 3.23Å; L66-I68 VanDerWaalsContact C-N 3.35Å; L66-N69 CarbonylContact O-C 3.54Å; L66-A70 VanDerWaalsContact O-CA 3.3Å; L66-A70 WeakPolarHBondContact O-CA 3.46Å; L66-A70 PolarHBondContact O-N 3.07Å; L66-A70 VanDerWaalsContact O-N 3.11Å; L66-D72 HydrophobicContact CD2-CB 4.27Å; L66-C75 HydrophobicContact CD2-CB 3.79Å; L66-C75 HydrophobicContact CG-CB 4.18Å; L66-L79 HydrophobicContact CD1-CD2 3.62Å
67	S	88.3	Confident	88.6	Confident	92 Å²	92	65.8 Å²	65.8	64%	0.643	34%	0.34	S	S	*	.	H	α-helix	trans	-70.6	-33.8	170.8	83	0	0	0	0	111.8	E63 E64	E63-S67 PolarHBondContact O-N 3.39Å; E64-S67 WeakPolarHBondContact O-CA 3.49Å; E64-S67 WeakPolarHBondContact O-CB 3.39Å; E64-S67 PolarHBondContact O-N 3.03Å; E64-S67 PolarHBondContact O-OG 3.38Å
68	I	86.3	Confident	88.7	Confident	138 Å²	138	66.6 Å²	66.6	71%	0.708	34%	0.336	S	S	*	.	H	α-helix	trans	-79.5	-42.2	176.3	-62.2	164.8	0	0	0	110.9	E64 Q65 L66	E64-I68 HydrophobicContact CG-CD1 4.29Å; E64-I68 PolarHBondContact O-N 3.39Å; E64-I68 VanDerWaalsContact O-N 3.09Å; Q65-I68 PolarHBondContact O-N 3.41Å; L66-I68 VanDerWaalsContact C-N 3.35Å
69	N	79.1	Confident	88.8	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	32%	0.321	S	S	.	.			trans	-137.7	88.7	178.5	-179.8	22.7	0	0	0	111.8	Q65 L66 F71 D72	Q65-N69 PolarHBondContact O-N 2.7Å; L66-N69 CarbonylContact O-C 3.54Å; N69-F71 PolarHBondContact O-N 3.38Å; N69-F71 PolarHBondContact OD1-N 3.16Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; N69-D72 PolarHBondContact O-N 3.4Å
70	A	83.5	Confident	88.8	Confident	41 Å²	41	64.2 Å²	64.2	34%	0.339	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.8	175.6	0	0	0	0	0	113.8	L66 H76 L102	L66-A70 VanDerWaalsContact O-CA 3.3Å; L66-A70 WeakPolarHBondContact O-CA 3.46Å; L66-A70 PolarHBondContact O-N 3.07Å; L66-A70 VanDerWaalsContact O-N 3.11Å; A70-H76 PolarHBondContact O-NE2 2.87Å; A70-L102 HydrophobicContact CB-CD1 4.14Å; A70-L102 VanDerWaalsContact O-CD1 3.32Å; A70-L102 WeakPolarHBondContact O-CD1 3.49Å
71	F	80.3	Confident	88.8	Confident	135 Å²	135	64.7 Å²	64.7	59%	0.592	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	11.5	-179	-59.1	-78.2	0	0	0	114.2	N69 Y73 L102 F103	N69-F71 PolarHBondContact O-N 3.38Å; N69-F71 PolarHBondContact OD1-N 3.16Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; F71-Y73 PolarHBondContact O-N 3.15Å; F71-L102 HydrophobicContact CE1-CD2 4.06Å; F71-F103 HydrophobicContact CB-CZ 4.49Å; F71-F103 WeakPolarHBondContact O-CZ 3.5Å
72	D	80.6	Confident	88.7	Confident	39 Å²	39	60.5 Å²	60.5	21%	0.209	31%	0.311	C	S	.	.			trans	-80.5	91.8	171.5	-169.4	-21.7	0	0	0	111.6	Q65 L66 N69 N74 C75 H76	Q65-D72 PolarHBondContact NE2-OD2 3.05Å; L66-D72 HydrophobicContact CD2-CB 4.27Å; N69-D72 PolarHBondContact O-N 3.4Å; D72-N74 VanDerWaalsContact C-N 3.29Å; D72-N74 PolarHBondContact O-N 3Å; D72-N74 PolarHBondContact OD1-N 2.88Å; D72-C75 HydrophobicContact CB-CB 3.72Å; D72-C75 PolarHBondContact O-N 3.06Å; D72-C75 PolarHBondContact OD1-N 3.17Å; D72-C75 VanDerWaalsContact OD1-N 3.09Å; D72-H76 PolarHBondContact O-CD2 3.41Å; D72-H76 VanDerWaalsContact O-CD2 3.25Å; D72-H76 PolarHBondContact O-N 2.95Å
73	Y	84.1	Confident	88.7	Confident	76 Å²	76	60.3 Å²	60.3	30%	0.298	31%	0.31	S	S	.	.	H	α-helix	trans	-54.2	-40.8	180	179.2	-86.8	0	0	0	113.4	F71 H76 V77 M99 F103 I109	F71-Y73 PolarHBondContact O-N 3.15Å; Y73-H76 PolarHBondContact O-N 3.35Å; Y73-V77 HydrophobicContact CD1-CG2 4.19Å; Y73-V77 HydrophobicContact CE1-CG2 3.73Å; Y73-V77 WeakPolarHBondContact O-CG2 3.18Å; Y73-V77 PolarHBondContact O-N 2.89Å; Y73-M99 HydrophobicContact CD2-CE 3.7Å; Y73-M99 HydrophobicContact CE1-CE 4.34Å; Y73-M99 HydrophobicContact CE2-CE 3.33Å; Y73-M99 HydrophobicContact CG-CE 4.35Å; Y73-F103 HydrophobicContact CD2-CB 4.31Å; Y73-F103 HydrophobicContact CD2-CD1 4.01Å; Y73-F103 HydrophobicContact CD2-CD2 4.18Å; Y73-F103 HydrophobicContact CD2-CE1 4.37Å; Y73-F103 AromaticContact CD2-CG 3.9Å; Y73-F103 HydrophobicContact CD2-CG 3.9Å; Y73-F103 HydrophobicContact CE2-CB 4.48Å; Y73-I109 WeakPolarHBondContact OH-CD1 3.22Å
74	N	87.4	Confident	88.7	Confident	107 Å²	107	60.4 Å²	60.4	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-70.4	-41.8	-177.7	-65.2	-31.6	0	0	0	110.4	D72 H76 V77 D78	D72-N74 VanDerWaalsContact C-N 3.29Å; D72-N74 PolarHBondContact O-N 3Å; D72-N74 PolarHBondContact OD1-N 2.88Å; N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 PolarHBondContact O-N 3.23Å; N74-V77 PolarHBondContact O-N 2.96Å; N74-D78 PolarHBondContact O-N 3.42Å
75	C	90.4	Very high	88.6	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-33.5	176.3	-165.6	0	0	0	0	112.7	L62 L66 D72 L79	L62-C75 WeakPolarHBondContact CD2-SG 3.28Å; L66-C75 HydrophobicContact CD2-CB 3.79Å; L66-C75 HydrophobicContact CG-CB 4.18Å; D72-C75 HydrophobicContact CB-CB 3.72Å; D72-C75 PolarHBondContact O-N 3.06Å; D72-C75 PolarHBondContact OD1-N 3.17Å; D72-C75 VanDerWaalsContact OD1-N 3.09Å; C75-L79 WeakPolarHBondContact O-CB 3.32Å; C75-L79 PolarHBondContact O-N 3.46Å; C75-L79 VanDerWaalsContact O-N 3.12Å
76	H	90.3	Very high	88.6	Confident	5 Å²	5	60 Å²	60	2%	0.023	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-44.1	169.1	-76.1	-85.9	0	0	0	112.4	A70 D72 Y73 N74 I80 M99 F103	A70-H76 PolarHBondContact O-NE2 2.87Å; D72-H76 PolarHBondContact O-CD2 3.41Å; D72-H76 VanDerWaalsContact O-CD2 3.25Å; D72-H76 PolarHBondContact O-N 2.95Å; Y73-H76 PolarHBondContact O-N 3.35Å; N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 PolarHBondContact O-N 3.23Å; H76-I80 VanDerWaalsContact O-CB 3.31Å; H76-I80 WeakPolarHBondContact O-CB 3.16Å; H76-I80 WeakPolarHBondContact O-CD1 3.49Å; H76-I80 WeakPolarHBondContact O-CG1 3.2Å; H76-I80 PolarHBondContact O-N 3.41Å; H76-M99 HydrophobicContact CB-CB 4.13Å; H76-M99 HydrophobicContact CB-CE 4.21Å; H76-M99 HydrophobicContact CB-CG 3.66Å; H76-M99 HydrophobicContact CB-SD 3.9Å; H76-F103 AromaticContact CD2-CE2 3.77Å; H76-F103 AromaticContact NE2-CE2 3.99Å
77	V	90.3	Very high	88.5	Confident	52 Å²	52	61.2 Å²	61.2	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-46.6	-179.5	172.2	0	0	0	0	111.4	Y73 N74 I80 K81 M99	Y73-V77 HydrophobicContact CD1-CG2 4.19Å; Y73-V77 HydrophobicContact CE1-CG2 3.73Å; Y73-V77 WeakPolarHBondContact O-CG2 3.18Å; Y73-V77 PolarHBondContact O-N 2.89Å; N74-V77 PolarHBondContact O-N 2.96Å; V77-I80 PolarHBondContact O-N 3.34Å; V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 PolarHBondContact O-N 3.42Å; V77-M99 HydrophobicContact CG2-CE 3.59Å
78	D	92.4	Very high	88.5	Confident	75 Å²	75	60.6 Å²	60.6	40%	0.401	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-39.3	-179.7	-71	-43.3	0	0	0	111.7	L62 N74 K81 L82	L62-D78 HydrophobicContact CD1-CB 4.36Å; N74-D78 PolarHBondContact O-N 3.42Å; D78-K81 WeakPolarHBondContact O-CB 3.24Å; D78-K81 PolarHBondContact O-N 3.5Å; D78-L82 PolarHBondContact O-N 3.3Å
79	L	93.4	Very high	88.6	Confident	5 Å²	5	58 Å²	58	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-47	172.7	176.8	62.5	0	0	0	112.1	I59 L62 E63 L66 C75 K81 L82 L83 A95	I59-L79 HydrophobicContact CB-CD1 4.32Å; I59-L79 HydrophobicContact CG1-CD1 4.34Å; I59-L79 HydrophobicContact CG2-CD1 3.88Å; L62-L79 HydrophobicContact CB-CB 4.18Å; L62-L79 HydrophobicContact CB-CD1 4.23Å; L62-L79 HydrophobicContact CD1-CB 4.3Å; E63-L79 HydrophobicContact CG-CD1 3.96Å; E63-L79 HydrophobicContact CG-CD2 3.83Å; L66-L79 HydrophobicContact CD1-CD2 3.62Å; C75-L79 WeakPolarHBondContact O-CB 3.32Å; C75-L79 PolarHBondContact O-N 3.46Å; C75-L79 VanDerWaalsContact O-N 3.12Å; L79-K81 PolarHBondContact O-N 3.33Å; L79-L82 PolarHBondContact O-N 2.68Å; L79-L83 HydrophobicContact CD1-CD1 3.75Å; L79-L83 HydrophobicContact CD1-CG 3.92Å; L79-L83 HydrophobicContact CD2-CD1 4.48Å; L79-L83 HydrophobicContact CG-CD1 3.78Å; L79-L83 HydrophobicContact CG-CG 4.35Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.49Å; L79-A95 HydrophobicContact CD2-CB 4.42Å
80	I	93.9	Very high	89	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-33.7	178	-74.2	166.4	0	0	0	111.2	H76 V77 K84 L92 A95 R96 M99	H76-I80 VanDerWaalsContact O-CB 3.31Å; H76-I80 WeakPolarHBondContact O-CB 3.16Å; H76-I80 WeakPolarHBondContact O-CD1 3.49Å; H76-I80 WeakPolarHBondContact O-CG1 3.2Å; H76-I80 PolarHBondContact O-N 3.41Å; V77-I80 PolarHBondContact O-N 3.34Å; I80-K84 VanDerWaalsContact O-CB 3.29Å; I80-K84 WeakPolarHBondContact O-CB 3.49Å; I80-K84 PolarHBondContact O-N 2.9Å; I80-L92 HydrophobicContact CB-CD1 4.48Å; I80-L92 HydrophobicContact CG2-CD1 3.89Å; I80-L92 VanDerWaalsContact O-CD1 3.26Å; I80-L92 WeakPolarHBondContact O-CD1 3.15Å; I80-A95 HydrophobicContact CG1-CB 3.81Å; I80-R96 HydrophobicContact CD1-CB 4.47Å; I80-R96 HydrophobicContact CD1-CG 3.85Å; I80-R96 HydrophobicContact CG1-CG 4.03Å; I80-R96 HydrophobicContact CG2-CG 3.86Å; I80-M99 HydrophobicContact CD1-CB 3.96Å; I80-M99 HydrophobicContact CD1-CG 4.34Å; I80-M99 HydrophobicContact CD1-SD 3.55Å; I80-M99 VanDerWaalsContact CD1-SD 3.55Å
81	K	92.8	Very high	89.4	Confident	120 Å²	120	62.2 Å²	62.2	52%	0.522	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-49.7	175.6	179.5	-168.1	162.3	-144.7	0	111.4	V77 D78 L79 K84 Q85	V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 PolarHBondContact O-N 3.42Å; D78-K81 WeakPolarHBondContact O-CB 3.24Å; D78-K81 PolarHBondContact O-N 3.5Å; L79-K81 PolarHBondContact O-N 3.33Å; K81-K84 PolarHBondContact O-N 3.48Å; K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 2.91Å; K81-Q85 VanDerWaalsContact O-N 3.08Å
82	L	92.9	Very high	90	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.105	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-48.4	178.2	-74.8	165.3	0	0	0	111.9	E58 I59 L62 D78 L79 K84 Q85 E86	E58-L82 HydrophobicContact CB-CD1 4.3Å; E58-L82 HydrophobicContact CG-CD1 3.69Å; I59-L82 HydrophobicContact CD1-CB 4.1Å; I59-L82 HydrophobicContact CG1-CB 3.75Å; I59-L82 HydrophobicContact CG1-CD1 4.39Å; L62-L82 HydrophobicContact CD1-CD1 3.63Å; D78-L82 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 2.68Å; L82-K84 PolarHBondContact O-N 2.88Å; L82-Q85 WeakPolarHBondContact O-CA 3.23Å; L82-Q85 WeakPolarHBondContact O-CB 3.32Å; L82-Q85 PolarHBondContact O-N 3.07Å; L82-E86 PolarHBondContact O-N 3.01Å
83	L	92.9	Very high	90.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-21.4	175.4	-69.6	172.9	0	0	0	113.7	I59 L79 E88 R91 L92 A95	I59-L83 HydrophobicContact CD1-CD2 3.98Å; I59-L83 HydrophobicContact CG1-CD2 4.29Å; I59-L83 HydrophobicContact CG2-CD2 3.85Å; L79-L83 HydrophobicContact CD1-CD1 3.75Å; L79-L83 HydrophobicContact CD1-CG 3.92Å; L79-L83 HydrophobicContact CD2-CD1 4.48Å; L79-L83 HydrophobicContact CG-CD1 3.78Å; L79-L83 HydrophobicContact CG-CG 4.35Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.49Å; L83-E88 HydrophobicContact CD2-CB 4.01Å; L83-E88 PolarHBondContact O-N 2.73Å; L83-R91 HydrophobicContact CD1-CB 4.03Å; L83-R91 HydrophobicContact CD2-CB 3.67Å; L83-R91 HydrophobicContact CG-CB 4.45Å; L83-L92 HydrophobicContact CB-CB 4.1Å; L83-L92 HydrophobicContact CB-CD1 4.16Å; L83-A95 HydrophobicContact CD1-CB 3.84Å
84	K	91.5	Very high	90.9	Very high	70 Å²	70	60 Å²	60	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-88.4	-21.8	173.3	179.1	162.8	172.4	160.7	0	113.4	I80 K81 L82 L92 D112 D116	I80-K84 VanDerWaalsContact O-CB 3.29Å; I80-K84 WeakPolarHBondContact O-CB 3.49Å; I80-K84 PolarHBondContact O-N 2.9Å; K81-K84 PolarHBondContact O-N 3.48Å; L82-K84 PolarHBondContact O-N 2.88Å; K84-L92 HydrophobicContact CB-CD1 4Å; K84-L92 HydrophobicContact CB-CD2 3.9Å; K84-L92 HydrophobicContact CG-CD2 4.29Å; K84-D112 IonicContact NZ-OD1 3.43Å; K84-D112 PolarHBondContact NZ-OD1 3.07Å; K84-D112 IonicContact NZ-OD2 2.69Å; K84-D112 PolarHBondContact NZ-OD2 3.12Å; K84-D116 WeakPolarHBondContact CE-OD2 3.48Å; K84-D116 IonicContact NZ-OD1 2.77Å; K84-D116 PolarHBondContact NZ-OD1 2.73Å; K84-D116 IonicContact NZ-OD2 3.38Å; K84-D116 PolarHBondContact NZ-OD2 3.46Å
85	Q	90.3	Very high	91.2	Very high	112 Å²	112	55.1 Å²	55.1	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-75	-47.2	171.1	-70.6	176.2	-124.2	0	0	110.4	K81 L82 G87	K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 2.91Å; K81-Q85 VanDerWaalsContact O-N 3.08Å; L82-Q85 WeakPolarHBondContact O-CA 3.23Å; L82-Q85 WeakPolarHBondContact O-CB 3.32Å; L82-Q85 PolarHBondContact O-N 3.07Å; Q85-G87 PolarHBondContact O-N 3.45Å
86	E	90.3	Very high	91.3	Very high	64 Å²	64	55.4 Å²	55.4	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.2	177.4	-53.2	-44	110.3	0	0	114	N55 I59 L82 E88	N55-E86 HydrophobicContact CB-CG 4.17Å; N55-E86 PolarHBondContact ND2-OE1 3.43Å; I59-E86 HydrophobicContact CD1-CG 3.82Å; L82-E86 PolarHBondContact O-N 3.01Å; E86-E88 VanDerWaalsContact C-N 3.27Å; E86-E88 PolarHBondContact O-N 3.14Å
87	G	87.1	Confident	91.5	Very high	44 Å²	44	58.6 Å²	58.6	45%	0.454	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	16.6	-179.2	0	0	0	0	0	114.7	Q85 L89	Q85-G87 PolarHBondContact O-N 3.45Å; G87-L89 VanDerWaalsContact C-N 3.26Å; G87-L89 WeakPolarHBondContact O-CG 3.36Å; G87-L89 PolarHBondContact O-N 2.99Å
88	E	89.1	Confident	91.5	Very high	79 Å²	79	61.1 Å²	61.1	37%	0.369	29%	0.29	S	S	.	.			trans	-73.8	67.3	-173.6	-107.5	-58.6	137.5	0	0	112.9	L83 E86 F90 R91 L92	L83-E88 HydrophobicContact CD2-CB 4.01Å; L83-E88 PolarHBondContact O-N 2.73Å; E86-E88 VanDerWaalsContact C-N 3.27Å; E86-E88 PolarHBondContact O-N 3.14Å; E88-F90 VanDerWaalsContact C-N 3.25Å; E88-F90 PolarHBondContact O-N 3.47Å; E88-R91 HydrophobicContact CB-CB 4.4Å; E88-R91 PolarHBondContact O-N 3.02Å; E88-R91 WeakPolarHBondContact OE2-CD 3.5Å; E88-R91 WeakPolarHBondContact OE2-CG 3.38Å; E88-L92 WeakPolarHBondContact O-CB 3.39Å; E88-L92 PolarHBondContact O-N 3.29Å
89	L	87.5	Confident	91.5	Very high	84 Å²	84	57.6 Å²	57.6	44%	0.44	27%	0.271	S	S	.	.	H	α-helix	trans	-55	-33.7	-165.9	-58.6	-174.5	0	0	0	114.5	G87 R93 L120	G87-L89 VanDerWaalsContact C-N 3.26Å; G87-L89 WeakPolarHBondContact O-CG 3.36Å; G87-L89 PolarHBondContact O-N 2.99Å; L89-R93 WeakPolarHBondContact O-CB 3.13Å; L89-R93 PolarHBondContact O-N 3.01Å; L89-R93 VanDerWaalsContact O-N 3.14Å; L89-L120 HydrophobicContact CD1-CD1 4Å; L89-L120 HydrophobicContact CD1-CD2 3.71Å; L89-L120 HydrophobicContact CD2-CD1 4.32Å
90	F	88.4	Confident	91.4	Very high	146 Å²	146	57.7 Å²	57.7	64%	0.64	27%	0.272	S	S	*	.	H	α-helix	trans	-76.3	-49.4	-179.4	-178.1	-102.4	0	0	0	111.8	E88 L92 R93 K94	E88-F90 VanDerWaalsContact C-N 3.25Å; E88-F90 PolarHBondContact O-N 3.47Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-R93 PolarHBondContact O-N 2.76Å; F90-K94 WeakPolarHBondContact O-CB 3.49Å; F90-K94 PolarHBondContact O-N 3.43Å
91	R	91.7	Very high	91.1	Very high	54 Å²	54	62.2 Å²	62.2	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-43.9	174.2	-68.1	171.6	86.5	177.1	7.7	110.5	E56 I59 E63 L83 E88 R93 K94 A95	E56-R91 IonicContact OE1-CZ 3.29Å; E56-R91 IonicContact OE1-NH1 3.49Å; E56-R91 PolarHBondContact OE1-NH1 3.05Å; E56-R91 IonicContact OE1-NH2 2.79Å; E56-R91 PolarHBondContact OE1-NH2 3.5Å; E56-R91 IonicContact OE2-CZ 3.82Å; E56-R91 IonicContact OE2-NH1 3.8Å; E56-R91 PolarHBondContact OE2-NH1 2.91Å; E56-R91 IonicContact OE2-NH2 2.73Å; I59-R91 VanDerWaalsContact CG2-NH2 3.3Å; E63-R91 IonicContact OE2-CZ 2.8Å; E63-R91 IonicContact OE2-NE 2.69Å; E63-R91 IonicContact OE2-NH2 2.88Å; E63-R91 PolarHBondContact OE2-NH2 2.97Å; L83-R91 HydrophobicContact CD1-CB 4.03Å; L83-R91 HydrophobicContact CD2-CB 3.67Å; L83-R91 HydrophobicContact CG-CB 4.45Å; E88-R91 HydrophobicContact CB-CB 4.4Å; E88-R91 PolarHBondContact O-N 3.02Å; E88-R91 WeakPolarHBondContact OE2-CD 3.5Å; E88-R91 WeakPolarHBondContact OE2-CG 3.38Å; R91-R93 PolarHBondContact O-N 3.43Å; R91-K94 WeakPolarHBondContact O-CB 3.43Å; R91-K94 PolarHBondContact O-N 3.36Å; R91-K94 VanDerWaalsContact O-N 3.14Å; R91-A95 WeakPolarHBondContact O-CB 3.46Å; R91-A95 PolarHBondContact O-N 3.32Å
92	L	92.2	Very high	90.7	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-55.3	-47.7	176.3	178.1	59.7	0	0	0	112.6	I80 L83 K84 E88 F90 A95 R96	I80-L92 HydrophobicContact CB-CD1 4.48Å; I80-L92 HydrophobicContact CG2-CD1 3.89Å; I80-L92 VanDerWaalsContact O-CD1 3.26Å; I80-L92 WeakPolarHBondContact O-CD1 3.15Å; L83-L92 HydrophobicContact CB-CB 4.1Å; L83-L92 HydrophobicContact CB-CD1 4.16Å; K84-L92 HydrophobicContact CB-CD1 4Å; K84-L92 HydrophobicContact CB-CD2 3.9Å; K84-L92 HydrophobicContact CG-CD2 4.29Å; E88-L92 WeakPolarHBondContact O-CB 3.39Å; E88-L92 PolarHBondContact O-N 3.29Å; F90-L92 VanDerWaalsContact C-N 3.34Å; L92-A95 PolarHBondContact O-N 2.95Å; L92-R96 HydrophobicContact CD1-CG 4.39Å; L92-R96 WeakPolarHBondContact O-CB 3.07Å; L92-R96 WeakPolarHBondContact O-CG 3.43Å; L92-R96 PolarHBondContact O-N 2.9Å
93	R	91.8	Very high	90.3	Very high	83 Å²	83	60.1 Å²	60.1	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-41	176.9	-171.7	-178.5	-69.5	125.9	-5.9	111.5	L89 F90 R91 Q97 W113 E117	L89-R93 WeakPolarHBondContact O-CB 3.13Å; L89-R93 PolarHBondContact O-N 3.01Å; L89-R93 VanDerWaalsContact O-N 3.14Å; F90-R93 PolarHBondContact O-N 2.76Å; R91-R93 PolarHBondContact O-N 3.43Å; R93-Q97 WeakPolarHBondContact O-CB 3.44Å; R93-Q97 VanDerWaalsContact O-CG 3.25Å; R93-Q97 WeakPolarHBondContact O-CG 3.37Å; R93-Q97 PolarHBondContact O-N 3.46Å; R93-W113 HydrophobicContact CG-CZ2 4.4Å; R93-E117 IonicContact CZ-OE1 3.33Å; R93-E117 IonicContact CZ-OE2 3.26Å; R93-E117 IonicContact NE-OE1 3.17Å; R93-E117 PolarHBondContact NE-OE1 2.91Å; R93-E117 IonicContact NE-OE2 3.87Å; R93-E117 PolarHBondContact NE-OE2 2.97Å; R93-E117 IonicContact NH2-OE1 3.7Å; R93-E117 IonicContact NH2-OE2 3.66Å; R93-E117 PolarHBondContact NH2-OE2 2.94Å
94	K	92.3	Very high	90.1	Very high	113 Å²	113	60.6 Å²	60.6	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-40.4	177.8	-166.8	-179.7	-175.2	-177.6	0	112.2	F90 R91 K98	F90-K94 WeakPolarHBondContact O-CB 3.49Å; F90-K94 PolarHBondContact O-N 3.43Å; R91-K94 WeakPolarHBondContact O-CB 3.43Å; R91-K94 PolarHBondContact O-N 3.36Å; R91-K94 VanDerWaalsContact O-N 3.14Å; K94-K98 WeakPolarHBondContact O-CG 3.43Å; K94-K98 PolarHBondContact O-N 3.03Å; K94-K98 VanDerWaalsContact O-N 3.1Å
95	A	92.9	Very high	90.1	Very high	6 Å²	6	57.3 Å²	57.3	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-48.7	175.6	0	0	0	0	0	111.6	L79 I80 L83 R91 L92 Q97 K98 M99	L79-A95 HydrophobicContact CD2-CB 4.42Å; I80-A95 HydrophobicContact CG1-CB 3.81Å; L83-A95 HydrophobicContact CD1-CB 3.84Å; R91-A95 WeakPolarHBondContact O-CB 3.46Å; R91-A95 PolarHBondContact O-N 3.32Å; L92-A95 PolarHBondContact O-N 2.95Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; A95-Q97 PolarHBondContact O-N 2.91Å; A95-K98 PolarHBondContact O-N 3.49Å; A95-M99 PolarHBondContact O-N 3.23Å
96	R	94.1	Very high	90	Very high	8 Å²	8	54.5 Å²	54.5	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-39.7	175	-76.3	168.1	159.5	172.9	-7.1	112.9	I80 L92 S100 D112 W113 D116	I80-R96 HydrophobicContact CD1-CB 4.47Å; I80-R96 HydrophobicContact CD1-CG 3.85Å; I80-R96 HydrophobicContact CG1-CG 4.03Å; I80-R96 HydrophobicContact CG2-CG 3.86Å; L92-R96 HydrophobicContact CD1-CG 4.39Å; L92-R96 WeakPolarHBondContact O-CB 3.07Å; L92-R96 WeakPolarHBondContact O-CG 3.43Å; L92-R96 PolarHBondContact O-N 2.9Å; R96-S100 VanDerWaalsContact O-CB 3.3Å; R96-S100 WeakPolarHBondContact O-CB 3.16Å; R96-S100 PolarHBondContact O-N 3.18Å; R96-S100 PolarHBondContact O-OG 3.36Å; R96-D112 IonicContact CZ-OD2 2.67Å; R96-D112 IonicContact NH2-OD2 3.41Å; R96-D112 PolarHBondContact NH2-OD2 2.67Å; R96-W113 HydrophobicContact CB-CD2 3.83Å; R96-W113 HydrophobicContact CB-CE3 3.83Å; R96-W113 HydrophobicContact CB-CG 4.49Å; R96-W113 HydrophobicContact CB-CH2 4Å; R96-W113 HydrophobicContact CB-CZ2 4Å; R96-W113 HydrophobicContact CB-CZ3 3.9Å; R96-W113 HydrophobicContact CG-CD2 4.3Å; R96-W113 HydrophobicContact CG-CE3 4.48Å; R96-W113 HydrophobicContact CG-CG 4.48Å; R96-D116 IonicContact CZ-OD2 3.73Å; R96-D116 VanDerWaalsContact CZ-OD2 3.24Å; R96-D116 IonicContact NH1-OD2 3.87Å; R96-D116 PolarHBondContact NH1-OD2 2.94Å; R96-D116 IonicContact NH2-OD2 3.67Å; R96-D116 PolarHBondContact NH2-OD2 3.13Å
97	Q	93.3	Very high	90.1	Very high	73 Å²	73	53.4 Å²	53.4	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-56.7	173.4	-77.2	171.2	-11	0	0	111.6	R93 A95 M99 S100 E101 W113	R93-Q97 WeakPolarHBondContact O-CB 3.44Å; R93-Q97 VanDerWaalsContact O-CG 3.25Å; R93-Q97 WeakPolarHBondContact O-CG 3.37Å; R93-Q97 PolarHBondContact O-N 3.46Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; A95-Q97 PolarHBondContact O-N 2.91Å; Q97-M99 VanDerWaalsContact C-N 3.32Å; Q97-M99 PolarHBondContact O-N 2.74Å; Q97-S100 PolarHBondContact O-N 3.39Å; Q97-S100 VanDerWaalsContact O-N 3.1Å; Q97-S100 PolarHBondContact O-OG 3.3Å; Q97-E101 PolarHBondContact O-N 3.45Å; Q97-E101 VanDerWaalsContact O-N 3.08Å; Q97-W113 HydrophobicContact CB-CH2 4.46Å; Q97-W113 HydrophobicContact CG-CH2 3.7Å; Q97-W113 HydrophobicContact CG-CZ2 3.92Å
98	K	90.8	Very high	90.2	Very high	105 Å²	105	59 Å²	59	46%	0.457	27%	0.274	S	S	.	.	H	α-helix	trans	-50.6	-49.3	175.8	-73.9	177.1	175.3	-177.1	0	112.2	K94 A95 S100 E101 L102	K94-K98 WeakPolarHBondContact O-CG 3.43Å; K94-K98 PolarHBondContact O-N 3.03Å; K94-K98 VanDerWaalsContact O-N 3.1Å; A95-K98 PolarHBondContact O-N 3.49Å; K98-S100 PolarHBondContact O-N 3.05Å; K98-E101 PolarHBondContact O-N 3.18Å; K98-L102 PolarHBondContact O-N 3.42Å
99	M	91.5	Very high	90.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-45.9	179.7	-168.3	-165.1	-178	0	0	111.4	Y73 H76 V77 I80 A95 Q97 E101 L102 F103 L105	Y73-M99 HydrophobicContact CD2-CE 3.7Å; Y73-M99 HydrophobicContact CE1-CE 4.34Å; Y73-M99 HydrophobicContact CE2-CE 3.33Å; Y73-M99 HydrophobicContact CG-CE 4.35Å; H76-M99 HydrophobicContact CB-CB 4.13Å; H76-M99 HydrophobicContact CB-CE 4.21Å; H76-M99 HydrophobicContact CB-CG 3.66Å; H76-M99 HydrophobicContact CB-SD 3.9Å; V77-M99 HydrophobicContact CG2-CE 3.59Å; I80-M99 HydrophobicContact CD1-CB 3.96Å; I80-M99 HydrophobicContact CD1-CG 4.34Å; I80-M99 HydrophobicContact CD1-SD 3.55Å; I80-M99 VanDerWaalsContact CD1-SD 3.55Å; A95-M99 PolarHBondContact O-N 3.23Å; Q97-M99 VanDerWaalsContact C-N 3.32Å; Q97-M99 PolarHBondContact O-N 2.74Å; M99-E101 PolarHBondContact O-N 2.72Å; M99-L102 PolarHBondContact O-N 3.49Å; M99-F103 HydrophobicContact CG-CD2 4.14Å; M99-F103 PolarHBondContact O-N 2.57Å; M99-L105 HydrophobicContact CE-CD2 3.9Å; M99-L105 HydrophobicContact CG-CD2 3.82Å; M99-L105 HydrophobicContact SD-CD2 3.78Å
100	S	92.1	Very high	90.8	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-68.2	-18.9	-179.2	74.4	0	0	0	0	114.8	R96 Q97 K98 F103 R136 R352	R96-S100 VanDerWaalsContact O-CB 3.3Å; R96-S100 WeakPolarHBondContact O-CB 3.16Å; R96-S100 PolarHBondContact O-N 3.18Å; R96-S100 PolarHBondContact O-OG 3.36Å; Q97-S100 PolarHBondContact O-N 3.39Å; Q97-S100 VanDerWaalsContact O-N 3.1Å; Q97-S100 PolarHBondContact O-OG 3.3Å; K98-S100 PolarHBondContact O-N 3.05Å; S100-F103 CarbonylContact C-O 3.55Å; S100-R136 PolarHBondContact OG-NH2 2.84Å; S100-R352 PolarHBondContact O-NH2 3.42Å
101	E	88.4	Confident	91	Very high	111 Å²	111	47.4 Å²	47.4	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-80.7	-47.4	175.9	-79.2	146.3	-147.2	0	0	109.9	Q97 K98 M99 R136 R352	Q97-E101 PolarHBondContact O-N 3.45Å; Q97-E101 VanDerWaalsContact O-N 3.08Å; K98-E101 PolarHBondContact O-N 3.18Å; M99-E101 PolarHBondContact O-N 2.72Å; E101-R136 IonicContact OE1-CZ 3.31Å; E101-R136 IonicContact OE1-NH1 3Å; E101-R136 IonicContact OE1-NH2 2.69Å; E101-R136 PolarHBondContact OE1-NH2 2.83Å; E101-R352 PolarHBondContact O-NH2 3.43Å
102	L	83.5	Confident	91.2	Very high	62 Å²	62	48 Å²	48	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-70.2	-43.5	178.1	-62.5	169.9	0	0	0	112.8	A70 F71 K98 M99	A70-L102 HydrophobicContact CB-CD1 4.14Å; A70-L102 VanDerWaalsContact O-CD1 3.32Å; A70-L102 WeakPolarHBondContact O-CD1 3.49Å; F71-L102 HydrophobicContact CE1-CD2 4.06Å; K98-L102 PolarHBondContact O-N 3.42Å; M99-L102 PolarHBondContact O-N 3.49Å
103	F	84	Confident	91.3	Very high	33 Å²	33	47.8 Å²	47.8	15%	0.145	23%	0.227	C	C	.	.	S	Bend	trans	-120.8	140.3	-170.9	-59.9	-74	0	0	0	113	F71 Y73 H76 M99 S100 L105 R352	F71-F103 HydrophobicContact CB-CZ 4.49Å; F71-F103 WeakPolarHBondContact O-CZ 3.5Å; Y73-F103 HydrophobicContact CD2-CB 4.31Å; Y73-F103 HydrophobicContact CD2-CD1 4.01Å; Y73-F103 HydrophobicContact CD2-CD2 4.18Å; Y73-F103 HydrophobicContact CD2-CE1 4.37Å; Y73-F103 AromaticContact CD2-CG 3.9Å; Y73-F103 HydrophobicContact CD2-CG 3.9Å; Y73-F103 HydrophobicContact CE2-CB 4.48Å; H76-F103 AromaticContact CD2-CE2 3.77Å; H76-F103 AromaticContact NE2-CE2 3.99Å; M99-F103 HydrophobicContact CG-CD2 4.14Å; M99-F103 PolarHBondContact O-N 2.57Å; S100-F103 CarbonylContact C-O 3.55Å; F103-L105 HydrophobicContact CB-CD2 4.24Å; F103-L105 PolarHBondContact O-N 2.89Å; F103-R352 VanDerWaalsContact C-NH2 3.26Å; F103-R352 PolarHBondContact O-NH2 3.09Å; F103-R352 VanDerWaalsContact O-NH2 3.12Å
104	P	89.4	Confident	91.4	Very high	10 Å²	10	43.9 Å²	43.9	7%	0.065	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-70.3	118.6	164.4	-15.1	30.9	0	0	0	110.2	D140 Y141 R352	P104-D140 VanDerWaalsContact CA-CG 3.44Å; P104-D140 WeakPolarHBondContact CA-OD2 3.44Å; P104-D140 HydrophobicContact CB-CB 3.88Å; P104-Y141 HydrophobicContact CB-CE2 3.94Å; P104-Y141 PolarHBondContact O-OH 3.24Å; P104-R352 HydrophobicContact CG-CB 3.72Å
105	L	90.4	Very high	91.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-88.4	150.4	-173.3	-45.9	-179.3	0	0	0	112	M99 F103 I109 W110 D140 Y141	M99-L105 HydrophobicContact CE-CD2 3.9Å; M99-L105 HydrophobicContact CG-CD2 3.82Å; M99-L105 HydrophobicContact SD-CD2 3.78Å; F103-L105 HydrophobicContact CB-CD2 4.24Å; F103-L105 PolarHBondContact O-N 2.89Å; L105-I109 HydrophobicContact CB-CB 4.3Å; L105-I109 HydrophobicContact CB-CG2 4.2Å; L105-I109 HydrophobicContact CD1-CG2 3.97Å; L105-W110 HydrophobicContact CB-CD2 4.38Å; L105-W110 HydrophobicContact CB-CG 4.25Å; L105-W110 HydrophobicContact CD1-CD2 4.31Å; L105-W110 HydrophobicContact CD1-CH2 4.4Å; L105-W110 HydrophobicContact CD1-CZ2 4.12Å; L105-W110 HydrophobicContact CG-CZ2 4.31Å; L105-W110 VanDerWaalsContact O-CD1 3.28Å; L105-W110 PolarHBondContact O-NE1 3.21Å; L105-D140 PolarHBondContact N-OD2 3.21Å; L105-Y141 VanDerWaalsContact O-CD2 3.26Å; L105-Y141 WeakPolarHBondContact O-CD2 3.49Å; L105-Y141 VanDerWaalsContact O-CE2 3.26Å; L105-Y141 WeakPolarHBondContact O-CE2 3.37Å
106	T	89.2	Confident	91.3	Very high	53 Å²	53	42.9 Å²	42.9	33%	0.325	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-70.1	161	179.8	65.9	0	0	0	0	112.2	E108 I109 W110	T106-E108 PolarHBondContact O-N 3.01Å; T106-E108 VanDerWaalsContact O-N 3.17Å; T106-I109 PolarHBondContact O-N 2.82Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.45Å; T106-I109 PolarHBondContact OG1-N 3.4Å; T106-W110 PolarHBondContact O-N 2.98Å
107	E	92.2	Very high	91.1	Very high	41 Å²	41	43.7 Å²	43.7	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-53.5	-35.2	174.9	178.9	160.2	-128.7	0	0	111.7	L111 C143 P144 D145 I146 K184	E107-L111 HydrophobicContact CG-CD1 3.99Å; E107-L111 VanDerWaalsContact O-CB 3.27Å; E107-L111 WeakPolarHBondContact O-CB 3.47Å; E107-L111 WeakPolarHBondContact O-CD1 3.42Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 3.44Å; E107-C143 HydrophobicContact CB-CB 4.48Å; E107-C143 HydrophobicContact CG-CB 4.23Å; E107-C143 WeakPolarHBondContact OE1-CA 3.37Å; E107-C143 WeakPolarHBondContact OE1-CB 3.25Å; E107-P144 VanDerWaalsContact OE1-N 3.11Å; E107-D145 WeakPolarHBondContact OE1-CB 3.42Å; E107-D145 PolarHBondContact OE1-N 2.89Å; E107-I146 HydrophobicContact CG-CD1 4.24Å; E107-I146 HydrophobicContact CG-CG1 4.19Å; E107-I146 PolarHBondContact OE1-N 3.11Å; E107-K184 IonicContact OE2-NZ 2.68Å; E107-K184 PolarHBondContact OE2-NZ 2.6Å
108	E	90.3	Very high	91	Very high	161 Å²	161	42.1 Å²	42.1	75%	0.752	21%	0.205	S	C	*	.	H	α-helix	trans	-70.1	-47	178.5	-60.2	-177.4	163.5	0	0	113.2	T106 L111 D112	T106-E108 PolarHBondContact O-N 3.01Å; T106-E108 VanDerWaalsContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 2.65Å; E108-D112 PolarHBondContact O-N 2.86Å
109	I	91.8	Very high	90.9	Very high	42 Å²	42	46.3 Å²	46.3	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-42.1	-178.7	-63.9	169	0	0	0	110.5	Y73 L105 T106 D112 W113	Y73-I109 WeakPolarHBondContact OH-CD1 3.22Å; L105-I109 HydrophobicContact CB-CB 4.3Å; L105-I109 HydrophobicContact CB-CG2 4.2Å; L105-I109 HydrophobicContact CD1-CG2 3.97Å; T106-I109 PolarHBondContact O-N 2.82Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.45Å; T106-I109 PolarHBondContact OG1-N 3.4Å; I109-D112 PolarHBondContact O-N 3.1Å; I109-W113 PolarHBondContact O-N 2.71Å; I109-W113 VanDerWaalsContact O-N 3.12Å
110	W	95.7	Very high	90.5	Very high	6 Å²	6	49.8 Å²	49.8	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-45.6	173.4	-84.8	124.8	0	0	0	111.7	L105 T106 D112 W113 L114 L133 R136 A137 D140 I146	L105-W110 HydrophobicContact CB-CD2 4.38Å; L105-W110 HydrophobicContact CB-CG 4.25Å; L105-W110 HydrophobicContact CD1-CD2 4.31Å; L105-W110 HydrophobicContact CD1-CH2 4.4Å; L105-W110 HydrophobicContact CD1-CZ2 4.12Å; L105-W110 HydrophobicContact CG-CZ2 4.31Å; L105-W110 VanDerWaalsContact O-CD1 3.28Å; L105-W110 PolarHBondContact O-NE1 3.21Å; T106-W110 PolarHBondContact O-N 2.98Å; W110-D112 VanDerWaalsContact C-N 3.33Å; W110-D112 PolarHBondContact O-N 2.85Å; W110-W113 AromaticContact CE3-CE3 3.85Å; W110-W113 HydrophobicContact CE3-CE3 3.85Å; W110-W113 HydrophobicContact CE3-CZ3 4.27Å; W110-W113 HydrophobicContact CH2-CE3 4.28Å; W110-W113 AromaticContact CH2-CZ3 3.87Å; W110-W113 HydrophobicContact CH2-CZ3 3.87Å; W110-W113 HydrophobicContact CZ3-CD2 4.47Å; W110-W113 AromaticContact CZ3-CE3 3.43Å; W110-W113 HydrophobicContact CZ3-CE3 3.43Å; W110-W113 VanDerWaalsContact CZ3-CE3 3.43Å; W110-W113 HydrophobicContact CZ3-CH2 4.41Å; W110-W113 AromaticContact CZ3-CZ3 3.4Å; W110-W113 HydrophobicContact CZ3-CZ3 3.4Å; W110-W113 VanDerWaalsContact CZ3-CZ3 3.4Å; W110-W113 PolarHBondContact O-N 3.3Å; W110-L114 WeakPolarHBondContact O-CB 3.37Å; W110-L114 WeakPolarHBondContact O-CD1 3.34Å; W110-L114 WeakPolarHBondContact O-CG 3.42Å; W110-L114 PolarHBondContact O-N 3.23Å; W110-L133 HydrophobicContact CZ3-CD1 3.79Å; W110-R136 HydrophobicContact CH2-CB 3.81Å; W110-R136 HydrophobicContact CZ2-CB 4.42Å; W110-R136 HydrophobicContact CZ3-CB 4.31Å; W110-A137 HydrophobicContact CB-CB 4.09Å; W110-A137 HydrophobicContact CD2-CB 3.54Å; W110-A137 HydrophobicContact CE3-CB 3.67Å; W110-A137 HydrophobicContact CG-CB 3.74Å; W110-A137 HydrophobicContact CZ3-CB 4.33Å; W110-D140 WeakPolarHBondContact CZ2-OD2 3.48Å; W110-D140 PolarHBondContact NE1-OD2 2.85Å; W110-I146 HydrophobicContact CB-CD1 3.47Å; W110-I146 VanDerWaalsContact CB-CD1 3.47Å; W110-I146 HydrophobicContact CG-CD1 4.21Å
111	L	94.6	Very high	89.9	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-36.6	177.4	-79.8	171.9	0	0	0	112.8	E107 E108 K115 D145 I146 E149	E107-L111 HydrophobicContact CG-CD1 3.99Å; E107-L111 VanDerWaalsContact O-CB 3.27Å; E107-L111 WeakPolarHBondContact O-CB 3.47Å; E107-L111 WeakPolarHBondContact O-CD1 3.42Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 3.44Å; E108-L111 PolarHBondContact O-N 2.65Å; L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.39Å; L111-K115 VanDerWaalsContact O-CD 3.28Å; L111-K115 WeakPolarHBondContact O-CD 3.35Å; L111-K115 WeakPolarHBondContact O-CG 3.35Å; L111-K115 PolarHBondContact O-N 3.46Å; L111-D145 HydrophobicContact CD1-CB 4.1Å; L111-I146 HydrophobicContact CD1-CG1 4.38Å; L111-I146 HydrophobicContact CD2-CB 4.49Å; L111-I146 HydrophobicContact CD2-CG1 3.74Å; L111-I146 HydrophobicContact CG-CD1 4.46Å; L111-I146 HydrophobicContact CG-CG1 3.65Å; L111-E149 HydrophobicContact CD2-CB 4.1Å; L111-E149 HydrophobicContact CD2-CG 4.36Å
112	D	93.9	Very high	88.8	Confident	66 Å²	66	54.5 Å²	54.5	35%	0.353	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-45.9	176.9	-174.1	65.4	0	0	0	111.8	K84 R96 E108 I109 W110 K115 D116	K84-D112 IonicContact NZ-OD1 3.43Å; K84-D112 PolarHBondContact NZ-OD1 3.07Å; K84-D112 IonicContact NZ-OD2 2.69Å; K84-D112 PolarHBondContact NZ-OD2 3.12Å; R96-D112 IonicContact CZ-OD2 2.67Å; R96-D112 IonicContact NH2-OD2 3.41Å; R96-D112 PolarHBondContact NH2-OD2 2.67Å; E108-D112 PolarHBondContact O-N 2.86Å; I109-D112 PolarHBondContact O-N 3.1Å; W110-D112 VanDerWaalsContact C-N 3.33Å; W110-D112 PolarHBondContact O-N 2.85Å; D112-K115 PolarHBondContact O-N 3.47Å; D112-D116 PolarHBondContact O-N 3.06Å
113	W	94.6	Very high	87.6	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.011	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-48.6	175	-175.1	9.2	0	0	0	111.9	R93 R96 Q97 I109 W110 K115 D116 E117 L133	R93-W113 HydrophobicContact CG-CZ2 4.4Å; R96-W113 HydrophobicContact CB-CD2 3.83Å; R96-W113 HydrophobicContact CB-CE3 3.83Å; R96-W113 HydrophobicContact CB-CG 4.49Å; R96-W113 HydrophobicContact CB-CH2 4Å; R96-W113 HydrophobicContact CB-CZ2 4Å; R96-W113 HydrophobicContact CB-CZ3 3.9Å; R96-W113 HydrophobicContact CG-CD2 4.3Å; R96-W113 HydrophobicContact CG-CE3 4.48Å; R96-W113 HydrophobicContact CG-CG 4.48Å; Q97-W113 HydrophobicContact CB-CH2 4.46Å; Q97-W113 HydrophobicContact CG-CH2 3.7Å; Q97-W113 HydrophobicContact CG-CZ2 3.92Å; I109-W113 PolarHBondContact O-N 2.71Å; I109-W113 VanDerWaalsContact O-N 3.12Å; W110-W113 AromaticContact CE3-CE3 3.85Å; W110-W113 HydrophobicContact CE3-CE3 3.85Å; W110-W113 HydrophobicContact CE3-CZ3 4.27Å; W110-W113 HydrophobicContact CH2-CE3 4.28Å; W110-W113 AromaticContact CH2-CZ3 3.87Å; W110-W113 HydrophobicContact CH2-CZ3 3.87Å; W110-W113 HydrophobicContact CZ3-CD2 4.47Å; W110-W113 AromaticContact CZ3-CE3 3.43Å; W110-W113 HydrophobicContact CZ3-CE3 3.43Å; W110-W113 VanDerWaalsContact CZ3-CE3 3.43Å; W110-W113 HydrophobicContact CZ3-CH2 4.41Å; W110-W113 AromaticContact CZ3-CZ3 3.4Å; W110-W113 HydrophobicContact CZ3-CZ3 3.4Å; W110-W113 VanDerWaalsContact CZ3-CZ3 3.4Å; W110-W113 PolarHBondContact O-N 3.3Å; W113-K115 VanDerWaalsContact C-N 3.27Å; W113-K115 PolarHBondContact O-N 3.29Å; W113-D116 PolarHBondContact O-N 2.69Å; W113-D116 VanDerWaalsContact O-N 3.15Å; W113-E117 VanDerWaalsContact CD1-CG 3.48Å; W113-E117 PolarHBondContact NE1-OE1 3.29Å; W113-E117 WeakPolarHBondContact O-CG 3.4Å; W113-E117 PolarHBondContact O-N 3.49Å; W113-E117 VanDerWaalsContact O-N 3.1Å; W113-L133 HydrophobicContact CD2-CD1 4.06Å; W113-L133 HydrophobicContact CD2-CD2 4.12Å; W113-L133 HydrophobicContact CE3-CD1 4.07Å; W113-L133 HydrophobicContact CG-CD2 4.2Å; W113-L133 HydrophobicContact CH2-CD1 3.73Å; W113-L133 HydrophobicContact CZ2-CD1 3.7Å; W113-L133 HydrophobicContact CZ2-CD2 4.45Å; W113-L133 HydrophobicContact CZ3-CD1 3.92Å
114	L	94.3	Very high	86.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.2	-42.1	177.3	-74	162.4	0	0	0	111.5	W110 D116 E117 I118 L133 F134 A137 I146	W110-L114 WeakPolarHBondContact O-CB 3.37Å; W110-L114 WeakPolarHBondContact O-CD1 3.34Å; W110-L114 WeakPolarHBondContact O-CG 3.42Å; W110-L114 PolarHBondContact O-N 3.23Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-D116 PolarHBondContact O-N 2.7Å; L114-E117 PolarHBondContact O-N 3.43Å; L114-I118 VanDerWaalsContact O-CB 3.3Å; L114-I118 WeakPolarHBondContact O-CB 3.49Å; L114-I118 WeakPolarHBondContact O-CD1 3.42Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 2.77Å; L114-L133 HydrophobicContact CD2-CB 4.12Å; L114-L133 HydrophobicContact CD2-CD2 3.92Å; L114-L133 HydrophobicContact CD2-CG 3.8Å; L114-L133 HydrophobicContact CG-CD2 4.49Å; L114-F134 HydrophobicContact CD1-CD1 3.71Å; L114-F134 HydrophobicContact CD1-CE1 3.62Å; L114-F134 HydrophobicContact CD1-CZ 4.44Å; L114-F134 HydrophobicContact CD2-CD1 3.69Å; L114-F134 HydrophobicContact CD2-CD2 4Å; L114-F134 HydrophobicContact CD2-CE1 3.82Å; L114-F134 HydrophobicContact CD2-CE2 4.09Å; L114-F134 HydrophobicContact CD2-CG 3.8Å; L114-F134 HydrophobicContact CD2-CZ 4.01Å; L114-F134 HydrophobicContact CG-CD1 4.35Å; L114-F134 HydrophobicContact CG-CE1 4.21Å; L114-A137 HydrophobicContact CD1-CB 4.07Å; L114-I146 HydrophobicContact CD1-CG1 4.46Å; L114-I146 HydrophobicContact CD1-CG2 4.03Å
115	K	92.6	Very high	85.3	Confident	74 Å²	74	65 Å²	65	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-68.8	-28.1	180	-76.4	164.9	-171.1	166.9	0	113.8	L111 D112 W113 R119 E149	L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.39Å; L111-K115 VanDerWaalsContact O-CD 3.28Å; L111-K115 WeakPolarHBondContact O-CD 3.35Å; L111-K115 WeakPolarHBondContact O-CG 3.35Å; L111-K115 PolarHBondContact O-N 3.46Å; D112-K115 PolarHBondContact O-N 3.47Å; W113-K115 VanDerWaalsContact C-N 3.27Å; W113-K115 PolarHBondContact O-N 3.29Å; K115-R119 WeakPolarHBondContact O-CD 3.45Å; K115-R119 WeakPolarHBondContact O-CG 3.43Å; K115-R119 PolarHBondContact O-N 2.95Å; K115-R119 PolarHBondContact O-NE 2.91Å; K115-E149 WeakPolarHBondContact CE-OE2 3.47Å; K115-E149 IonicContact NZ-OE2 2.96Å
116	D	90.9	Very high	84.6	Confident	25 Å²	25	67.2 Å²	67.2	13%	0.134	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-49.9	172.6	-63.3	-24.5	0	0	0	110.6	K84 R96 D112 W113 L114 I118 R119 L120	K84-D116 WeakPolarHBondContact CE-OD2 3.48Å; K84-D116 IonicContact NZ-OD1 2.77Å; K84-D116 PolarHBondContact NZ-OD1 2.73Å; K84-D116 IonicContact NZ-OD2 3.38Å; K84-D116 PolarHBondContact NZ-OD2 3.46Å; R96-D116 IonicContact CZ-OD2 3.73Å; R96-D116 VanDerWaalsContact CZ-OD2 3.24Å; R96-D116 IonicContact NH1-OD2 3.87Å; R96-D116 PolarHBondContact NH1-OD2 2.94Å; R96-D116 IonicContact NH2-OD2 3.67Å; R96-D116 PolarHBondContact NH2-OD2 3.13Å; D112-D116 PolarHBondContact O-N 3.06Å; W113-D116 PolarHBondContact O-N 2.69Å; W113-D116 VanDerWaalsContact O-N 3.15Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-D116 PolarHBondContact O-N 2.7Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 3.46Å; D116-R119 WeakPolarHBondContact O-CB 3.48Å; D116-R119 PolarHBondContact O-N 3.11Å; D116-L120 WeakPolarHBondContact O-CG 3.44Å; D116-L120 PolarHBondContact O-N 3.19Å; D116-L120 VanDerWaalsContact O-N 3.07Å
117	E	90.8	Very high	84.4	Confident	25 Å²	25	66.5 Å²	66.5	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-37.5	-178.5	-60	-79.4	-166.1	0	0	111.7	R93 W113 L114 R119 L120 T121 V130 L133	R93-E117 IonicContact CZ-OE1 3.33Å; R93-E117 IonicContact CZ-OE2 3.26Å; R93-E117 IonicContact NE-OE1 3.17Å; R93-E117 PolarHBondContact NE-OE1 2.91Å; R93-E117 IonicContact NE-OE2 3.87Å; R93-E117 PolarHBondContact NE-OE2 2.97Å; R93-E117 IonicContact NH2-OE1 3.7Å; R93-E117 IonicContact NH2-OE2 3.66Å; R93-E117 PolarHBondContact NH2-OE2 2.94Å; W113-E117 VanDerWaalsContact CD1-CG 3.48Å; W113-E117 PolarHBondContact NE1-OE1 3.29Å; W113-E117 WeakPolarHBondContact O-CG 3.4Å; W113-E117 PolarHBondContact O-N 3.49Å; W113-E117 VanDerWaalsContact O-N 3.1Å; L114-E117 PolarHBondContact O-N 3.43Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.23Å; E117-L120 PolarHBondContact O-N 3.12Å; E117-T121 PolarHBondContact O-N 3.4Å; E117-T121 PolarHBondContact O-OG1 3.4Å; E117-V130 HydrophobicContact CB-CG2 4.34Å; E117-L133 HydrophobicContact CB-CD2 4.24Å; E117-L133 HydrophobicContact CG-CD2 3.74Å
118	I	90.1	Very high	84.2	Confident	39 Å²	39	69.1 Å²	69.1	20%	0.2	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-37.6	173	-73	166.7	0	0	0	111.8	L114 D116 T121 V130 F134 E149 Y153	L114-I118 VanDerWaalsContact O-CB 3.3Å; L114-I118 WeakPolarHBondContact O-CB 3.49Å; L114-I118 WeakPolarHBondContact O-CD1 3.42Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 2.77Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 3.46Å; I118-T121 PolarHBondContact O-N 3.26Å; I118-V130 HydrophobicContact CD1-CG1 4.47Å; I118-V130 HydrophobicContact CG1-CG1 3.77Å; I118-F134 HydrophobicContact CD1-CE2 4.18Å; I118-F134 HydrophobicContact CD1-CZ 3.93Å; I118-E149 HydrophobicContact CD1-CG 4.35Å; I118-Y153 HydrophobicContact CB-CD2 4.48Å; I118-Y153 HydrophobicContact CB-CE2 4.31Å; I118-Y153 HydrophobicContact CD1-CD2 4.02Å; I118-Y153 HydrophobicContact CD1-CG 4.3Å; I118-Y153 HydrophobicContact CG1-CD2 3.78Å; I118-Y153 HydrophobicContact CG1-CE2 3.78Å; I118-Y153 HydrophobicContact CG1-CG 4.39Å; I118-Y153 HydrophobicContact CG2-CD2 3.95Å; I118-Y153 HydrophobicContact CG2-CE2 3.98Å
119	R	87.9	Confident	84.2	Confident	193 Å²	193	67.3 Å²	67.3	73%	0.728	32%	0.324	S	S	*	.	H	α-helix	trans	-71.4	-33.1	176.6	-69.3	166.4	-162.2	-160	7.5	112.3	K115 D116 E117 T121	K115-R119 WeakPolarHBondContact O-CD 3.45Å; K115-R119 WeakPolarHBondContact O-CG 3.43Å; K115-R119 PolarHBondContact O-N 2.95Å; K115-R119 PolarHBondContact O-NE 2.91Å; D116-R119 WeakPolarHBondContact O-CB 3.48Å; D116-R119 PolarHBondContact O-N 3.11Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.23Å; R119-T121 PolarHBondContact O-N 2.8Å
120	L	84.1	Confident	84.2	Confident	75 Å²	75	65.6 Å²	65.6	39%	0.393	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.9	177.1	-62.2	170.2	0	0	0	113.1	L89 D116 E117 E122	L89-L120 HydrophobicContact CD1-CD1 4Å; L89-L120 HydrophobicContact CD1-CD2 3.71Å; L89-L120 HydrophobicContact CD2-CD1 4.32Å; D116-L120 WeakPolarHBondContact O-CG 3.44Å; D116-L120 PolarHBondContact O-N 3.19Å; D116-L120 VanDerWaalsContact O-N 3.07Å; E117-L120 PolarHBondContact O-N 3.12Å; L120-E122 PolarHBondContact O-N 3.34Å
121	T	80.3	Confident	84.1	Confident	28 Å²	28	65.9 Å²	65.9	17%	0.172	32%	0.316	C	S	.	.			trans	-87.5	83.2	-179	-50.9	0	0	0	0	111.8	E117 I118 R119 E123 N126 V130	E117-T121 PolarHBondContact O-N 3.4Å; E117-T121 PolarHBondContact O-OG1 3.4Å; I118-T121 PolarHBondContact O-N 3.26Å; R119-T121 PolarHBondContact O-N 2.8Å; T121-E123 WeakPolarHBondContact CG2-O 3.43Å; T121-N126 HydrophobicContact CG2-CB 4.02Å; T121-V130 WeakPolarHBondContact OG1-CG2 3.32Å
122	E	64.2	Low	84.1	Confident	189 Å²	189	71.2 Å²	71.2	88%	0.883	34%	0.341	S	S	*	.			trans	-85	-19.9	173	-60.7	-159.8	149.3	0	0	114	L120	L120-E122 PolarHBondContact O-N 3.34Å
123	E	59.4	Low	84.1	Confident	124 Å²	124	68.8 Å²	68.8	58%	0.579	33%	0.328	S	S	*	.	S	Bend	trans	-118.2	147.8	-179.2	-68.7	-167.6	164.2	0	0	113.6	T121 S125 N126	T121-E123 WeakPolarHBondContact CG2-O 3.43Å; E123-S125 VanDerWaalsContact CB-OG 3.31Å; E123-S125 WeakPolarHBondContact CB-OG 3.39Å; E123-S125 PolarHBondContact O-N 3.49Å; E123-S125 WeakPolarHBondContact OE2-CB 3.16Å; E123-S125 PolarHBondContact OE2-OG 3.07Å; E123-N126 PolarHBondContact O-N 2.9Å; E123-N126 VanDerWaalsContact O-N 3.13Å
124	D	59.7	Low	84.2	Confident	133 Å²	133	68.6 Å²	68.6	71%	0.711	33%	0.327	S	S	*	.	H	α-helix	trans	-57.5	-27.2	169.2	-75.9	-42.5	0	0	0	113.1	N126 R127	D124-N126 PolarHBondContact O-N 3.3Å; D124-R127 WeakPolarHBondContact O-CB 3.19Å; D124-R127 PolarHBondContact O-N 3.34Å; D124-R127 VanDerWaalsContact O-N 3.09Å
125	S	65.4	Low	84.2	Confident	69 Å²	69	71.2 Å²	71.2	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-29.1	176.4	70.6	0	0	0	0	113.3	E123	E123-S125 VanDerWaalsContact CB-OG 3.31Å; E123-S125 WeakPolarHBondContact CB-OG 3.39Å; E123-S125 PolarHBondContact O-N 3.49Å; E123-S125 WeakPolarHBondContact OE2-CB 3.16Å; E123-S125 PolarHBondContact OE2-OG 3.07Å
126	N	75.7	Confident	84.3	Confident	47 Å²	47	71.6 Å²	71.6	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-94.4	-10.3	-179.2	-68.7	-51.5	0	0	0	112.7	T121 E123 D124 E128 K129 V130	T121-N126 HydrophobicContact CG2-CB 4.02Å; E123-N126 PolarHBondContact O-N 2.9Å; E123-N126 VanDerWaalsContact O-N 3.13Å; D124-N126 PolarHBondContact O-N 3.3Å; N126-E128 PolarHBondContact O-N 3.33Å; N126-K129 WeakPolarHBondContact O-CB 3.48Å; N126-K129 PolarHBondContact O-N 3.05Å; N126-K129 WeakPolarHBondContact OD1-CE 3.5Å; N126-K129 PolarHBondContact OD1-NZ 2.64Å; N126-V130 PolarHBondContact O-N 2.73Å
127	R	84.4	Confident	84.5	Confident	38 Å²	38	70.4 Å²	70.4	14%	0.143	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-40.6	-177.9	-171.6	173.2	-139.5	85.3	16.2	113.3	D124 K129 V130 Y131 Y153	D124-R127 WeakPolarHBondContact O-CB 3.19Å; D124-R127 PolarHBondContact O-N 3.34Å; D124-R127 VanDerWaalsContact O-N 3.09Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 3.47Å; R127-V130 PolarHBondContact O-N 2.86Å; R127-Y131 WeakPolarHBondContact CD-OH 3.43Å; R127-Y131 HydrophobicContact CG-CD2 4.45Å; R127-Y131 HydrophobicContact CG-CE1 4.28Å; R127-Y131 HydrophobicContact CG-CE2 3.82Å; R127-Y131 PolarHBondContact NE-OH 3.18Å; R127-Y131 VanDerWaalsContact NE-OH 3.17Å; R127-Y131 PolarHBondContact O-N 2.94Å; R127-Y153 HydrophobicContact CG-CE1 3.88Å; R127-Y153 PolarHBondContact NH2-O 3.3Å
128	E	88.1	Confident	84.8	Confident	95 Å²	95	70.4 Å²	70.4	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-32.4	178.4	-64.9	-64.2	139.9	0	0	111.8	N126 V130 Y131 E132 K166	N126-E128 PolarHBondContact O-N 3.33Å; E128-V130 VanDerWaalsContact C-N 3.32Å; E128-V130 PolarHBondContact O-N 2.88Å; E128-Y131 CarbonylContact O-C 3.32Å; E128-Y131 WeakPolarHBondContact O-CB 3.37Å; E128-Y131 PolarHBondContact O-N 3.25Å; E128-Y131 VanDerWaalsContact O-N 3.14Å; E128-Y131 WeakPolarHBondContact OE1-CD2 3.39Å; E128-Y131 WeakPolarHBondContact OE1-CE2 3.47Å; E128-Y131 WeakPolarHBondContact OE2-CD2 3.36Å; E128-E132 WeakPolarHBondContact O-CG 3.49Å; E128-E132 PolarHBondContact O-N 3.31Å; E128-K166 IonicContact OE1-NZ 2.92Å; E128-K166 PolarHBondContact OE1-NZ 2.97Å; E128-K166 IonicContact OE2-NZ 2.7Å; E128-K166 PolarHBondContact OE2-NZ 2.94Å
129	K	89.9	Confident	84.9	Confident	123 Å²	123	74.8 Å²	74.8	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-38	173.1	-56.3	174.8	-173	166.7	0	111.9	N126 R127 E132 L133	N126-K129 WeakPolarHBondContact O-CB 3.48Å; N126-K129 PolarHBondContact O-N 3.05Å; N126-K129 WeakPolarHBondContact OD1-CE 3.5Å; N126-K129 PolarHBondContact OD1-NZ 2.64Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 3.47Å; K129-E132 PolarHBondContact O-N 3.39Å; K129-L133 PolarHBondContact O-N 3.46Å
130	V	92.5	Very high	85.1	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-37.2	173.9	177.8	0	0	0	0	110.9	E117 I118 T121 N126 R127 E128 L133 F134 Y153	E117-V130 HydrophobicContact CB-CG2 4.34Å; I118-V130 HydrophobicContact CD1-CG1 4.47Å; I118-V130 HydrophobicContact CG1-CG1 3.77Å; T121-V130 WeakPolarHBondContact OG1-CG2 3.32Å; N126-V130 PolarHBondContact O-N 2.73Å; R127-V130 PolarHBondContact O-N 2.86Å; E128-V130 VanDerWaalsContact C-N 3.32Å; E128-V130 PolarHBondContact O-N 2.88Å; V130-L133 WeakPolarHBondContact O-CB 3.3Å; V130-L133 PolarHBondContact O-N 3.46Å; V130-F134 HydrophobicContact CG1-CD2 3.98Å; V130-F134 HydrophobicContact CG1-CE2 3.74Å; V130-F134 VanDerWaalsContact O-CD2 3.22Å; V130-F134 WeakPolarHBondContact O-CD2 3.41Å; V130-F134 PolarHBondContact O-N 3.32Å; V130-Y153 HydrophobicContact CB-CE1 3.81Å; V130-Y153 HydrophobicContact CG1-CD1 4.03Å; V130-Y153 HydrophobicContact CG1-CE1 3.48Å; V130-Y153 VanDerWaalsContact CG1-CE1 3.48Å; V130-Y153 HydrophobicContact CG1-CE2 4.34Å
131	Y	93.1	Very high	85.6	Confident	13 Å²	13	63.7 Å²	63.7	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-42.2	170.8	-62	-31.8	0	0	0	112.2	R127 E128 L133 F134 E135 Y150 Y153 K166	R127-Y131 WeakPolarHBondContact CD-OH 3.43Å; R127-Y131 HydrophobicContact CG-CD2 4.45Å; R127-Y131 HydrophobicContact CG-CE1 4.28Å; R127-Y131 HydrophobicContact CG-CE2 3.82Å; R127-Y131 PolarHBondContact NE-OH 3.18Å; R127-Y131 VanDerWaalsContact NE-OH 3.17Å; R127-Y131 PolarHBondContact O-N 2.94Å; E128-Y131 CarbonylContact O-C 3.32Å; E128-Y131 WeakPolarHBondContact O-CB 3.37Å; E128-Y131 PolarHBondContact O-N 3.25Å; E128-Y131 VanDerWaalsContact O-N 3.14Å; E128-Y131 WeakPolarHBondContact OE1-CD2 3.39Å; E128-Y131 WeakPolarHBondContact OE1-CE2 3.47Å; E128-Y131 WeakPolarHBondContact OE2-CD2 3.36Å; Y131-L133 PolarHBondContact O-N 3.11Å; Y131-F134 WeakPolarHBondContact O-CB 3.43Å; Y131-F134 PolarHBondContact O-N 2.79Å; Y131-E135 WeakPolarHBondContact O-CG 3.34Å; Y131-E135 PolarHBondContact O-N 3.29Å; Y131-Y150 HydrophobicContact CD1-CD2 4.27Å; Y131-Y150 AromaticContact CD1-CE2 3.6Å; Y131-Y150 HydrophobicContact CD1-CE2 3.6Å; Y131-Y150 HydrophobicContact CE1-CE2 4.21Å; Y131-Y150 HydrophobicContact CG-CE2 4.29Å; Y131-Y153 AromaticContact CD1-CD1 3.93Å; Y131-Y153 HydrophobicContact CD1-CD1 3.93Å; Y131-Y153 AromaticContact CD1-CE1 3.9Å; Y131-Y153 HydrophobicContact CD1-CE1 3.9Å; Y131-Y153 AromaticContact CE1-CD1 3.53Å; Y131-Y153 HydrophobicContact CE1-CD1 3.53Å; Y131-Y153 AromaticContact CE1-CE1 3.63Å; Y131-Y153 HydrophobicContact CE1-CE1 3.63Å; Y131-K166 HydrophobicContact CE2-CD 4.29Å
132	E	93.8	Very high	86.3	Confident	130 Å²	130	63.3 Å²	63.3	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-59.3	-34.6	173	-71.7	172.2	175.3	0	0	112.3	E128 K129 E135 R136	E128-E132 WeakPolarHBondContact O-CG 3.49Å; E128-E132 PolarHBondContact O-N 3.31Å; K129-E132 PolarHBondContact O-N 3.39Å; E132-E135 PolarHBondContact O-N 3.11Å; E132-R136 PolarHBondContact O-N 3.25Å; E132-R136 VanDerWaalsContact O-N 3.13Å
133	L	94.8	Very high	87.8	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-41.6	174.5	-168.6	61.3	0	0	0	112.2	W110 W113 L114 E117 K129 V130 Y131 E135 R136 A137	W110-L133 HydrophobicContact CZ3-CD1 3.79Å; W113-L133 HydrophobicContact CD2-CD1 4.06Å; W113-L133 HydrophobicContact CD2-CD2 4.12Å; W113-L133 HydrophobicContact CE3-CD1 4.07Å; W113-L133 HydrophobicContact CG-CD2 4.2Å; W113-L133 HydrophobicContact CH2-CD1 3.73Å; W113-L133 HydrophobicContact CZ2-CD1 3.7Å; W113-L133 HydrophobicContact CZ2-CD2 4.45Å; W113-L133 HydrophobicContact CZ3-CD1 3.92Å; L114-L133 HydrophobicContact CD2-CB 4.12Å; L114-L133 HydrophobicContact CD2-CD2 3.92Å; L114-L133 HydrophobicContact CD2-CG 3.8Å; L114-L133 HydrophobicContact CG-CD2 4.49Å; E117-L133 HydrophobicContact CB-CD2 4.24Å; E117-L133 HydrophobicContact CG-CD2 3.74Å; K129-L133 PolarHBondContact O-N 3.46Å; V130-L133 WeakPolarHBondContact O-CB 3.3Å; V130-L133 PolarHBondContact O-N 3.46Å; Y131-L133 PolarHBondContact O-N 3.11Å; L133-E135 VanDerWaalsContact C-N 3.31Å; L133-E135 PolarHBondContact O-N 2.67Å; L133-R136 WeakPolarHBondContact O-CB 3.36Å; L133-R136 PolarHBondContact O-N 3.33Å; L133-R136 VanDerWaalsContact O-N 3.13Å; L133-A137 PolarHBondContact O-N 3.31Å
134	F	96.3	Very high	89.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-40.5	169.6	-80.2	-68.4	0	0	0	111.7	L114 I118 V130 Y131 R136 A137 V138 I146 E149 Y150 Y153	L114-F134 HydrophobicContact CD1-CD1 3.71Å; L114-F134 HydrophobicContact CD1-CE1 3.62Å; L114-F134 HydrophobicContact CD1-CZ 4.44Å; L114-F134 HydrophobicContact CD2-CD1 3.69Å; L114-F134 HydrophobicContact CD2-CD2 4Å; L114-F134 HydrophobicContact CD2-CE1 3.82Å; L114-F134 HydrophobicContact CD2-CE2 4.09Å; L114-F134 HydrophobicContact CD2-CG 3.8Å; L114-F134 HydrophobicContact CD2-CZ 4.01Å; L114-F134 HydrophobicContact CG-CD1 4.35Å; L114-F134 HydrophobicContact CG-CE1 4.21Å; I118-F134 HydrophobicContact CD1-CE2 4.18Å; I118-F134 HydrophobicContact CD1-CZ 3.93Å; V130-F134 HydrophobicContact CG1-CD2 3.98Å; V130-F134 HydrophobicContact CG1-CE2 3.74Å; V130-F134 VanDerWaalsContact O-CD2 3.22Å; V130-F134 WeakPolarHBondContact O-CD2 3.41Å; V130-F134 PolarHBondContact O-N 3.32Å; Y131-F134 WeakPolarHBondContact O-CB 3.43Å; Y131-F134 PolarHBondContact O-N 2.79Å; F134-R136 PolarHBondContact O-N 3.31Å; F134-A137 PolarHBondContact O-N 3.41Å; F134-A137 VanDerWaalsContact O-N 3.16Å; F134-V138 WeakPolarHBondContact O-CG1 3.26Å; F134-V138 WeakPolarHBondContact O-CG2 3.35Å; F134-V138 PolarHBondContact O-N 3.28Å; F134-I146 HydrophobicContact CD1-CG2 3.94Å; F134-I146 HydrophobicContact CE1-CG2 4.27Å; F134-E149 HydrophobicContact CE1-CB 4.29Å; F134-E149 HydrophobicContact CE1-CG 4.38Å; F134-E149 HydrophobicContact CZ-CB 4.43Å; F134-E149 HydrophobicContact CZ-CG 4.13Å; F134-Y150 HydrophobicContact CB-CD1 3.83Å; F134-Y150 HydrophobicContact CB-CD2 3.75Å; F134-Y150 HydrophobicContact CB-CE1 3.91Å; F134-Y150 HydrophobicContact CB-CE2 3.84Å; F134-Y150 HydrophobicContact CB-CG 3.76Å; F134-Y150 VanDerWaalsContact CD1-CB 3.46Å; F134-Y150 HydrophobicContact CD1-CD1 4.31Å; F134-Y150 HydrophobicContact CD1-CD2 4.08Å; F134-Y150 AromaticContact CD1-CG 3.72Å; F134-Y150 HydrophobicContact CD1-CG 3.72Å; F134-Y150 AromaticContact CD2-CD2 3.46Å; F134-Y150 HydrophobicContact CD2-CD2 3.46Å; F134-Y150 VanDerWaalsContact CD2-CD2 3.46Å; F134-Y150 AromaticContact CD2-CE2 3.98Å; F134-Y150 HydrophobicContact CD2-CE2 3.98Å; F134-Y150 AromaticContact CD2-CG 3.99Å; F134-Y150 HydrophobicContact CD2-CG 3.99Å; F134-Y150 VanDerWaalsContact CE1-CA 3.48Å; F134-Y150 HydrophobicContact CE1-CG 4.23Å; F134-Y150 AromaticContact CE2-CD2 4Å; F134-Y150 HydrophobicContact CE2-CD2 4Å; F134-Y150 HydrophobicContact CE2-CG 4.49Å; F134-Y150 HydrophobicContact CG-CD1 4.14Å; F134-Y150 AromaticContact CG-CD2 3.52Å; F134-Y150 HydrophobicContact CG-CD2 3.52Å; F134-Y150 HydrophobicContact CG-CE2 4.06Å; F134-Y150 AromaticContact CG-CG 3.57Å; F134-Y150 HydrophobicContact CG-CG 3.57Å; F134-Y150 HydrophobicContact CZ-CD2 4.5Å; F134-Y153 HydrophobicContact CD2-CD1 4.5Å; F134-Y153 AromaticContact CE2-CD1 3.82Å; F134-Y153 HydrophobicContact CE2-CD1 3.82Å; F134-Y153 HydrophobicContact CE2-CG 4.12Å
135	E	95.6	Very high	91.2	Very high	54 Å²	54	45.4 Å²	45.4	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-16.3	175.4	-67.9	-68.9	175.8	0	0	114.1	Y131 E132 L133 K139 Y150 R173	Y131-E135 WeakPolarHBondContact O-CG 3.34Å; Y131-E135 PolarHBondContact O-N 3.29Å; E132-E135 PolarHBondContact O-N 3.11Å; L133-E135 VanDerWaalsContact C-N 3.31Å; L133-E135 PolarHBondContact O-N 2.67Å; E135-K139 VanDerWaalsContact O-CD 3.29Å; E135-K139 WeakPolarHBondContact O-CD 3.42Å; E135-K139 WeakPolarHBondContact O-CE 3.37Å; E135-K139 PolarHBondContact O-NZ 3.05Å; E135-Y150 PolarHBondContact OE1-OH 2.64Å; E135-R173 VanDerWaalsContact CD-NH2 3.3Å; E135-R173 IonicContact OE1-CZ 3.47Å; E135-R173 VanDerWaalsContact OE1-CZ 3.32Å; E135-R173 IonicContact OE1-NH1 3.88Å; E135-R173 PolarHBondContact OE1-NH1 2.56Å; E135-R173 IonicContact OE1-NH2 3.48Å; E135-R173 PolarHBondContact OE1-NH2 3.47Å; E135-R173 VanDerWaalsContact OE1-NH2 3.1Å; E135-R173 IonicContact OE2-CZ 2.78Å; E135-R173 IonicContact OE2-NH1 2.77Å; E135-R173 IonicContact OE2-NH2 3.59Å; E135-R173 PolarHBondContact OE2-NH2 2.89Å
136	R	94.6	Very high	92.7	Very high	82 Å²	82	42.1 Å²	42.1	31%	0.309	19%	0.194	S	C	.	.	H	α-helix	trans	-82	-52.5	165	-68.9	168.8	72	140.2	0.8	109.9	S100 E101 W110 E132 L133 F134 V138 K139	S100-R136 PolarHBondContact OG-NH2 2.84Å; E101-R136 IonicContact OE1-CZ 3.31Å; E101-R136 IonicContact OE1-NH1 3Å; E101-R136 IonicContact OE1-NH2 2.69Å; E101-R136 PolarHBondContact OE1-NH2 2.83Å; W110-R136 HydrophobicContact CH2-CB 3.81Å; W110-R136 HydrophobicContact CZ2-CB 4.42Å; W110-R136 HydrophobicContact CZ3-CB 4.31Å; E132-R136 PolarHBondContact O-N 3.25Å; E132-R136 VanDerWaalsContact O-N 3.13Å; L133-R136 WeakPolarHBondContact O-CB 3.36Å; L133-R136 PolarHBondContact O-N 3.33Å; L133-R136 VanDerWaalsContact O-N 3.13Å; F134-R136 PolarHBondContact O-N 3.31Å; R136-V138 VanDerWaalsContact C-N 3.34Å; R136-V138 PolarHBondContact O-N 2.83Å; R136-K139 WeakPolarHBondContact O-CB 3.45Å; R136-K139 PolarHBondContact O-N 3.03Å; R136-K139 VanDerWaalsContact O-N 3.17Å
137	A	95.2	Very high	93.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-39.7	-172.8	0	0	0	0	0	114.3	W110 L114 L133 F134 K139 I146	W110-A137 HydrophobicContact CB-CB 4.09Å; W110-A137 HydrophobicContact CD2-CB 3.54Å; W110-A137 HydrophobicContact CE3-CB 3.67Å; W110-A137 HydrophobicContact CG-CB 3.74Å; W110-A137 HydrophobicContact CZ3-CB 4.33Å; L114-A137 HydrophobicContact CD1-CB 4.07Å; L133-A137 PolarHBondContact O-N 3.31Å; F134-A137 PolarHBondContact O-N 3.41Å; F134-A137 VanDerWaalsContact O-N 3.16Å; A137-K139 PolarHBondContact O-N 3.16Å; A137-K139 VanDerWaalsContact O-N 3.1Å; A137-I146 HydrophobicContact CB-CD1 4.28Å; A137-I146 HydrophobicContact CB-CG2 4.1Å
138	V	95.4	Very high	94.2	Very high	25 Å²	25	39.8 Å²	39.8	15%	0.152	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	5.7	-178.2	-58	0	0	0	0	115.2	F134 R136 I146 W147	F134-V138 WeakPolarHBondContact O-CG1 3.26Å; F134-V138 WeakPolarHBondContact O-CG2 3.35Å; F134-V138 PolarHBondContact O-N 3.28Å; R136-V138 VanDerWaalsContact C-N 3.34Å; R136-V138 PolarHBondContact O-N 2.83Å; V138-I146 HydrophobicContact CG1-CG2 3.94Å; V138-W147 HydrophobicContact CB-CH2 4.38Å; V138-W147 HydrophobicContact CB-CZ2 3.69Å; V138-W147 HydrophobicContact CG1-CD2 4.02Å; V138-W147 HydrophobicContact CG1-CE3 4.45Å; V138-W147 HydrophobicContact CG1-CH2 4.22Å; V138-W147 HydrophobicContact CG1-CZ2 3.76Å; V138-W147 HydrophobicContact CG2-CH2 4.18Å; V138-W147 HydrophobicContact CG2-CZ2 3.85Å
139	K	93.5	Very high	94.6	Very high	130 Å²	130	37.7 Å²	37.7	57%	0.565	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-25.9	-177.5	-68.2	173.5	177.1	144.4	0	115	E135 R136 A137 R349	E135-K139 VanDerWaalsContact O-CD 3.29Å; E135-K139 WeakPolarHBondContact O-CD 3.42Å; E135-K139 WeakPolarHBondContact O-CE 3.37Å; E135-K139 PolarHBondContact O-NZ 3.05Å; R136-K139 WeakPolarHBondContact O-CB 3.45Å; R136-K139 PolarHBondContact O-N 3.03Å; R136-K139 VanDerWaalsContact O-N 3.17Å; A137-K139 PolarHBondContact O-N 3.16Å; A137-K139 VanDerWaalsContact O-N 3.1Å; K139-R349 VanDerWaalsContact O-CD 3.26Å; K139-R349 WeakPolarHBondContact O-CD 3.2Å; K139-R349 PolarHBondContact O-NE 3.13Å
140	D	92.3	Very high	94.9	Very high	7 Å²	7	32 Å²	32	4%	0.037	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-53.1	-175.4	-75.2	-27.2	0	0	0	111.5	P104 L105 W110 R349 R352	P104-D140 VanDerWaalsContact CA-CG 3.44Å; P104-D140 WeakPolarHBondContact CA-OD2 3.44Å; P104-D140 HydrophobicContact CB-CB 3.88Å; L105-D140 PolarHBondContact N-OD2 3.21Å; W110-D140 WeakPolarHBondContact CZ2-OD2 3.48Å; W110-D140 PolarHBondContact NE1-OD2 2.85Å; D140-R349 PolarHBondContact O-NE 3.4Å; D140-R349 PolarHBondContact O-NH2 3.05Å; D140-R352 IonicContact OD1-CZ 2.72Å; D140-R352 IonicContact OD1-NH1 3.4Å; D140-R352 PolarHBondContact OD1-NH1 3.24Å
141	Y	94	Very high	95	Very high	28 Å²	28	31.8 Å²	31.8	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-141.9	167.4	-177	-53.6	-75.5	0	0	0	112.2	P104 L105 C143 C320 N353	P104-Y141 HydrophobicContact CB-CE2 3.94Å; P104-Y141 PolarHBondContact O-OH 3.24Å; L105-Y141 VanDerWaalsContact O-CD2 3.26Å; L105-Y141 WeakPolarHBondContact O-CD2 3.49Å; L105-Y141 VanDerWaalsContact O-CE2 3.26Å; L105-Y141 WeakPolarHBondContact O-CE2 3.37Å; Y141-C143 PolarHBondContact O-N 3.15Å; Y141-C143 PolarHBondContact O-SG 3.16Å; Y141-C320 HydrophobicContact CE1-CB 3.57Å; Y141-N353 PolarHBondContact OH-OD1 3.14Å
142	I	94.4	Very high	94.9	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.108	16%	0.157	C	C	.	.			trans	-62.3	121	164.1	174.7	154.2	0	0	0	110.4	P144 V178 I310 E313 A317	I142-P144 HydrophobicContact CG1-CG 4.23Å; I142-V178 HydrophobicContact CD1-CB 4.18Å; I142-V178 HydrophobicContact CD1-CG1 3.73Å; I142-V178 HydrophobicContact CG1-CB 4.47Å; I142-V178 HydrophobicContact CG1-CG1 3.64Å; I142-I310 HydrophobicContact CD1-CD1 3.37Å; I142-I310 HydrophobicContact CD1-CG1 4.33Å; I142-E313 HydrophobicContact CB-CB 4.08Å; I142-E313 VanDerWaalsContact CG2-C 3.44Å; I142-E313 HydrophobicContact CG2-CB 3.85Å; I142-E313 VanDerWaalsContact CG2-O 3.26Å; I142-E313 WeakPolarHBondContact CG2-O 3.22Å; I142-A317 HydrophobicContact CG2-CB 3.83Å
143	C	95.3	Very high	94.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	13%	0.132	C	C	.	.			trans	-139	77.3	-170.9	48.9	0	0	0	0	112.5	E107 Y141 D145 I146 W147	E107-C143 HydrophobicContact CB-CB 4.48Å; E107-C143 HydrophobicContact CG-CB 4.23Å; E107-C143 WeakPolarHBondContact OE1-CA 3.37Å; E107-C143 WeakPolarHBondContact OE1-CB 3.25Å; Y141-C143 PolarHBondContact O-N 3.15Å; Y141-C143 PolarHBondContact O-SG 3.16Å; C143-D145 VanDerWaalsContact C-N 3.26Å; C143-D145 PolarHBondContact O-N 3.35Å; C143-I146 HydrophobicContact CB-CB 3.87Å; C143-I146 HydrophobicContact CB-CD1 3.71Å; C143-I146 HydrophobicContact CB-CG1 4.02Å; C143-I146 PolarHBondContact O-N 3.32Å; C143-W147 VanDerWaalsContact O-CD1 3.27Å; C143-W147 PolarHBondContact O-N 3.39Å
144	P	95.3	Very high	94.7	Very high	5 Å²	5	28 Å²	28	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-27.3	-176.3	-23	37	0	0	0	114.3	E107 I142 L148 V178 K184 L188	E107-P144 VanDerWaalsContact OE1-N 3.11Å; I142-P144 HydrophobicContact CG1-CG 4.23Å; P144-L148 WeakPolarHBondContact O-CB 3.48Å; P144-L148 PolarHBondContact O-N 3.24Å; P144-V178 HydrophobicContact CB-CB 4.37Å; P144-V178 HydrophobicContact CB-CG2 3.96Å; P144-V178 HydrophobicContact CG-CB 4.05Å; P144-V178 HydrophobicContact CG-CG1 4.12Å; P144-V178 HydrophobicContact CG-CG2 4.2Å; P144-K184 HydrophobicContact CB-CB 3.84Å; P144-K184 HydrophobicContact CB-CD 3.86Å; P144-K184 HydrophobicContact CG-CB 3.93Å; P144-K184 HydrophobicContact CG-CD 3.69Å; P144-K184 HydrophobicContact CG-CG 4.45Å; P144-L188 HydrophobicContact CB-CD1 4.34Å
145	D	95.6	Very high	94.4	Very high	61 Å²	61	28.7 Å²	28.7	33%	0.326	13%	0.132	S	C	.	.	H	α-helix	trans	-82.3	-30.7	-179.8	-61.5	-52.6	0	0	0	111.3	E107 L111 C143 L148 E149 K184	E107-D145 WeakPolarHBondContact OE1-CB 3.42Å; E107-D145 PolarHBondContact OE1-N 2.89Å; L111-D145 HydrophobicContact CD1-CB 4.1Å; C143-D145 VanDerWaalsContact C-N 3.26Å; C143-D145 PolarHBondContact O-N 3.35Å; D145-L148 PolarHBondContact O-N 2.82Å; D145-E149 WeakPolarHBondContact O-CB 3.43Å; D145-E149 PolarHBondContact O-N 3.01Å; D145-K184 WeakPolarHBondContact OD2-CE 3.29Å; D145-K184 IonicContact OD2-NZ 3.91Å; D145-K184 PolarHBondContact OD2-NZ 3.43Å
146	I	96.7	Very high	94	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-44.4	167	-67	173.3	0	0	0	110.7	E107 W110 L111 L114 F134 A137 V138 C143 L148 E149 Y150	E107-I146 HydrophobicContact CG-CD1 4.24Å; E107-I146 HydrophobicContact CG-CG1 4.19Å; E107-I146 PolarHBondContact OE1-N 3.11Å; W110-I146 HydrophobicContact CB-CD1 3.47Å; W110-I146 VanDerWaalsContact CB-CD1 3.47Å; W110-I146 HydrophobicContact CG-CD1 4.21Å; L111-I146 HydrophobicContact CD1-CG1 4.38Å; L111-I146 HydrophobicContact CD2-CB 4.49Å; L111-I146 HydrophobicContact CD2-CG1 3.74Å; L111-I146 HydrophobicContact CG-CD1 4.46Å; L111-I146 HydrophobicContact CG-CG1 3.65Å; L114-I146 HydrophobicContact CD1-CG1 4.46Å; L114-I146 HydrophobicContact CD1-CG2 4.03Å; F134-I146 HydrophobicContact CD1-CG2 3.94Å; F134-I146 HydrophobicContact CE1-CG2 4.27Å; A137-I146 HydrophobicContact CB-CD1 4.28Å; A137-I146 HydrophobicContact CB-CG2 4.1Å; V138-I146 HydrophobicContact CG1-CG2 3.94Å; C143-I146 HydrophobicContact CB-CB 3.87Å; C143-I146 HydrophobicContact CB-CD1 3.71Å; C143-I146 HydrophobicContact CB-CG1 4.02Å; C143-I146 PolarHBondContact O-N 3.32Å; I146-L148 VanDerWaalsContact C-N 3.25Å; I146-L148 PolarHBondContact O-N 2.88Å; I146-E149 PolarHBondContact O-N 3.29Å; I146-Y150 VanDerWaalsContact O-CB 3.3Å; I146-Y150 WeakPolarHBondContact O-CB 3.48Å; I146-Y150 PolarHBondContact O-N 2.89Å
147	W	97.3	Very high	93.5	Very high	13 Å²	13	25.4 Å²	25.4	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-35	175.1	-84.1	112.3	0	0	0	112.6	V138 C143 Y150 A151 I170 R173 A174 A177 L188	V138-W147 HydrophobicContact CB-CH2 4.38Å; V138-W147 HydrophobicContact CB-CZ2 3.69Å; V138-W147 HydrophobicContact CG1-CD2 4.02Å; V138-W147 HydrophobicContact CG1-CE3 4.45Å; V138-W147 HydrophobicContact CG1-CH2 4.22Å; V138-W147 HydrophobicContact CG1-CZ2 3.76Å; V138-W147 HydrophobicContact CG2-CH2 4.18Å; V138-W147 HydrophobicContact CG2-CZ2 3.85Å; C143-W147 VanDerWaalsContact O-CD1 3.27Å; C143-W147 PolarHBondContact O-N 3.39Å; W147-Y150 AromaticContact CE3-CD1 3.87Å; W147-Y150 HydrophobicContact CE3-CD1 3.87Å; W147-Y150 AromaticContact CZ3-CD1 3.7Å; W147-Y150 HydrophobicContact CZ3-CD1 3.7Å; W147-Y150 AromaticContact CZ3-CE1 3.91Å; W147-Y150 HydrophobicContact CZ3-CE1 3.91Å; W147-A151 WeakPolarHBondContact O-CB 3.32Å; W147-A151 PolarHBondContact O-N 3.14Å; W147-I170 HydrophobicContact CE3-CG2 4.49Å; W147-I170 HydrophobicContact CZ3-CG2 4.35Å; W147-R173 HydrophobicContact CH2-CB 3.72Å; W147-R173 HydrophobicContact CZ3-CB 3.89Å; W147-A174 HydrophobicContact CB-CB 3.86Å; W147-A174 HydrophobicContact CD2-CB 3.8Å; W147-A174 HydrophobicContact CE3-CB 3.6Å; W147-A174 HydrophobicContact CG-CB 3.94Å; W147-A174 HydrophobicContact CZ3-CB 4.42Å; W147-A177 HydrophobicContact CZ2-CB 4.38Å; W147-L188 HydrophobicContact CB-CD1 3.95Å; W147-L188 HydrophobicContact CB-CD2 4.4Å
148	L	95.2	Very high	93	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.115	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-47.6	175.7	-169.5	73.8	0	0	0	111.7	P144 D145 I146 A151 Q152 T187 L188 A191	P144-L148 WeakPolarHBondContact O-CB 3.48Å; P144-L148 PolarHBondContact O-N 3.24Å; D145-L148 PolarHBondContact O-N 2.82Å; I146-L148 VanDerWaalsContact C-N 3.25Å; I146-L148 PolarHBondContact O-N 2.88Å; L148-A151 PolarHBondContact O-N 3.16Å; L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 WeakPolarHBondContact O-CG 3.29Å; L148-Q152 PolarHBondContact O-N 3.15Å; L148-T187 HydrophobicContact CD1-CG2 4.16Å; L148-T187 HydrophobicContact CD2-CG2 3.92Å; L148-L188 HydrophobicContact CB-CD2 4.21Å; L148-L188 HydrophobicContact CD1-CD2 3.89Å; L148-L188 HydrophobicContact CD1-CG 4.18Å; L148-A191 HydrophobicContact CD1-CB 3.73Å
149	E	95.6	Very high	92.2	Very high	51 Å²	51	30.9 Å²	30.9	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-40.8	175.8	-167.8	79.6	-117.8	0	0	111.2	L111 K115 I118 F134 D145 I146 Q152 Y153	L111-E149 HydrophobicContact CD2-CB 4.1Å; L111-E149 HydrophobicContact CD2-CG 4.36Å; K115-E149 WeakPolarHBondContact CE-OE2 3.47Å; K115-E149 IonicContact NZ-OE2 2.96Å; I118-E149 HydrophobicContact CD1-CG 4.35Å; F134-E149 HydrophobicContact CE1-CB 4.29Å; F134-E149 HydrophobicContact CE1-CG 4.38Å; F134-E149 HydrophobicContact CZ-CB 4.43Å; F134-E149 HydrophobicContact CZ-CG 4.13Å; D145-E149 WeakPolarHBondContact O-CB 3.43Å; D145-E149 PolarHBondContact O-N 3.01Å; I146-E149 PolarHBondContact O-N 3.29Å; E149-Q152 PolarHBondContact O-N 3.24Å; E149-Y153 VanDerWaalsContact O-CB 3.29Å; E149-Y153 WeakPolarHBondContact O-CB 3.36Å; E149-Y153 PolarHBondContact O-N 2.67Å
150	Y	96.2	Very high	91.8	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-47	176.4	-170.9	-169	0	0	0	111.6	Y131 F134 E135 I146 W147 Y153 S154 I170	Y131-Y150 HydrophobicContact CD1-CD2 4.27Å; Y131-Y150 AromaticContact CD1-CE2 3.6Å; Y131-Y150 HydrophobicContact CD1-CE2 3.6Å; Y131-Y150 HydrophobicContact CE1-CE2 4.21Å; Y131-Y150 HydrophobicContact CG-CE2 4.29Å; F134-Y150 HydrophobicContact CB-CD1 3.83Å; F134-Y150 HydrophobicContact CB-CD2 3.75Å; F134-Y150 HydrophobicContact CB-CE1 3.91Å; F134-Y150 HydrophobicContact CB-CE2 3.84Å; F134-Y150 HydrophobicContact CB-CG 3.76Å; F134-Y150 VanDerWaalsContact CD1-CB 3.46Å; F134-Y150 HydrophobicContact CD1-CD1 4.31Å; F134-Y150 HydrophobicContact CD1-CD2 4.08Å; F134-Y150 AromaticContact CD1-CG 3.72Å; F134-Y150 HydrophobicContact CD1-CG 3.72Å; F134-Y150 AromaticContact CD2-CD2 3.46Å; F134-Y150 HydrophobicContact CD2-CD2 3.46Å; F134-Y150 VanDerWaalsContact CD2-CD2 3.46Å; F134-Y150 AromaticContact CD2-CE2 3.98Å; F134-Y150 HydrophobicContact CD2-CE2 3.98Å; F134-Y150 AromaticContact CD2-CG 3.99Å; F134-Y150 HydrophobicContact CD2-CG 3.99Å; F134-Y150 VanDerWaalsContact CE1-CA 3.48Å; F134-Y150 HydrophobicContact CE1-CG 4.23Å; F134-Y150 AromaticContact CE2-CD2 4Å; F134-Y150 HydrophobicContact CE2-CD2 4Å; F134-Y150 HydrophobicContact CE2-CG 4.49Å; F134-Y150 HydrophobicContact CG-CD1 4.14Å; F134-Y150 AromaticContact CG-CD2 3.52Å; F134-Y150 HydrophobicContact CG-CD2 3.52Å; F134-Y150 HydrophobicContact CG-CE2 4.06Å; F134-Y150 AromaticContact CG-CG 3.57Å; F134-Y150 HydrophobicContact CG-CG 3.57Å; F134-Y150 HydrophobicContact CZ-CD2 4.5Å; E135-Y150 PolarHBondContact OE1-OH 2.64Å; I146-Y150 VanDerWaalsContact O-CB 3.3Å; I146-Y150 WeakPolarHBondContact O-CB 3.48Å; I146-Y150 PolarHBondContact O-N 2.89Å; W147-Y150 AromaticContact CE3-CD1 3.87Å; W147-Y150 HydrophobicContact CE3-CD1 3.87Å; W147-Y150 AromaticContact CZ3-CD1 3.7Å; W147-Y150 HydrophobicContact CZ3-CD1 3.7Å; W147-Y150 AromaticContact CZ3-CE1 3.91Å; W147-Y150 HydrophobicContact CZ3-CE1 3.91Å; Y150-Y153 PolarHBondContact O-N 3.06Å; Y150-S154 WeakPolarHBondContact O-CB 3.46Å; Y150-S154 PolarHBondContact O-N 3.26Å; Y150-I170 HydrophobicContact CD1-CG2 3.79Å; Y150-I170 HydrophobicContact CD2-CD1 4.13Å; Y150-I170 HydrophobicContact CD2-CG2 4.16Å; Y150-I170 HydrophobicContact CE1-CD1 4.5Å; Y150-I170 HydrophobicContact CE1-CG1 4.14Å; Y150-I170 HydrophobicContact CE1-CG2 4.05Å; Y150-I170 HydrophobicContact CE2-CD1 3.54Å; Y150-I170 HydrophobicContact CE2-CG1 4.08Å; Y150-I170 HydrophobicContact CE2-CG2 4.39Å; Y150-I170 HydrophobicContact CG-CG2 3.84Å
151	A	94.1	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-46.5	176.6	0	0	0	0	0	111.5	W147 L148 S154 I155 I170 F171	W147-A151 WeakPolarHBondContact O-CB 3.32Å; W147-A151 PolarHBondContact O-N 3.14Å; L148-A151 PolarHBondContact O-N 3.16Å; A151-S154 PolarHBondContact O-N 2.91Å; A151-S154 PolarHBondContact O-OG 2.78Å; A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 2.87Å; A151-I170 HydrophobicContact CB-CG2 4.28Å; A151-F171 HydrophobicContact CB-CD1 3.85Å; A151-F171 HydrophobicContact CB-CD2 4.39Å; A151-F171 HydrophobicContact CB-CE1 3.54Å; A151-F171 HydrophobicContact CB-CE2 4.11Å; A151-F171 HydrophobicContact CB-CG 4.28Å; A151-F171 HydrophobicContact CB-CZ 3.69Å
152	Q	91.5	Very high	90.9	Very high	57 Å²	57	35 Å²	35	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-61.1	-45.4	176.7	-72.1	-179.6	36.7	0	0	112.5	L148 E149 S154 I155	L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 WeakPolarHBondContact O-CG 3.29Å; L148-Q152 PolarHBondContact O-N 3.15Å; E149-Q152 PolarHBondContact O-N 3.24Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.19Å; Q152-I155 WeakPolarHBondContact O-CB 3.38Å; Q152-I155 PolarHBondContact O-N 2.64Å
153	Y	92.5	Very high	90.6	Very high	22 Å²	22	34.3 Å²	34.3	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-36.6	176.3	-178.7	-103.7	0	0	0	112	I118 R127 V130 Y131 F134 E149 Y150 I155 G156	I118-Y153 HydrophobicContact CB-CD2 4.48Å; I118-Y153 HydrophobicContact CB-CE2 4.31Å; I118-Y153 HydrophobicContact CD1-CD2 4.02Å; I118-Y153 HydrophobicContact CD1-CG 4.3Å; I118-Y153 HydrophobicContact CG1-CD2 3.78Å; I118-Y153 HydrophobicContact CG1-CE2 3.78Å; I118-Y153 HydrophobicContact CG1-CG 4.39Å; I118-Y153 HydrophobicContact CG2-CD2 3.95Å; I118-Y153 HydrophobicContact CG2-CE2 3.98Å; R127-Y153 HydrophobicContact CG-CE1 3.88Å; R127-Y153 PolarHBondContact NH2-O 3.3Å; V130-Y153 HydrophobicContact CB-CE1 3.81Å; V130-Y153 HydrophobicContact CG1-CD1 4.03Å; V130-Y153 HydrophobicContact CG1-CE1 3.48Å; V130-Y153 VanDerWaalsContact CG1-CE1 3.48Å; V130-Y153 HydrophobicContact CG1-CE2 4.34Å; Y131-Y153 AromaticContact CD1-CD1 3.93Å; Y131-Y153 HydrophobicContact CD1-CD1 3.93Å; Y131-Y153 AromaticContact CD1-CE1 3.9Å; Y131-Y153 HydrophobicContact CD1-CE1 3.9Å; Y131-Y153 AromaticContact CE1-CD1 3.53Å; Y131-Y153 HydrophobicContact CE1-CD1 3.53Å; Y131-Y153 AromaticContact CE1-CE1 3.63Å; Y131-Y153 HydrophobicContact CE1-CE1 3.63Å; F134-Y153 HydrophobicContact CD2-CD1 4.5Å; F134-Y153 AromaticContact CE2-CD1 3.82Å; F134-Y153 HydrophobicContact CE2-CD1 3.82Å; F134-Y153 HydrophobicContact CE2-CG 4.12Å; E149-Y153 VanDerWaalsContact O-CB 3.29Å; E149-Y153 WeakPolarHBondContact O-CB 3.36Å; E149-Y153 PolarHBondContact O-N 2.67Å; Y150-Y153 PolarHBondContact O-N 3.06Å; Y153-I155 VanDerWaalsContact C-N 3.33Å; Y153-I155 PolarHBondContact O-N 3.49Å; Y153-G156 PolarHBondContact O-N 3.32Å
154	S	92.1	Very high	90.3	Very high	1 Å²	1	37 Å²	37	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-34.2	177	78.5	0	0	0	0	113.2	Y150 A151 Q152 G156 G157 V167 I170	Y150-S154 WeakPolarHBondContact O-CB 3.46Å; Y150-S154 PolarHBondContact O-N 3.26Å; A151-S154 PolarHBondContact O-N 2.91Å; A151-S154 PolarHBondContact O-OG 2.78Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.19Å; S154-G156 PolarHBondContact O-N 3.45Å; S154-G157 PolarHBondContact O-N 2.7Å; S154-V167 WeakPolarHBondContact O-CG2 3.42Å; S154-I170 VanDerWaalsContact CB-CD1 3.46Å
155	I	90.4	Very high	90.2	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-32.7	176.2	-66.1	164.7	0	0	0	111	A151 Q152 Y153 G157 M158 V167 F171 F195 L889	A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 2.87Å; Q152-I155 WeakPolarHBondContact O-CB 3.38Å; Q152-I155 PolarHBondContact O-N 2.64Å; Y153-I155 VanDerWaalsContact C-N 3.33Å; Y153-I155 PolarHBondContact O-N 3.49Å; I155-G157 PolarHBondContact O-N 3.32Å; I155-G157 VanDerWaalsContact O-N 3.17Å; I155-M158 HydrophobicContact CG2-SD 4.05Å; I155-M158 VanDerWaalsContact O-CB 3.3Å; I155-M158 WeakPolarHBondContact O-CB 3.38Å; I155-M158 VanDerWaalsContact O-CG 3.22Å; I155-M158 WeakPolarHBondContact O-CG 3.47Å; I155-M158 PolarHBondContact O-N 3.47Å; I155-V167 HydrophobicContact CG1-CG1 3.81Å; I155-V167 HydrophobicContact CG1-CG2 4.45Å; I155-F171 HydrophobicContact CD1-CE2 4.26Å; I155-F171 HydrophobicContact CD1-CZ 4.37Å; I155-F195 HydrophobicContact CD1-CB 4.39Å; I155-F195 HydrophobicContact CD1-CD2 4Å; I155-F195 HydrophobicContact CD1-CG 4.48Å; I155-F195 HydrophobicContact CG1-CD2 3.85Å; I155-F195 HydrophobicContact CG1-CE2 4.22Å; I155-L889 HydrophobicContact CD1-CD2 4.19Å
156	G	86.5	Confident	90	Very high	58 Å²	58	42 Å²	42	60%	0.598	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.2	173.3	0	0	0	0	0	114.1	Y153 S154	Y153-G156 PolarHBondContact O-N 3.32Å; S154-G156 PolarHBondContact O-N 3.45Å
157	G	83.9	Confident	89.9	Confident	9 Å²	9	42 Å²	42	9%	0.093	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.4	176.1	0	0	0	0	0	115.2	S154 I155 G159 S160	S154-G157 PolarHBondContact O-N 2.7Å; I155-G157 PolarHBondContact O-N 3.32Å; I155-G157 VanDerWaalsContact O-N 3.17Å; G157-G159 PolarHBondContact O-N 3.21Å; G157-S160 WeakPolarHBondContact O-CB 3.46Å; G157-S160 PolarHBondContact O-N 3Å; G157-S160 PolarHBondContact O-OG 3.39Å
158	M	85.4	Confident	89.9	Confident	61 Å²	61	42.7 Å²	42.7	30%	0.3	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.2	-168.4	76.1	179.3	-178.4	0	0	115.2	I155 S160 I164 V167 P891	I155-M158 HydrophobicContact CG2-SD 4.05Å; I155-M158 VanDerWaalsContact O-CB 3.3Å; I155-M158 WeakPolarHBondContact O-CB 3.38Å; I155-M158 VanDerWaalsContact O-CG 3.22Å; I155-M158 WeakPolarHBondContact O-CG 3.47Å; I155-M158 PolarHBondContact O-N 3.47Å; M158-S160 VanDerWaalsContact C-N 3.29Å; M158-I164 HydrophobicContact CB-CG1 4.28Å; M158-V167 HydrophobicContact CB-CG2 4.44Å; M158-P891 HydrophobicContact CE-CG 3.71Å
159	G	79.3	Confident	89.9	Confident	79 Å²	79	44.7 Å²	44.7	81%	0.814	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.7	176.8	0	0	0	0	0	114.5	G157	G157-G159 PolarHBondContact O-N 3.21Å
160	S	84.1	Confident	89.9	Confident	64 Å²	64	42.4 Å²	42.4	45%	0.448	28%	0.281	S	S	.	.	S	Bend	trans	-74.4	155.5	174	64.5	0	0	0	0	112.1	G157 M158 G162 G163	G157-S160 WeakPolarHBondContact O-CB 3.46Å; G157-S160 PolarHBondContact O-N 3Å; G157-S160 PolarHBondContact O-OG 3.39Å; M158-S160 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.05Å; S160-G162 VanDerWaalsContact O-N 3.13Å; S160-G163 PolarHBondContact O-N 2.9Å
161	P	82.4	Confident	90	Very high	139 Å²	139	42.3 Å²	42.3	90%	0.903	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	117.7	174.6	-24.7	35.2	0	0	0	111.8	G163	P161-G163 VanDerWaalsContact C-N 3.29Å; P161-G163 PolarHBondContact O-N 2.89Å
162	G	85.4	Confident	90.1	Very high	50 Å²	50	45.2 Å²	45.2	52%	0.515	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	0.8	-175.8	0	0	0	0	0	115.3	S160 I164 D165 K166	S160-G162 PolarHBondContact O-N 3.05Å; S160-G162 VanDerWaalsContact O-N 3.13Å; G162-I164 VanDerWaalsContact C-N 3.33Å; G162-I164 PolarHBondContact O-N 3.5Å; G162-D165 PolarHBondContact O-N 3.09Å; G162-K166 PolarHBondContact O-N 2.82Å; G162-K166 VanDerWaalsContact O-N 3.12Å
163	G	87.4	Confident	90.4	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-43	-177.3	0	0	0	0	0	113.6	S160 P161 D165 K166 V167	S160-G163 PolarHBondContact O-N 2.9Å; P161-G163 VanDerWaalsContact C-N 3.29Å; P161-G163 PolarHBondContact O-N 2.89Å; G163-D165 VanDerWaalsContact C-N 3.28Å; G163-D165 PolarHBondContact O-N 3.44Å; G163-K166 PolarHBondContact O-N 3.25Å; G163-K166 VanDerWaalsContact O-N 3.16Å; G163-V167 WeakPolarHBondContact O-CG2 3.26Å; G163-V167 PolarHBondContact O-N 2.92Å
164	I	89.9	Confident	90.6	Very high	60 Å²	60	45.5 Å²	45.5	31%	0.308	29%	0.292	S	S	.	.	H	α-helix	trans	-55.9	-40.1	176.3	-65.7	173.2	0	0	0	112	M158 G162 V167 R168 F195	M158-I164 HydrophobicContact CB-CG1 4.28Å; G162-I164 VanDerWaalsContact C-N 3.33Å; G162-I164 PolarHBondContact O-N 3.5Å; I164-V167 WeakPolarHBondContact O-CB 3.18Å; I164-V167 PolarHBondContact O-N 3.08Å; I164-R168 WeakPolarHBondContact O-CG 3.45Å; I164-R168 PolarHBondContact O-N 3.01Å; I164-F195 HydrophobicContact CG2-CZ 4.24Å
165	D	92.1	Very high	90.7	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-82.1	-23.8	-178.3	-62.5	-42	0	0	0	112.2	G162 G163 R168 S169	G162-D165 PolarHBondContact O-N 3.09Å; G163-D165 VanDerWaalsContact C-N 3.28Å; G163-D165 PolarHBondContact O-N 3.44Å; D165-R168 WeakPolarHBondContact OD1-CD 3.23Å; D165-R168 IonicContact OD1-CZ 3.49Å; D165-R168 IonicContact OD1-NH1 2.94Å; D165-R168 PolarHBondContact OD1-NH1 3.04Å; D165-S169 WeakPolarHBondContact O-CB 3.42Å; D165-S169 PolarHBondContact O-N 2.94Å
166	K	92.4	Very high	90.9	Very high	79 Å²	79	50.7 Å²	50.7	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-66.3	-42.7	165.8	-167.5	166.2	-177.9	168.2	0	111.3	E128 Y131 G162 G163 S169 I170	E128-K166 IonicContact OE1-NZ 2.92Å; E128-K166 PolarHBondContact OE1-NZ 2.97Å; E128-K166 IonicContact OE2-NZ 2.7Å; E128-K166 PolarHBondContact OE2-NZ 2.94Å; Y131-K166 HydrophobicContact CE2-CD 4.29Å; G162-K166 PolarHBondContact O-N 2.82Å; G162-K166 VanDerWaalsContact O-N 3.12Å; G163-K166 PolarHBondContact O-N 3.25Å; G163-K166 VanDerWaalsContact O-N 3.16Å; K166-S169 WeakPolarHBondContact O-CB 3.16Å; K166-S169 PolarHBondContact O-N 2.95Å; K166-I170 HydrophobicContact CG-CD1 4.35Å; K166-I170 WeakPolarHBondContact O-CG1 3.48Å; K166-I170 PolarHBondContact O-N 2.71Å; K166-I170 VanDerWaalsContact O-N 3.07Å
167	V	95	Very high	91.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-47.6	172.4	176.3	0	0	0	0	111.2	S154 I155 M158 G163 I164 S169 I170 F171 F195	S154-V167 WeakPolarHBondContact O-CG2 3.42Å; I155-V167 HydrophobicContact CG1-CG1 3.81Å; I155-V167 HydrophobicContact CG1-CG2 4.45Å; M158-V167 HydrophobicContact CB-CG2 4.44Å; G163-V167 WeakPolarHBondContact O-CG2 3.26Å; G163-V167 PolarHBondContact O-N 2.92Å; I164-V167 WeakPolarHBondContact O-CB 3.18Å; I164-V167 PolarHBondContact O-N 3.08Å; V167-S169 PolarHBondContact O-N 2.96Å; V167-I170 PolarHBondContact O-N 2.68Å; V167-F171 HydrophobicContact CG1-CD2 3.72Å; V167-F171 HydrophobicContact CG1-CE2 3.73Å; V167-F171 PolarHBondContact O-N 2.78Å; V167-F195 HydrophobicContact CB-CE1 4.38Å; V167-F195 HydrophobicContact CB-CE2 4.27Å; V167-F195 HydrophobicContact CB-CZ 3.87Å; V167-F195 HydrophobicContact CG1-CD1 4.11Å; V167-F195 HydrophobicContact CG1-CD2 4.01Å; V167-F195 HydrophobicContact CG1-CE1 3.73Å; V167-F195 HydrophobicContact CG1-CE2 3.61Å; V167-F195 HydrophobicContact CG1-CG 4.25Å; V167-F195 HydrophobicContact CG1-CZ 3.44Å; V167-F195 VanDerWaalsContact CG1-CZ 3.44Å
168	R	95.4	Very high	91.7	Very high	27 Å²	27	49.8 Å²	49.8	10%	0.102	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-43.8	175.9	-73.4	168	167.4	148.6	5.2	112.6	I164 D165 I170 F171 E172 Y192 F195 E196	I164-R168 WeakPolarHBondContact O-CG 3.45Å; I164-R168 PolarHBondContact O-N 3.01Å; D165-R168 WeakPolarHBondContact OD1-CD 3.23Å; D165-R168 IonicContact OD1-CZ 3.49Å; D165-R168 IonicContact OD1-NH1 2.94Å; D165-R168 PolarHBondContact OD1-NH1 3.04Å; R168-I170 VanDerWaalsContact C-N 3.31Å; R168-I170 PolarHBondContact O-N 3.48Å; R168-F171 PolarHBondContact O-N 3.47Å; R168-E172 WeakPolarHBondContact O-CB 3.15Å; R168-E172 WeakPolarHBondContact O-CG 3.17Å; R168-E172 PolarHBondContact O-N 2.92Å; R168-Y192 HydrophobicContact CG-CE2 4.47Å; R168-F195 HydrophobicContact CG-CE1 4.04Å; R168-E196 IonicContact CZ-OE1 2.77Å; R168-E196 IonicContact CZ-OE2 2.94Å; R168-E196 IonicContact NE-OE1 3.93Å; R168-E196 PolarHBondContact NE-OE1 3.02Å; R168-E196 IonicContact NE-OE2 3.22Å; R168-E196 PolarHBondContact NE-OE2 2.71Å; R168-E196 IonicContact NH2-OE1 2.67Å; R168-E196 PolarHBondContact NH2-OE1 3.03Å; R168-E196 IonicContact NH2-OE2 3.14Å; R168-E196 PolarHBondContact NH2-OE2 3.09Å
169	S	96.3	Very high	92.2	Very high	64 Å²	64	46.9 Å²	46.9	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-41.6	176.9	-173.1	0	0	0	0	112.1	D165 K166 V167 R173	D165-S169 WeakPolarHBondContact O-CB 3.42Å; D165-S169 PolarHBondContact O-N 2.94Å; K166-S169 WeakPolarHBondContact O-CB 3.16Å; K166-S169 PolarHBondContact O-N 2.95Å; V167-S169 PolarHBondContact O-N 2.96Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.28Å; S169-R173 WeakPolarHBondContact O-CG 3.42Å; S169-R173 PolarHBondContact O-N 3.12Å; S169-R173 VanDerWaalsContact O-N 3.07Å
170	I	96.3	Very high	92.9	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-45.8	176.6	-68.1	162.1	0	0	0	111	W147 Y150 A151 S154 K166 V167 R168 R173 A174	W147-I170 HydrophobicContact CE3-CG2 4.49Å; W147-I170 HydrophobicContact CZ3-CG2 4.35Å; Y150-I170 HydrophobicContact CD1-CG2 3.79Å; Y150-I170 HydrophobicContact CD2-CD1 4.13Å; Y150-I170 HydrophobicContact CD2-CG2 4.16Å; Y150-I170 HydrophobicContact CE1-CD1 4.5Å; Y150-I170 HydrophobicContact CE1-CG1 4.14Å; Y150-I170 HydrophobicContact CE1-CG2 4.05Å; Y150-I170 HydrophobicContact CE2-CD1 3.54Å; Y150-I170 HydrophobicContact CE2-CG1 4.08Å; Y150-I170 HydrophobicContact CE2-CG2 4.39Å; Y150-I170 HydrophobicContact CG-CG2 3.84Å; A151-I170 HydrophobicContact CB-CG2 4.28Å; S154-I170 VanDerWaalsContact CB-CD1 3.46Å; K166-I170 HydrophobicContact CG-CD1 4.35Å; K166-I170 WeakPolarHBondContact O-CG1 3.48Å; K166-I170 PolarHBondContact O-N 2.71Å; K166-I170 VanDerWaalsContact O-N 3.07Å; V167-I170 PolarHBondContact O-N 2.68Å; R168-I170 VanDerWaalsContact C-N 3.31Å; R168-I170 PolarHBondContact O-N 3.48Å; I170-R173 PolarHBondContact O-N 3.27Å; I170-A174 WeakPolarHBondContact O-CB 3.38Å; I170-A174 PolarHBondContact O-N 3.16Å
171	F	97.3	Very high	93.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175.9	-87.8	-63.2	0	0	0	113.4	A151 I155 V167 R168 R173 A174 V175 A191 Y192 F195	A151-F171 HydrophobicContact CB-CD1 3.85Å; A151-F171 HydrophobicContact CB-CD2 4.39Å; A151-F171 HydrophobicContact CB-CE1 3.54Å; A151-F171 HydrophobicContact CB-CE2 4.11Å; A151-F171 HydrophobicContact CB-CG 4.28Å; A151-F171 HydrophobicContact CB-CZ 3.69Å; I155-F171 HydrophobicContact CD1-CE2 4.26Å; I155-F171 HydrophobicContact CD1-CZ 4.37Å; V167-F171 HydrophobicContact CG1-CD2 3.72Å; V167-F171 HydrophobicContact CG1-CE2 3.73Å; V167-F171 PolarHBondContact O-N 2.78Å; R168-F171 PolarHBondContact O-N 3.47Å; F171-R173 VanDerWaalsContact C-N 3.32Å; F171-R173 PolarHBondContact O-N 3.48Å; F171-A174 PolarHBondContact O-N 2.77Å; F171-V175 WeakPolarHBondContact O-CB 3.34Å; F171-V175 WeakPolarHBondContact O-CG2 3.3Å; F171-V175 PolarHBondContact O-N 3.37Å; F171-A191 HydrophobicContact CE1-CB 3.97Å; F171-A191 HydrophobicContact CZ-CB 4.29Å; F171-Y192 HydrophobicContact CB-CD1 3.7Å; F171-Y192 HydrophobicContact CB-CD2 3.64Å; F171-Y192 HydrophobicContact CB-CE1 3.8Å; F171-Y192 HydrophobicContact CB-CE2 3.78Å; F171-Y192 HydrophobicContact CB-CG 3.64Å; F171-Y192 HydrophobicContact CD1-CD1 4.43Å; F171-Y192 HydrophobicContact CD1-CD2 4.11Å; F171-Y192 AromaticContact CD1-CG 3.8Å; F171-Y192 HydrophobicContact CD1-CG 3.8Å; F171-Y192 AromaticContact CD2-CD2 3.63Å; F171-Y192 HydrophobicContact CD2-CD2 3.63Å; F171-Y192 HydrophobicContact CD2-CE2 4.1Å; F171-Y192 HydrophobicContact CD2-CG 4.18Å; F171-Y192 HydrophobicContact CE1-CG 4.44Å; F171-Y192 HydrophobicContact CE2-CD2 4.24Å; F171-Y192 HydrophobicContact CG-CD1 4.21Å; F171-Y192 AromaticContact CG-CD2 3.56Å; F171-Y192 HydrophobicContact CG-CD2 3.56Å; F171-Y192 HydrophobicContact CG-CE2 4.11Å; F171-Y192 AromaticContact CG-CG 3.64Å; F171-Y192 HydrophobicContact CG-CG 3.64Å; F171-F195 HydrophobicContact CD2-CD1 4.13Å; F171-F195 HydrophobicContact CD2-CG 4.47Å; F171-F195 HydrophobicContact CE2-CB 3.77Å; F171-F195 AromaticContact CE2-CD1 3.94Å; F171-F195 HydrophobicContact CE2-CD1 3.94Å; F171-F195 AromaticContact CE2-CG 3.82Å; F171-F195 HydrophobicContact CE2-CG 3.82Å; F171-F195 HydrophobicContact CZ-CB 4.14Å
172	E	96.9	Very high	93.9	Very high	61 Å²	61	37.3 Å²	37.3	29%	0.285	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-36.2	176.7	-72.7	-67.6	177.2	0	0	112	R168 T176 Y192 R232	R168-E172 WeakPolarHBondContact O-CB 3.15Å; R168-E172 WeakPolarHBondContact O-CG 3.17Å; R168-E172 PolarHBondContact O-N 2.92Å; E172-T176 WeakPolarHBondContact O-CB 3.42Å; E172-T176 PolarHBondContact O-N 2.98Å; E172-T176 PolarHBondContact O-OG1 3.17Å; E172-Y192 HydrophobicContact CG-CE1 4.24Å; E172-Y192 PolarHBondContact OE1-OH 3.45Å; E172-R232 VanDerWaalsContact CD-NH1 3.25Å; E172-R232 IonicContact OE1-CZ 2.67Å; E172-R232 IonicContact OE1-NH1 3.93Å; E172-R232 PolarHBondContact OE1-NH1 2.98Å; E172-R232 IonicContact OE1-NH2 2.73Å; E172-R232 IonicContact OE2-CZ 2.65Å; E172-R232 VanDerWaalsContact OE2-CZ 3.27Å; E172-R232 IonicContact OE2-NH1 3.73Å; E172-R232 PolarHBondContact OE2-NH1 3.18Å; E172-R232 IonicContact OE2-NH2 3.19Å; E172-R232 PolarHBondContact OE2-NH2 3.07Å
173	R	96.8	Very high	94.2	Very high	86 Å²	86	38.5 Å²	38.5	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-67.9	-44.6	172.6	-73.4	170.7	62.3	-160.9	0.9	112.2	E135 W147 S169 I170 F171 V175 T176 A177	E135-R173 VanDerWaalsContact CD-NH2 3.3Å; E135-R173 IonicContact OE1-CZ 3.47Å; E135-R173 VanDerWaalsContact OE1-CZ 3.32Å; E135-R173 IonicContact OE1-NH1 3.88Å; E135-R173 PolarHBondContact OE1-NH1 2.56Å; E135-R173 IonicContact OE1-NH2 3.48Å; E135-R173 PolarHBondContact OE1-NH2 3.47Å; E135-R173 VanDerWaalsContact OE1-NH2 3.1Å; E135-R173 IonicContact OE2-CZ 2.78Å; E135-R173 IonicContact OE2-NH1 2.77Å; E135-R173 IonicContact OE2-NH2 3.59Å; E135-R173 PolarHBondContact OE2-NH2 2.89Å; W147-R173 HydrophobicContact CH2-CB 3.72Å; W147-R173 HydrophobicContact CZ3-CB 3.89Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.28Å; S169-R173 WeakPolarHBondContact O-CG 3.42Å; S169-R173 PolarHBondContact O-N 3.12Å; S169-R173 VanDerWaalsContact O-N 3.07Å; I170-R173 PolarHBondContact O-N 3.27Å; F171-R173 VanDerWaalsContact C-N 3.32Å; F171-R173 PolarHBondContact O-N 3.48Å; R173-V175 PolarHBondContact O-N 3.18Å; R173-T176 PolarHBondContact O-N 3.36Å; R173-T176 VanDerWaalsContact O-N 3.17Å; R173-A177 WeakPolarHBondContact O-CB 3.31Å; R173-A177 PolarHBondContact O-N 3.35Å
174	A	96.4	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-48.7	173.7	0	0	0	0	0	111.6	W147 I170 F171 T176 A177 V178 L188	W147-A174 HydrophobicContact CB-CB 3.86Å; W147-A174 HydrophobicContact CD2-CB 3.8Å; W147-A174 HydrophobicContact CE3-CB 3.6Å; W147-A174 HydrophobicContact CG-CB 3.94Å; W147-A174 HydrophobicContact CZ3-CB 4.42Å; I170-A174 WeakPolarHBondContact O-CB 3.38Å; I170-A174 PolarHBondContact O-N 3.16Å; F171-A174 PolarHBondContact O-N 2.77Å; A174-T176 VanDerWaalsContact C-N 3.3Å; A174-T176 PolarHBondContact O-N 3.17Å; A174-A177 PolarHBondContact O-N 3.1Å; A174-V178 WeakPolarHBondContact O-CG2 3.36Å; A174-V178 PolarHBondContact O-N 3.43Å; A174-L188 HydrophobicContact CB-CD1 4.32Å; A174-L188 HydrophobicContact CB-CD2 4.02Å
175	V	95.2	Very high	94.6	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.055	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-37	176	163.3	0	0	0	0	111.9	F171 R173 G179 W189 Y192	F171-V175 WeakPolarHBondContact O-CB 3.34Å; F171-V175 WeakPolarHBondContact O-CG2 3.3Å; F171-V175 PolarHBondContact O-N 3.37Å; R173-V175 PolarHBondContact O-N 3.18Å; V175-G179 WeakPolarHBondContact O-CA 3.43Å; V175-G179 PolarHBondContact O-N 2.98Å; V175-W189 HydrophobicContact CG1-CE3 4.42Å; V175-W189 HydrophobicContact CG1-CH2 3.32Å; V175-W189 HydrophobicContact CG1-CZ2 3.49Å; V175-W189 VanDerWaalsContact CG1-CZ2 3.49Å; V175-W189 HydrophobicContact CG1-CZ3 3.83Å; V175-W189 HydrophobicContact CG2-CD2 4.26Å; V175-W189 HydrophobicContact CG2-CE3 4.17Å; V175-W189 HydrophobicContact CG2-CH2 4.5Å; V175-W189 HydrophobicContact CG2-CZ3 4.29Å; V175-Y192 HydrophobicContact CG2-CD1 4.19Å
176	T	94.8	Very high	94.6	Very high	114 Å²	114	35.3 Å²	35.3	70%	0.699	19%	0.188	S	C	*	.	H	α-helix	trans	-69.4	-40.1	176.5	-58.5	0	0	0	0	112.2	E172 R173 A174	E172-T176 WeakPolarHBondContact O-CB 3.42Å; E172-T176 PolarHBondContact O-N 2.98Å; E172-T176 PolarHBondContact O-OG1 3.17Å; R173-T176 PolarHBondContact O-N 3.36Å; R173-T176 VanDerWaalsContact O-N 3.17Å; A174-T176 VanDerWaalsContact C-N 3.3Å; A174-T176 PolarHBondContact O-N 3.17Å
177	A	93	Very high	94.6	Very high	47 Å²	47	34.3 Å²	34.3	39%	0.388	19%	0.189	S	C	.	.	H	α-helix	trans	-76.5	-43.2	-178.5	0	0	0	0	0	113.1	W147 R173 A174 I310	W147-A177 HydrophobicContact CZ2-CB 4.38Å; R173-A177 WeakPolarHBondContact O-CB 3.31Å; R173-A177 PolarHBondContact O-N 3.35Å; A174-A177 PolarHBondContact O-N 3.1Å; A177-I310 WeakPolarHBondContact O-CD1 3.44Å
178	V	94.6	Very high	94.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-133.6	0.3	-168.7	-44.4	0	0	0	0	114.8	I142 P144 A174 L180 H181 L188	I142-V178 HydrophobicContact CD1-CB 4.18Å; I142-V178 HydrophobicContact CD1-CG1 3.73Å; I142-V178 HydrophobicContact CG1-CB 4.47Å; I142-V178 HydrophobicContact CG1-CG1 3.64Å; P144-V178 HydrophobicContact CB-CB 4.37Å; P144-V178 HydrophobicContact CB-CG2 3.96Å; P144-V178 HydrophobicContact CG-CB 4.05Å; P144-V178 HydrophobicContact CG-CG1 4.12Å; P144-V178 HydrophobicContact CG-CG2 4.2Å; A174-V178 WeakPolarHBondContact O-CG2 3.36Å; A174-V178 PolarHBondContact O-N 3.43Å; V178-L180 PolarHBondContact O-N 3.38Å; V178-L180 VanDerWaalsContact O-N 3.08Å; V178-H181 WeakPolarHBondContact O-CB 3.37Å; V178-H181 PolarHBondContact O-N 3.32Å; V178-L188 HydrophobicContact CG2-CD1 3.21Å
179	G	94.6	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.7	180	0	0	0	0	0	114.8	V175 W189	V175-G179 WeakPolarHBondContact O-CA 3.43Å; V175-G179 PolarHBondContact O-N 2.98Å; G179-W189 PolarHBondContact O-NE1 3.39Å
180	L	95.4	Very high	94.5	Very high	56 Å²	56	31.6 Å²	31.6	29%	0.293	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.2	170.7	-59.1	-177.7	0	0	0	113.7	V178 M182 V236 A306 I310	V178-L180 PolarHBondContact O-N 3.38Å; V178-L180 VanDerWaalsContact O-N 3.08Å; L180-M182 PolarHBondContact O-N 2.88Å; L180-M182 VanDerWaalsContact O-N 3.11Å; L180-V236 HydrophobicContact CD2-CB 4.4Å; L180-V236 HydrophobicContact CD2-CG1 3.67Å; L180-V236 HydrophobicContact CD2-CG2 3.83Å; L180-A306 HydrophobicContact CD1-CB 3.51Å; L180-I310 HydrophobicContact CB-CB 4.4Å; L180-I310 HydrophobicContact CB-CG1 4.22Å; L180-I310 HydrophobicContact CB-CG2 4.29Å
181	H	95.1	Very high	94.5	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.083	17%	0.173	C	C	.	.			trans	-73.1	103.8	-177.7	-171.1	-49.3	0	0	0	110.6	V178 T183 K184 G185 I310	V178-H181 WeakPolarHBondContact O-CB 3.37Å; V178-H181 PolarHBondContact O-N 3.32Å; H181-T183 VanDerWaalsContact C-N 3.26Å; H181-T183 PolarHBondContact CE1-OG1 3.35Å; H181-T183 PolarHBondContact ND1-OG1 2.91Å; H181-T183 PolarHBondContact O-N 3.39Å; H181-K184 PolarHBondContact ND1-N 3.31Å; H181-G185 VanDerWaalsContact O-CA 3.32Å; H181-G185 WeakPolarHBondContact O-CA 3.36Å; H181-G185 PolarHBondContact O-N 2.91Å; H181-I310 HydrophobicContact CB-CD1 4.41Å; H181-I310 HydrophobicContact CB-CG1 4.45Å
182	M	92.3	Very high	94.5	Very high	7 Å²	7	32 Å²	32	3%	0.034	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	-44.1	-171.7	-169.9	69.5	63.5	0	0	116	L180 P237 M239 C274 E278	L180-M182 PolarHBondContact O-N 2.88Å; L180-M182 VanDerWaalsContact O-N 3.11Å; M182-P237 HydrophobicContact CE-CB 4.06Å; M182-P237 HydrophobicContact CE-CG 4.27Å; M182-P237 HydrophobicContact SD-CB 4.35Å; M182-M239 HydrophobicContact CG-CG 3.93Å; M182-M239 HydrophobicContact CG-SD 3.82Å; M182-M239 PolarHBondContact O-N 2.95Å; M182-M239 HydrophobicContact SD-SD 4.28Å; M182-C274 HydrophobicContact CE-CB 3.6Å; M182-E278 WeakPolarHBondContact CB-OE1 3.37Å; M182-E278 HydrophobicContact CG-CG 3.9Å; M182-E278 WeakPolarHBondContact CG-OE1 3.44Å
183	T	90.6	Very high	94.4	Very high	75 Å²	75	29.4 Å²	29.4	46%	0.46	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-68.3	177.2	53.5	0	0	0	0	113.7	H181 G185 M239	H181-T183 VanDerWaalsContact C-N 3.26Å; H181-T183 PolarHBondContact CE1-OG1 3.35Å; H181-T183 PolarHBondContact ND1-OG1 2.91Å; H181-T183 PolarHBondContact O-N 3.39Å; T183-G185 VanDerWaalsContact C-N 3.32Å; T183-G185 PolarHBondContact O-N 3.06Å; T183-M239 HydrophobicContact CG2-CG 3.91Å
184	K	91.9	Very high	94.2	Very high	69 Å²	69	27 Å²	27	30%	0.3	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.7	-175.5	-70.4	-165.9	178.2	-165	0	114.9	E107 P144 D145 H181 Q186 T187	E107-K184 IonicContact OE2-NZ 2.68Å; E107-K184 PolarHBondContact OE2-NZ 2.6Å; P144-K184 HydrophobicContact CB-CB 3.84Å; P144-K184 HydrophobicContact CB-CD 3.86Å; P144-K184 HydrophobicContact CG-CB 3.93Å; P144-K184 HydrophobicContact CG-CD 3.69Å; P144-K184 HydrophobicContact CG-CG 4.45Å; D145-K184 WeakPolarHBondContact OD2-CE 3.29Å; D145-K184 IonicContact OD2-NZ 3.91Å; D145-K184 PolarHBondContact OD2-NZ 3.43Å; H181-K184 PolarHBondContact ND1-N 3.31Å; K184-Q186 VanDerWaalsContact C-N 3.33Å; K184-Q186 PolarHBondContact O-N 3.26Å; K184-T187 PolarHBondContact O-N 3Å; K184-T187 PolarHBondContact O-OG1 3.17Å
185	G	93.3	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-27	-170.3	0	0	0	0	0	114.6	H181 T183 T187 L188 W189	H181-G185 VanDerWaalsContact O-CA 3.32Å; H181-G185 WeakPolarHBondContact O-CA 3.36Å; H181-G185 PolarHBondContact O-N 2.91Å; T183-G185 VanDerWaalsContact C-N 3.32Å; T183-G185 PolarHBondContact O-N 3.06Å; G185-T187 VanDerWaalsContact C-N 3.32Å; G185-T187 PolarHBondContact O-N 3.45Å; G185-L188 PolarHBondContact O-N 3.43Å; G185-W189 VanDerWaalsContact O-CD1 3.24Å; G185-W189 PolarHBondContact O-N 3.08Å
186	Q	93	Very high	94.2	Very high	22 Å²	22	26.8 Å²	26.8	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-39.5	178.7	177.4	164.3	-24	0	0	112.5	K184 L188 W189 E190 L238	K184-Q186 VanDerWaalsContact C-N 3.33Å; K184-Q186 PolarHBondContact O-N 3.26Å; Q186-L188 VanDerWaalsContact C-N 3.26Å; Q186-L188 PolarHBondContact O-N 3.1Å; Q186-W189 PolarHBondContact O-N 3.31Å; Q186-E190 HydrophobicContact CG-CG 4.33Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 3.37Å; Q186-E190 PolarHBondContact O-N 3.38Å; Q186-L238 HydrophobicContact CB-CD1 4.31Å
187	T	93.1	Very high	94	Very high	59 Å²	59	23.5 Å²	23.5	36%	0.362	13%	0.13	S	C	.	.	H	α-helix	trans	-57.7	-37.1	-179.6	-44.9	0	0	0	0	112.6	L148 K184 G185 A191	L148-T187 HydrophobicContact CD1-CG2 4.16Å; L148-T187 HydrophobicContact CD2-CG2 3.92Å; K184-T187 PolarHBondContact O-N 3Å; K184-T187 PolarHBondContact O-OG1 3.17Å; G185-T187 VanDerWaalsContact C-N 3.32Å; G185-T187 PolarHBondContact O-N 3.45Å; T187-A191 WeakPolarHBondContact O-CB 3.46Å; T187-A191 PolarHBondContact O-N 3.13Å
188	L	94.7	Very high	93.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-76.9	-37.4	178.9	-86.5	161.9	0	0	0	112.9	P144 W147 L148 A174 V178 G185 Q186 E190 Y192	P144-L188 HydrophobicContact CB-CD1 4.34Å; W147-L188 HydrophobicContact CB-CD1 3.95Å; W147-L188 HydrophobicContact CB-CD2 4.4Å; L148-L188 HydrophobicContact CB-CD2 4.21Å; L148-L188 HydrophobicContact CD1-CD2 3.89Å; L148-L188 HydrophobicContact CD1-CG 4.18Å; A174-L188 HydrophobicContact CB-CD1 4.32Å; A174-L188 HydrophobicContact CB-CD2 4.02Å; V178-L188 HydrophobicContact CG2-CD1 3.21Å; G185-L188 PolarHBondContact O-N 3.43Å; Q186-L188 VanDerWaalsContact C-N 3.26Å; Q186-L188 PolarHBondContact O-N 3.1Å; L188-E190 VanDerWaalsContact C-N 3.29Å; L188-E190 PolarHBondContact O-N 3.02Å; L188-Y192 WeakPolarHBondContact O-CB 3.45Å; L188-Y192 PolarHBondContact O-N 3.06Å
189	W	96	Very high	93.6	Very high	9 Å²	9	23.5 Å²	23.5	3%	0.034	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-36.5	170.6	-72.3	108.7	0	0	0	112.1	V175 G179 G185 Q186 R193 L229 R232 Q233 V236	V175-W189 HydrophobicContact CG1-CE3 4.42Å; V175-W189 HydrophobicContact CG1-CH2 3.32Å; V175-W189 HydrophobicContact CG1-CZ2 3.49Å; V175-W189 VanDerWaalsContact CG1-CZ2 3.49Å; V175-W189 HydrophobicContact CG1-CZ3 3.83Å; V175-W189 HydrophobicContact CG2-CD2 4.26Å; V175-W189 HydrophobicContact CG2-CE3 4.17Å; V175-W189 HydrophobicContact CG2-CH2 4.5Å; V175-W189 HydrophobicContact CG2-CZ3 4.29Å; G179-W189 PolarHBondContact O-NE1 3.39Å; G185-W189 VanDerWaalsContact O-CD1 3.24Å; G185-W189 PolarHBondContact O-N 3.08Å; Q186-W189 PolarHBondContact O-N 3.31Å; W189-R193 VanDerWaalsContact C-NH1 3.3Å; W189-R193 WeakPolarHBondContact O-CG 3.49Å; W189-R193 PolarHBondContact O-N 3.35Å; W189-R193 VanDerWaalsContact O-N 3.09Å; W189-R193 PolarHBondContact O-NH1 3.48Å; W189-L229 HydrophobicContact CZ3-CD2 4.41Å; W189-R232 HydrophobicContact CH2-CB 3.61Å; W189-R232 HydrophobicContact CZ3-CB 3.78Å; W189-Q233 HydrophobicContact CB-CB 4.37Å; W189-Q233 HydrophobicContact CB-CG 3.9Å; W189-Q233 HydrophobicContact CD2-CB 3.73Å; W189-Q233 HydrophobicContact CD2-CG 3.9Å; W189-Q233 HydrophobicContact CE3-CB 3.87Å; W189-Q233 HydrophobicContact CG-CB 4Å; W189-Q233 HydrophobicContact CG-CG 3.63Å; W189-Q233 HydrophobicContact CZ3-CB 4.39Å; W189-V236 HydrophobicContact CZ2-CG2 4.23Å
190	E	94.3	Very high	93.4	Very high	24 Å²	24	23.8 Å²	23.8	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-52.2	174.8	-76.7	178.3	-169.3	0	0	111	Q186 L188 Y192 R193 E194	Q186-E190 HydrophobicContact CG-CG 4.33Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 3.37Å; Q186-E190 PolarHBondContact O-N 3.38Å; L188-E190 VanDerWaalsContact C-N 3.29Å; L188-E190 PolarHBondContact O-N 3.02Å; E190-Y192 VanDerWaalsContact C-N 3.27Å; E190-Y192 PolarHBondContact O-N 2.8Å; E190-R193 PolarHBondContact O-N 3.28Å; E190-R193 VanDerWaalsContact O-N 3.08Å; E190-E194 WeakPolarHBondContact O-CG 3.46Å; E190-E194 PolarHBondContact O-N 2.7Å
191	A	95.1	Very high	93	Very high	8 Å²	8	24.9 Å²	24.9	7%	0.066	14%	0.142	C	C	.	.	H	α-helix	trans	-56.8	-38.4	176.5	0	0	0	0	0	113	L148 F171 T187 E194 F195	L148-A191 HydrophobicContact CD1-CB 3.73Å; F171-A191 HydrophobicContact CE1-CB 3.97Å; F171-A191 HydrophobicContact CZ-CB 4.29Å; T187-A191 WeakPolarHBondContact O-CB 3.46Å; T187-A191 PolarHBondContact O-N 3.13Å; A191-E194 PolarHBondContact O-N 2.67Å; A191-F195 WeakPolarHBondContact O-CB 3.27Å; A191-F195 PolarHBondContact O-N 2.81Å
192	Y	96.8	Very high	92.5	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-39.2	176.7	-166	-171.5	0	0	0	112.1	R168 F171 E172 V175 L188 E190 F195 E196 L229	R168-Y192 HydrophobicContact CG-CE2 4.47Å; F171-Y192 HydrophobicContact CB-CD1 3.7Å; F171-Y192 HydrophobicContact CB-CD2 3.64Å; F171-Y192 HydrophobicContact CB-CE1 3.8Å; F171-Y192 HydrophobicContact CB-CE2 3.78Å; F171-Y192 HydrophobicContact CB-CG 3.64Å; F171-Y192 HydrophobicContact CD1-CD1 4.43Å; F171-Y192 HydrophobicContact CD1-CD2 4.11Å; F171-Y192 AromaticContact CD1-CG 3.8Å; F171-Y192 HydrophobicContact CD1-CG 3.8Å; F171-Y192 AromaticContact CD2-CD2 3.63Å; F171-Y192 HydrophobicContact CD2-CD2 3.63Å; F171-Y192 HydrophobicContact CD2-CE2 4.1Å; F171-Y192 HydrophobicContact CD2-CG 4.18Å; F171-Y192 HydrophobicContact CE1-CG 4.44Å; F171-Y192 HydrophobicContact CE2-CD2 4.24Å; F171-Y192 HydrophobicContact CG-CD1 4.21Å; F171-Y192 AromaticContact CG-CD2 3.56Å; F171-Y192 HydrophobicContact CG-CD2 3.56Å; F171-Y192 HydrophobicContact CG-CE2 4.11Å; F171-Y192 AromaticContact CG-CG 3.64Å; F171-Y192 HydrophobicContact CG-CG 3.64Å; E172-Y192 HydrophobicContact CG-CE1 4.24Å; E172-Y192 PolarHBondContact OE1-OH 3.45Å; V175-Y192 HydrophobicContact CG2-CD1 4.19Å; L188-Y192 WeakPolarHBondContact O-CB 3.45Å; L188-Y192 PolarHBondContact O-N 3.06Å; E190-Y192 VanDerWaalsContact C-N 3.27Å; E190-Y192 PolarHBondContact O-N 2.8Å; Y192-F195 HydrophobicContact CD2-CD1 4.11Å; Y192-F195 HydrophobicContact CE2-CD1 4.22Å; Y192-F195 PolarHBondContact O-N 2.92Å; Y192-E196 HydrophobicContact CD2-CG 4Å; Y192-E196 HydrophobicContact CE2-CG 3.73Å; Y192-E196 PolarHBondContact O-N 3.02Å; Y192-L229 HydrophobicContact CD1-CD1 3.96Å; Y192-L229 HydrophobicContact CD1-CD2 3.59Å; Y192-L229 HydrophobicContact CD1-CG 4.45Å; Y192-L229 HydrophobicContact CD2-CD1 4.01Å; Y192-L229 HydrophobicContact CE1-CD1 4.23Å; Y192-L229 HydrophobicContact CE1-CD2 3.45Å; Y192-L229 VanDerWaalsContact CE1-CD2 3.45Å; Y192-L229 HydrophobicContact CE1-CG 4.48Å; Y192-L229 HydrophobicContact CE2-CD1 4.24Å; Y192-L229 HydrophobicContact CG-CD1 3.84Å; Y192-L229 HydrophobicContact CG-CD2 4.33Å
193	R	95.3	Very high	92.1	Very high	5 Å²	5	31 Å²	31	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-43	171.4	-76.8	-160.4	-46.5	-69.9	20.6	112	W189 E190 F195 E196 N197 L229 F230 E247	W189-R193 VanDerWaalsContact C-NH1 3.3Å; W189-R193 WeakPolarHBondContact O-CG 3.49Å; W189-R193 PolarHBondContact O-N 3.35Å; W189-R193 VanDerWaalsContact O-N 3.09Å; W189-R193 PolarHBondContact O-NH1 3.48Å; E190-R193 PolarHBondContact O-N 3.28Å; E190-R193 VanDerWaalsContact O-N 3.08Å; R193-F195 VanDerWaalsContact C-N 3.32Å; R193-F195 PolarHBondContact O-N 2.89Å; R193-E196 PolarHBondContact O-N 2.98Å; R193-N197 WeakPolarHBondContact O-CB 3.31Å; R193-N197 PolarHBondContact O-N 2.76Å; R193-N197 PolarHBondContact O-ND2 3.01Å; R193-L229 HydrophobicContact CG-CB 4.12Å; R193-L229 HydrophobicContact CG-CD1 4.28Å; R193-F230 VanDerWaalsContact CD-CE1 3.41Å; R193-F230 VanDerWaalsContact CD-CZ 3.48Å; R193-F230 VanDerWaalsContact NE-CE1 3.3Å; R193-E247 IonicContact CZ-OE1 3.37Å; R193-E247 IonicContact CZ-OE2 3.44Å; R193-E247 IonicContact NE-OE1 3.18Å; R193-E247 PolarHBondContact NE-OE1 3.31Å; R193-E247 IonicContact NE-OE2 3.55Å; R193-E247 VanDerWaalsContact NH2-CD 3.34Å; R193-E247 IonicContact NH2-OE1 2.68Å; R193-E247 PolarHBondContact NH2-OE1 2.96Å; R193-E247 IonicContact NH2-OE2 3.49Å; R193-E247 PolarHBondContact NH2-OE2 3.37Å
194	E	93.9	Very high	91.5	Very high	35 Å²	35	32.1 Å²	32.1	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-39.1	179.4	-69	-177.5	156.8	0	0	110.5	E190 A191 A198 G883 R884 T885 L889	E190-E194 WeakPolarHBondContact O-CG 3.46Å; E190-E194 PolarHBondContact O-N 2.7Å; A191-E194 PolarHBondContact O-N 2.67Å; E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 2.81Å; E194-G883 WeakPolarHBondContact OE1-CA 3.4Å; E194-R884 PolarHBondContact OE1-N 3.26Å; E194-T885 PolarHBondContact OE1-OG1 2.82Å; E194-T885 VanDerWaalsContact OE2-CG2 3.26Å; E194-T885 WeakPolarHBondContact OE2-CG2 3.28Å; E194-T885 PolarHBondContact OE2-OG1 3.17Å; E194-L889 HydrophobicContact CB-CD1 3.53Å
195	F	95.1	Very high	90.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-53.4	170.2	168.9	-105.6	0	0	0	113.4	I155 I164 V167 R168 F171 A191 Y192 R193 N197 A198 V199	I155-F195 HydrophobicContact CD1-CB 4.39Å; I155-F195 HydrophobicContact CD1-CD2 4Å; I155-F195 HydrophobicContact CD1-CG 4.48Å; I155-F195 HydrophobicContact CG1-CD2 3.85Å; I155-F195 HydrophobicContact CG1-CE2 4.22Å; I164-F195 HydrophobicContact CG2-CZ 4.24Å; V167-F195 HydrophobicContact CB-CE1 4.38Å; V167-F195 HydrophobicContact CB-CE2 4.27Å; V167-F195 HydrophobicContact CB-CZ 3.87Å; V167-F195 HydrophobicContact CG1-CD1 4.11Å; V167-F195 HydrophobicContact CG1-CD2 4.01Å; V167-F195 HydrophobicContact CG1-CE1 3.73Å; V167-F195 HydrophobicContact CG1-CE2 3.61Å; V167-F195 HydrophobicContact CG1-CG 4.25Å; V167-F195 HydrophobicContact CG1-CZ 3.44Å; V167-F195 VanDerWaalsContact CG1-CZ 3.44Å; R168-F195 HydrophobicContact CG-CE1 4.04Å; F171-F195 HydrophobicContact CD2-CD1 4.13Å; F171-F195 HydrophobicContact CD2-CG 4.47Å; F171-F195 HydrophobicContact CE2-CB 3.77Å; F171-F195 AromaticContact CE2-CD1 3.94Å; F171-F195 HydrophobicContact CE2-CD1 3.94Å; F171-F195 AromaticContact CE2-CG 3.82Å; F171-F195 HydrophobicContact CE2-CG 3.82Å; F171-F195 HydrophobicContact CZ-CB 4.14Å; A191-F195 WeakPolarHBondContact O-CB 3.27Å; A191-F195 PolarHBondContact O-N 2.81Å; Y192-F195 HydrophobicContact CD2-CD1 4.11Å; Y192-F195 HydrophobicContact CE2-CD1 4.22Å; Y192-F195 PolarHBondContact O-N 2.92Å; R193-F195 VanDerWaalsContact C-N 3.32Å; R193-F195 PolarHBondContact O-N 2.89Å; F195-N197 VanDerWaalsContact C-N 3.27Å; F195-N197 PolarHBondContact O-N 3.37Å; F195-A198 WeakPolarHBondContact O-CA 3.2Å; F195-A198 WeakPolarHBondContact O-CB 3.34Å; F195-A198 PolarHBondContact O-N 3.37Å; F195-V199 HydrophobicContact CD2-CG2 4.32Å; F195-V199 HydrophobicContact CE1-CG2 4.24Å; F195-V199 HydrophobicContact CE2-CG2 3.8Å; F195-V199 HydrophobicContact CZ-CG2 3.77Å; F195-V199 PolarHBondContact O-N 2.89Å
196	E	94.6	Very high	90	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-25.9	-178.5	-67.7	-75.6	-159.8	0	0	112.2	R168 Y192 R193 L200 Q222 I226 L229	R168-E196 IonicContact CZ-OE1 2.77Å; R168-E196 IonicContact CZ-OE2 2.94Å; R168-E196 IonicContact NE-OE1 3.93Å; R168-E196 PolarHBondContact NE-OE1 3.02Å; R168-E196 IonicContact NE-OE2 3.22Å; R168-E196 PolarHBondContact NE-OE2 2.71Å; R168-E196 IonicContact NH2-OE1 2.67Å; R168-E196 PolarHBondContact NH2-OE1 3.03Å; R168-E196 IonicContact NH2-OE2 3.14Å; R168-E196 PolarHBondContact NH2-OE2 3.09Å; Y192-E196 HydrophobicContact CD2-CG 4Å; Y192-E196 HydrophobicContact CE2-CG 3.73Å; Y192-E196 PolarHBondContact O-N 3.02Å; R193-E196 PolarHBondContact O-N 2.98Å; E196-L200 WeakPolarHBondContact O-CB 3.47Å; E196-L200 PolarHBondContact O-N 3.22Å; E196-Q222 PolarHBondContact O-NE2 2.96Å; E196-Q222 PolarHBondContact OE2-NE2 3.24Å; E196-I226 HydrophobicContact CB-CD1 4.5Å; E196-I226 HydrophobicContact CB-CG1 3.82Å; E196-L229 HydrophobicContact CB-CD1 4.4Å; E196-L229 HydrophobicContact CG-CD1 4Å
197	N	91.4	Very high	89.1	Confident	45 Å²	45	40.2 Å²	40.2	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-71	-35.4	168.2	-82.1	-86.9	0	0	0	112.3	R193 F195 L200 S201 W251	R193-N197 WeakPolarHBondContact O-CB 3.31Å; R193-N197 PolarHBondContact O-N 2.76Å; R193-N197 PolarHBondContact O-ND2 3.01Å; F195-N197 VanDerWaalsContact C-N 3.27Å; F195-N197 PolarHBondContact O-N 3.37Å; N197-L200 WeakPolarHBondContact O-CB 3.22Å; N197-L200 PolarHBondContact O-N 3.39Å; N197-S201 PolarHBondContact O-N 3.04Å; N197-W251 PolarHBondContact OD1-NE1 3.33Å
198	A	90.9	Very high	87.7	Confident	35 Å²	35	41.5 Å²	41.5	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-44.4	171.8	0	0	0	0	0	110.9	E194 F195 L200 S201 T202	E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 2.81Å; F195-A198 WeakPolarHBondContact O-CA 3.2Å; F195-A198 WeakPolarHBondContact O-CB 3.34Å; F195-A198 PolarHBondContact O-N 3.37Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 3.23Å; A198-S201 WeakPolarHBondContact O-CB 3.13Å; A198-S201 PolarHBondContact O-N 2.93Å; A198-S201 VanDerWaalsContact O-N 3.11Å; A198-S201 PolarHBondContact O-OG 3.29Å; A198-T202 PolarHBondContact O-N 2.99Å
199	V	89.1	Confident	86.9	Confident	13 Å²	13	47.5 Å²	47.5	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-37.5	172.3	177.2	0	0	0	0	111.8	F195 S201 T202 V203	F195-V199 HydrophobicContact CD2-CG2 4.32Å; F195-V199 HydrophobicContact CE1-CG2 4.24Å; F195-V199 HydrophobicContact CE2-CG2 3.8Å; F195-V199 HydrophobicContact CZ-CG2 3.77Å; F195-V199 PolarHBondContact O-N 2.89Å; V199-S201 PolarHBondContact O-N 2.79Å; V199-T202 PolarHBondContact O-N 2.89Å; V199-T202 PolarHBondContact O-OG1 3.21Å; V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.44Å
200	L	88.9	Confident	85.9	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-36.5	172.9	-176.3	73.2	0	0	0	112	E196 N197 A198 T202 V203 Q204 L219 Q222 L223 I226	E196-L200 WeakPolarHBondContact O-CB 3.47Å; E196-L200 PolarHBondContact O-N 3.22Å; N197-L200 WeakPolarHBondContact O-CB 3.22Å; N197-L200 PolarHBondContact O-N 3.39Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 3.23Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3.15Å; L200-V203 PolarHBondContact O-N 2.86Å; L200-Q204 HydrophobicContact CG-CG 4.47Å; L200-Q204 WeakPolarHBondContact O-CG 3.32Å; L200-Q204 PolarHBondContact O-N 2.91Å; L200-L219 HydrophobicContact CD1-CD1 3.67Å; L200-Q222 HydrophobicContact CB-CG 3.95Å; L200-Q222 HydrophobicContact CD1-CB 4.01Å; L200-Q222 HydrophobicContact CD1-CG 3.71Å; L200-Q222 HydrophobicContact CG-CG 4.46Å; L200-L223 HydrophobicContact CD1-CD2 3.79Å; L200-L223 HydrophobicContact CD1-CG 3.87Å; L200-L223 HydrophobicContact CD2-CD2 3.75Å; L200-L223 HydrophobicContact CG-CD2 4.44Å; L200-I226 HydrophobicContact CB-CD1 3.92Å; L200-I226 HydrophobicContact CD2-CD1 3.8Å; L200-I226 HydrophobicContact CG-CD1 4.28Å
201	S	87.5	Confident	85.1	Confident	78 Å²	78	55.1 Å²	55.1	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-70.1	-20.6	179.2	78.6	0	0	0	0	114.3	N197 A198 V199	N197-S201 PolarHBondContact O-N 3.04Å; A198-S201 WeakPolarHBondContact O-CB 3.13Å; A198-S201 PolarHBondContact O-N 2.93Å; A198-S201 VanDerWaalsContact O-N 3.11Å; A198-S201 PolarHBondContact O-OG 3.29Å; V199-S201 PolarHBondContact O-N 2.79Å
202	T	84.9	Confident	84.5	Confident	111 Å²	111	56.8 Å²	56.8	68%	0.681	35%	0.345	S	S	*	.	H	α-helix	trans	-88.6	-23.3	173.8	65.6	0	0	0	0	112.9	A198 V199 L200	A198-T202 PolarHBondContact O-N 2.99Å; V199-T202 PolarHBondContact O-N 2.89Å; V199-T202 PolarHBondContact O-OG1 3.21Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3.15Å
203	V	82.9	Confident	83.8	Confident	44 Å²	44	65.8 Å²	65.8	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-86.4	-24.1	176.3	177.6	0	0	0	0	112.4	V199 L200 L218 L219	V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.44Å; L200-V203 PolarHBondContact O-N 2.86Å; V203-L218 HydrophobicContact CG1-CB 4.12Å; V203-L219 HydrophobicContact CG1-CB 4.26Å; V203-L219 HydrophobicContact CG1-CD1 4.48Å
204	Q	79.9	Confident	83.2	Confident	98 Å²	98	72.5 Å²	72.5	46%	0.458	41%	0.41	S	S	.	.	S	Bend	trans	-64.4	126.2	177.5	-83.6	-179.7	41.2	0	0	112.2	L200 L219	L200-Q204 HydrophobicContact CG-CG 4.47Å; L200-Q204 WeakPolarHBondContact O-CG 3.32Å; L200-Q204 PolarHBondContact O-N 2.91Å; Q204-L219 HydrophobicContact CG-CD1 3.83Å
205	P	76.6	Confident	82.7	Confident	32 Å²	32	73.2 Å²	73.2	21%	0.208	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72.1	151.3	178	25.9	-29.5	0	0	0	111.9	P211	P205-P211 HydrophobicContact CG-CB 4.22Å; P205-P211 HydrophobicContact CG-CG 3.88Å
206	P	76.3	Confident	82.2	Confident	84 Å²	84	77.5 Å²	77.5	55%	0.545	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-56.3	141.9	-179.4	-27.6	35.4	0	0	0	113.4	G208 R209	P206-G208 PolarHBondContact O-N 2.66Å; P206-R209 WeakPolarHBondContact O-CB 3.43Å; P206-R209 PolarHBondContact O-N 2.94Å
207	P	73.4	Confident	81.8	Confident	144 Å²	144	82 Å²	82	94%	0.935	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	122.3	-177.7	-29.5	35.6	0	0	0	113.4
208	G	65	Low	81.6	Confident	87 Å²	87	85.1 Å²	85.1	90%	0.897	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-6.1	-179.7	0	0	0	0	0	115.7	P206	P206-G208 PolarHBondContact O-N 2.66Å
209	R	77.6	Confident	81.4	Confident	127 Å²	127	84.5 Å²	84.5	48%	0.479	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-81.4	131.3	168.2	-177.6	172.2	174.7	-122.8	-7.7	110	P206 E215	P206-R209 WeakPolarHBondContact O-CB 3.43Å; P206-R209 PolarHBondContact O-N 2.94Å; R209-E215 IonicContact CZ-OE1 3.88Å; R209-E215 IonicContact CZ-OE2 2.68Å; R209-E215 VanDerWaalsContact NH1-CD 3.32Å; R209-E215 IonicContact NH1-OE1 3.63Å; R209-E215 PolarHBondContact NH1-OE1 3.22Å; R209-E215 IonicContact NH1-OE2 2.98Å; R209-E215 PolarHBondContact NH1-OE2 3.35Å; R209-E215 IonicContact NH2-OE1 2.79Å; R209-E215 PolarHBondContact NH2-OE1 3.03Å; R209-E215 IonicContact NH2-OE2 3.91Å; R209-E215 PolarHBondContact NH2-OE2 3.4Å
210	I	74	Confident	81.4	Confident	150 Å²	150	86.8 Å²	86.8	77%	0.769	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-71.1	125.4	168	-59	176.7	0	0	0	107.6
211	P	77.2	Confident	81.6	Confident	43 Å²	43	88.8 Å²	88.8	28%	0.279	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-63.5	145.9	177.9	-15.9	28.4	0	0	0	111.4	P205 E215 Q216	P205-P211 HydrophobicContact CG-CB 4.22Å; P205-P211 HydrophobicContact CG-CG 3.88Å; P211-E215 HydrophobicContact CB-CB 4.25Å; P211-Q216 HydrophobicContact CB-CB 4.27Å
212	S	83	Confident	81.8	Confident	44 Å²	44	85.6 Å²	85.6	31%	0.308	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-63.6	162	162	103.3	0	0	0	0	110	E214 E215 Q216	S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 PolarHBondContact O-N 3.25Å; S212-E214 PolarHBondContact OG-N 3.26Å; S212-E215 PolarHBondContact N-OE2 3.33Å; S212-E215 PolarHBondContact O-N 3.34Å; S212-E215 WeakPolarHBondContact OG-CG 3.37Å; S212-E215 PolarHBondContact OG-N 3.24Å; S212-Q216 WeakPolarHBondContact O-CB 3.33Å; S212-Q216 PolarHBondContact O-N 3.49Å
213	R	83	Confident	82.1	Confident	195 Å²	195	83 Å²	83	74%	0.736	46%	0.455	S	S	*	.	H	α-helix	trans	-59.5	-40.4	175.2	179.9	176.6	169.7	-174.1	-8.9	111.8	Q216 E217	R213-Q216 PolarHBondContact O-N 3.44Å; R213-E217 IonicContact CZ-OE1 3.48Å; R213-E217 IonicContact NE-OE1 3.14Å; R213-E217 PolarHBondContact NE-OE1 3.45Å; R213-E217 IonicContact NH2-OE1 2.7Å; R213-E217 PolarHBondContact NH2-OE1 3.15Å; R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 WeakPolarHBondContact O-CG 3.38Å; R213-E217 PolarHBondContact O-N 2.98Å
214	E	82.6	Confident	82.7	Confident	145 Å²	145	84.9 Å²	84.9	68%	0.678	46%	0.461	S	S	*	.	H	α-helix	trans	-70.9	-40	179.5	-65.1	163.1	179.5	0	0	111.1	S212 Q216 E217 L218	S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 PolarHBondContact O-N 3.25Å; S212-E214 PolarHBondContact OG-N 3.26Å; E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 3.29Å; E214-E217 PolarHBondContact O-N 2.91Å; E214-L218 WeakPolarHBondContact O-CB 3.19Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 3.41Å
215	E	82.6	Confident	83.3	Confident	50 Å²	50	85.5 Å²	85.5	23%	0.234	46%	0.459	C	S	.	.	H	α-helix	trans	-61.6	-39.9	172.5	-69	171.2	167	0	0	111.3	R209 P211 S212 L219	R209-E215 IonicContact CZ-OE1 3.88Å; R209-E215 IonicContact CZ-OE2 2.68Å; R209-E215 VanDerWaalsContact NH1-CD 3.32Å; R209-E215 IonicContact NH1-OE1 3.63Å; R209-E215 PolarHBondContact NH1-OE1 3.22Å; R209-E215 IonicContact NH1-OE2 2.98Å; R209-E215 PolarHBondContact NH1-OE2 3.35Å; R209-E215 IonicContact NH2-OE1 2.79Å; R209-E215 PolarHBondContact NH2-OE1 3.03Å; R209-E215 IonicContact NH2-OE2 3.91Å; R209-E215 PolarHBondContact NH2-OE2 3.4Å; P211-E215 HydrophobicContact CB-CB 4.25Å; S212-E215 PolarHBondContact N-OE2 3.33Å; S212-E215 PolarHBondContact O-N 3.34Å; S212-E215 WeakPolarHBondContact OG-CG 3.37Å; S212-E215 PolarHBondContact OG-N 3.24Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.45Å; E215-L219 PolarHBondContact O-N 2.97Å
216	Q	84.2	Confident	84.2	Confident	95 Å²	95	84 Å²	84	44%	0.444	45%	0.449	S	S	.	.	H	α-helix	trans	-69.7	-40.6	176.8	-172.7	63.1	40.9	0	0	112.5	P211 S212 R213 E214 L219 S220	P211-Q216 HydrophobicContact CB-CB 4.27Å; S212-Q216 WeakPolarHBondContact O-CB 3.33Å; S212-Q216 PolarHBondContact O-N 3.49Å; R213-Q216 PolarHBondContact O-N 3.44Å; E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 3.29Å; Q216-L219 PolarHBondContact O-N 3.43Å; Q216-S220 WeakPolarHBondContact O-CB 3.38Å; Q216-S220 PolarHBondContact O-N 2.86Å; Q216-S220 PolarHBondContact O-OG 2.72Å
217	E	87.6	Confident	85.1	Confident	94 Å²	94	81.4 Å²	81.4	44%	0.439	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-45.1	175.9	-75.8	174.5	-175	0	0	110.3	R213 E214 S220 A221	R213-E217 IonicContact CZ-OE1 3.48Å; R213-E217 IonicContact NE-OE1 3.14Å; R213-E217 PolarHBondContact NE-OE1 3.45Å; R213-E217 IonicContact NH2-OE1 2.7Å; R213-E217 PolarHBondContact NH2-OE1 3.15Å; R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 WeakPolarHBondContact O-CG 3.38Å; R213-E217 PolarHBondContact O-N 2.98Å; E214-E217 PolarHBondContact O-N 2.91Å; E217-S220 PolarHBondContact O-N 2.64Å; E217-S220 PolarHBondContact O-OG 3.4Å; E217-A221 PolarHBondContact O-N 3.24Å
218	L	85.9	Confident	86.1	Confident	111 Å²	111	77 Å²	77	58%	0.581	40%	0.4	S	S	*	.	H	α-helix	trans	-58.7	-47.8	172.3	-77.1	165.4	0	0	0	112.8	V203 E214 S220 A221 Q222	V203-L218 HydrophobicContact CG1-CB 4.12Å; E214-L218 WeakPolarHBondContact O-CB 3.19Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 3.41Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 2.76Å; L218-A221 PolarHBondContact O-N 3.18Å; L218-Q222 WeakPolarHBondContact O-CB 3.39Å; L218-Q222 PolarHBondContact O-N 3.4Å
219	L	87.8	Confident	87.6	Confident	23 Å²	23	73 Å²	73	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-42.2	177.8	-179.9	62.5	0	0	0	111.6	L200 V203 Q204 E215 Q216 Q222 L223	L200-L219 HydrophobicContact CD1-CD1 3.67Å; V203-L219 HydrophobicContact CG1-CB 4.26Å; V203-L219 HydrophobicContact CG1-CD1 4.48Å; Q204-L219 HydrophobicContact CG-CD1 3.83Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.45Å; E215-L219 PolarHBondContact O-N 2.97Å; Q216-L219 PolarHBondContact O-N 3.43Å; L219-Q222 PolarHBondContact O-N 3.31Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 4.29Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 3.36Å
220	S	89.1	Confident	88.5	Confident	61 Å²	61	67 Å²	67	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.7	74.7	0	0	0	0	112.6	Q216 E217 L218 L223 E224	Q216-S220 WeakPolarHBondContact O-CB 3.38Å; Q216-S220 PolarHBondContact O-N 2.86Å; Q216-S220 PolarHBondContact O-OG 2.72Å; E217-S220 PolarHBondContact O-N 2.64Å; E217-S220 PolarHBondContact O-OG 3.4Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 2.76Å; S220-L223 PolarHBondContact O-N 3.02Å; S220-E224 WeakPolarHBondContact O-CB 3.5Å; S220-E224 PolarHBondContact O-N 3.33Å
221	A	92	Very high	89.5	Confident	49 Å²	49	63.3 Å²	63.3	41%	0.405	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175.8	0	0	0	0	0	111.7	E217 L218 E224 R225	E217-A221 PolarHBondContact O-N 3.24Å; L218-A221 PolarHBondContact O-N 3.18Å; A221-E224 PolarHBondContact O-N 3.4Å; A221-R225 WeakPolarHBondContact O-CG 3.3Å; A221-R225 PolarHBondContact O-N 3.39Å
222	Q	92.2	Very high	90.4	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-38.9	178.4	-170.4	59.3	24.5	0	0	112.4	E196 L200 L218 L219 R225 I226	E196-Q222 PolarHBondContact O-NE2 2.96Å; E196-Q222 PolarHBondContact OE2-NE2 3.24Å; L200-Q222 HydrophobicContact CB-CG 3.95Å; L200-Q222 HydrophobicContact CD1-CB 4.01Å; L200-Q222 HydrophobicContact CD1-CG 3.71Å; L200-Q222 HydrophobicContact CG-CG 4.46Å; L218-Q222 WeakPolarHBondContact O-CB 3.39Å; L218-Q222 PolarHBondContact O-N 3.4Å; L219-Q222 PolarHBondContact O-N 3.31Å; Q222-R225 PolarHBondContact O-N 2.82Å; Q222-I226 PolarHBondContact O-N 3.43Å
223	L	91.8	Very high	91.1	Very high	57 Å²	57	63.2 Å²	63.2	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-43.6	172.2	-73.2	168.7	0	0	0	111.9	L200 L219 S220 R225 I226 H227 W251	L200-L223 HydrophobicContact CD1-CD2 3.79Å; L200-L223 HydrophobicContact CD1-CG 3.87Å; L200-L223 HydrophobicContact CD2-CD2 3.75Å; L200-L223 HydrophobicContact CG-CD2 4.44Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 4.29Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 3.36Å; S220-L223 PolarHBondContact O-N 3.02Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 3.11Å; L223-I226 PolarHBondContact O-N 2.9Å; L223-I226 VanDerWaalsContact O-N 3.14Å; L223-H227 PolarHBondContact O-CD2 2.82Å; L223-H227 VanDerWaalsContact O-CD2 3.27Å; L223-H227 PolarHBondContact O-N 2.92Å; L223-W251 HydrophobicContact CD2-CH2 4Å; L223-W251 HydrophobicContact CD2-CZ2 4.11Å
224	E	93.9	Very high	91.7	Very high	84 Å²	84	54 Å²	54	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-69	-27.7	-179.7	-178.1	60.5	-178.6	0	0	112.8	S220 A221 H227 T228 R231	S220-E224 WeakPolarHBondContact O-CB 3.5Å; S220-E224 PolarHBondContact O-N 3.33Å; A221-E224 PolarHBondContact O-N 3.4Å; E224-H227 IonicContact OE2-CD2 3.93Å; E224-T228 VanDerWaalsContact O-CB 3.24Å; E224-T228 WeakPolarHBondContact O-CB 3.22Å; E224-T228 PolarHBondContact O-N 3Å; E224-T228 PolarHBondContact O-OG1 3.08Å; E224-R231 IonicContact OE1-CZ 3.22Å; E224-R231 IonicContact OE1-NH1 2.72Å; E224-R231 PolarHBondContact OE1-NH1 3.27Å; E224-R231 IonicContact OE1-NH2 3.31Å; E224-R231 PolarHBondContact OE1-NH2 3.34Å; E224-R231 IonicContact OE2-CZ 2.8Å; E224-R231 IonicContact OE2-NH1 3.08Å; E224-R231 PolarHBondContact OE2-NH1 2.7Å; E224-R231 IonicContact OE2-NH2 2.74Å; E224-R231 PolarHBondContact OE2-NH2 3.47Å
225	R	94.3	Very high	92.2	Very high	110 Å²	110	49.2 Å²	49.2	42%	0.415	25%	0.25	S	S	.	.	H	α-helix	trans	-59.5	-50.1	166.2	-74.3	175	-170.7	-87.4	0.7	111.3	A221 Q222 L223 T228 L229	A221-R225 WeakPolarHBondContact O-CG 3.3Å; A221-R225 PolarHBondContact O-N 3.39Å; Q222-R225 PolarHBondContact O-N 2.82Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 3.11Å; R225-T228 CarbonylContact O-C 3.56Å; R225-T228 WeakPolarHBondContact O-CA 3.41Å; R225-T228 WeakPolarHBondContact O-CB 3.49Å; R225-T228 PolarHBondContact O-N 3.45Å; R225-T228 VanDerWaalsContact O-N 3.07Å; R225-L229 PolarHBondContact O-N 2.93Å
226	I	94.7	Very high	92.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-44.1	-178.8	-61.3	161.2	0	0	0	110.8	E196 L200 Q222 L223 T228 L229 F230 W251	E196-I226 HydrophobicContact CB-CD1 4.5Å; E196-I226 HydrophobicContact CB-CG1 3.82Å; L200-I226 HydrophobicContact CB-CD1 3.92Å; L200-I226 HydrophobicContact CD2-CD1 3.8Å; L200-I226 HydrophobicContact CG-CD1 4.28Å; Q222-I226 PolarHBondContact O-N 3.43Å; L223-I226 PolarHBondContact O-N 2.9Å; L223-I226 VanDerWaalsContact O-N 3.14Å; I226-T228 VanDerWaalsContact C-N 3.26Å; I226-T228 PolarHBondContact O-N 3.43Å; I226-L229 PolarHBondContact O-N 3.04Å; I226-F230 HydrophobicContact CG2-CD2 3.92Å; I226-F230 HydrophobicContact CG2-CE2 3.74Å; I226-F230 VanDerWaalsContact O-CD2 3.29Å; I226-F230 WeakPolarHBondContact O-CD2 3.22Å; I226-F230 PolarHBondContact O-N 2.95Å; I226-F230 VanDerWaalsContact O-N 3.11Å; I226-W251 HydrophobicContact CB-CH2 3.75Å; I226-W251 HydrophobicContact CB-CZ2 3.84Å; I226-W251 HydrophobicContact CD1-CZ2 4.01Å; I226-W251 HydrophobicContact CG2-CH2 3.55Å; I226-W251 HydrophobicContact CG2-CZ2 3.36Å; I226-W251 HydrophobicContact CG2-CZ3 4.21Å
227	H	94.7	Very high	93.3	Very high	30 Å²	30	43.7 Å²	43.7	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-43.5	170.1	-76.6	-80.4	0	0	0	111.1	L223 E224 L229 F230 R231 Y248 W251 S252	L223-H227 PolarHBondContact O-CD2 2.82Å; L223-H227 VanDerWaalsContact O-CD2 3.27Å; L223-H227 PolarHBondContact O-N 2.92Å; E224-H227 IonicContact OE2-CD2 3.93Å; H227-L229 PolarHBondContact O-N 3.27Å; H227-F230 PolarHBondContact O-N 3.12Å; H227-R231 WeakPolarHBondContact O-CB 3.42Å; H227-R231 WeakPolarHBondContact O-CG 3.47Å; H227-R231 PolarHBondContact O-N 2.92Å; H227-Y248 HydrophobicContact CB-CE2 4.45Å; H227-Y248 AromaticContact ND1-CE2 3.5Å; H227-Y248 AromaticContact ND1-CZ 3.64Å; H227-Y248 PolarHBondContact ND1-OH 3.33Å; H227-Y248 PolarHBondContact O-OH 3.24Å; H227-W251 AromaticContact CD2-CZ3 3.84Å; H227-W251 AromaticContact CE1-CZ3 3.64Å; H227-W251 AromaticContact CG-CZ3 3.82Å; H227-W251 AromaticContact ND1-CZ3 3.72Å; H227-W251 AromaticContact NE2-CZ3 3.72Å; H227-S252 PolarHBondContact CE1-OG 3.35Å
228	T	95.6	Very high	93.6	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.319	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-38.3	179.6	-63.6	0	0	0	0	112.6	E224 R225 I226 R231 R232	E224-T228 VanDerWaalsContact O-CB 3.24Å; E224-T228 WeakPolarHBondContact O-CB 3.22Å; E224-T228 PolarHBondContact O-N 3Å; E224-T228 PolarHBondContact O-OG1 3.08Å; R225-T228 CarbonylContact O-C 3.56Å; R225-T228 WeakPolarHBondContact O-CA 3.41Å; R225-T228 WeakPolarHBondContact O-CB 3.49Å; R225-T228 PolarHBondContact O-N 3.45Å; R225-T228 VanDerWaalsContact O-N 3.07Å; I226-T228 VanDerWaalsContact C-N 3.26Å; I226-T228 PolarHBondContact O-N 3.43Å; T228-R231 PolarHBondContact O-N 3.17Å; T228-R232 HydrophobicContact CG2-CG 4.38Å; T228-R232 WeakPolarHBondContact O-CB 3.39Å; T228-R232 VanDerWaalsContact O-CG 3.25Å; T228-R232 WeakPolarHBondContact O-CG 3.44Å; T228-R232 PolarHBondContact O-N 2.98Å
229	L	96.1	Very high	93.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-48.2	173.4	-66.7	-176.7	0	0	0	111.9	W189 Y192 R193 E196 R225 I226 H227 R231 R232 Q233	W189-L229 HydrophobicContact CZ3-CD2 4.41Å; Y192-L229 HydrophobicContact CD1-CD1 3.96Å; Y192-L229 HydrophobicContact CD1-CD2 3.59Å; Y192-L229 HydrophobicContact CD1-CG 4.45Å; Y192-L229 HydrophobicContact CD2-CD1 4.01Å; Y192-L229 HydrophobicContact CE1-CD1 4.23Å; Y192-L229 HydrophobicContact CE1-CD2 3.45Å; Y192-L229 VanDerWaalsContact CE1-CD2 3.45Å; Y192-L229 HydrophobicContact CE1-CG 4.48Å; Y192-L229 HydrophobicContact CE2-CD1 4.24Å; Y192-L229 HydrophobicContact CG-CD1 3.84Å; Y192-L229 HydrophobicContact CG-CD2 4.33Å; R193-L229 HydrophobicContact CG-CB 4.12Å; R193-L229 HydrophobicContact CG-CD1 4.28Å; E196-L229 HydrophobicContact CB-CD1 4.4Å; E196-L229 HydrophobicContact CG-CD1 4Å; R225-L229 PolarHBondContact O-N 2.93Å; I226-L229 PolarHBondContact O-N 3.04Å; H227-L229 PolarHBondContact O-N 3.27Å; L229-R231 PolarHBondContact O-N 2.87Å; L229-R232 PolarHBondContact O-N 3.21Å; L229-Q233 PolarHBondContact O-N 2.87Å
230	F	96.1	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-47.8	174.1	-80	-69.7	0	0	0	112.1	R193 I226 H227 R232 Q233 L234 T244 E247 Y248 W251	R193-F230 VanDerWaalsContact CD-CE1 3.41Å; R193-F230 VanDerWaalsContact CD-CZ 3.48Å; R193-F230 VanDerWaalsContact NE-CE1 3.3Å; I226-F230 HydrophobicContact CG2-CD2 3.92Å; I226-F230 HydrophobicContact CG2-CE2 3.74Å; I226-F230 VanDerWaalsContact O-CD2 3.29Å; I226-F230 WeakPolarHBondContact O-CD2 3.22Å; I226-F230 PolarHBondContact O-N 2.95Å; I226-F230 VanDerWaalsContact O-N 3.11Å; H227-F230 PolarHBondContact O-N 3.12Å; F230-R232 VanDerWaalsContact C-N 3.28Å; F230-R232 PolarHBondContact O-N 3.4Å; F230-Q233 PolarHBondContact O-N 3.07Å; F230-L234 VanDerWaalsContact O-CB 3.32Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.35Å; F230-L234 PolarHBondContact O-N 3.39Å; F230-T244 HydrophobicContact CD1-CG2 4.03Å; F230-T244 HydrophobicContact CE1-CG2 4.28Å; F230-E247 HydrophobicContact CE1-CB 4.36Å; F230-E247 HydrophobicContact CE1-CG 3.99Å; F230-E247 VanDerWaalsContact CE1-OE1 3.28Å; F230-E247 WeakPolarHBondContact CE1-OE1 3.43Å; F230-E247 HydrophobicContact CZ-CG 4.03Å; F230-E247 WeakPolarHBondContact CZ-OE1 3.47Å; F230-Y248 HydrophobicContact CB-CD1 4.15Å; F230-Y248 HydrophobicContact CB-CD2 3.42Å; F230-Y248 VanDerWaalsContact CB-CD2 3.42Å; F230-Y248 HydrophobicContact CB-CE1 4.21Å; F230-Y248 HydrophobicContact CB-CE2 3.47Å; F230-Y248 VanDerWaalsContact CB-CE2 3.47Å; F230-Y248 HydrophobicContact CB-CG 3.76Å; F230-Y248 AromaticContact CD1-CD2 3.82Å; F230-Y248 HydrophobicContact CD1-CD2 3.82Å; F230-Y248 AromaticContact CD1-CG 3.96Å; F230-Y248 HydrophobicContact CD1-CG 3.96Å; F230-Y248 AromaticContact CD2-CD2 3.29Å; F230-Y248 HydrophobicContact CD2-CD2 3.29Å; F230-Y248 AromaticContact CD2-CE2 3.58Å; F230-Y248 HydrophobicContact CD2-CE2 3.58Å; F230-Y248 HydrophobicContact CD2-CG 4.24Å; F230-Y248 HydrophobicContact CE1-CD2 4.31Å; F230-Y248 AromaticContact CE2-CD2 3.85Å; F230-Y248 HydrophobicContact CE2-CD2 3.85Å; F230-Y248 HydrophobicContact CE2-CE2 4.42Å; F230-Y248 AromaticContact CG-CD2 3.25Å; F230-Y248 HydrophobicContact CG-CD2 3.25Å; F230-Y248 AromaticContact CG-CE2 3.71Å; F230-Y248 HydrophobicContact CG-CE2 3.71Å; F230-Y248 AromaticContact CG-CG 3.77Å; F230-Y248 HydrophobicContact CG-CG 3.77Å; F230-Y248 HydrophobicContact CZ-CD2 4.32Å; F230-W251 HydrophobicContact CD2-CE3 4.39Å; F230-W251 AromaticContact CE2-CD2 3.9Å; F230-W251 HydrophobicContact CE2-CD2 3.9Å; F230-W251 HydrophobicContact CE2-CE3 4.01Å; F230-W251 HydrophobicContact CE2-CG 4.14Å; F230-W251 HydrophobicContact CZ-CG 4.42Å
231	R	95.4	Very high	93.8	Very high	73 Å²	73	37.1 Å²	37.1	28%	0.275	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-35.6	179.1	-67.9	177.8	-153.5	145.6	1.2	112.7	E224 H227 T228 L229 Y248 V260	E224-R231 IonicContact OE1-CZ 3.22Å; E224-R231 IonicContact OE1-NH1 2.72Å; E224-R231 PolarHBondContact OE1-NH1 3.27Å; E224-R231 IonicContact OE1-NH2 3.31Å; E224-R231 PolarHBondContact OE1-NH2 3.34Å; E224-R231 IonicContact OE2-CZ 2.8Å; E224-R231 IonicContact OE2-NH1 3.08Å; E224-R231 PolarHBondContact OE2-NH1 2.7Å; E224-R231 IonicContact OE2-NH2 2.74Å; E224-R231 PolarHBondContact OE2-NH2 3.47Å; H227-R231 WeakPolarHBondContact O-CB 3.42Å; H227-R231 WeakPolarHBondContact O-CG 3.47Å; H227-R231 PolarHBondContact O-N 2.92Å; T228-R231 PolarHBondContact O-N 3.17Å; L229-R231 PolarHBondContact O-N 2.87Å; R231-Y248 HydrophobicContact CG-CE1 4.47Å; R231-Y248 PolarHBondContact NE-OH 3.48Å; R231-V260 HydrophobicContact CB-CG2 4.42Å; R231-V260 HydrophobicContact CG-CG1 4.2Å; R231-V260 HydrophobicContact CG-CG2 3.66Å
232	R	96.4	Very high	93.9	Very high	83 Å²	83	38.5 Å²	38.5	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-72.6	-51.3	176.5	-73.4	168	65.4	-170.7	2.4	111.5	E172 W189 T228 L229 F230 L234 A235	E172-R232 VanDerWaalsContact CD-NH1 3.25Å; E172-R232 IonicContact OE1-CZ 2.67Å; E172-R232 IonicContact OE1-NH1 3.93Å; E172-R232 PolarHBondContact OE1-NH1 2.98Å; E172-R232 IonicContact OE1-NH2 2.73Å; E172-R232 IonicContact OE2-CZ 2.65Å; E172-R232 VanDerWaalsContact OE2-CZ 3.27Å; E172-R232 IonicContact OE2-NH1 3.73Å; E172-R232 PolarHBondContact OE2-NH1 3.18Å; E172-R232 IonicContact OE2-NH2 3.19Å; E172-R232 PolarHBondContact OE2-NH2 3.07Å; W189-R232 HydrophobicContact CH2-CB 3.61Å; W189-R232 HydrophobicContact CZ3-CB 3.78Å; T228-R232 HydrophobicContact CG2-CG 4.38Å; T228-R232 WeakPolarHBondContact O-CB 3.39Å; T228-R232 VanDerWaalsContact O-CG 3.25Å; T228-R232 WeakPolarHBondContact O-CG 3.44Å; T228-R232 PolarHBondContact O-N 2.98Å; L229-R232 PolarHBondContact O-N 3.21Å; F230-R232 VanDerWaalsContact C-N 3.28Å; F230-R232 PolarHBondContact O-N 3.4Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.15Å; R232-A235 WeakPolarHBondContact O-CB 3.2Å; R232-A235 PolarHBondContact O-N 3.29Å; R232-A235 VanDerWaalsContact O-N 3.13Å
233	Q	96.1	Very high	94	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-43.4	179.5	-173.3	-176.2	-1.2	0	0	111.6	W189 L229 F230 A235 V236 L238 T244	W189-Q233 HydrophobicContact CB-CB 4.37Å; W189-Q233 HydrophobicContact CB-CG 3.9Å; W189-Q233 HydrophobicContact CD2-CB 3.73Å; W189-Q233 HydrophobicContact CD2-CG 3.9Å; W189-Q233 HydrophobicContact CE3-CB 3.87Å; W189-Q233 HydrophobicContact CG-CB 4Å; W189-Q233 HydrophobicContact CG-CG 3.63Å; W189-Q233 HydrophobicContact CZ3-CB 4.39Å; L229-Q233 PolarHBondContact O-N 2.87Å; F230-Q233 PolarHBondContact O-N 3.07Å; Q233-A235 PolarHBondContact O-N 2.99Å; Q233-A235 VanDerWaalsContact O-N 3.12Å; Q233-V236 WeakPolarHBondContact O-CB 3.27Å; Q233-V236 PolarHBondContact O-N 3.46Å; Q233-L238 HydrophobicContact CG-CD1 3.85Å; Q233-T244 HydrophobicContact CG-CG2 4.49Å; Q233-T244 PolarHBondContact NE2-OG1 2.94Å
234	L	95.7	Very high	94.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.2	-179.4	-68.3	172.6	0	0	0	113.8	F230 R232 T244 Y245 Y248 V260 Y264	F230-L234 VanDerWaalsContact O-CB 3.32Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.35Å; F230-L234 PolarHBondContact O-N 3.39Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.15Å; L234-T244 HydrophobicContact CD2-CG2 4.01Å; L234-T244 HydrophobicContact CG-CG2 4.41Å; L234-Y245 HydrophobicContact CD1-CD2 4.42Å; L234-Y248 HydrophobicContact CD1-CD1 3.75Å; L234-Y248 HydrophobicContact CD1-CE1 4.49Å; L234-Y248 HydrophobicContact CD1-CG 4.28Å; L234-V260 HydrophobicContact CB-CG1 4.45Å; L234-V260 HydrophobicContact CD1-CG1 4.21Å; L234-Y264 HydrophobicContact CB-CD2 4.45Å; L234-Y264 HydrophobicContact CD2-CD2 3.87Å; L234-Y264 HydrophobicContact CD2-CE2 4.2Å; L234-Y264 VanDerWaalsContact O-CA 3.25Å; L234-Y264 WeakPolarHBondContact O-CA 3.41Å
235	A	95.1	Very high	94.2	Very high	45 Å²	45	35.1 Å²	35.1	37%	0.372	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.1	171.1	0	0	0	0	0	113.6	R232 Q233 L263	R232-A235 WeakPolarHBondContact O-CB 3.2Å; R232-A235 PolarHBondContact O-N 3.29Å; R232-A235 VanDerWaalsContact O-N 3.13Å; Q233-A235 PolarHBondContact O-N 2.99Å; Q233-A235 VanDerWaalsContact O-N 3.12Å; A235-L263 HydrophobicContact CB-CB 4.27Å
236	V	94.4	Very high	94.2	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.085	17%	0.173	C	C	.	.	S	Bend	trans	-100.7	134.3	179.8	-177.6	0	0	0	0	110.2	L180 W189 Q233 L238 M241	L180-V236 HydrophobicContact CD2-CB 4.4Å; L180-V236 HydrophobicContact CD2-CG1 3.67Å; L180-V236 HydrophobicContact CD2-CG2 3.83Å; W189-V236 HydrophobicContact CZ2-CG2 4.23Å; Q233-V236 WeakPolarHBondContact O-CB 3.27Å; Q233-V236 PolarHBondContact O-N 3.46Å; V236-L238 HydrophobicContact CB-CG 4.37Å; V236-L238 HydrophobicContact CG1-CD1 4.48Å; V236-L238 HydrophobicContact CG1-CD2 3.92Å; V236-L238 HydrophobicContact CG1-CG 3.91Å; V236-L238 PolarHBondContact O-N 3.29Å; V236-M241 WeakPolarHBondContact O-CE 3.42Å
237	P	95	Very high	94.1	Very high	16 Å²	16	35 Å²	35	10%	0.104	19%	0.185	C	C	.	.			trans	-70.4	115	169	29.6	-33.1	0	0	0	110.3	M182 Q270 K271	M182-P237 HydrophobicContact CE-CB 4.06Å; M182-P237 HydrophobicContact CE-CG 4.27Å; M182-P237 HydrophobicContact SD-CB 4.35Å; P237-Q270 HydrophobicContact CB-CB 4.35Å; P237-Q270 HydrophobicContact CG-CB 4.43Å; P237-Q270 HydrophobicContact CG-CG 4.47Å; P237-K271 HydrophobicContact CB-CB 3.98Å
238	L	93.9	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.			trans	-134.5	155.5	175.5	-60.2	172.7	0	0	0	109.8	Q186 Q233 V236 D240 M241 K271	Q186-L238 HydrophobicContact CB-CD1 4.31Å; Q233-L238 HydrophobicContact CG-CD1 3.85Å; V236-L238 HydrophobicContact CB-CG 4.37Å; V236-L238 HydrophobicContact CG1-CD1 4.48Å; V236-L238 HydrophobicContact CG1-CD2 3.92Å; V236-L238 HydrophobicContact CG1-CG 3.91Å; V236-L238 PolarHBondContact O-N 3.29Å; L238-D240 PolarHBondContact O-N 3.41Å; L238-M241 HydrophobicContact CB-CB 4.34Å; L238-M241 WeakPolarHBondContact O-CG 3.19Å; L238-M241 PolarHBondContact O-N 3.25Å; L238-K271 WeakPolarHBondContact O-CD 3.43Å
239	M	87.8	Confident	94	Very high	53 Å²	53	36.3 Å²	36.3	26%	0.261	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.3	-169.4	-72	-56.5	-68.6	0	0	115.6	M182 T183 K271	M182-M239 HydrophobicContact CG-CG 3.93Å; M182-M239 HydrophobicContact CG-SD 3.82Å; M182-M239 PolarHBondContact O-N 2.95Å; M182-M239 HydrophobicContact SD-SD 4.28Å; T183-M239 HydrophobicContact CG2-CG 3.91Å; M239-K271 WeakPolarHBondContact O-CE 3.26Å; M239-K271 PolarHBondContact O-NZ 2.88Å
240	D	86.4	Confident	93.9	Very high	96 Å²	96	43.7 Å²	43.7	51%	0.513	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	27.8	-177.8	-68.9	-62	0	0	0	113	L238 E242 T243	L238-D240 PolarHBondContact O-N 3.41Å; D240-E242 PolarHBondContact O-N 3.04Å; D240-T243 HydrophobicContact CB-CG2 4.27Å; D240-T243 WeakPolarHBondContact O-CB 3.4Å; D240-T243 PolarHBondContact O-N 2.83Å; D240-T243 PolarHBondContact O-OG1 2.87Å
241	M	92.1	Very high	93.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-22.3	-177	68	-177.1	-67.9	0	0	114.8	V236 L238 T243 T244 Y245 Y264 A267 L268 K271	V236-M241 WeakPolarHBondContact O-CE 3.42Å; L238-M241 HydrophobicContact CB-CB 4.34Å; L238-M241 WeakPolarHBondContact O-CG 3.19Å; L238-M241 PolarHBondContact O-N 3.25Å; M241-T243 PolarHBondContact O-N 3.21Å; M241-T244 WeakPolarHBondContact O-CB 3.44Å; M241-T244 PolarHBondContact O-N 3.05Å; M241-Y245 PolarHBondContact O-N 3.3Å; M241-Y264 HydrophobicContact CE-CD2 3.49Å; M241-Y264 VanDerWaalsContact CE-CD2 3.49Å; M241-Y264 HydrophobicContact CE-CE2 3.8Å; M241-Y264 HydrophobicContact CG-CE2 4.26Å; M241-A267 HydrophobicContact CE-CB 3.43Å; M241-A267 VanDerWaalsContact CE-CB 3.43Å; M241-A267 HydrophobicContact SD-CB 4.27Å; M241-L268 HydrophobicContact CE-CD2 4.43Å; M241-L268 HydrophobicContact CE-CG 4.39Å; M241-L268 HydrophobicContact CG-CD2 3.78Å; M241-L268 HydrophobicContact SD-CD2 3.84Å; M241-L268 HydrophobicContact SD-CG 4.32Å; M241-K271 HydrophobicContact CG-CD 4.36Å; M241-K271 HydrophobicContact SD-CB 4.5Å; M241-K271 HydrophobicContact SD-CD 4.27Å
242	E	93.9	Very high	93.5	Very high	79 Å²	79	43 Å²	43	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-58.9	-35	170.6	-65.3	87.1	151.2	0	0	112.1	D240 Y245 A246 Y264 L268 K271	D240-E242 PolarHBondContact O-N 3.04Å; E242-Y245 PolarHBondContact O-N 3.28Å; E242-A246 PolarHBondContact O-N 3.2Å; E242-A246 VanDerWaalsContact O-N 3.16Å; E242-Y264 WeakPolarHBondContact CA-OH 3.36Å; E242-L268 HydrophobicContact CG-CD2 3.94Å; E242-K271 IonicContact OE1-NZ 3.71Å; E242-K271 PolarHBondContact OE1-NZ 3.37Å; E242-K271 IonicContact OE2-NZ 3.53Å; E242-K271 PolarHBondContact OE2-NZ 3.03Å
243	T	94.2	Very high	93	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-72.1	-34	178.3	72.1	0	0	0	0	111.8	D240 M241 E247	D240-T243 HydrophobicContact CB-CG2 4.27Å; D240-T243 WeakPolarHBondContact O-CB 3.4Å; D240-T243 PolarHBondContact O-N 2.83Å; D240-T243 PolarHBondContact O-OG1 2.87Å; M241-T243 PolarHBondContact O-N 3.21Å; T243-E247 WeakPolarHBondContact O-CB 3.46Å; T243-E247 PolarHBondContact O-N 2.87Å
244	T	94.7	Very high	92.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69.8	-35.7	172.5	-48.3	0	0	0	0	111.7	F230 Q233 L234 M241 E247 Y248	F230-T244 HydrophobicContact CD1-CG2 4.03Å; F230-T244 HydrophobicContact CE1-CG2 4.28Å; Q233-T244 HydrophobicContact CG-CG2 4.49Å; Q233-T244 PolarHBondContact NE2-OG1 2.94Å; L234-T244 HydrophobicContact CD2-CG2 4.01Å; L234-T244 HydrophobicContact CG-CG2 4.41Å; M241-T244 WeakPolarHBondContact O-CB 3.44Å; M241-T244 PolarHBondContact O-N 3.05Å; T244-E247 PolarHBondContact O-N 3.43Å; T244-Y248 PolarHBondContact O-N 3.24Å
245	Y	95	Very high	92.1	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-47.2	175.5	179.9	-82.3	0	0	0	110.7	L234 M241 E242 E247 Y248 E249 V256 V261 Y264	L234-Y245 HydrophobicContact CD1-CD2 4.42Å; M241-Y245 PolarHBondContact O-N 3.3Å; E242-Y245 PolarHBondContact O-N 3.28Å; Y245-E247 VanDerWaalsContact C-N 3.34Å; Y245-E247 PolarHBondContact O-N 2.83Å; Y245-Y248 PolarHBondContact O-N 3.33Å; Y245-E249 HydrophobicContact CE1-CB 4.37Å; Y245-E249 VanDerWaalsContact CE1-OE1 3.25Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.28Å; Y245-E249 PolarHBondContact O-N 3Å; Y245-E249 PolarHBondContact OH-OE1 2.87Å; Y245-V256 HydrophobicContact CE2-CB 4.42Å; Y245-V256 HydrophobicContact CE2-CG1 4Å; Y245-V256 HydrophobicContact CE2-CG2 4.31Å; Y245-V261 HydrophobicContact CE2-CG2 4.35Å; Y245-Y264 VanDerWaalsContact CB-CZ 3.49Å; Y245-Y264 HydrophobicContact CD1-CE1 4.3Å; Y245-Y264 AromaticContact CD2-CD1 3.41Å; Y245-Y264 HydrophobicContact CD2-CD1 3.41Å; Y245-Y264 VanDerWaalsContact CD2-CD1 3.41Å; Y245-Y264 HydrophobicContact CD2-CD2 4.05Å; Y245-Y264 AromaticContact CD2-CE1 3.45Å; Y245-Y264 HydrophobicContact CD2-CE1 3.45Å; Y245-Y264 VanDerWaalsContact CD2-CE1 3.45Å; Y245-Y264 HydrophobicContact CD2-CE2 4.11Å; Y245-Y264 AromaticContact CD2-CG 3.72Å; Y245-Y264 HydrophobicContact CD2-CG 3.72Å; Y245-Y264 AromaticContact CD2-CZ 3.8Å; Y245-Y264 AromaticContact CE2-CD1 3.81Å; Y245-Y264 HydrophobicContact CE2-CD1 3.81Å; Y245-Y264 HydrophobicContact CE2-CE1 4.02Å; Y245-Y264 HydrophobicContact CE2-CG 4.37Å; Y245-Y264 HydrophobicContact CG-CD1 4.1Å; Y245-Y264 HydrophobicContact CG-CD2 4.49Å; Y245-Y264 AromaticContact CG-CE1 3.64Å; Y245-Y264 HydrophobicContact CG-CE1 3.64Å; Y245-Y264 HydrophobicContact CG-CE2 4.1Å; Y245-Y264 HydrophobicContact CG-CG 4.49Å; Y245-Y264 AromaticContact CG-CZ 3.63Å
246	A	94.5	Very high	91.9	Very high	53 Å²	53	53.4 Å²	53.4	44%	0.438	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-38.4	176.5	0	0	0	0	0	112.6	E242 E249 E250	E242-A246 PolarHBondContact O-N 3.2Å; E242-A246 VanDerWaalsContact O-N 3.16Å; A246-E249 PolarHBondContact O-N 2.86Å; A246-E250 PolarHBondContact O-N 2.92Å
247	E	94.2	Very high	91.8	Very high	54 Å²	54	55.3 Å²	55.3	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-44.6	171.9	-176	-164.3	146.6	0	0	111.7	R193 F230 T243 T244 Y245 E249 E250 W251	R193-E247 IonicContact CZ-OE1 3.37Å; R193-E247 IonicContact CZ-OE2 3.44Å; R193-E247 IonicContact NE-OE1 3.18Å; R193-E247 PolarHBondContact NE-OE1 3.31Å; R193-E247 IonicContact NE-OE2 3.55Å; R193-E247 VanDerWaalsContact NH2-CD 3.34Å; R193-E247 IonicContact NH2-OE1 2.68Å; R193-E247 PolarHBondContact NH2-OE1 2.96Å; R193-E247 IonicContact NH2-OE2 3.49Å; R193-E247 PolarHBondContact NH2-OE2 3.37Å; F230-E247 HydrophobicContact CE1-CB 4.36Å; F230-E247 HydrophobicContact CE1-CG 3.99Å; F230-E247 VanDerWaalsContact CE1-OE1 3.28Å; F230-E247 WeakPolarHBondContact CE1-OE1 3.43Å; F230-E247 HydrophobicContact CZ-CG 4.03Å; F230-E247 WeakPolarHBondContact CZ-OE1 3.47Å; T243-E247 WeakPolarHBondContact O-CB 3.46Å; T243-E247 PolarHBondContact O-N 2.87Å; T244-E247 PolarHBondContact O-N 3.43Å; Y245-E247 VanDerWaalsContact C-N 3.34Å; Y245-E247 PolarHBondContact O-N 2.83Å; E247-E249 VanDerWaalsContact C-N 3.35Å; E247-E249 PolarHBondContact O-N 2.89Å; E247-E250 PolarHBondContact O-N 2.75Å; E247-W251 WeakPolarHBondContact O-CB 3.4Å; E247-W251 PolarHBondContact O-N 2.74Å
248	Y	94.8	Very high	91.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.5	-33.5	179.2	-169.2	-137.6	0	0	0	112.8	H227 F230 R231 L234 T244 Y245 W251 S252 V256 V260	H227-Y248 HydrophobicContact CB-CE2 4.45Å; H227-Y248 AromaticContact ND1-CE2 3.5Å; H227-Y248 AromaticContact ND1-CZ 3.64Å; H227-Y248 PolarHBondContact ND1-OH 3.33Å; H227-Y248 PolarHBondContact O-OH 3.24Å; F230-Y248 HydrophobicContact CB-CD1 4.15Å; F230-Y248 HydrophobicContact CB-CD2 3.42Å; F230-Y248 VanDerWaalsContact CB-CD2 3.42Å; F230-Y248 HydrophobicContact CB-CE1 4.21Å; F230-Y248 HydrophobicContact CB-CE2 3.47Å; F230-Y248 VanDerWaalsContact CB-CE2 3.47Å; F230-Y248 HydrophobicContact CB-CG 3.76Å; F230-Y248 AromaticContact CD1-CD2 3.82Å; F230-Y248 HydrophobicContact CD1-CD2 3.82Å; F230-Y248 AromaticContact CD1-CG 3.96Å; F230-Y248 HydrophobicContact CD1-CG 3.96Å; F230-Y248 AromaticContact CD2-CD2 3.29Å; F230-Y248 HydrophobicContact CD2-CD2 3.29Å; F230-Y248 AromaticContact CD2-CE2 3.58Å; F230-Y248 HydrophobicContact CD2-CE2 3.58Å; F230-Y248 HydrophobicContact CD2-CG 4.24Å; F230-Y248 HydrophobicContact CE1-CD2 4.31Å; F230-Y248 AromaticContact CE2-CD2 3.85Å; F230-Y248 HydrophobicContact CE2-CD2 3.85Å; F230-Y248 HydrophobicContact CE2-CE2 4.42Å; F230-Y248 AromaticContact CG-CD2 3.25Å; F230-Y248 HydrophobicContact CG-CD2 3.25Å; F230-Y248 AromaticContact CG-CE2 3.71Å; F230-Y248 HydrophobicContact CG-CE2 3.71Å; F230-Y248 AromaticContact CG-CG 3.77Å; F230-Y248 HydrophobicContact CG-CG 3.77Å; F230-Y248 HydrophobicContact CZ-CD2 4.32Å; R231-Y248 HydrophobicContact CG-CE1 4.47Å; R231-Y248 PolarHBondContact NE-OH 3.48Å; L234-Y248 HydrophobicContact CD1-CD1 3.75Å; L234-Y248 HydrophobicContact CD1-CE1 4.49Å; L234-Y248 HydrophobicContact CD1-CG 4.28Å; T244-Y248 PolarHBondContact O-N 3.24Å; Y245-Y248 PolarHBondContact O-N 3.33Å; Y248-W251 HydrophobicContact CD2-CE3 4.28Å; Y248-W251 HydrophobicContact CE2-CE3 4.26Å; Y248-W251 HydrophobicContact CE2-CZ3 4.44Å; Y248-W251 PolarHBondContact O-N 3.37Å; Y248-S252 WeakPolarHBondContact O-CB 3.38Å; Y248-S252 PolarHBondContact O-N 2.89Å; Y248-V256 HydrophobicContact CD1-CB 4.4Å; Y248-V256 HydrophobicContact CD1-CG1 3.95Å; Y248-V256 HydrophobicContact CD1-CG2 3.75Å; Y248-V256 HydrophobicContact CE1-CG1 4Å; Y248-V256 HydrophobicContact CE1-CG2 4.31Å; Y248-V256 HydrophobicContact CG-CG2 4.43Å; Y248-V260 HydrophobicContact CE1-CG1 4.36Å
249	E	93.4	Very high	91.7	Very high	110 Å²	110	66.5 Å²	66.5	51%	0.514	35%	0.351	S	S	.	.	H	α-helix	trans	-71.2	-34	175.6	-164.6	166.8	-99.2	0	0	112.3	Y245 A246 E247 V256	Y245-E249 HydrophobicContact CE1-CB 4.37Å; Y245-E249 VanDerWaalsContact CE1-OE1 3.25Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.28Å; Y245-E249 PolarHBondContact O-N 3Å; Y245-E249 PolarHBondContact OH-OE1 2.87Å; A246-E249 PolarHBondContact O-N 2.86Å; E247-E249 VanDerWaalsContact C-N 3.35Å; E247-E249 PolarHBondContact O-N 2.89Å; E249-V256 HydrophobicContact CB-CG2 4.08Å; E249-V256 HydrophobicContact CG-CG2 4.39Å
250	E	93	Very high	92	Very high	160 Å²	160	64.2 Å²	64.2	75%	0.748	34%	0.34	S	S	*	.	H	α-helix	trans	-74.9	-32.9	170.6	-170.3	179.8	170.9	0	0	112.5	A246 E247	A246-E250 PolarHBondContact O-N 2.92Å; E247-E250 PolarHBondContact O-N 2.75Å
251	W	92.6	Very high	92.4	Very high	48 Å²	48	60.6 Å²	60.6	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-82.8	-34.2	-176.1	-173.7	98.7	0	0	0	113.8	N197 L223 I226 H227 F230 E247 Y248 E253	N197-W251 PolarHBondContact OD1-NE1 3.33Å; L223-W251 HydrophobicContact CD2-CH2 4Å; L223-W251 HydrophobicContact CD2-CZ2 4.11Å; I226-W251 HydrophobicContact CB-CH2 3.75Å; I226-W251 HydrophobicContact CB-CZ2 3.84Å; I226-W251 HydrophobicContact CD1-CZ2 4.01Å; I226-W251 HydrophobicContact CG2-CH2 3.55Å; I226-W251 HydrophobicContact CG2-CZ2 3.36Å; I226-W251 HydrophobicContact CG2-CZ3 4.21Å; H227-W251 AromaticContact CD2-CZ3 3.84Å; H227-W251 AromaticContact CE1-CZ3 3.64Å; H227-W251 AromaticContact CG-CZ3 3.82Å; H227-W251 AromaticContact ND1-CZ3 3.72Å; H227-W251 AromaticContact NE2-CZ3 3.72Å; F230-W251 HydrophobicContact CD2-CE3 4.39Å; F230-W251 AromaticContact CE2-CD2 3.9Å; F230-W251 HydrophobicContact CE2-CD2 3.9Å; F230-W251 HydrophobicContact CE2-CE3 4.01Å; F230-W251 HydrophobicContact CE2-CG 4.14Å; F230-W251 HydrophobicContact CZ-CG 4.42Å; E247-W251 WeakPolarHBondContact O-CB 3.4Å; E247-W251 PolarHBondContact O-N 2.74Å; Y248-W251 HydrophobicContact CD2-CE3 4.28Å; Y248-W251 HydrophobicContact CE2-CE3 4.26Å; Y248-W251 HydrophobicContact CE2-CZ3 4.44Å; Y248-W251 PolarHBondContact O-N 3.37Å; W251-E253 PolarHBondContact O-N 3.07Å
252	S	90.9	Very high	92.5	Very high	10 Å²	10	66.2 Å²	66.2	7%	0.07	35%	0.348	C	S	.	.			trans	-84.5	106.4	-174.1	-172.5	0	0	0	0	112.7	H227 Y248 N254 G255	H227-S252 PolarHBondContact CE1-OG 3.35Å; Y248-S252 WeakPolarHBondContact O-CB 3.38Å; Y248-S252 PolarHBondContact O-N 2.89Å; S252-N254 PolarHBondContact O-N 3.18Å; S252-N254 VanDerWaalsContact O-N 3.07Å; S252-G255 WeakPolarHBondContact CB-O 3.39Å; S252-G255 PolarHBondContact O-N 3.11Å; S252-G255 PolarHBondContact OG-O 3.45Å
253	E	86.3	Confident	92.6	Very high	142 Å²	142	66.4 Å²	66.4	66%	0.664	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.5	176.8	-62.6	-176.5	-168.7	0	0	114.1	W251 R880	W251-E253 PolarHBondContact O-N 3.07Å; E253-R880 IonicContact OE1-CZ 3.13Å; E253-R880 IonicContact OE1-NH1 2.69Å; E253-R880 PolarHBondContact OE1-NH1 3.21Å; E253-R880 IonicContact OE1-NH2 2.69Å; E253-R880 PolarHBondContact OE1-NH2 3.38Å
254	N	84.8	Confident	92.7	Very high	152 Å²	152	65.6 Å²	65.6	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.2	-179.1	-62.9	-64.8	0	0	0	113	S252	S252-N254 PolarHBondContact O-N 3.18Å; S252-N254 VanDerWaalsContact O-N 3.07Å
255	G	86.8	Confident	92.8	Very high	31 Å²	31	72 Å²	72	32%	0.32	37%	0.367	S	S	.	.			trans	72.1	-171.6	-172.3	0	0	0	0	0	113.7	S252	S252-G255 WeakPolarHBondContact CB-O 3.39Å; S252-G255 PolarHBondContact O-N 3.11Å; S252-G255 PolarHBondContact OG-O 3.45Å
256	V	90.8	Very high	92.8	Very high	23 Å²	23	76.9 Å²	76.9	14%	0.139	39%	0.389	C	S	.	.			trans	-96.4	125	179.7	-174.8	0	0	0	0	110	Y245 Y248 E249 V260 V261	Y245-V256 HydrophobicContact CE2-CB 4.42Å; Y245-V256 HydrophobicContact CE2-CG1 4Å; Y245-V256 HydrophobicContact CE2-CG2 4.31Å; Y248-V256 HydrophobicContact CD1-CB 4.4Å; Y248-V256 HydrophobicContact CD1-CG1 3.95Å; Y248-V256 HydrophobicContact CD1-CG2 3.75Å; Y248-V256 HydrophobicContact CE1-CG1 4Å; Y248-V256 HydrophobicContact CE1-CG2 4.31Å; Y248-V256 HydrophobicContact CG-CG2 4.43Å; E249-V256 HydrophobicContact CB-CG2 4.08Å; E249-V256 HydrophobicContact CG-CG2 4.39Å; V256-V260 HydrophobicContact CG1-CB 3.97Å; V256-V260 HydrophobicContact CG1-CG1 4.1Å; V256-V261 HydrophobicContact CB-CG2 4.16Å; V256-V261 HydrophobicContact CG1-CG2 3.74Å
257	P	93.1	Very high	92.8	Very high	55 Å²	55	74.6 Å²	74.6	36%	0.357	37%	0.37	S	S	.	.			trans	-65.3	138.1	178.5	-20.4	31.3	0	0	0	112.7	T259 V260 V261	P257-T259 PolarHBondContact O-N 3.07Å; P257-V260 HydrophobicContact CB-CG2 4.08Å; P257-V260 HydrophobicContact CG-CG2 4.16Å; P257-V260 WeakPolarHBondContact O-CA 3.47Å; P257-V260 VanDerWaalsContact O-CB 3.29Å; P257-V260 WeakPolarHBondContact O-CB 3.08Å; P257-V260 PolarHBondContact O-N 2.96Å; P257-V261 PolarHBondContact O-N 2.87Å; P257-V261 VanDerWaalsContact O-N 3.08Å
258	E	92.6	Very high	92.9	Very high	146 Å²	146	74 Å²	74	68%	0.682	37%	0.369	S	S	*	.	H	α-helix	trans	-52.2	-31.6	-179.4	-83	-76.9	-169.1	0	0	114.5	V260 V261 H262	E258-V260 VanDerWaalsContact C-N 3.3Å; E258-V260 PolarHBondContact O-N 3.27Å; E258-V261 PolarHBondContact O-N 2.82Å; E258-H262 WeakPolarHBondContact O-CB 3.43Å; E258-H262 PolarHBondContact O-N 3.22Å
259	T	93.9	Very high	92.9	Very high	104 Å²	104	80.2 Å²	80.2	64%	0.638	40%	0.398	S	S	*	.	H	α-helix	trans	-61.5	-38.3	173.5	48.7	0	0	0	0	112.4	P257 L263	P257-T259 PolarHBondContact O-N 3.07Å; T259-L263 WeakPolarHBondContact O-CG 3.34Å; T259-L263 PolarHBondContact O-N 2.9Å; T259-L263 VanDerWaalsContact O-N 3.17Å
260	V	94	Very high	92.9	Very high	6 Å²	6	76.3 Å²	76.3	4%	0.036	38%	0.379	C	S	.	.	H	α-helix	trans	-74.4	-42.4	176.8	-170.9	0	0	0	0	109.9	R231 L234 Y248 V256 P257 E258 H262 L263 Y264	R231-V260 HydrophobicContact CB-CG2 4.42Å; R231-V260 HydrophobicContact CG-CG1 4.2Å; R231-V260 HydrophobicContact CG-CG2 3.66Å; L234-V260 HydrophobicContact CB-CG1 4.45Å; L234-V260 HydrophobicContact CD1-CG1 4.21Å; Y248-V260 HydrophobicContact CE1-CG1 4.36Å; V256-V260 HydrophobicContact CG1-CB 3.97Å; V256-V260 HydrophobicContact CG1-CG1 4.1Å; P257-V260 HydrophobicContact CB-CG2 4.08Å; P257-V260 HydrophobicContact CG-CG2 4.16Å; P257-V260 WeakPolarHBondContact O-CA 3.47Å; P257-V260 VanDerWaalsContact O-CB 3.29Å; P257-V260 WeakPolarHBondContact O-CB 3.08Å; P257-V260 PolarHBondContact O-N 2.96Å; E258-V260 VanDerWaalsContact C-N 3.3Å; E258-V260 PolarHBondContact O-N 3.27Å; V260-H262 VanDerWaalsContact C-N 3.27Å; V260-H262 PolarHBondContact O-N 3.15Å; V260-L263 PolarHBondContact O-N 2.71Å; V260-Y264 VanDerWaalsContact O-CB 3.26Å; V260-Y264 WeakPolarHBondContact O-CB 3.49Å; V260-Y264 PolarHBondContact O-N 2.74Å
261	V	94.7	Very high	93	Very high	20 Å²	20	69.6 Å²	69.6	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-39	174.6	-171.2	0	0	0	0	110.9	Y245 V256 P257 E258 R265	Y245-V261 HydrophobicContact CE2-CG2 4.35Å; V256-V261 HydrophobicContact CB-CG2 4.16Å; V256-V261 HydrophobicContact CG1-CG2 3.74Å; P257-V261 PolarHBondContact O-N 2.87Å; P257-V261 VanDerWaalsContact O-N 3.08Å; E258-V261 PolarHBondContact O-N 2.82Å; V261-R265 VanDerWaalsContact CG1-NH2 3.29Å; V261-R265 VanDerWaalsContact O-CB 3.3Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 PolarHBondContact O-N 2.86Å
262	H	95.5	Very high	93.1	Very high	119 Å²	119	72.5 Å²	72.5	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-65.6	-47.1	175.3	-178.6	83.2	0	0	0	112.6	E258 V260 R265 K266	E258-H262 WeakPolarHBondContact O-CB 3.43Å; E258-H262 PolarHBondContact O-N 3.22Å; V260-H262 VanDerWaalsContact C-N 3.27Å; V260-H262 PolarHBondContact O-N 3.15Å; H262-R265 PolarHBondContact O-N 3.35Å; H262-K266 PolarHBondContact O-N 2.81Å
263	L	94.4	Very high	93.3	Very high	82 Å²	82	76.3 Å²	76.3	43%	0.429	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-45.7	176.7	-71.8	171	0	0	0	111.6	A235 T259 V260 R265 K266 A267	A235-L263 HydrophobicContact CB-CB 4.27Å; T259-L263 WeakPolarHBondContact O-CG 3.34Å; T259-L263 PolarHBondContact O-N 2.9Å; T259-L263 VanDerWaalsContact O-N 3.17Å; V260-L263 PolarHBondContact O-N 2.71Å; L263-R265 PolarHBondContact O-N 2.87Å; L263-K266 WeakPolarHBondContact O-CB 3.42Å; L263-K266 PolarHBondContact O-N 2.84Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L263-A267 PolarHBondContact O-N 3.42Å
264	Y	96.5	Very high	93.6	Very high	27 Å²	27	69.6 Å²	69.6	11%	0.106	35%	0.347	C	S	.	.	H	α-helix	trans	-56.7	-45.6	173.7	169.5	-110.8	0	0	0	112.6	L234 M241 E242 Y245 V260 K266 A267 L268	L234-Y264 HydrophobicContact CB-CD2 4.45Å; L234-Y264 HydrophobicContact CD2-CD2 3.87Å; L234-Y264 HydrophobicContact CD2-CE2 4.2Å; L234-Y264 VanDerWaalsContact O-CA 3.25Å; L234-Y264 WeakPolarHBondContact O-CA 3.41Å; M241-Y264 HydrophobicContact CE-CD2 3.49Å; M241-Y264 VanDerWaalsContact CE-CD2 3.49Å; M241-Y264 HydrophobicContact CE-CE2 3.8Å; M241-Y264 HydrophobicContact CG-CE2 4.26Å; E242-Y264 WeakPolarHBondContact CA-OH 3.36Å; Y245-Y264 VanDerWaalsContact CB-CZ 3.49Å; Y245-Y264 HydrophobicContact CD1-CE1 4.3Å; Y245-Y264 AromaticContact CD2-CD1 3.41Å; Y245-Y264 HydrophobicContact CD2-CD1 3.41Å; Y245-Y264 VanDerWaalsContact CD2-CD1 3.41Å; Y245-Y264 HydrophobicContact CD2-CD2 4.05Å; Y245-Y264 AromaticContact CD2-CE1 3.45Å; Y245-Y264 HydrophobicContact CD2-CE1 3.45Å; Y245-Y264 VanDerWaalsContact CD2-CE1 3.45Å; Y245-Y264 HydrophobicContact CD2-CE2 4.11Å; Y245-Y264 AromaticContact CD2-CG 3.72Å; Y245-Y264 HydrophobicContact CD2-CG 3.72Å; Y245-Y264 AromaticContact CD2-CZ 3.8Å; Y245-Y264 AromaticContact CE2-CD1 3.81Å; Y245-Y264 HydrophobicContact CE2-CD1 3.81Å; Y245-Y264 HydrophobicContact CE2-CE1 4.02Å; Y245-Y264 HydrophobicContact CE2-CG 4.37Å; Y245-Y264 HydrophobicContact CG-CD1 4.1Å; Y245-Y264 HydrophobicContact CG-CD2 4.49Å; Y245-Y264 AromaticContact CG-CE1 3.64Å; Y245-Y264 HydrophobicContact CG-CE1 3.64Å; Y245-Y264 HydrophobicContact CG-CE2 4.1Å; Y245-Y264 HydrophobicContact CG-CG 4.49Å; Y245-Y264 AromaticContact CG-CZ 3.63Å; V260-Y264 VanDerWaalsContact O-CB 3.26Å; V260-Y264 WeakPolarHBondContact O-CB 3.49Å; V260-Y264 PolarHBondContact O-N 2.74Å; Y264-K266 VanDerWaalsContact C-N 3.29Å; Y264-K266 PolarHBondContact O-N 2.86Å; Y264-A267 PolarHBondContact O-N 3.35Å; Y264-A267 VanDerWaalsContact O-N 3.17Å; Y264-L268 HydrophobicContact CD1-CD1 4.22Å; Y264-L268 HydrophobicContact CD2-CG 4.39Å; Y264-L268 HydrophobicContact CE1-CD1 3.64Å; Y264-L268 HydrophobicContact CE1-CG 4.41Å; Y264-L268 HydrophobicContact CE2-CD1 4.05Å; Y264-L268 HydrophobicContact CE2-CD2 4.18Å; Y264-L268 HydrophobicContact CE2-CG 3.97Å; Y264-L268 WeakPolarHBondContact O-CG 3.45Å; Y264-L268 PolarHBondContact O-N 2.91Å
265	R	96.4	Very high	94	Very high	133 Å²	133	65.1 Å²	65.1	50%	0.502	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-31	177.9	-153.9	-179.9	-59.1	151.2	3.4	112.5	V261 H262 L263 Q269	V261-R265 VanDerWaalsContact CG1-NH2 3.29Å; V261-R265 VanDerWaalsContact O-CB 3.3Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 PolarHBondContact O-N 2.86Å; H262-R265 PolarHBondContact O-N 3.35Å; L263-R265 PolarHBondContact O-N 2.87Å; R265-Q269 WeakPolarHBondContact O-CG 3.36Å; R265-Q269 PolarHBondContact O-N 3.41Å
266	K	95.3	Very high	94.4	Very high	139 Å²	139	67.1 Å²	67.1	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-72.3	-42.5	171	-176.8	-171.3	173.5	-167.5	0	111.7	H262 L263 Y264 Q269 Q270	H262-K266 PolarHBondContact O-N 2.81Å; L263-K266 WeakPolarHBondContact O-CB 3.42Å; L263-K266 PolarHBondContact O-N 2.84Å; L263-K266 VanDerWaalsContact O-N 3.15Å; Y264-K266 VanDerWaalsContact C-N 3.29Å; Y264-K266 PolarHBondContact O-N 2.86Å; K266-Q269 WeakPolarHBondContact O-CB 3.34Å; K266-Q269 PolarHBondContact O-N 2.94Å; K266-Q270 PolarHBondContact O-N 3.3Å; K266-Q270 VanDerWaalsContact O-N 3.12Å
267	A	95.4	Very high	94.6	Very high	6 Å²	6	69.2 Å²	69.2	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-42.1	178.4	0	0	0	0	0	111.9	M241 L263 Y264 Q269 Q270 K271	M241-A267 HydrophobicContact CE-CB 3.43Å; M241-A267 VanDerWaalsContact CE-CB 3.43Å; M241-A267 HydrophobicContact SD-CB 4.27Å; L263-A267 PolarHBondContact O-N 3.42Å; Y264-A267 PolarHBondContact O-N 3.35Å; Y264-A267 VanDerWaalsContact O-N 3.17Å; A267-Q269 VanDerWaalsContact C-N 3.33Å; A267-Q269 PolarHBondContact O-N 3.09Å; A267-Q270 PolarHBondContact O-N 3.09Å; A267-K271 PolarHBondContact O-N 2.69Å
268	L	95.7	Very high	94.7	Very high	41 Å²	41	67.2 Å²	67.2	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-42	170.6	-75.3	177.4	0	0	0	113.1	M241 E242 Y264 Q270 K271 E272	M241-L268 HydrophobicContact CE-CD2 4.43Å; M241-L268 HydrophobicContact CE-CG 4.39Å; M241-L268 HydrophobicContact CG-CD2 3.78Å; M241-L268 HydrophobicContact SD-CD2 3.84Å; M241-L268 HydrophobicContact SD-CG 4.32Å; E242-L268 HydrophobicContact CG-CD2 3.94Å; Y264-L268 HydrophobicContact CD1-CD1 4.22Å; Y264-L268 HydrophobicContact CD2-CG 4.39Å; Y264-L268 HydrophobicContact CE1-CD1 3.64Å; Y264-L268 HydrophobicContact CE1-CG 4.41Å; Y264-L268 HydrophobicContact CE2-CD1 4.05Å; Y264-L268 HydrophobicContact CE2-CD2 4.18Å; Y264-L268 HydrophobicContact CE2-CG 3.97Å; Y264-L268 WeakPolarHBondContact O-CG 3.45Å; Y264-L268 PolarHBondContact O-N 2.91Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 3.13Å; L268-K271 HydrophobicContact CD2-CD 4.29Å; L268-K271 WeakPolarHBondContact O-CB 3.4Å; L268-K271 PolarHBondContact O-N 3.41Å; L268-E272 PolarHBondContact O-N 2.96Å
269	Q	95.3	Very high	94.7	Very high	131 Å²	131	65 Å²	65	61%	0.612	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-32.4	176.3	-73.7	173.8	-0.4	0	0	112.3	R265 K266 A267 K273	R265-Q269 WeakPolarHBondContact O-CG 3.36Å; R265-Q269 PolarHBondContact O-N 3.41Å; K266-Q269 WeakPolarHBondContact O-CB 3.34Å; K266-Q269 PolarHBondContact O-N 2.94Å; A267-Q269 VanDerWaalsContact C-N 3.33Å; A267-Q269 PolarHBondContact O-N 3.09Å; Q269-K273 WeakPolarHBondContact O-CG 3.37Å; Q269-K273 PolarHBondContact O-N 3.44Å
270	Q	93.7	Very high	94.7	Very high	28 Å²	28	62 Å²	62	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-78	-38.9	176	-160	64	33.8	0	0	112.1	P237 K266 A267 L268 E272 K273 C274 E302	P237-Q270 HydrophobicContact CB-CB 4.35Å; P237-Q270 HydrophobicContact CG-CB 4.43Å; P237-Q270 HydrophobicContact CG-CG 4.47Å; K266-Q270 PolarHBondContact O-N 3.3Å; K266-Q270 VanDerWaalsContact O-N 3.12Å; A267-Q270 PolarHBondContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 3.13Å; Q270-E272 PolarHBondContact O-N 3.13Å; Q270-K273 WeakPolarHBondContact O-CB 3.37Å; Q270-K273 PolarHBondContact O-N 3Å; Q270-C274 PolarHBondContact O-N 3.06Å; Q270-C274 PolarHBondContact O-SG 3.31Å; Q270-E302 PolarHBondContact NE2-OE2 3.17Å; Q270-E302 PolarHBondContact OE1-OE2 3.35Å
271	K	94.5	Very high	94.7	Very high	18 Å²	18	62.1 Å²	62.1	8%	0.078	30%	0.297	C	S	.	.	H	α-helix	trans	-51.8	-52.7	170.2	175.6	-161.6	173.8	179.7	0	110.9	P237 L238 M239 M241 E242 A267 L268 K273 C274 K275	P237-K271 HydrophobicContact CB-CB 3.98Å; L238-K271 WeakPolarHBondContact O-CD 3.43Å; M239-K271 WeakPolarHBondContact O-CE 3.26Å; M239-K271 PolarHBondContact O-NZ 2.88Å; M241-K271 HydrophobicContact CG-CD 4.36Å; M241-K271 HydrophobicContact SD-CB 4.5Å; M241-K271 HydrophobicContact SD-CD 4.27Å; E242-K271 IonicContact OE1-NZ 3.71Å; E242-K271 PolarHBondContact OE1-NZ 3.37Å; E242-K271 IonicContact OE2-NZ 3.53Å; E242-K271 PolarHBondContact OE2-NZ 3.03Å; A267-K271 PolarHBondContact O-N 2.69Å; L268-K271 HydrophobicContact CD2-CD 4.29Å; L268-K271 WeakPolarHBondContact O-CB 3.4Å; L268-K271 PolarHBondContact O-N 3.41Å; K271-K273 VanDerWaalsContact C-N 3.28Å; K271-K273 PolarHBondContact O-N 3.43Å; K271-C274 PolarHBondContact O-N 3.29Å; K271-C274 VanDerWaalsContact O-N 3.1Å; K271-K275 WeakPolarHBondContact O-CB 3.45Å; K271-K275 PolarHBondContact O-N 3.29Å
272	E	94.8	Very high	94.5	Very high	109 Å²	109	68.2 Å²	68.2	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-24.3	-176.7	-165.5	66.2	-163.6	0	0	113	L268 Q270 K275	L268-E272 PolarHBondContact O-N 2.96Å; Q270-E272 PolarHBondContact O-N 3.13Å; E272-K275 IonicContact OE1-NZ 2.7Å; E272-K275 PolarHBondContact OE1-NZ 3.36Å; E272-K275 WeakPolarHBondContact OE2-CD 3.35Å; E272-K275 IonicContact OE2-NZ 2.67Å; E272-K275 PolarHBondContact OE2-NZ 3.36Å
273	K	94.4	Very high	94.4	Very high	91 Å²	91	68.6 Å²	68.6	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-46.5	167.2	-70.7	171.1	176.9	177.5	0	112.3	Q269 Q270 K271 K275 F298 E302	Q269-K273 WeakPolarHBondContact O-CG 3.37Å; Q269-K273 PolarHBondContact O-N 3.44Å; Q270-K273 WeakPolarHBondContact O-CB 3.37Å; Q270-K273 PolarHBondContact O-N 3Å; K271-K273 VanDerWaalsContact C-N 3.28Å; K271-K273 PolarHBondContact O-N 3.43Å; K273-K275 VanDerWaalsContact C-N 3.34Å; K273-F298 HydrophobicContact CB-CZ 4Å; K273-F298 HydrophobicContact CD-CZ 4.28Å; K273-E302 IonicContact NZ-OE1 3.63Å; K273-E302 IonicContact NZ-OE2 3.46Å; K273-E302 PolarHBondContact NZ-OE2 2.87Å
274	C	93.7	Very high	94.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-69.3	-32.3	-177.3	-73.4	0	0	0	0	112.6	M182 Q270 K271 S276 Y277 E278 Y295 R307	M182-C274 HydrophobicContact CE-CB 3.6Å; Q270-C274 PolarHBondContact O-N 3.06Å; Q270-C274 PolarHBondContact O-SG 3.31Å; K271-C274 PolarHBondContact O-N 3.29Å; K271-C274 VanDerWaalsContact O-N 3.1Å; C274-S276 VanDerWaalsContact C-N 3.31Å; C274-S276 PolarHBondContact O-N 3.04Å; C274-S276 VanDerWaalsContact O-N 3.14Å; C274-Y277 WeakPolarHBondContact O-CA 3.36Å; C274-Y277 WeakPolarHBondContact O-CB 3.19Å; C274-Y277 PolarHBondContact O-N 3.33Å; C274-E278 PolarHBondContact O-N 3.18Å; C274-E278 VanDerWaalsContact O-N 3.16Å; C274-Y295 HydrophobicContact CB-CE2 4.4Å; C274-Y295 WeakPolarHBondContact CB-OH 3.46Å; C274-R307 PolarHBondContact SG-NH2 2.84Å
275	K	92.9	Very high	94	Very high	59 Å²	59	72.7 Å²	72.7	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-47.6	-42	-173.3	176.9	-179.7	173.1	-172.1	0	115.2	K271 E272 K273 Y277 E278 E279	K271-K275 WeakPolarHBondContact O-CB 3.45Å; K271-K275 PolarHBondContact O-N 3.29Å; E272-K275 IonicContact OE1-NZ 2.7Å; E272-K275 PolarHBondContact OE1-NZ 3.36Å; E272-K275 WeakPolarHBondContact OE2-CD 3.35Å; E272-K275 IonicContact OE2-NZ 2.67Å; E272-K275 PolarHBondContact OE2-NZ 3.36Å; K273-K275 VanDerWaalsContact C-N 3.34Å; K275-Y277 VanDerWaalsContact C-N 3.27Å; K275-Y277 PolarHBondContact O-N 2.96Å; K275-E278 PolarHBondContact O-N 2.86Å; K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 HydrophobicContact CG-CG 4.3Å; K275-E279 VanDerWaalsContact CG-OE1 3.3Å; K275-E279 WeakPolarHBondContact CG-OE1 3.37Å; K275-E279 WeakPolarHBondContact O-CB 3.4Å; K275-E279 WeakPolarHBondContact O-CG 3.44Å; K275-E279 PolarHBondContact O-N 3.05Å
276	S	94.4	Very high	93.5	Very high	72 Å²	72	71.4 Å²	71.4	50%	0.503	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-26.8	178.6	51.9	0	0	0	0	113.6	C274 A280	C274-S276 VanDerWaalsContact C-N 3.31Å; C274-S276 PolarHBondContact O-N 3.04Å; C274-S276 VanDerWaalsContact O-N 3.14Å; S276-A280 WeakPolarHBondContact O-CB 3.32Å; S276-A280 PolarHBondContact O-N 2.9Å
277	Y	95.6	Very high	92.9	Very high	68 Å²	68	68.5 Å²	68.5	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-79	-37.8	173.3	-60.5	-92.3	0	0	0	111.5	C274 K275 A280 L281 Y295 F298	C274-Y277 WeakPolarHBondContact O-CA 3.36Å; C274-Y277 WeakPolarHBondContact O-CB 3.19Å; C274-Y277 PolarHBondContact O-N 3.33Å; K275-Y277 VanDerWaalsContact C-N 3.27Å; K275-Y277 PolarHBondContact O-N 2.96Å; Y277-A280 PolarHBondContact O-N 3.15Å; Y277-L281 WeakPolarHBondContact O-CG 3.4Å; Y277-L281 PolarHBondContact O-N 3.42Å; Y277-Y295 HydrophobicContact CD1-CD2 4.2Å; Y277-Y295 HydrophobicContact CD1-CG 4.11Å; Y277-Y295 HydrophobicContact CD2-CD2 4.36Å; Y277-Y295 AromaticContact CG-CD2 3.88Å; Y277-Y295 HydrophobicContact CG-CD2 3.88Å; Y277-Y295 HydrophobicContact CG-CE2 4.4Å; Y277-Y295 AromaticContact CG-CG 3.99Å; Y277-Y295 HydrophobicContact CG-CG 3.99Å; Y277-F298 HydrophobicContact CD2-CD1 4.43Å; Y277-F298 HydrophobicContact CE1-CB 4Å; Y277-F298 HydrophobicContact CE1-CG 4.49Å; Y277-F298 HydrophobicContact CE2-CB 4.21Å; Y277-F298 HydrophobicContact CE2-CD1 4.08Å; Y277-F298 AromaticContact CE2-CD2 3.99Å; Y277-F298 HydrophobicContact CE2-CD2 3.99Å; Y277-F298 HydrophobicContact CE2-CE1 4.49Å; Y277-F298 HydrophobicContact CE2-CE2 4.41Å; Y277-F298 AromaticContact CE2-CG 3.81Å; Y277-F298 HydrophobicContact CE2-CG 3.81Å; Y277-F298 AromaticContact CZ-CG 3.77Å
278	E	94.4	Very high	92.8	Very high	13 Å²	13	70 Å²	70	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-68.7	-40	175.5	-58.5	-74.3	179.6	0	0	111.9	M182 C274 K275 A280 L281 L282 Y295 R314	M182-E278 WeakPolarHBondContact CB-OE1 3.37Å; M182-E278 HydrophobicContact CG-CG 3.9Å; M182-E278 WeakPolarHBondContact CG-OE1 3.44Å; C274-E278 PolarHBondContact O-N 3.18Å; C274-E278 VanDerWaalsContact O-N 3.16Å; K275-E278 PolarHBondContact O-N 2.86Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 3.17Å; E278-L281 PolarHBondContact O-N 2.87Å; E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 PolarHBondContact O-N 2.9Å; E278-Y295 HydrophobicContact CG-CE1 4.19Å; E278-Y295 WeakPolarHBondContact OE1-CE1 3.43Å; E278-Y295 PolarHBondContact OE1-OH 3.24Å; E278-R314 IonicContact OE1-CZ 2.68Å; E278-R314 IonicContact OE1-NH1 2.72Å; E278-R314 PolarHBondContact OE1-NH1 2.95Å; E278-R314 IonicContact OE1-NH2 3.57Å; E278-R314 IonicContact OE2-CZ 2.64Å; E278-R314 IonicContact OE2-NH1 2.96Å; E278-R314 PolarHBondContact OE2-NH1 3.05Å; E278-R314 IonicContact OE2-NH2 3.85Å; E278-R314 PolarHBondContact OE2-NH2 2.86Å
279	E	93.2	Very high	92.6	Very high	100 Å²	100	70.4 Å²	70.4	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-36.4	172.2	-74.1	173.5	-175.4	0	0	111.4	K275 L282 V283	K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 HydrophobicContact CG-CG 4.3Å; K275-E279 VanDerWaalsContact CG-OE1 3.3Å; K275-E279 WeakPolarHBondContact CG-OE1 3.37Å; K275-E279 WeakPolarHBondContact O-CB 3.4Å; K275-E279 WeakPolarHBondContact O-CG 3.44Å; K275-E279 PolarHBondContact O-N 3.05Å; E279-L282 PolarHBondContact O-N 3.32Å; E279-V283 WeakPolarHBondContact O-CG2 3.43Å; E279-V283 PolarHBondContact O-N 3.39Å
280	A	94.7	Very high	92.6	Very high	40 Å²	40	67 Å²	67	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-45.9	172.3	0	0	0	0	0	112.2	S276 Y277 E278 L282 V283 A284 E291	S276-A280 WeakPolarHBondContact O-CB 3.32Å; S276-A280 PolarHBondContact O-N 2.9Å; Y277-A280 PolarHBondContact O-N 3.15Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 3.17Å; A280-L282 PolarHBondContact O-N 3.23Å; A280-V283 PolarHBondContact O-N 2.87Å; A280-V283 VanDerWaalsContact O-N 3.13Å; A280-A284 WeakPolarHBondContact O-CB 3.47Å; A280-A284 PolarHBondContact O-N 3.31Å; A280-E291 HydrophobicContact CB-CG 4.33Å
281	L	94.1	Very high	92.7	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-22	175.4	-76.5	176.4	0	0	0	114.2	Y277 E278 K288 E291 Y292 Y295	Y277-L281 WeakPolarHBondContact O-CG 3.4Å; Y277-L281 PolarHBondContact O-N 3.42Å; E278-L281 PolarHBondContact O-N 2.87Å; L281-K288 HydrophobicContact CD2-CB 4.1Å; L281-K288 HydrophobicContact CD2-CD 4.14Å; L281-K288 WeakPolarHBondContact O-CD 3.49Å; L281-K288 WeakPolarHBondContact O-CE 3.18Å; L281-K288 PolarHBondContact O-NZ 3.36Å; L281-K288 VanDerWaalsContact O-NZ 3.09Å; L281-E291 HydrophobicContact CD2-CB 3.67Å; L281-E291 HydrophobicContact CG-CB 4.29Å; L281-Y292 HydrophobicContact CD1-CD1 3.98Å; L281-Y292 HydrophobicContact CD1-CE1 3.54Å; L281-Y292 HydrophobicContact CD2-CD1 3.96Å; L281-Y292 HydrophobicContact CD2-CD2 3.65Å; L281-Y292 HydrophobicContact CD2-CE1 3.92Å; L281-Y292 HydrophobicContact CD2-CE2 3.61Å; L281-Y292 HydrophobicContact CD2-CG 3.81Å; L281-Y292 HydrophobicContact CG-CE1 4.42Å; L281-Y295 HydrophobicContact CD1-CD1 3.78Å; L281-Y295 HydrophobicContact CD1-CE1 4.15Å
282	L	90.8	Very high	92.8	Very high	149 Å²	149	68.3 Å²	68.3	78%	0.78	37%	0.372	S	S	*	.	H	α-helix	trans	-82.3	-27.9	174.6	-174.2	62.3	0	0	0	112.7	E278 E279 A280	E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 PolarHBondContact O-N 2.9Å; E279-L282 PolarHBondContact O-N 3.32Å; A280-L282 PolarHBondContact O-N 3.23Å
283	V	92.5	Very high	92.9	Very high	126 Å²	126	66.6 Å²	66.6	76%	0.764	36%	0.364	S	S	*	.	H	α-helix	trans	-94.7	-26.2	-178.2	173.7	0	0	0	0	112.7	E279 A280	E279-V283 WeakPolarHBondContact O-CG2 3.43Å; E279-V283 PolarHBondContact O-N 3.39Å; A280-V283 PolarHBondContact O-N 2.87Å; A280-V283 VanDerWaalsContact O-N 3.13Å
284	A	92.6	Very high	92.9	Very high	22 Å²	22	64.7 Å²	64.7	18%	0.182	37%	0.366	C	S	.	.	S	Bend	trans	-71.8	142	179.7	0	0	0	0	0	113.2	A280 K288 E291	A280-A284 WeakPolarHBondContact O-CB 3.47Å; A280-A284 PolarHBondContact O-N 3.31Å; A284-K288 HydrophobicContact CB-CB 4.26Å; A284-K288 HydrophobicContact CB-CD 4.38Å; A284-K288 HydrophobicContact CB-CG 3.92Å; A284-K288 VanDerWaalsContact O-CE 3.3Å; A284-K288 WeakPolarHBondContact O-CE 3.38Å; A284-E291 HydrophobicContact CB-CG 3.79Å
285	E	89.5	Confident	93.1	Very high	173 Å²	173	64.8 Å²	64.8	81%	0.808	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-77.7	146.3	173.1	-66.6	178.5	-177.8	0	0	110.8	K288	E285-K288 WeakPolarHBondContact O-CG 3.48Å; E285-K288 PolarHBondContact O-N 3.41Å; E285-K288 VanDerWaalsContact O-N 3.11Å
286	P	86.5	Confident	93.3	Very high	107 Å²	107	62.1 Å²	62.1	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	136.6	172.3	-26.8	35.9	0	0	0	112
287	P	82.1	Confident	93.4	Very high	78 Å²	78	62.7 Å²	62.7	51%	0.506	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.5	5.9	16.3	37.1	-37.7	0	0	0	116.3	L289 N319	P287-L289 PolarHBondContact O-N 3.2Å; P287-N319 PolarHBondContact O-ND2 2.74Å; P287-N319 PolarHBondContact O-OD1 2.92Å
288	K	92.5	Very high	93.5	Very high	37 Å²	37	61 Å²	61	16%	0.161	35%	0.346	C	S	.	.			trans	54.5	23.8	176.9	-44.1	179.9	-167.5	163.6	0	116.5	L281 A284 E285 A290 E291 Y292 E318	L281-K288 HydrophobicContact CD2-CB 4.1Å; L281-K288 HydrophobicContact CD2-CD 4.14Å; L281-K288 WeakPolarHBondContact O-CD 3.49Å; L281-K288 WeakPolarHBondContact O-CE 3.18Å; L281-K288 PolarHBondContact O-NZ 3.36Å; L281-K288 VanDerWaalsContact O-NZ 3.09Å; A284-K288 HydrophobicContact CB-CB 4.26Å; A284-K288 HydrophobicContact CB-CD 4.38Å; A284-K288 HydrophobicContact CB-CG 3.92Å; A284-K288 VanDerWaalsContact O-CE 3.3Å; A284-K288 WeakPolarHBondContact O-CE 3.38Å; E285-K288 WeakPolarHBondContact O-CG 3.48Å; E285-K288 PolarHBondContact O-N 3.41Å; E285-K288 VanDerWaalsContact O-N 3.11Å; K288-A290 VanDerWaalsContact C-N 3.31Å; K288-A290 PolarHBondContact O-N 3.47Å; K288-E291 VanDerWaalsContact C-OE2 3.26Å; K288-E291 WeakPolarHBondContact CA-OE2 3.48Å; K288-E291 PolarHBondContact O-N 2.82Å; K288-Y292 HydrophobicContact CB-CD2 4.17Å; K288-Y292 HydrophobicContact CB-CE2 4.37Å; K288-Y292 PolarHBondContact O-N 3.25Å; K288-Y292 VanDerWaalsContact O-N 3.09Å; K288-E318 WeakPolarHBondContact CD-OE2 3.3Å; K288-E318 VanDerWaalsContact CE-OE2 3.29Å; K288-E318 WeakPolarHBondContact CE-OE2 3.29Å; K288-E318 IonicContact NZ-OE1 3.49Å; K288-E318 IonicContact NZ-OE2 3.65Å; K288-E318 PolarHBondContact NZ-OE2 2.69Å
289	L	93.1	Very high	93.6	Very high	49 Å²	49	60.5 Å²	60.5	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-38.4	-170.3	-178.9	59.5	0	0	0	112.8	P287 Q293 N319 V322 M325	P287-L289 PolarHBondContact O-N 3.2Å; L289-Q293 HydrophobicContact CD1-CG 4.33Å; L289-Q293 WeakPolarHBondContact O-CB 3.47Å; L289-Q293 VanDerWaalsContact O-CG 3.23Å; L289-Q293 WeakPolarHBondContact O-CG 3.34Å; L289-Q293 PolarHBondContact O-N 3.12Å; L289-N319 WeakPolarHBondContact CB-OD1 3.43Å; L289-N319 HydrophobicContact CD1-CB 4.3Å; L289-V322 HydrophobicContact CD1-CG1 4.47Å; L289-V322 HydrophobicContact CD2-CG1 4.32Å; L289-V322 HydrophobicContact CD2-CG2 4.36Å; L289-M325 HydrophobicContact CD1-CG 3.81Å; L289-M325 HydrophobicContact CD1-SD 3.9Å
290	A	94.2	Very high	93.7	Very high	60 Å²	60	58.5 Å²	58.5	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-69.9	-39.7	-177.9	0	0	0	0	0	112	K288 Q293 A294	K288-A290 VanDerWaalsContact C-N 3.31Å; K288-A290 PolarHBondContact O-N 3.47Å; A290-Q293 PolarHBondContact O-N 3.37Å; A290-A294 WeakPolarHBondContact O-CB 3.36Å; A290-A294 PolarHBondContact O-N 3.07Å
291	E	96.3	Very high	93.8	Very high	67 Å²	67	65.1 Å²	65.1	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-45	177.8	-66.1	67.9	-149.1	0	0	110.6	A280 L281 A284 K288 A294 Y295	A280-E291 HydrophobicContact CB-CG 4.33Å; L281-E291 HydrophobicContact CD2-CB 3.67Å; L281-E291 HydrophobicContact CG-CB 4.29Å; A284-E291 HydrophobicContact CB-CG 3.79Å; K288-E291 VanDerWaalsContact C-OE2 3.26Å; K288-E291 WeakPolarHBondContact CA-OE2 3.48Å; K288-E291 PolarHBondContact O-N 2.82Å; E291-A294 PolarHBondContact O-N 2.95Å; E291-Y295 WeakPolarHBondContact O-CB 3.28Å; E291-Y295 PolarHBondContact O-N 3.03Å
292	Y	96.3	Very high	93.8	Very high	7 Å²	7	68.5 Å²	68.5	3%	0.027	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-42	173.6	-88	-59	0	0	0	112.3	L281 K288 Y295 I296 R314 A315 E318	L281-Y292 HydrophobicContact CD1-CD1 3.98Å; L281-Y292 HydrophobicContact CD1-CE1 3.54Å; L281-Y292 HydrophobicContact CD2-CD1 3.96Å; L281-Y292 HydrophobicContact CD2-CD2 3.65Å; L281-Y292 HydrophobicContact CD2-CE1 3.92Å; L281-Y292 HydrophobicContact CD2-CE2 3.61Å; L281-Y292 HydrophobicContact CD2-CG 3.81Å; L281-Y292 HydrophobicContact CG-CE1 4.42Å; K288-Y292 HydrophobicContact CB-CD2 4.17Å; K288-Y292 HydrophobicContact CB-CE2 4.37Å; K288-Y292 PolarHBondContact O-N 3.25Å; K288-Y292 VanDerWaalsContact O-N 3.09Å; Y292-Y295 PolarHBondContact O-N 3.17Å; Y292-I296 WeakPolarHBondContact O-CB 3.5Å; Y292-I296 VanDerWaalsContact O-CG1 3.26Å; Y292-I296 WeakPolarHBondContact O-CG1 3.48Å; Y292-I296 PolarHBondContact O-N 3.16Å; Y292-R314 HydrophobicContact CE1-CB 4.02Å; Y292-A315 HydrophobicContact CD1-CB 3.58Å; Y292-A315 HydrophobicContact CD2-CB 4.26Å; Y292-A315 HydrophobicContact CE1-CB 4.24Å; Y292-A315 HydrophobicContact CG-CB 3.61Å; Y292-E318 HydrophobicContact CE2-CB 4.17Å; Y292-E318 HydrophobicContact CE2-CG 4.35Å; Y292-E318 VanDerWaalsContact CE2-OE1 3.3Å; Y292-E318 WeakPolarHBondContact CE2-OE1 3.4Å; Y292-E318 PolarHBondContact OH-OE1 3.33Å
293	Q	96.1	Very high	93.9	Very high	73 Å²	73	63.6 Å²	63.6	34%	0.341	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-46.6	175.3	-77.2	174.5	4.5	0	0	111.8	L289 A290 Y295 I296 D297 M325	L289-Q293 HydrophobicContact CD1-CG 4.33Å; L289-Q293 WeakPolarHBondContact O-CB 3.47Å; L289-Q293 VanDerWaalsContact O-CG 3.23Å; L289-Q293 WeakPolarHBondContact O-CG 3.34Å; L289-Q293 PolarHBondContact O-N 3.12Å; A290-Q293 PolarHBondContact O-N 3.37Å; Q293-Y295 VanDerWaalsContact C-N 3.31Å; Q293-Y295 PolarHBondContact O-N 2.92Å; Q293-I296 PolarHBondContact O-N 3.37Å; Q293-D297 PolarHBondContact O-N 3.48Å; Q293-M325 HydrophobicContact CG-CE 4.44Å; Q293-M325 HydrophobicContact CG-SD 3.82Å
294	A	96.4	Very high	94	Very high	51 Å²	51	60.8 Å²	60.8	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-35.1	178.7	0	0	0	0	0	113	A290 E291 F298	A290-A294 WeakPolarHBondContact O-CB 3.36Å; A290-A294 PolarHBondContact O-N 3.07Å; E291-A294 PolarHBondContact O-N 2.95Å; A294-F298 PolarHBondContact O-N 3.46Å
295	Y	97.1	Very high	94.1	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-74	-40.5	175.7	-164.2	179.6	0	0	0	111.8	C274 Y277 E278 L281 E291 Y292 Q293 D297 F298 E299 T311	C274-Y295 HydrophobicContact CB-CE2 4.4Å; C274-Y295 WeakPolarHBondContact CB-OH 3.46Å; Y277-Y295 HydrophobicContact CD1-CD2 4.2Å; Y277-Y295 HydrophobicContact CD1-CG 4.11Å; Y277-Y295 HydrophobicContact CD2-CD2 4.36Å; Y277-Y295 AromaticContact CG-CD2 3.88Å; Y277-Y295 HydrophobicContact CG-CD2 3.88Å; Y277-Y295 HydrophobicContact CG-CE2 4.4Å; Y277-Y295 AromaticContact CG-CG 3.99Å; Y277-Y295 HydrophobicContact CG-CG 3.99Å; E278-Y295 HydrophobicContact CG-CE1 4.19Å; E278-Y295 WeakPolarHBondContact OE1-CE1 3.43Å; E278-Y295 PolarHBondContact OE1-OH 3.24Å; L281-Y295 HydrophobicContact CD1-CD1 3.78Å; L281-Y295 HydrophobicContact CD1-CE1 4.15Å; E291-Y295 WeakPolarHBondContact O-CB 3.28Å; E291-Y295 PolarHBondContact O-N 3.03Å; Y292-Y295 PolarHBondContact O-N 3.17Å; Q293-Y295 VanDerWaalsContact C-N 3.31Å; Q293-Y295 PolarHBondContact O-N 2.92Å; Y295-D297 VanDerWaalsContact C-N 3.33Å; Y295-D297 PolarHBondContact O-N 2.93Å; Y295-F298 HydrophobicContact CD2-CD1 4Å; Y295-F298 HydrophobicContact CE2-CD1 4.13Å; Y295-F298 HydrophobicContact CE2-CE1 4.49Å; Y295-F298 WeakPolarHBondContact O-CB 3.31Å; Y295-F298 PolarHBondContact O-N 3.05Å; Y295-F298 VanDerWaalsContact O-N 3.15Å; Y295-E299 HydrophobicContact CD2-CG 3.99Å; Y295-E299 HydrophobicContact CE2-CG 3.95Å; Y295-E299 WeakPolarHBondContact CE2-OE1 3.48Å; Y295-E299 PolarHBondContact O-N 3.03Å; Y295-T311 HydrophobicContact CD1-CG2 4.07Å; Y295-T311 HydrophobicContact CD2-CG2 4.34Å; Y295-T311 HydrophobicContact CE1-CG2 4.45Å; Y295-T311 HydrophobicContact CG-CG2 4Å
296	I	97.1	Very high	94.3	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-42	174.1	-75.4	166.6	0	0	0	111.2	Y292 Q293 F298 E299 L300 T311 F312 A315 M325	Y292-I296 WeakPolarHBondContact O-CB 3.5Å; Y292-I296 VanDerWaalsContact O-CG1 3.26Å; Y292-I296 WeakPolarHBondContact O-CG1 3.48Å; Y292-I296 PolarHBondContact O-N 3.16Å; Q293-I296 PolarHBondContact O-N 3.37Å; I296-F298 VanDerWaalsContact C-N 3.3Å; I296-F298 PolarHBondContact O-N 3.05Å; I296-E299 PolarHBondContact O-N 3.45Å; I296-L300 HydrophobicContact CG2-CD1 3.7Å; I296-L300 HydrophobicContact CG2-CG 4.28Å; I296-L300 VanDerWaalsContact O-CB 3.31Å; I296-L300 WeakPolarHBondContact O-CB 3.24Å; I296-L300 VanDerWaalsContact O-CG 3.27Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 3.12Å; I296-T311 HydrophobicContact CG1-CG2 3.83Å; I296-F312 HydrophobicContact CD1-CD1 3.73Å; I296-F312 HydrophobicContact CD1-CE1 4Å; I296-F312 HydrophobicContact CD1-CG 4.27Å; I296-F312 HydrophobicContact CG1-CD1 4.42Å; I296-F312 HydrophobicContact CG2-CD1 4.36Å; I296-F312 HydrophobicContact CG2-CD2 4.48Å; I296-F312 HydrophobicContact CG2-CE1 3.75Å; I296-F312 HydrophobicContact CG2-CE2 3.89Å; I296-F312 HydrophobicContact CG2-CZ 3.48Å; I296-F312 VanDerWaalsContact CG2-CZ 3.48Å; I296-A315 HydrophobicContact CD1-CB 3.72Å; I296-M325 HydrophobicContact CD1-CE 3.43Å; I296-M325 VanDerWaalsContact CD1-CE 3.43Å
297	D	96.8	Very high	94.7	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-70.6	-25.4	177.2	-71.9	-30.7	0	0	0	113.2	Q293 Y295 K301 K328	Q293-D297 PolarHBondContact O-N 3.48Å; Y295-D297 VanDerWaalsContact C-N 3.33Å; Y295-D297 PolarHBondContact O-N 2.93Å; D297-K301 WeakPolarHBondContact O-CB 3.28Å; D297-K301 PolarHBondContact O-N 2.72Å; D297-K328 VanDerWaalsContact CG-NZ 3.32Å; D297-K328 WeakPolarHBondContact OD1-CE 3.46Å; D297-K328 IonicContact OD1-NZ 3.76Å; D297-K328 PolarHBondContact OD1-NZ 3.34Å; D297-K328 IonicContact OD2-NZ 3.27Å; D297-K328 PolarHBondContact OD2-NZ 3.05Å
298	F	96.9	Very high	95.3	Very high	32 Å²	32	49.1 Å²	49.1	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-69.7	-48.1	167.3	166.9	-98.2	0	0	0	111.9	K273 Y277 A294 Y295 I296 K301 E302	K273-F298 HydrophobicContact CB-CZ 4Å; K273-F298 HydrophobicContact CD-CZ 4.28Å; Y277-F298 HydrophobicContact CD2-CD1 4.43Å; Y277-F298 HydrophobicContact CE1-CB 4Å; Y277-F298 HydrophobicContact CE1-CG 4.49Å; Y277-F298 HydrophobicContact CE2-CB 4.21Å; Y277-F298 HydrophobicContact CE2-CD1 4.08Å; Y277-F298 AromaticContact CE2-CD2 3.99Å; Y277-F298 HydrophobicContact CE2-CD2 3.99Å; Y277-F298 HydrophobicContact CE2-CE1 4.49Å; Y277-F298 HydrophobicContact CE2-CE2 4.41Å; Y277-F298 AromaticContact CE2-CG 3.81Å; Y277-F298 HydrophobicContact CE2-CG 3.81Å; Y277-F298 AromaticContact CZ-CG 3.77Å; A294-F298 PolarHBondContact O-N 3.46Å; Y295-F298 HydrophobicContact CD2-CD1 4Å; Y295-F298 HydrophobicContact CE2-CD1 4.13Å; Y295-F298 HydrophobicContact CE2-CE1 4.49Å; Y295-F298 WeakPolarHBondContact O-CB 3.31Å; Y295-F298 PolarHBondContact O-N 3.05Å; Y295-F298 VanDerWaalsContact O-N 3.15Å; I296-F298 VanDerWaalsContact C-N 3.3Å; I296-F298 PolarHBondContact O-N 3.05Å; F298-K301 WeakPolarHBondContact O-CB 3.38Å; F298-K301 PolarHBondContact O-N 3.13Å; F298-K301 VanDerWaalsContact O-N 3.15Å; F298-E302 HydrophobicContact CD2-CG 4.33Å; F298-E302 HydrophobicContact CE1-CG 4.11Å; F298-E302 HydrophobicContact CE2-CG 3.82Å; F298-E302 HydrophobicContact CZ-CG 3.69Å; F298-E302 PolarHBondContact O-N 3.35Å
299	E	96.4	Very high	95.5	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-38.8	-179.2	-66.5	-66.7	-167.5	0	0	112.6	Y295 I296 K301 E302 G303 R307 V308 T311	Y295-E299 HydrophobicContact CD2-CG 3.99Å; Y295-E299 HydrophobicContact CE2-CG 3.95Å; Y295-E299 WeakPolarHBondContact CE2-OE1 3.48Å; Y295-E299 PolarHBondContact O-N 3.03Å; I296-E299 PolarHBondContact O-N 3.45Å; E299-K301 PolarHBondContact O-N 3.37Å; E299-E302 PolarHBondContact O-N 3.22Å; E299-G303 PolarHBondContact O-N 2.87Å; E299-R307 IonicContact OE1-CZ 2.72Å; E299-R307 VanDerWaalsContact OE1-CZ 3.31Å; E299-R307 IonicContact OE1-NE 3.51Å; E299-R307 PolarHBondContact OE1-NE 3.15Å; E299-R307 IonicContact OE1-NH2 2.71Å; E299-R307 PolarHBondContact OE1-NH2 3.41Å; E299-R307 IonicContact OE2-CZ 2.74Å; E299-R307 IonicContact OE2-NE 2.7Å; E299-R307 IonicContact OE2-NH1 3.6Å; E299-R307 PolarHBondContact OE2-NH1 3.41Å; E299-R307 IonicContact OE2-NH2 2.86Å; E299-R307 PolarHBondContact OE2-NH2 2.85Å; E299-V308 HydrophobicContact CB-CG2 4.04Å; E299-V308 WeakPolarHBondContact O-CG2 3.17Å; E299-T311 HydrophobicContact CG-CG2 4.38Å
300	L	96.1	Very high	95.6	Very high	58 Å²	58	48 Å²	48	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-28.9	172.7	-77.3	169.2	0	0	0	112.6	I296 V308 F312 Y332	I296-L300 HydrophobicContact CG2-CD1 3.7Å; I296-L300 HydrophobicContact CG2-CG 4.28Å; I296-L300 VanDerWaalsContact O-CB 3.31Å; I296-L300 WeakPolarHBondContact O-CB 3.24Å; I296-L300 VanDerWaalsContact O-CG 3.27Å; I296-L300 WeakPolarHBondContact O-CG 3.37Å; I296-L300 PolarHBondContact O-N 3.12Å; L300-V308 HydrophobicContact CD2-CG1 3.74Å; L300-V308 HydrophobicContact CD2-CG2 4.23Å; L300-V308 HydrophobicContact CG-CG1 4.32Å; L300-V308 HydrophobicContact CG-CG2 4.5Å; L300-F312 HydrophobicContact CD1-CE2 4.42Å; L300-F312 HydrophobicContact CD1-CZ 4.31Å; L300-F312 HydrophobicContact CD2-CE2 4.31Å; L300-F312 HydrophobicContact CG-CE2 4.49Å; L300-Y332 HydrophobicContact CD2-CD2 3.52Å; L300-Y332 HydrophobicContact CD2-CE2 3.71Å; L300-Y332 HydrophobicContact CD2-CG 4.22Å
301	K	96	Very high	95.7	Very high	179 Å²	179	45.2 Å²	45.2	78%	0.778	25%	0.247	S	C	*	.	H	α-helix	trans	-82.9	-35	177.4	-178.9	-173.9	174.6	-171.7	0	112.9	D297 F298 E299 G303	D297-K301 WeakPolarHBondContact O-CB 3.28Å; D297-K301 PolarHBondContact O-N 2.72Å; F298-K301 WeakPolarHBondContact O-CB 3.38Å; F298-K301 PolarHBondContact O-N 3.13Å; F298-K301 VanDerWaalsContact O-N 3.15Å; E299-K301 PolarHBondContact O-N 3.37Å; K301-G303 VanDerWaalsContact C-N 3.31Å
302	E	94.4	Very high	95.7	Very high	79 Å²	79	42 Å²	42	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-72.4	-27.8	172.4	-66.6	-88.8	101.2	0	0	111.4	Q270 K273 F298 E299	Q270-E302 PolarHBondContact NE2-OE2 3.17Å; Q270-E302 PolarHBondContact OE1-OE2 3.35Å; K273-E302 IonicContact NZ-OE1 3.63Å; K273-E302 IonicContact NZ-OE2 3.46Å; K273-E302 PolarHBondContact NZ-OE2 2.87Å; F298-E302 HydrophobicContact CD2-CG 4.33Å; F298-E302 HydrophobicContact CE1-CG 4.11Å; F298-E302 HydrophobicContact CE2-CG 3.82Å; F298-E302 HydrophobicContact CZ-CG 3.69Å; F298-E302 PolarHBondContact O-N 3.35Å; E299-E302 PolarHBondContact O-N 3.22Å
303	G	93.4	Very high	95.7	Very high	46 Å²	46	42.9 Å²	42.9	47%	0.474	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	10.7	162.7	0	0	0	0	0	116.3	E299 K301 P305	E299-G303 PolarHBondContact O-N 2.87Å; K301-G303 VanDerWaalsContact C-N 3.31Å; G303-P305 WeakPolarHBondContact O-CD 3.29Å
304	D	94.2	Very high	95.6	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	22%	0.223	S	C	.	.			trans	-78.3	116	176.6	-177.9	-68.7	0	0	0	110.8	A306 R307 V308	D304-A306 VanDerWaalsContact C-N 3.31Å; D304-A306 PolarHBondContact O-N 3.02Å; D304-A306 PolarHBondContact OD1-N 2.82Å; D304-R307 HydrophobicContact CB-CB 4.09Å; D304-R307 HydrophobicContact CB-CG 4.45Å; D304-R307 PolarHBondContact O-N 2.93Å; D304-R307 PolarHBondContact OD1-N 2.85Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.01Å
305	P	95.1	Very high	95.6	Very high	63 Å²	63	37.7 Å²	37.7	41%	0.409	20%	0.203	S	C	.	.	H	α-helix	trans	-65.9	-29.3	-171.5	-24.3	35.6	0	0	0	114.8	G303 Q309 Y332 L337	G303-P305 WeakPolarHBondContact O-CD 3.29Å; P305-Q309 WeakPolarHBondContact O-CG 3.21Å; P305-Q309 PolarHBondContact O-N 2.83Å; P305-Q309 VanDerWaalsContact O-N 3.12Å; P305-Q309 PolarHBondContact O-NE2 2.89Å; P305-Y332 WeakPolarHBondContact CA-OH 3.32Å; P305-L337 HydrophobicContact CB-CD1 4.35Å
306	A	93.2	Very high	95.4	Very high	42 Å²	42	37.6 Å²	37.6	35%	0.347	20%	0.203	S	C	.	.	H	α-helix	trans	-78.7	-37.2	-179	0	0	0	0	0	110.9	L180 D304 Q309 I310	L180-A306 HydrophobicContact CD1-CB 3.51Å; D304-A306 VanDerWaalsContact C-N 3.31Å; D304-A306 PolarHBondContact O-N 3.02Å; D304-A306 PolarHBondContact OD1-N 2.82Å; A306-Q309 PolarHBondContact O-N 3.28Å; A306-I310 PolarHBondContact O-N 2.82Å
307	R	94.2	Very high	95.1	Very high	28 Å²	28	39.7 Å²	39.7	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-29.2	173.3	-69.4	175.1	56.8	-123.6	-4.4	113.4	C274 E299 D304 I310 T311	C274-R307 PolarHBondContact SG-NH2 2.84Å; E299-R307 IonicContact OE1-CZ 2.72Å; E299-R307 VanDerWaalsContact OE1-CZ 3.31Å; E299-R307 IonicContact OE1-NE 3.51Å; E299-R307 PolarHBondContact OE1-NE 3.15Å; E299-R307 IonicContact OE1-NH2 2.71Å; E299-R307 PolarHBondContact OE1-NH2 3.41Å; E299-R307 IonicContact OE2-CZ 2.74Å; E299-R307 IonicContact OE2-NE 2.7Å; E299-R307 IonicContact OE2-NH1 3.6Å; E299-R307 PolarHBondContact OE2-NH1 3.41Å; E299-R307 IonicContact OE2-NH2 2.86Å; E299-R307 PolarHBondContact OE2-NH2 2.85Å; D304-R307 HydrophobicContact CB-CB 4.09Å; D304-R307 HydrophobicContact CB-CG 4.45Å; D304-R307 PolarHBondContact O-N 2.93Å; D304-R307 PolarHBondContact OD1-N 2.85Å; R307-I310 WeakPolarHBondContact O-CG2 3.18Å; R307-T311 WeakPolarHBondContact O-CB 3.45Å; R307-T311 PolarHBondContact O-N 3.26Å; R307-T311 PolarHBondContact O-OG1 3.42Å
308	V	96.3	Very high	94.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-48.1	168.7	172.1	0	0	0	0	110.8	E299 L300 D304 T311 F312 Y332	E299-V308 HydrophobicContact CB-CG2 4.04Å; E299-V308 WeakPolarHBondContact O-CG2 3.17Å; L300-V308 HydrophobicContact CD2-CG1 3.74Å; L300-V308 HydrophobicContact CD2-CG2 4.23Å; L300-V308 HydrophobicContact CG-CG1 4.32Å; L300-V308 HydrophobicContact CG-CG2 4.5Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.01Å; V308-T311 PolarHBondContact O-N 3.36Å; V308-F312 HydrophobicContact CG1-CD2 3.61Å; V308-F312 HydrophobicContact CG1-CE2 3.63Å; V308-F312 WeakPolarHBondContact O-CD2 2.99Å; V308-F312 PolarHBondContact O-N 2.88Å; V308-Y332 HydrophobicContact CB-CE1 4.13Å; V308-Y332 HydrophobicContact CG1-CD1 3.88Å; V308-Y332 HydrophobicContact CG1-CD2 4.37Å; V308-Y332 HydrophobicContact CG1-CE1 3.44Å; V308-Y332 VanDerWaalsContact CG1-CE1 3.44Å; V308-Y332 HydrophobicContact CG1-CE2 3.98Å; V308-Y332 HydrophobicContact CG1-CG 4.33Å
309	Q	95.8	Very high	94.5	Very high	48 Å²	48	38.2 Å²	38.2	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-54.6	177.5	-79	166	95.3	0	0	112.3	P305 A306 T311 F312 E313 Y329 L333 L337	P305-Q309 WeakPolarHBondContact O-CG 3.21Å; P305-Q309 PolarHBondContact O-N 2.83Å; P305-Q309 VanDerWaalsContact O-N 3.12Å; P305-Q309 PolarHBondContact O-NE2 2.89Å; A306-Q309 PolarHBondContact O-N 3.28Å; Q309-T311 PolarHBondContact O-N 2.87Å; Q309-F312 PolarHBondContact O-N 3.32Å; Q309-F312 VanDerWaalsContact O-N 3.13Å; Q309-E313 WeakPolarHBondContact O-CG 3.44Å; Q309-E313 PolarHBondContact O-N 2.83Å; Q309-Y329 HydrophobicContact CG-CE2 4.31Å; Q309-L333 HydrophobicContact CG-CD2 4.43Å; Q309-L337 HydrophobicContact CG-CD2 4.46Å
310	I	95.5	Very high	94.1	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-34.6	-176.8	-164	74.8	0	0	0	112.3	I142 A177 L180 H181 A306 R307 R314	I142-I310 HydrophobicContact CD1-CD1 3.37Å; I142-I310 HydrophobicContact CD1-CG1 4.33Å; A177-I310 WeakPolarHBondContact O-CD1 3.44Å; L180-I310 HydrophobicContact CB-CB 4.4Å; L180-I310 HydrophobicContact CB-CG1 4.22Å; L180-I310 HydrophobicContact CB-CG2 4.29Å; H181-I310 HydrophobicContact CB-CD1 4.41Å; H181-I310 HydrophobicContact CB-CG1 4.45Å; A306-I310 PolarHBondContact O-N 2.82Å; R307-I310 WeakPolarHBondContact O-CG2 3.18Å; I310-R314 WeakPolarHBondContact O-CB 3.04Å; I310-R314 WeakPolarHBondContact O-CG 3.3Å; I310-R314 PolarHBondContact O-N 3.13Å
311	T	96	Very high	93.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-78.8	-32.8	179.9	-57.9	0	0	0	0	112.1	Y295 I296 E299 R307 V308 Q309 A315	Y295-T311 HydrophobicContact CD1-CG2 4.07Å; Y295-T311 HydrophobicContact CD2-CG2 4.34Å; Y295-T311 HydrophobicContact CE1-CG2 4.45Å; Y295-T311 HydrophobicContact CG-CG2 4Å; I296-T311 HydrophobicContact CG1-CG2 3.83Å; E299-T311 HydrophobicContact CG-CG2 4.38Å; R307-T311 WeakPolarHBondContact O-CB 3.45Å; R307-T311 PolarHBondContact O-N 3.26Å; R307-T311 PolarHBondContact O-OG1 3.42Å; V308-T311 PolarHBondContact O-N 3.36Å; Q309-T311 PolarHBondContact O-N 2.87Å; T311-A315 WeakPolarHBondContact O-CB 3.37Å; T311-A315 PolarHBondContact O-N 3.29Å; T311-A315 VanDerWaalsContact O-N 3.1Å
312	F	96.9	Very high	93.6	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-48.5	167.2	-90.7	-67.4	0	0	0	112	I296 L300 V308 Q309 R314 A315 L316 M325 K328 Y329	I296-F312 HydrophobicContact CD1-CD1 3.73Å; I296-F312 HydrophobicContact CD1-CE1 4Å; I296-F312 HydrophobicContact CD1-CG 4.27Å; I296-F312 HydrophobicContact CG1-CD1 4.42Å; I296-F312 HydrophobicContact CG2-CD1 4.36Å; I296-F312 HydrophobicContact CG2-CD2 4.48Å; I296-F312 HydrophobicContact CG2-CE1 3.75Å; I296-F312 HydrophobicContact CG2-CE2 3.89Å; I296-F312 HydrophobicContact CG2-CZ 3.48Å; I296-F312 VanDerWaalsContact CG2-CZ 3.48Å; L300-F312 HydrophobicContact CD1-CE2 4.42Å; L300-F312 HydrophobicContact CD1-CZ 4.31Å; L300-F312 HydrophobicContact CD2-CE2 4.31Å; L300-F312 HydrophobicContact CG-CE2 4.49Å; V308-F312 HydrophobicContact CG1-CD2 3.61Å; V308-F312 HydrophobicContact CG1-CE2 3.63Å; V308-F312 WeakPolarHBondContact O-CD2 2.99Å; V308-F312 PolarHBondContact O-N 2.88Å; Q309-F312 PolarHBondContact O-N 3.32Å; Q309-F312 VanDerWaalsContact O-N 3.13Å; F312-R314 VanDerWaalsContact C-N 3.34Å; F312-R314 PolarHBondContact O-N 3.33Å; F312-A315 PolarHBondContact O-N 3.21Å; F312-L316 WeakPolarHBondContact O-CB 3.23Å; F312-L316 VanDerWaalsContact O-CG 3.29Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3.27Å; F312-M325 HydrophobicContact CD1-CE 4.48Å; F312-M325 HydrophobicContact CE1-CE 4.41Å; F312-K328 HydrophobicContact CE1-CB 4.21Å; F312-K328 HydrophobicContact CE1-CD 4.27Å; F312-K328 HydrophobicContact CE1-CG 4.15Å; F312-K328 HydrophobicContact CZ-CB 4.43Å; F312-K328 HydrophobicContact CZ-CD 4.27Å; F312-K328 HydrophobicContact CZ-CG 3.98Å; F312-Y329 HydrophobicContact CB-CD1 4.25Å; F312-Y329 HydrophobicContact CB-CD2 3.56Å; F312-Y329 HydrophobicContact CB-CE1 4.37Å; F312-Y329 HydrophobicContact CB-CE2 3.72Å; F312-Y329 HydrophobicContact CB-CG 3.84Å; F312-Y329 HydrophobicContact CD1-CD2 4.05Å; F312-Y329 AromaticContact CD1-CG 3.94Å; F312-Y329 HydrophobicContact CD1-CG 3.94Å; F312-Y329 AromaticContact CD2-CD2 3.49Å; F312-Y329 HydrophobicContact CD2-CD2 3.49Å; F312-Y329 VanDerWaalsContact CD2-CD2 3.49Å; F312-Y329 HydrophobicContact CD2-CE2 4.06Å; F312-Y329 HydrophobicContact CD2-CG 4.23Å; F312-Y329 HydrophobicContact CE2-CD2 4.12Å; F312-Y329 AromaticContact CG-CD2 3.45Å; F312-Y329 HydrophobicContact CG-CD2 3.45Å; F312-Y329 VanDerWaalsContact CG-CD2 3.45Å; F312-Y329 HydrophobicContact CG-CE2 4.07Å; F312-Y329 AromaticContact CG-CG 3.77Å; F312-Y329 HydrophobicContact CG-CG 3.77Å
313	E	95.8	Very high	93.5	Very high	25 Å²	25	32.5 Å²	32.5	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-43.8	179.6	-68.3	-65.8	166.5	0	0	111.4	I142 Q309 L316 A317 Y329 R349	I142-E313 HydrophobicContact CB-CB 4.08Å; I142-E313 VanDerWaalsContact CG2-C 3.44Å; I142-E313 HydrophobicContact CG2-CB 3.85Å; I142-E313 VanDerWaalsContact CG2-O 3.26Å; I142-E313 WeakPolarHBondContact CG2-O 3.22Å; Q309-E313 WeakPolarHBondContact O-CG 3.44Å; Q309-E313 PolarHBondContact O-N 2.83Å; E313-L316 PolarHBondContact O-N 3.19Å; E313-A317 PolarHBondContact O-N 3.1Å; E313-Y329 WeakPolarHBondContact OE1-CE1 3.28Å; E313-Y329 PolarHBondContact OE1-OH 2.82Å; E313-R349 VanDerWaalsContact CD-NH1 3.34Å; E313-R349 IonicContact OE1-CZ 3.56Å; E313-R349 IonicContact OE1-NH1 3.58Å; E313-R349 PolarHBondContact OE1-NH1 2.89Å; E313-R349 IonicContact OE1-NH2 3.5Å; E313-R349 IonicContact OE2-CZ 3.91Å; E313-R349 IonicContact OE2-NH1 2.71Å; E313-R349 PolarHBondContact OE2-NH1 3.43Å; E313-R349 IonicContact OE2-NH2 2.69Å; E313-R349 PolarHBondContact OE2-NH2 3.07Å
314	R	94.8	Very high	93.6	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-48	173.2	-77.9	171.7	62.3	-174.6	4.4	112.4	E278 Y292 I310 F312 L316 A317 E318	E278-R314 IonicContact OE1-CZ 2.68Å; E278-R314 IonicContact OE1-NH1 2.72Å; E278-R314 PolarHBondContact OE1-NH1 2.95Å; E278-R314 IonicContact OE1-NH2 3.57Å; E278-R314 IonicContact OE2-CZ 2.64Å; E278-R314 IonicContact OE2-NH1 2.96Å; E278-R314 PolarHBondContact OE2-NH1 3.05Å; E278-R314 IonicContact OE2-NH2 3.85Å; E278-R314 PolarHBondContact OE2-NH2 2.86Å; Y292-R314 HydrophobicContact CE1-CB 4.02Å; I310-R314 WeakPolarHBondContact O-CB 3.04Å; I310-R314 WeakPolarHBondContact O-CG 3.3Å; I310-R314 PolarHBondContact O-N 3.13Å; F312-R314 VanDerWaalsContact C-N 3.34Å; F312-R314 PolarHBondContact O-N 3.33Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 2.92Å; R314-A317 PolarHBondContact O-N 3.11Å; R314-E318 PolarHBondContact O-N 3.29Å
315	A	94.9	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-42.9	178.3	0	0	0	0	0	111.5	Y292 I296 T311 F312 A317 E318 N319 M325	Y292-A315 HydrophobicContact CD1-CB 3.58Å; Y292-A315 HydrophobicContact CD2-CB 4.26Å; Y292-A315 HydrophobicContact CE1-CB 4.24Å; Y292-A315 HydrophobicContact CG-CB 3.61Å; I296-A315 HydrophobicContact CD1-CB 3.72Å; T311-A315 WeakPolarHBondContact O-CB 3.37Å; T311-A315 PolarHBondContact O-N 3.29Å; T311-A315 VanDerWaalsContact O-N 3.1Å; F312-A315 PolarHBondContact O-N 3.21Å; A315-A317 PolarHBondContact O-N 2.58Å; A315-E318 PolarHBondContact O-N 2.83Å; A315-N319 VanDerWaalsContact O-CB 3.24Å; A315-N319 WeakPolarHBondContact O-CB 3.3Å; A315-N319 PolarHBondContact O-N 3.5Å; A315-N319 PolarHBondContact O-ND2 2.66Å; A315-M325 HydrophobicContact CB-CE 4.34Å
316	L	94.2	Very high	93.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-25.7	-179.7	-70	169.6	0	0	0	113.3	F312 E313 R314 C320 M325 W326 Y329	F312-L316 WeakPolarHBondContact O-CB 3.23Å; F312-L316 VanDerWaalsContact O-CG 3.29Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3.27Å; E313-L316 PolarHBondContact O-N 3.19Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 2.92Å; L316-C320 WeakPolarHBondContact O-CA 3.42Å; L316-C320 WeakPolarHBondContact O-CB 3.24Å; L316-C320 PolarHBondContact O-N 3.17Å; L316-M325 HydrophobicContact CD2-CB 3.71Å; L316-W326 HydrophobicContact CB-CZ2 4.39Å; L316-W326 HydrophobicContact CD1-CD2 4.22Å; L316-W326 HydrophobicContact CD1-CE3 3.88Å; L316-W326 HydrophobicContact CD1-CH2 4.11Å; L316-W326 HydrophobicContact CD1-CZ2 4.41Å; L316-W326 HydrophobicContact CD1-CZ3 3.85Å; L316-W326 HydrophobicContact CD2-CD2 3.86Å; L316-W326 HydrophobicContact CD2-CE3 4.38Å; L316-W326 HydrophobicContact CD2-CG 4.1Å; L316-W326 HydrophobicContact CD2-CZ2 4.17Å; L316-Y329 HydrophobicContact CD1-CD1 3.43Å; L316-Y329 VanDerWaalsContact CD1-CD1 3.43Å; L316-Y329 HydrophobicContact CD1-CE1 3.99Å; L316-Y329 HydrophobicContact CD1-CG 4.22Å
317	A	91.1	Very high	93.9	Very high	45 Å²	45	29.9 Å²	29.9	37%	0.372	16%	0.163	S	C	.	.	H	α-helix	trans	-68.6	-31	171.4	0	0	0	0	0	113	I142 E313 R314 A315	I142-A317 HydrophobicContact CG2-CB 3.83Å; E313-A317 PolarHBondContact O-N 3.1Å; R314-A317 PolarHBondContact O-N 3.11Å; A315-A317 PolarHBondContact O-N 2.58Å
318	E	89.1	Confident	94	Very high	79 Å²	79	31.8 Å²	31.8	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-92.6	-21.6	173.3	-73.2	-177.9	-109.9	0	0	113.1	K288 Y292 R314 A315	K288-E318 WeakPolarHBondContact CD-OE2 3.3Å; K288-E318 VanDerWaalsContact CE-OE2 3.29Å; K288-E318 WeakPolarHBondContact CE-OE2 3.29Å; K288-E318 IonicContact NZ-OE1 3.49Å; K288-E318 IonicContact NZ-OE2 3.65Å; K288-E318 PolarHBondContact NZ-OE2 2.69Å; Y292-E318 HydrophobicContact CE2-CB 4.17Å; Y292-E318 HydrophobicContact CE2-CG 4.35Å; Y292-E318 VanDerWaalsContact CE2-OE1 3.3Å; Y292-E318 WeakPolarHBondContact CE2-OE1 3.4Å; Y292-E318 PolarHBondContact OH-OE1 3.33Å; R314-E318 PolarHBondContact O-N 3.29Å; A315-E318 PolarHBondContact O-N 2.83Å
319	N	90.3	Very high	94	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.172	C	C	.	.			trans	-129.9	36.6	-170.7	-67.1	-100.9	0	0	0	113.2	P287 L289 A315 L321 V322	P287-N319 PolarHBondContact O-ND2 2.74Å; P287-N319 PolarHBondContact O-OD1 2.92Å; L289-N319 WeakPolarHBondContact CB-OD1 3.43Å; L289-N319 HydrophobicContact CD1-CB 4.3Å; A315-N319 VanDerWaalsContact O-CB 3.24Å; A315-N319 WeakPolarHBondContact O-CB 3.3Å; A315-N319 PolarHBondContact O-N 3.5Å; A315-N319 PolarHBondContact O-ND2 2.66Å; N319-L321 PolarHBondContact O-N 3.45Å; N319-L321 VanDerWaalsContact O-N 3.14Å; N319-V322 HydrophobicContact CB-CG2 4.07Å; N319-V322 PolarHBondContact O-N 3.5Å
320	C	89.2	Confident	94.1	Very high	23 Å²	23	29.5 Å²	29.5	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.5	-172.5	63.3	0	0	0	0	114.5	Y141 L316 V322 W326 N353	Y141-C320 HydrophobicContact CE1-CB 3.57Å; L316-C320 WeakPolarHBondContact O-CA 3.42Å; L316-C320 WeakPolarHBondContact O-CB 3.24Å; L316-C320 PolarHBondContact O-N 3.17Å; C320-V322 VanDerWaalsContact C-N 3.28Å; C320-V322 PolarHBondContact O-N 3Å; C320-W326 PolarHBondContact O-NE1 2.94Å; C320-N353 WeakPolarHBondContact CB-OD1 3.41Å
321	L	88.8	Confident	94.2	Very high	111 Å²	111	30.9 Å²	30.9	58%	0.581	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	15.9	-178	-48.7	-174.8	0	0	0	114	N319 P323 W356	N319-L321 PolarHBondContact O-N 3.45Å; N319-L321 VanDerWaalsContact O-N 3.14Å; L321-P323 WeakPolarHBondContact O-CD 3.45Å; L321-W356 HydrophobicContact CD2-CH2 4.32Å
322	V	92.1	Very high	94.2	Very high	35 Å²	35	32.3 Å²	32.3	21%	0.212	18%	0.176	C	C	.	.			trans	-105.5	101	-179.9	-173.9	0	0	0	0	110.3	L289 N319 C320 D324 M325	L289-V322 HydrophobicContact CD1-CG1 4.47Å; L289-V322 HydrophobicContact CD2-CG1 4.32Å; L289-V322 HydrophobicContact CD2-CG2 4.36Å; N319-V322 HydrophobicContact CB-CG2 4.07Å; N319-V322 PolarHBondContact O-N 3.5Å; C320-V322 VanDerWaalsContact C-N 3.28Å; C320-V322 PolarHBondContact O-N 3Å; V322-D324 VanDerWaalsContact C-N 3.28Å; V322-D324 PolarHBondContact O-N 2.86Å; V322-M325 HydrophobicContact CB-CB 4.33Å; V322-M325 HydrophobicContact CB-CG 3.95Å; V322-M325 HydrophobicContact CG1-CB 4.4Å; V322-M325 HydrophobicContact CG1-CG 3.74Å; V322-M325 WeakPolarHBondContact O-CB 3.29Å; V322-M325 PolarHBondContact O-N 3.38Å; V322-M325 VanDerWaalsContact O-N 3.09Å
323	P	92.9	Very high	94.2	Very high	29 Å²	29	32.3 Å²	32.3	19%	0.188	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-29.1	-172.1	-19.8	31.1	0	0	0	114.3	L321 M325 W326 T327 C354 T357 L360	L321-P323 WeakPolarHBondContact O-CD 3.45Å; P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 3.4Å; P323-W326 PolarHBondContact O-N 3.17Å; P323-T327 WeakPolarHBondContact O-CB 3.03Å; P323-T327 PolarHBondContact O-N 3.3Å; P323-T327 PolarHBondContact O-OG1 3.46Å; P323-C354 HydrophobicContact CB-CB 4.37Å; P323-C354 HydrophobicContact CG-CB 4.08Å; P323-T357 HydrophobicContact CB-CG2 3.81Å; P323-T357 HydrophobicContact CG-CG2 4.34Å; P323-T357 VanDerWaalsContact CG-OG1 3.31Å; P323-T357 WeakPolarHBondContact CG-OG1 3.29Å; P323-L360 HydrophobicContact CB-CD1 4.23Å
324	D	94.5	Very high	94.1	Very high	123 Å²	123	32 Å²	32	66%	0.658	18%	0.175	S	C	*	.	H	α-helix	trans	-65.4	-32.4	176.4	-67.6	-31.7	0	0	0	112.4	V322 T327 K328	V322-D324 VanDerWaalsContact C-N 3.28Å; V322-D324 PolarHBondContact O-N 2.86Å; D324-T327 PolarHBondContact O-N 2.89Å; D324-K328 VanDerWaalsContact O-CB 3.29Å; D324-K328 WeakPolarHBondContact O-CB 3.47Å; D324-K328 PolarHBondContact O-N 2.71Å
325	M	94.7	Very high	94	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-69.1	-45	177.4	-67.4	-54.8	-58.2	0	0	111	L289 Q293 I296 F312 A315 L316 V322 P323 K328 Y329	L289-M325 HydrophobicContact CD1-CG 3.81Å; L289-M325 HydrophobicContact CD1-SD 3.9Å; Q293-M325 HydrophobicContact CG-CE 4.44Å; Q293-M325 HydrophobicContact CG-SD 3.82Å; I296-M325 HydrophobicContact CD1-CE 3.43Å; I296-M325 VanDerWaalsContact CD1-CE 3.43Å; F312-M325 HydrophobicContact CD1-CE 4.48Å; F312-M325 HydrophobicContact CE1-CE 4.41Å; A315-M325 HydrophobicContact CB-CE 4.34Å; L316-M325 HydrophobicContact CD2-CB 3.71Å; V322-M325 HydrophobicContact CB-CB 4.33Å; V322-M325 HydrophobicContact CB-CG 3.95Å; V322-M325 HydrophobicContact CG1-CB 4.4Å; V322-M325 HydrophobicContact CG1-CG 3.74Å; V322-M325 WeakPolarHBondContact O-CB 3.29Å; V322-M325 PolarHBondContact O-N 3.38Å; V322-M325 VanDerWaalsContact O-N 3.09Å; P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 3.4Å; M325-K328 PolarHBondContact O-N 3.22Å; M325-Y329 WeakPolarHBondContact O-CB 3.42Å; M325-Y329 PolarHBondContact O-N 3.39Å
326	W	96.9	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-47.6	170.7	-71.7	107.1	0	0	0	111.5	L316 C320 P323 K328 Y329 T330 T346 R349 A350 N353 L360	L316-W326 HydrophobicContact CB-CZ2 4.39Å; L316-W326 HydrophobicContact CD1-CD2 4.22Å; L316-W326 HydrophobicContact CD1-CE3 3.88Å; L316-W326 HydrophobicContact CD1-CH2 4.11Å; L316-W326 HydrophobicContact CD1-CZ2 4.41Å; L316-W326 HydrophobicContact CD1-CZ3 3.85Å; L316-W326 HydrophobicContact CD2-CD2 3.86Å; L316-W326 HydrophobicContact CD2-CE3 4.38Å; L316-W326 HydrophobicContact CD2-CG 4.1Å; L316-W326 HydrophobicContact CD2-CZ2 4.17Å; C320-W326 PolarHBondContact O-NE1 2.94Å; P323-W326 PolarHBondContact O-N 3.17Å; W326-K328 VanDerWaalsContact C-N 3.33Å; W326-K328 PolarHBondContact O-N 3.15Å; W326-Y329 PolarHBondContact O-N 3.05Å; W326-T330 WeakPolarHBondContact O-CG2 3.47Å; W326-T330 PolarHBondContact O-N 2.82Å; W326-T330 PolarHBondContact O-OG1 3.06Å; W326-T346 HydrophobicContact CE3-CG2 4.28Å; W326-T346 HydrophobicContact CZ3-CG2 4.09Å; W326-R349 HydrophobicContact CH2-CB 3.78Å; W326-R349 HydrophobicContact CZ3-CB 3.87Å; W326-A350 HydrophobicContact CB-CB 3.82Å; W326-A350 HydrophobicContact CD2-CB 3.67Å; W326-A350 HydrophobicContact CE3-CB 3.58Å; W326-A350 HydrophobicContact CG-CB 3.79Å; W326-A350 HydrophobicContact CZ3-CB 4.39Å; W326-N353 HydrophobicContact CZ2-CB 4.02Å; W326-N353 VanDerWaalsContact CZ2-ND2 3.26Å; W326-N353 WeakPolarHBondContact CZ2-ND2 3.26Å; W326-L360 HydrophobicContact CB-CD1 4.46Å; W326-L360 HydrophobicContact CB-CD2 3.97Å
327	T	97	Very high	93.9	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.239	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-41.3	179.7	-57.7	0	0	0	0	111.9	P323 D324 T330 T331 L360	P323-T327 WeakPolarHBondContact O-CB 3.03Å; P323-T327 PolarHBondContact O-N 3.3Å; P323-T327 PolarHBondContact O-OG1 3.46Å; D324-T327 PolarHBondContact O-N 2.89Å; T327-T330 PolarHBondContact O-OG1 2.83Å; T327-T331 WeakPolarHBondContact O-CB 3.2Å; T327-T331 PolarHBondContact O-N 2.72Å; T327-T331 PolarHBondContact O-OG1 3.05Å; T327-L360 WeakPolarHBondContact OG1-CD2 3.41Å
328	K	96.6	Very high	94	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.291	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-41.8	176.3	-165.8	-178.7	-179	176	0	111.4	D297 F312 D324 M325 W326 Y332	D297-K328 VanDerWaalsContact CG-NZ 3.32Å; D297-K328 WeakPolarHBondContact OD1-CE 3.46Å; D297-K328 IonicContact OD1-NZ 3.76Å; D297-K328 PolarHBondContact OD1-NZ 3.34Å; D297-K328 IonicContact OD2-NZ 3.27Å; D297-K328 PolarHBondContact OD2-NZ 3.05Å; F312-K328 HydrophobicContact CE1-CB 4.21Å; F312-K328 HydrophobicContact CE1-CD 4.27Å; F312-K328 HydrophobicContact CE1-CG 4.15Å; F312-K328 HydrophobicContact CZ-CB 4.43Å; F312-K328 HydrophobicContact CZ-CD 4.27Å; F312-K328 HydrophobicContact CZ-CG 3.98Å; D324-K328 VanDerWaalsContact O-CB 3.29Å; D324-K328 WeakPolarHBondContact O-CB 3.47Å; D324-K328 PolarHBondContact O-N 2.71Å; M325-K328 PolarHBondContact O-N 3.22Å; W326-K328 VanDerWaalsContact C-N 3.33Å; W326-K328 PolarHBondContact O-N 3.15Å; K328-Y332 PolarHBondContact O-N 3Å; K328-Y332 VanDerWaalsContact O-N 3.17Å
329	Y	97.6	Very high	94.3	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-70.7	-51.5	179.6	-175.5	-148	0	0	0	112.7	Q309 F312 E313 L316 M325 W326 T331 Y332 L333 T346	Q309-Y329 HydrophobicContact CG-CE2 4.31Å; F312-Y329 HydrophobicContact CB-CD1 4.25Å; F312-Y329 HydrophobicContact CB-CD2 3.56Å; F312-Y329 HydrophobicContact CB-CE1 4.37Å; F312-Y329 HydrophobicContact CB-CE2 3.72Å; F312-Y329 HydrophobicContact CB-CG 3.84Å; F312-Y329 HydrophobicContact CD1-CD2 4.05Å; F312-Y329 AromaticContact CD1-CG 3.94Å; F312-Y329 HydrophobicContact CD1-CG 3.94Å; F312-Y329 AromaticContact CD2-CD2 3.49Å; F312-Y329 HydrophobicContact CD2-CD2 3.49Å; F312-Y329 VanDerWaalsContact CD2-CD2 3.49Å; F312-Y329 HydrophobicContact CD2-CE2 4.06Å; F312-Y329 HydrophobicContact CD2-CG 4.23Å; F312-Y329 HydrophobicContact CE2-CD2 4.12Å; F312-Y329 AromaticContact CG-CD2 3.45Å; F312-Y329 HydrophobicContact CG-CD2 3.45Å; F312-Y329 VanDerWaalsContact CG-CD2 3.45Å; F312-Y329 HydrophobicContact CG-CE2 4.07Å; F312-Y329 AromaticContact CG-CG 3.77Å; F312-Y329 HydrophobicContact CG-CG 3.77Å; E313-Y329 WeakPolarHBondContact OE1-CE1 3.28Å; E313-Y329 PolarHBondContact OE1-OH 2.82Å; L316-Y329 HydrophobicContact CD1-CD1 3.43Å; L316-Y329 VanDerWaalsContact CD1-CD1 3.43Å; L316-Y329 HydrophobicContact CD1-CE1 3.99Å; L316-Y329 HydrophobicContact CD1-CG 4.22Å; M325-Y329 WeakPolarHBondContact O-CB 3.42Å; M325-Y329 PolarHBondContact O-N 3.39Å; W326-Y329 PolarHBondContact O-N 3.05Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 3.28Å; Y329-Y332 WeakPolarHBondContact O-CA 3.03Å; Y329-Y332 WeakPolarHBondContact O-CB 3.17Å; Y329-Y332 PolarHBondContact O-N 3.32Å; Y329-L333 HydrophobicContact CD2-CD1 4.24Å; Y329-L333 HydrophobicContact CD2-CG 4.14Å; Y329-L333 HydrophobicContact CE1-CD1 4.29Å; Y329-L333 HydrophobicContact CE2-CD1 3.91Å; Y329-L333 HydrophobicContact CE2-CD2 3.98Å; Y329-L333 HydrophobicContact CE2-CG 3.95Å; Y329-L333 WeakPolarHBondContact O-CG 3.24Å; Y329-L333 PolarHBondContact O-N 2.69Å; Y329-T346 HydrophobicContact CD1-CG2 3.42Å; Y329-T346 VanDerWaalsContact CD1-CG2 3.42Å; Y329-T346 HydrophobicContact CE1-CG2 3.42Å; Y329-T346 VanDerWaalsContact CE1-CG2 3.42Å; Y329-T346 HydrophobicContact CG-CG2 4.34Å
330	T	97.2	Very high	94.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-40.3	178.5	57.7	0	0	0	0	111.4	W326 T327 Y332 L333 D334 T346 H347	W326-T330 WeakPolarHBondContact O-CG2 3.47Å; W326-T330 PolarHBondContact O-N 2.82Å; W326-T330 PolarHBondContact O-OG1 3.06Å; T327-T330 PolarHBondContact O-OG1 2.83Å; T330-Y332 VanDerWaalsContact C-N 3.28Å; T330-Y332 PolarHBondContact O-N 2.83Å; T330-L333 PolarHBondContact O-N 3.23Å; T330-L333 VanDerWaalsContact O-N 3.15Å; T330-D334 WeakPolarHBondContact O-CB 3.38Å; T330-D334 PolarHBondContact O-N 2.71Å; T330-T346 HydrophobicContact CG2-CG2 3.84Å; T330-H347 WeakPolarHBondContact CB-CE1 3.06Å
331	T	96.8	Very high	94.7	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-37	172.9	-66.5	0	0	0	0	112.6	T327 Y329 R335	T327-T331 WeakPolarHBondContact O-CB 3.2Å; T327-T331 PolarHBondContact O-N 2.72Å; T327-T331 PolarHBondContact O-OG1 3.05Å; Y329-T331 VanDerWaalsContact C-N 3.32Å; Y329-T331 PolarHBondContact O-N 3.28Å; T331-R335 HydrophobicContact CG2-CG 4.49Å; T331-R335 VanDerWaalsContact O-CB 3.28Å; T331-R335 WeakPolarHBondContact O-CB 3.3Å; T331-R335 VanDerWaalsContact O-CG 3.24Å; T331-R335 WeakPolarHBondContact O-CG 3.5Å; T331-R335 PolarHBondContact O-N 3.29Å
332	Y	96.9	Very high	94.9	Very high	32 Å²	32	56.9 Å²	56.9	13%	0.125	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-46.9	173.7	169.7	-98.7	0	0	0	111.3	L300 P305 V308 K328 Y329 T330 R335 Q336 L337	L300-Y332 HydrophobicContact CD2-CD2 3.52Å; L300-Y332 HydrophobicContact CD2-CE2 3.71Å; L300-Y332 HydrophobicContact CD2-CG 4.22Å; P305-Y332 WeakPolarHBondContact CA-OH 3.32Å; V308-Y332 HydrophobicContact CB-CE1 4.13Å; V308-Y332 HydrophobicContact CG1-CD1 3.88Å; V308-Y332 HydrophobicContact CG1-CD2 4.37Å; V308-Y332 HydrophobicContact CG1-CE1 3.44Å; V308-Y332 VanDerWaalsContact CG1-CE1 3.44Å; V308-Y332 HydrophobicContact CG1-CE2 3.98Å; V308-Y332 HydrophobicContact CG1-CG 4.33Å; K328-Y332 PolarHBondContact O-N 3Å; K328-Y332 VanDerWaalsContact O-N 3.17Å; Y329-Y332 WeakPolarHBondContact O-CA 3.03Å; Y329-Y332 WeakPolarHBondContact O-CB 3.17Å; Y329-Y332 PolarHBondContact O-N 3.32Å; T330-Y332 VanDerWaalsContact C-N 3.28Å; T330-Y332 PolarHBondContact O-N 2.83Å; Y332-R335 PolarHBondContact O-N 2.77Å; Y332-Q336 HydrophobicContact CD2-CB 4.29Å; Y332-Q336 HydrophobicContact CD2-CG 3.74Å; Y332-Q336 HydrophobicContact CE2-CB 4.09Å; Y332-Q336 HydrophobicContact CE2-CG 3.81Å; Y332-Q336 VanDerWaalsContact O-CB 3.31Å; Y332-Q336 WeakPolarHBondContact O-CB 3.5Å; Y332-Q336 WeakPolarHBondContact O-CG 3.29Å; Y332-Q336 PolarHBondContact O-N 2.8Å; Y332-L337 HydrophobicContact CD1-CD1 4.16Å; Y332-L337 HydrophobicContact CE1-CD1 3.37Å; Y332-L337 HydrophobicContact CE2-CD1 4.46Å
333	L	96.4	Very high	95.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.266	C	S	.	.	I	π-helix	trans	-63.1	-49.3	178.4	-62	176.8	0	0	0	112.5	Q309 Y329 T330 R335 L337 K338 L342 V343 T346	Q309-L333 HydrophobicContact CG-CD2 4.43Å; Y329-L333 HydrophobicContact CD2-CD1 4.24Å; Y329-L333 HydrophobicContact CD2-CG 4.14Å; Y329-L333 HydrophobicContact CE1-CD1 4.29Å; Y329-L333 HydrophobicContact CE2-CD1 3.91Å; Y329-L333 HydrophobicContact CE2-CD2 3.98Å; Y329-L333 HydrophobicContact CE2-CG 3.95Å; Y329-L333 WeakPolarHBondContact O-CG 3.24Å; Y329-L333 PolarHBondContact O-N 2.69Å; T330-L333 PolarHBondContact O-N 3.23Å; T330-L333 VanDerWaalsContact O-N 3.15Å; L333-R335 VanDerWaalsContact C-N 3.27Å; L333-R335 PolarHBondContact O-N 2.92Å; L333-L337 HydrophobicContact CD2-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD2 3.91Å; L333-L337 PolarHBondContact O-N 3.21Å; L333-K338 PolarHBondContact O-N 3.1Å; L333-L342 HydrophobicContact CD1-CG 4.22Å; L333-L342 HydrophobicContact CD2-CD2 3.8Å; L333-L342 HydrophobicContact CD2-CG 4.16Å; L333-V343 HydrophobicContact CB-CG2 3.9Å; L333-T346 HydrophobicContact CD1-CG2 3.75Å; L333-T346 WeakPolarHBondContact CD1-OG1 3.33Å
334	D	94	Very high	95.3	Very high	19 Å²	19	54.9 Å²	54.9	10%	0.102	26%	0.263	C	S	.	.	I	π-helix	trans	-57.2	-36	177.4	-101.3	-62	0	0	0	112.8	T330 K338 H347 R370	T330-D334 WeakPolarHBondContact O-CB 3.38Å; T330-D334 PolarHBondContact O-N 2.71Å; D334-K338 WeakPolarHBondContact O-CE 3.3Å; D334-K338 WeakPolarHBondContact O-CG 3.38Å; D334-H347 IonicContact OD2-CD2 2.76Å; D334-H347 IonicContact OD2-CE1 3.6Å; D334-H347 IonicContact OD2-NE2 3.64Å; D334-H347 PolarHBondContact OD2-NE2 3.46Å; D334-R370 IonicContact OD1-CZ 2.79Å; D334-R370 IonicContact OD1-NH1 3.43Å; D334-R370 PolarHBondContact OD1-NH1 3.32Å; D334-R370 IonicContact OD2-NH1 2.67Å; D334-R370 PolarHBondContact OD2-NH1 3.43Å
335	R	93.9	Very high	95.3	Very high	170 Å²	170	51.3 Å²	51.3	64%	0.642	25%	0.247	S	C	*	.	I	π-helix	trans	-95.3	-37.4	-172.4	-65.7	-178.6	-176.2	-178.2	6.7	113.2	T331 Y332 L333 K338	T331-R335 HydrophobicContact CG2-CG 4.49Å; T331-R335 VanDerWaalsContact O-CB 3.28Å; T331-R335 WeakPolarHBondContact O-CB 3.3Å; T331-R335 VanDerWaalsContact O-CG 3.24Å; T331-R335 WeakPolarHBondContact O-CG 3.5Å; T331-R335 PolarHBondContact O-N 3.29Å; Y332-R335 PolarHBondContact O-N 2.77Å; L333-R335 VanDerWaalsContact C-N 3.27Å; L333-R335 PolarHBondContact O-N 2.92Å; R335-K338 WeakPolarHBondContact O-CE 3.45Å; R335-K338 PolarHBondContact O-NZ 2.64Å; R335-K338 VanDerWaalsContact O-NZ 3.15Å
336	Q	93.4	Very high	95.4	Very high	136 Å²	136	51.2 Å²	51.2	64%	0.636	25%	0.247	S	C	*	.	I	π-helix	trans	-102.2	-53.3	-172.7	-51.4	-59.2	-13.6	0	0	113.1	Y332	Y332-Q336 HydrophobicContact CD2-CB 4.29Å; Y332-Q336 HydrophobicContact CD2-CG 3.74Å; Y332-Q336 HydrophobicContact CE2-CB 4.09Å; Y332-Q336 HydrophobicContact CE2-CG 3.81Å; Y332-Q336 VanDerWaalsContact O-CB 3.31Å; Y332-Q336 WeakPolarHBondContact O-CB 3.5Å; Y332-Q336 WeakPolarHBondContact O-CG 3.29Å; Y332-Q336 PolarHBondContact O-N 2.8Å
337	L	92.4	Very high	95.4	Very high	35 Å²	35	51.3 Å²	51.3	18%	0.183	25%	0.247	C	C	.	.	I	π-helix	trans	-87.4	-46.8	-171.4	-81.7	71.9	0	0	0	113.3	P305 Q309 Y332 L333 I339 L342	P305-L337 HydrophobicContact CB-CD1 4.35Å; Q309-L337 HydrophobicContact CG-CD2 4.46Å; Y332-L337 HydrophobicContact CD1-CD1 4.16Å; Y332-L337 HydrophobicContact CE1-CD1 3.37Å; Y332-L337 HydrophobicContact CE2-CD1 4.46Å; L333-L337 HydrophobicContact CD2-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD2 3.91Å; L333-L337 PolarHBondContact O-N 3.21Å; L337-I339 HydrophobicContact CB-CG1 4.38Å; L337-I339 HydrophobicContact CD2-CD1 4.41Å; L337-I339 PolarHBondContact O-N 3.36Å; L337-I339 VanDerWaalsContact O-N 3.12Å; L337-L342 HydrophobicContact CD2-CD2 3.86Å
338	K	93.6	Very high	95.3	Very high	129 Å²	129	53.8 Å²	53.8	56%	0.561	26%	0.256	S	S	*	.			trans	55	26.5	179.2	-64.2	168.4	-178	159.8	0	114.9	L333 D334 R335 K340 H371	L333-K338 PolarHBondContact O-N 3.1Å; D334-K338 WeakPolarHBondContact O-CE 3.3Å; D334-K338 WeakPolarHBondContact O-CG 3.38Å; R335-K338 WeakPolarHBondContact O-CE 3.45Å; R335-K338 PolarHBondContact O-NZ 2.64Å; R335-K338 VanDerWaalsContact O-NZ 3.15Å; K338-K340 PolarHBondContact O-N 3.44Å; K338-H371 PolarHBondContact O-CE1 3.35Å
339	I	95.3	Very high	95.2	Very high	92 Å²	92	51.9 Å²	51.9	47%	0.472	25%	0.247	S	C	.	.			trans	-79.8	110.1	174	-59.3	174.2	0	0	0	107.6	L337 D341 L342 V343	L337-I339 HydrophobicContact CB-CG1 4.38Å; L337-I339 HydrophobicContact CD2-CD1 4.41Å; L337-I339 PolarHBondContact O-N 3.36Å; L337-I339 VanDerWaalsContact O-N 3.12Å; I339-D341 PolarHBondContact O-N 3.28Å; I339-L342 HydrophobicContact CB-CB 4.15Å; I339-L342 HydrophobicContact CB-CD2 4.49Å; I339-L342 HydrophobicContact CD1-CD2 4.47Å; I339-L342 HydrophobicContact CG2-CB 4.07Å; I339-L342 PolarHBondContact O-N 2.91Å; I339-V343 WeakPolarHBondContact O-CG2 3.49Å; I339-V343 PolarHBondContact O-N 3.25Å
340	K	94.5	Very high	95.2	Very high	81 Å²	81	51.9 Å²	51.9	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-45.9	-57.8	-171.7	175.1	167.5	-179.6	160.7	0	113	K338 L342 V343 L344 H371	K338-K340 PolarHBondContact O-N 3.44Å; K340-L342 VanDerWaalsContact C-N 3.31Å; K340-L342 PolarHBondContact O-N 2.72Å; K340-V343 PolarHBondContact O-N 3.17Å; K340-L344 HydrophobicContact CD-CD1 4.38Å; K340-L344 HydrophobicContact CG-CD1 3.75Å; K340-L344 HydrophobicContact CG-CG 4.34Å; K340-L344 WeakPolarHBondContact O-CB 3.22Å; K340-L344 WeakPolarHBondContact O-CG 3.35Å; K340-L344 PolarHBondContact O-N 3.27Å; K340-H371 HydrophobicContact CB-CB 4.46Å; K340-H371 HydrophobicContact CD-CB 3.98Å; K340-H371 WeakPolarHBondContact CE-O 3.27Å; K340-H371 HydrophobicContact CG-CB 3.88Å; K340-H371 PolarHBondContact NZ-O 2.78Å
341	D	93.2	Very high	95	Very high	121 Å²	121	52.1 Å²	52.1	65%	0.647	25%	0.248	S	C	*	.	H	α-helix	trans	-69.9	-32.9	-168.1	-46.2	-36.1	0	0	0	111.7	I339 S345	I339-D341 PolarHBondContact O-N 3.28Å; D341-S345 VanDerWaalsContact O-CB 3.27Å; D341-S345 WeakPolarHBondContact O-CB 3.32Å; D341-S345 PolarHBondContact O-N 2.65Å; D341-S345 VanDerWaalsContact O-N 3.12Å; D341-S345 PolarHBondContact O-OG 3.11Å
342	L	93.9	Very high	94.8	Very high	37 Å²	37	52.9 Å²	52.9	19%	0.194	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-44.6	173	176	65.2	0	0	0	112.1	L333 L337 I339 K340 S345 T346	L333-L342 HydrophobicContact CD1-CG 4.22Å; L333-L342 HydrophobicContact CD2-CD2 3.8Å; L333-L342 HydrophobicContact CD2-CG 4.16Å; L337-L342 HydrophobicContact CD2-CD2 3.86Å; I339-L342 HydrophobicContact CB-CB 4.15Å; I339-L342 HydrophobicContact CB-CD2 4.49Å; I339-L342 HydrophobicContact CD1-CD2 4.47Å; I339-L342 HydrophobicContact CG2-CB 4.07Å; I339-L342 PolarHBondContact O-N 2.91Å; K340-L342 VanDerWaalsContact C-N 3.31Å; K340-L342 PolarHBondContact O-N 2.72Å; L342-S345 PolarHBondContact O-OG 3.1Å; L342-T346 VanDerWaalsContact O-CB 3.3Å; L342-T346 WeakPolarHBondContact O-CB 3.49Å; L342-T346 PolarHBondContact O-N 2.65Å; L342-T346 VanDerWaalsContact O-N 3.1Å; L342-T346 PolarHBondContact O-OG1 3.11Å
343	V	96.3	Very high	94.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-50.5	178.3	169.2	0	0	0	0	110.3	L333 I339 K340 T346 H347 A367	L333-V343 HydrophobicContact CB-CG2 3.9Å; I339-V343 WeakPolarHBondContact O-CG2 3.49Å; I339-V343 PolarHBondContact O-N 3.25Å; K340-V343 PolarHBondContact O-N 3.17Å; V343-T346 PolarHBondContact O-N 3.22Å; V343-H347 PolarHBondContact O-CD2 2.87Å; V343-H347 VanDerWaalsContact O-CD2 3.26Å; V343-H347 PolarHBondContact O-N 2.63Å; V343-A367 HydrophobicContact CG1-CB 4.03Å
344	L	96.4	Very high	94.2	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-44.5	-175	-63.5	-177.6	0	0	0	112.3	K340 T346 H347 E348 Y364 A367 L368 H371	K340-L344 HydrophobicContact CD-CD1 4.38Å; K340-L344 HydrophobicContact CG-CD1 3.75Å; K340-L344 HydrophobicContact CG-CG 4.34Å; K340-L344 WeakPolarHBondContact O-CB 3.22Å; K340-L344 WeakPolarHBondContact O-CG 3.35Å; K340-L344 PolarHBondContact O-N 3.27Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.36Å; L344-H347 PolarHBondContact O-N 3.48Å; L344-E348 WeakPolarHBondContact O-CB 3.41Å; L344-E348 PolarHBondContact O-N 2.69Å; L344-Y364 HydrophobicContact CD2-CE2 4.39Å; L344-A367 HydrophobicContact CD2-CB 4.05Å; L344-L368 HydrophobicContact CD1-CD2 4.15Å; L344-L368 HydrophobicContact CD2-CD2 3.84Å; L344-L368 HydrophobicContact CD2-CG 4.07Å; L344-H371 HydrophobicContact CD1-CB 4.24Å; L344-H371 HydrophobicContact CD2-CB 4.49Å
345	S	95.1	Very high	94	Very high	48 Å²	48	52.8 Å²	52.8	34%	0.336	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-34.1	175.5	57.4	0	0	0	0	112.7	D341 L342 E348 R349	D341-S345 VanDerWaalsContact O-CB 3.27Å; D341-S345 WeakPolarHBondContact O-CB 3.32Å; D341-S345 PolarHBondContact O-N 2.65Å; D341-S345 VanDerWaalsContact O-N 3.12Å; D341-S345 PolarHBondContact O-OG 3.11Å; L342-S345 PolarHBondContact O-OG 3.1Å; S345-E348 PolarHBondContact O-N 3.5Å; S345-R349 WeakPolarHBondContact O-CB 3.26Å; S345-R349 WeakPolarHBondContact O-CD 3.4Å; S345-R349 WeakPolarHBondContact O-CG 3.25Å; S345-R349 PolarHBondContact O-N 3.02Å
346	T	96.2	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-39.3	175.6	-54.3	0	0	0	0	112.1	W326 Y329 T330 L333 L342 V343 L344 R349 A350	W326-T346 HydrophobicContact CE3-CG2 4.28Å; W326-T346 HydrophobicContact CZ3-CG2 4.09Å; Y329-T346 HydrophobicContact CD1-CG2 3.42Å; Y329-T346 VanDerWaalsContact CD1-CG2 3.42Å; Y329-T346 HydrophobicContact CE1-CG2 3.42Å; Y329-T346 VanDerWaalsContact CE1-CG2 3.42Å; Y329-T346 HydrophobicContact CG-CG2 4.34Å; T330-T346 HydrophobicContact CG2-CG2 3.84Å; L333-T346 HydrophobicContact CD1-CG2 3.75Å; L333-T346 WeakPolarHBondContact CD1-OG1 3.33Å; L342-T346 VanDerWaalsContact O-CB 3.3Å; L342-T346 WeakPolarHBondContact O-CB 3.49Å; L342-T346 PolarHBondContact O-N 2.65Å; L342-T346 VanDerWaalsContact O-N 3.1Å; L342-T346 PolarHBondContact O-OG1 3.11Å; V343-T346 PolarHBondContact O-N 3.22Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.36Å; T346-R349 PolarHBondContact O-N 3.09Å; T346-A350 WeakPolarHBondContact O-CB 3.39Å; T346-A350 PolarHBondContact O-N 3.3Å
347	H	97.2	Very high	93.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-39.6	172.9	-83.6	-71.1	0	0	0	112.4	T330 D334 V343 L344 A350 V351 Y364 A367	T330-H347 WeakPolarHBondContact CB-CE1 3.06Å; D334-H347 IonicContact OD2-CD2 2.76Å; D334-H347 IonicContact OD2-CE1 3.6Å; D334-H347 IonicContact OD2-NE2 3.64Å; D334-H347 PolarHBondContact OD2-NE2 3.46Å; V343-H347 PolarHBondContact O-CD2 2.87Å; V343-H347 VanDerWaalsContact O-CD2 3.26Å; V343-H347 PolarHBondContact O-N 2.63Å; L344-H347 PolarHBondContact O-N 3.48Å; H347-A350 WeakPolarHBondContact O-CB 3.49Å; H347-A350 PolarHBondContact O-N 3.02Å; H347-V351 PolarHBondContact O-N 3.13Å; H347-Y364 HydrophobicContact CB-CD2 3.37Å; H347-Y364 HydrophobicContact CB-CE2 4.05Å; H347-Y364 HydrophobicContact CB-CG 3.7Å; H347-A367 VanDerWaalsContact CD2-CB 3.42Å; H347-A367 WeakPolarHBondContact CD2-CB 3.45Å
348	E	95.3	Very high	93.9	Very high	91 Å²	91	43.6 Å²	43.6	43%	0.425	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-47.3	173.8	-176.8	172.1	-144.4	0	0	111.5	L344 S345 A350 V351 R352 Y364	L344-E348 WeakPolarHBondContact O-CB 3.41Å; L344-E348 PolarHBondContact O-N 2.69Å; S345-E348 PolarHBondContact O-N 3.5Å; E348-A350 VanDerWaalsContact C-N 3.3Å; E348-A350 PolarHBondContact O-N 2.86Å; E348-V351 VanDerWaalsContact O-CG2 3.29Å; E348-V351 WeakPolarHBondContact O-CG2 3.41Å; E348-V351 PolarHBondContact O-N 2.56Å; E348-R352 WeakPolarHBondContact O-CG 3.33Å; E348-R352 PolarHBondContact O-N 2.95Å; E348-Y364 HydrophobicContact CB-CE1 4.28Å
349	R	94.8	Very high	94	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.106	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-39.1	174	-69.8	163.3	68.4	-141.6	-1.2	111.9	K139 D140 E313 W326 S345 T346 R352 N353	K139-R349 VanDerWaalsContact O-CD 3.26Å; K139-R349 WeakPolarHBondContact O-CD 3.2Å; K139-R349 PolarHBondContact O-NE 3.13Å; D140-R349 PolarHBondContact O-NE 3.4Å; D140-R349 PolarHBondContact O-NH2 3.05Å; E313-R349 VanDerWaalsContact CD-NH1 3.34Å; E313-R349 IonicContact OE1-CZ 3.56Å; E313-R349 IonicContact OE1-NH1 3.58Å; E313-R349 PolarHBondContact OE1-NH1 2.89Å; E313-R349 IonicContact OE1-NH2 3.5Å; E313-R349 IonicContact OE2-CZ 3.91Å; E313-R349 IonicContact OE2-NH1 2.71Å; E313-R349 PolarHBondContact OE2-NH1 3.43Å; E313-R349 IonicContact OE2-NH2 2.69Å; E313-R349 PolarHBondContact OE2-NH2 3.07Å; W326-R349 HydrophobicContact CH2-CB 3.78Å; W326-R349 HydrophobicContact CZ3-CB 3.87Å; S345-R349 WeakPolarHBondContact O-CB 3.26Å; S345-R349 WeakPolarHBondContact O-CD 3.4Å; S345-R349 WeakPolarHBondContact O-CG 3.25Å; S345-R349 PolarHBondContact O-N 3.02Å; T346-R349 PolarHBondContact O-N 3.09Å; R349-R352 PolarHBondContact O-N 3.18Å; R349-N353 WeakPolarHBondContact O-CB 3.3Å; R349-N353 PolarHBondContact O-N 3.23Å; R349-N353 VanDerWaalsContact O-N 3.08Å; R349-N353 PolarHBondContact O-ND2 3.02Å
350	A	95.6	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-46.8	177.4	0	0	0	0	0	112.6	W326 T346 H347 E348 N353 C354 L360	W326-A350 HydrophobicContact CB-CB 3.82Å; W326-A350 HydrophobicContact CD2-CB 3.67Å; W326-A350 HydrophobicContact CE3-CB 3.58Å; W326-A350 HydrophobicContact CG-CB 3.79Å; W326-A350 HydrophobicContact CZ3-CB 4.39Å; T346-A350 WeakPolarHBondContact O-CB 3.39Å; T346-A350 PolarHBondContact O-N 3.3Å; H347-A350 WeakPolarHBondContact O-CB 3.49Å; H347-A350 PolarHBondContact O-N 3.02Å; E348-A350 VanDerWaalsContact C-N 3.3Å; E348-A350 PolarHBondContact O-N 2.86Å; A350-N353 PolarHBondContact O-N 2.82Å; A350-C354 PolarHBondContact O-N 3.21Å; A350-L360 HydrophobicContact CB-CD1 4.29Å; A350-L360 HydrophobicContact CB-CD2 4.34Å
351	V	94.3	Very high	94.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-73.5	-27.5	179.9	-61.5	0	0	0	0	113.3	H347 E348 N353 P355 L360 W361 Y364	H347-V351 PolarHBondContact O-N 3.13Å; E348-V351 VanDerWaalsContact O-CG2 3.29Å; E348-V351 WeakPolarHBondContact O-CG2 3.41Å; E348-V351 PolarHBondContact O-N 2.56Å; V351-N353 VanDerWaalsContact C-N 3.34Å; V351-P355 VanDerWaalsContact O-CA 3.24Å; V351-P355 WeakPolarHBondContact O-CA 3.27Å; V351-P355 WeakPolarHBondContact O-CB 3.49Å; V351-P355 WeakPolarHBondContact O-CD 3.41Å; V351-L360 HydrophobicContact CG1-CB 3.95Å; V351-W361 HydrophobicContact CB-CD2 3.84Å; V351-W361 HydrophobicContact CB-CE3 4Å; V351-W361 HydrophobicContact CB-CH2 3.98Å; V351-W361 HydrophobicContact CB-CZ2 3.82Å; V351-W361 HydrophobicContact CB-CZ3 4.07Å; V351-W361 HydrophobicContact CG1-CB 4.46Å; V351-W361 HydrophobicContact CG1-CD2 3.65Å; V351-W361 HydrophobicContact CG1-CE3 3.91Å; V351-W361 HydrophobicContact CG1-CG 3.9Å; V351-W361 HydrophobicContact CG1-CZ3 4.46Å; V351-W361 HydrophobicContact CG2-CD2 4.49Å; V351-W361 HydrophobicContact CG2-CE3 4.14Å; V351-W361 HydrophobicContact CG2-CH2 3.94Å; V351-W361 HydrophobicContact CG2-CZ2 4.29Å; V351-W361 HydrophobicContact CG2-CZ3 3.86Å; V351-Y364 HydrophobicContact CG1-CD1 4.23Å; V351-Y364 HydrophobicContact CG2-CD1 3.87Å; V351-Y364 HydrophobicContact CG2-CE1 4.1Å
352	R	91.8	Very high	94.5	Very high	61 Å²	61	29.4 Å²	29.4	23%	0.23	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-27.3	170.3	-69.3	-179.1	72.5	-130.1	-0.3	113.2	S100 E101 F103 P104 D140 E348 R349	S100-R352 PolarHBondContact O-NH2 3.42Å; E101-R352 PolarHBondContact O-NH2 3.43Å; F103-R352 VanDerWaalsContact C-NH2 3.26Å; F103-R352 PolarHBondContact O-NH2 3.09Å; F103-R352 VanDerWaalsContact O-NH2 3.12Å; P104-R352 HydrophobicContact CG-CB 3.72Å; D140-R352 IonicContact OD1-CZ 2.72Å; D140-R352 IonicContact OD1-NH1 3.4Å; D140-R352 PolarHBondContact OD1-NH1 3.24Å; E348-R352 WeakPolarHBondContact O-CG 3.33Å; E348-R352 PolarHBondContact O-N 2.95Å; R349-R352 PolarHBondContact O-N 3.18Å
353	N	90.3	Very high	94.6	Very high	7 Å²	7	29 Å²	29	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-85.7	-40.1	178.3	-86.1	-75	0	0	0	113.8	Y141 C320 W326 R349 A350 V351 W356	Y141-N353 PolarHBondContact OH-OD1 3.14Å; C320-N353 WeakPolarHBondContact CB-OD1 3.41Å; W326-N353 HydrophobicContact CZ2-CB 4.02Å; W326-N353 VanDerWaalsContact CZ2-ND2 3.26Å; W326-N353 WeakPolarHBondContact CZ2-ND2 3.26Å; R349-N353 WeakPolarHBondContact O-CB 3.3Å; R349-N353 PolarHBondContact O-N 3.23Å; R349-N353 VanDerWaalsContact O-N 3.08Å; R349-N353 PolarHBondContact O-ND2 3.02Å; A350-N353 PolarHBondContact O-N 2.82Å; V351-N353 VanDerWaalsContact C-N 3.34Å; N353-W356 WeakPolarHBondContact O-CH2 3.27Å
354	C	90.8	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.			trans	-127.2	55	-175.2	-68.4	0	0	0	0	112	P323 A350 W356 T357 L360	P323-C354 HydrophobicContact CB-CB 4.37Å; P323-C354 HydrophobicContact CG-CB 4.08Å; A350-C354 PolarHBondContact O-N 3.21Å; C354-W356 HydrophobicContact CB-CZ2 4.07Å; C354-W356 PolarHBondContact O-N 2.79Å; C354-W356 VanDerWaalsContact O-N 3.14Å; C354-T357 WeakPolarHBondContact O-CB 3.25Å; C354-T357 PolarHBondContact O-N 3.42Å; C354-T357 PolarHBondContact O-OG1 3.41Å; C354-L360 HydrophobicContact CB-CD1 3.57Å
355	P	90.8	Very high	94.8	Very high	42 Å²	42	29.2 Å²	29.2	27%	0.273	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.7	-171.2	21.9	-33.8	0	0	0	113.9	V351 T357 W361 A388 F390	V351-P355 VanDerWaalsContact O-CA 3.24Å; V351-P355 WeakPolarHBondContact O-CA 3.27Å; V351-P355 WeakPolarHBondContact O-CB 3.49Å; V351-P355 WeakPolarHBondContact O-CD 3.41Å; P355-T357 PolarHBondContact O-N 2.89Å; P355-T357 VanDerWaalsContact O-N 3.1Å; P355-W361 HydrophobicContact CB-CZ2 4.35Å; P355-W361 PolarHBondContact O-NE1 3.38Å; P355-A388 HydrophobicContact CB-CB 4.3Å; P355-A388 WeakPolarHBondContact O-CB 3.48Å; P355-F390 WeakPolarHBondContact O-CE1 3.26Å
356	W	88	Confident	94.9	Very high	113 Å²	113	29.8 Å²	29.8	43%	0.428	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.1	175.4	57.5	82.6	0	0	0	114.6	L321 N353 C354	L321-W356 HydrophobicContact CD2-CH2 4.32Å; N353-W356 WeakPolarHBondContact O-CH2 3.27Å; C354-W356 HydrophobicContact CB-CZ2 4.07Å; C354-W356 PolarHBondContact O-N 2.79Å; C354-W356 VanDerWaalsContact O-N 3.14Å
357	T	93.7	Very high	94.9	Very high	24 Å²	24	29.8 Å²	29.8	15%	0.147	14%	0.143	C	C	.	.			trans	-100	97.3	-175.7	-51.1	0	0	0	0	111.6	P323 C354 P355 S359 L360	P323-T357 HydrophobicContact CB-CG2 3.81Å; P323-T357 HydrophobicContact CG-CG2 4.34Å; P323-T357 VanDerWaalsContact CG-OG1 3.31Å; P323-T357 WeakPolarHBondContact CG-OG1 3.29Å; C354-T357 WeakPolarHBondContact O-CB 3.25Å; C354-T357 PolarHBondContact O-N 3.42Å; C354-T357 PolarHBondContact O-OG1 3.41Å; P355-T357 PolarHBondContact O-N 2.89Å; P355-T357 VanDerWaalsContact O-N 3.1Å; T357-S359 VanDerWaalsContact C-N 3.25Å; T357-S359 WeakPolarHBondContact CG2-OG 3.21Å; T357-S359 PolarHBondContact O-N 2.76Å; T357-L360 HydrophobicContact CG2-CD1 4.38Å; T357-L360 HydrophobicContact CG2-CG 4.09Å; T357-L360 PolarHBondContact O-N 3.21Å; T357-L360 VanDerWaalsContact O-N 3.11Å
358	M	95.3	Very high	94.9	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.059	15%	0.145	C	C	.	.	H	α-helix	trans	-52.5	-37.8	-179.9	174.8	-76.9	-62.5	0	0	113.8	L360 W361 K362 F390 D395 E398 I399	M358-L360 PolarHBondContact O-N 3.17Å; M358-W361 PolarHBondContact O-N 2.94Å; M358-W361 VanDerWaalsContact O-N 3.14Å; M358-K362 WeakPolarHBondContact O-CB 3.49Å; M358-K362 PolarHBondContact O-N 3.43Å; M358-K362 HydrophobicContact SD-CB 3.93Å; M358-K362 HydrophobicContact SD-CD 3.82Å; M358-K362 HydrophobicContact SD-CG 4.5Å; M358-F390 HydrophobicContact CB-CD1 3.98Å; M358-F390 HydrophobicContact CB-CE1 3.86Å; M358-F390 HydrophobicContact CB-CE2 4.49Å; M358-F390 HydrophobicContact CB-CG 4.37Å; M358-F390 HydrophobicContact CB-CZ 4.13Å; M358-D395 HydrophobicContact CB-CB 3.86Å; M358-D395 WeakPolarHBondContact CB-OD1 3.48Å; M358-D395 HydrophobicContact CG-CB 4.07Å; M358-D395 WeakPolarHBondContact CG-O 3.1Å; M358-E398 HydrophobicContact CE-CB 3.58Å; M358-E398 VanDerWaalsContact CE-CD 3.48Å; M358-E398 HydrophobicContact CE-CG 4Å; M358-E398 WeakPolarHBondContact CE-OE2 3.49Å; M358-E398 HydrophobicContact CG-CB 4.42Å; M358-E398 HydrophobicContact SD-CB 3.64Å; M358-I399 HydrophobicContact CG-CB 4.31Å
359	S	96.2	Very high	94.9	Very high	48 Å²	48	28.4 Å²	28.4	34%	0.336	14%	0.137	S	C	.	.	H	α-helix	trans	-62.3	-26.8	-178.3	65	0	0	0	0	113.7	T357 S363	T357-S359 VanDerWaalsContact C-N 3.25Å; T357-S359 WeakPolarHBondContact CG2-OG 3.21Å; T357-S359 PolarHBondContact O-N 2.76Å; S359-S363 WeakPolarHBondContact O-CB 3.2Å; S359-S363 PolarHBondContact O-N 3.06Å; S359-S363 VanDerWaalsContact O-N 3.07Å; S359-S363 PolarHBondContact O-OG 2.94Å
360	L	97.1	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.9	-49	173.4	-63.5	178.2	0	0	0	110.9	P323 W326 T327 A350 V351 C354 T357 M358 K362 S363 Y364	P323-L360 HydrophobicContact CB-CD1 4.23Å; W326-L360 HydrophobicContact CB-CD1 4.46Å; W326-L360 HydrophobicContact CB-CD2 3.97Å; T327-L360 WeakPolarHBondContact OG1-CD2 3.41Å; A350-L360 HydrophobicContact CB-CD1 4.29Å; A350-L360 HydrophobicContact CB-CD2 4.34Å; V351-L360 HydrophobicContact CG1-CB 3.95Å; C354-L360 HydrophobicContact CB-CD1 3.57Å; T357-L360 HydrophobicContact CG2-CD1 4.38Å; T357-L360 HydrophobicContact CG2-CG 4.09Å; T357-L360 PolarHBondContact O-N 3.21Å; T357-L360 VanDerWaalsContact O-N 3.11Å; M358-L360 PolarHBondContact O-N 3.17Å; L360-K362 VanDerWaalsContact C-N 3.35Å; L360-K362 PolarHBondContact O-N 3.5Å; L360-S363 CarbonylContact O-C 3.58Å; L360-S363 WeakPolarHBondContact O-CB 3.38Å; L360-S363 PolarHBondContact O-N 3.33Å; L360-S363 VanDerWaalsContact O-N 3.1Å; L360-Y364 PolarHBondContact O-N 3.04Å
361	W	97.7	Very high	95	Very high	19 Å²	19	35.2 Å²	35.2	7%	0.072	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-44.5	175.2	-66.2	99.5	0	0	0	112.4	V351 P355 M358 S363 Y364 L365 V381 K384 A385 A388 F390 I399	V351-W361 HydrophobicContact CB-CD2 3.84Å; V351-W361 HydrophobicContact CB-CE3 4Å; V351-W361 HydrophobicContact CB-CH2 3.98Å; V351-W361 HydrophobicContact CB-CZ2 3.82Å; V351-W361 HydrophobicContact CB-CZ3 4.07Å; V351-W361 HydrophobicContact CG1-CB 4.46Å; V351-W361 HydrophobicContact CG1-CD2 3.65Å; V351-W361 HydrophobicContact CG1-CE3 3.91Å; V351-W361 HydrophobicContact CG1-CG 3.9Å; V351-W361 HydrophobicContact CG1-CZ3 4.46Å; V351-W361 HydrophobicContact CG2-CD2 4.49Å; V351-W361 HydrophobicContact CG2-CE3 4.14Å; V351-W361 HydrophobicContact CG2-CH2 3.94Å; V351-W361 HydrophobicContact CG2-CZ2 4.29Å; V351-W361 HydrophobicContact CG2-CZ3 3.86Å; P355-W361 HydrophobicContact CB-CZ2 4.35Å; P355-W361 PolarHBondContact O-NE1 3.38Å; M358-W361 PolarHBondContact O-N 2.94Å; M358-W361 VanDerWaalsContact O-N 3.14Å; W361-S363 VanDerWaalsContact C-N 3.26Å; W361-S363 PolarHBondContact O-N 3.31Å; W361-Y364 PolarHBondContact O-N 3.49Å; W361-L365 WeakPolarHBondContact O-CG 3.45Å; W361-L365 PolarHBondContact O-N 2.91Å; W361-V381 HydrophobicContact CE3-CG1 4.21Å; W361-V381 HydrophobicContact CZ3-CG1 4.27Å; W361-K384 HydrophobicContact CH2-CB 3.88Å; W361-K384 HydrophobicContact CZ3-CB 3.82Å; W361-A385 HydrophobicContact CB-CB 3.89Å; W361-A385 HydrophobicContact CD2-CB 3.59Å; W361-A385 HydrophobicContact CE3-CB 3.55Å; W361-A385 HydrophobicContact CG-CB 3.77Å; W361-A385 HydrophobicContact CZ3-CB 4.26Å; W361-A388 HydrophobicContact CZ2-CB 3.68Å; W361-F390 AromaticContact CD1-CE1 3.64Å; W361-F390 AromaticContact CD1-CZ 3.73Å; W361-F390 HydrophobicContact CG-CZ 4.31Å; W361-F390 AromaticContact NE1-CE1 3.92Å; W361-I399 HydrophobicContact CB-CD1 3.82Å
362	K	97.2	Very high	95	Very high	57 Å²	57	37.7 Å²	37.7	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-39	174.4	-176.8	175.2	-174.9	-177.6	0	111.9	M358 L360 Q366 E398 A402	M358-K362 WeakPolarHBondContact O-CB 3.49Å; M358-K362 PolarHBondContact O-N 3.43Å; M358-K362 HydrophobicContact SD-CB 3.93Å; M358-K362 HydrophobicContact SD-CD 3.82Å; M358-K362 HydrophobicContact SD-CG 4.5Å; L360-K362 VanDerWaalsContact C-N 3.35Å; L360-K362 PolarHBondContact O-N 3.5Å; K362-Q366 VanDerWaalsContact O-CG 3.24Å; K362-Q366 WeakPolarHBondContact O-CG 3.26Å; K362-Q366 PolarHBondContact O-N 2.97Å; K362-E398 IonicContact NZ-OE2 3.15Å; K362-E398 PolarHBondContact NZ-OE2 3.3Å; K362-A402 HydrophobicContact CG-CB 4.05Å
363	S	97.3	Very high	95.2	Very high	29 Å²	29	36 Å²	36	20%	0.203	19%	0.19	C	C	.	.	H	α-helix	trans	-73.3	-38.3	176.5	-58.5	0	0	0	0	112.3	S359 L360 W361 Q366 A367	S359-S363 WeakPolarHBondContact O-CB 3.2Å; S359-S363 PolarHBondContact O-N 3.06Å; S359-S363 VanDerWaalsContact O-N 3.07Å; S359-S363 PolarHBondContact O-OG 2.94Å; L360-S363 CarbonylContact O-C 3.58Å; L360-S363 WeakPolarHBondContact O-CB 3.38Å; L360-S363 PolarHBondContact O-N 3.33Å; L360-S363 VanDerWaalsContact O-N 3.1Å; W361-S363 VanDerWaalsContact C-N 3.26Å; W361-S363 PolarHBondContact O-N 3.31Å; S363-Q366 PolarHBondContact O-N 3.43Å; S363-A367 WeakPolarHBondContact O-CB 3.39Å; S363-A367 PolarHBondContact O-N 3.01Å
364	Y	98.1	Very high	95.5	Very high	19 Å²	19	39.7 Å²	39.7	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-47.6	177.5	-175.3	-161.1	0	0	0	112	L344 H347 E348 V351 L360 W361 Q366 A367 L368 V381	L344-Y364 HydrophobicContact CD2-CE2 4.39Å; H347-Y364 HydrophobicContact CB-CD2 3.37Å; H347-Y364 HydrophobicContact CB-CE2 4.05Å; H347-Y364 HydrophobicContact CB-CG 3.7Å; E348-Y364 HydrophobicContact CB-CE1 4.28Å; V351-Y364 HydrophobicContact CG1-CD1 4.23Å; V351-Y364 HydrophobicContact CG2-CD1 3.87Å; V351-Y364 HydrophobicContact CG2-CE1 4.1Å; L360-Y364 PolarHBondContact O-N 3.04Å; W361-Y364 PolarHBondContact O-N 3.49Å; Y364-Q366 VanDerWaalsContact C-N 3.28Å; Y364-Q366 PolarHBondContact O-N 2.86Å; Y364-A367 WeakPolarHBondContact O-CB 3.2Å; Y364-A367 PolarHBondContact O-N 2.91Å; Y364-L368 HydrophobicContact CD2-CD1 3.85Å; Y364-L368 HydrophobicContact CD2-CG 3.82Å; Y364-L368 HydrophobicContact CE1-CD1 4.44Å; Y364-L368 HydrophobicContact CE2-CD1 3.67Å; Y364-L368 HydrophobicContact CE2-CD2 3.82Å; Y364-L368 HydrophobicContact CE2-CG 3.61Å; Y364-L368 HydrophobicContact CG-CD1 4.31Å; Y364-L368 WeakPolarHBondContact O-CG 3.26Å; Y364-L368 PolarHBondContact O-N 3.42Å; Y364-V381 HydrophobicContact CD1-CG1 3.54Å; Y364-V381 HydrophobicContact CE1-CB 4.46Å; Y364-V381 HydrophobicContact CE1-CG1 3.64Å; Y364-V381 HydrophobicContact CE1-CG2 3.86Å; Y364-V381 HydrophobicContact CG-CG1 4.29Å
365	L	97.6	Very high	95.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-56.2	-42.3	174.6	-71.4	173.1	0	0	0	111.7	W361 E369 V378 V381 F382 I399	W361-L365 WeakPolarHBondContact O-CG 3.45Å; W361-L365 PolarHBondContact O-N 2.91Å; L365-E369 PolarHBondContact O-N 3.2Å; L365-V378 HydrophobicContact CD2-CG1 3.88Å; L365-V378 WeakPolarHBondContact CD2-O 3.36Å; L365-V381 HydrophobicContact CD2-CB 4.17Å; L365-V381 HydrophobicContact CD2-CG1 3.79Å; L365-V381 HydrophobicContact CG-CG1 4.37Å; L365-F382 HydrophobicContact CD1-CB 4.44Å; L365-F382 HydrophobicContact CD1-CD2 4.32Å; L365-F382 HydrophobicContact CD2-CB 4.14Å; L365-I399 HydrophobicContact CD1-CD1 3.66Å; L365-I399 HydrophobicContact CD1-CG1 4.46Å
366	Q	96.9	Very high	96	Very high	60 Å²	60	46.4 Å²	46.4	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-68.5	-34.1	175.2	-67.6	173.2	16.7	0	0	113	K362 S363 Y364 E369 R370	K362-Q366 VanDerWaalsContact O-CG 3.24Å; K362-Q366 WeakPolarHBondContact O-CG 3.26Å; K362-Q366 PolarHBondContact O-N 2.97Å; S363-Q366 PolarHBondContact O-N 3.43Å; Y364-Q366 VanDerWaalsContact C-N 3.28Å; Y364-Q366 PolarHBondContact O-N 2.86Å; Q366-E369 PolarHBondContact O-N 3.1Å; Q366-R370 WeakPolarHBondContact O-CB 3.26Å; Q366-R370 WeakPolarHBondContact O-CG 3.17Å; Q366-R370 PolarHBondContact O-N 3.45Å
367	A	97.1	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-41.1	176.2	0	0	0	0	0	111.8	V343 L344 H347 S363 Y364 E369 R370 H371	V343-A367 HydrophobicContact CG1-CB 4.03Å; L344-A367 HydrophobicContact CD2-CB 4.05Å; H347-A367 VanDerWaalsContact CD2-CB 3.42Å; H347-A367 WeakPolarHBondContact CD2-CB 3.45Å; S363-A367 WeakPolarHBondContact O-CB 3.39Å; S363-A367 PolarHBondContact O-N 3.01Å; Y364-A367 WeakPolarHBondContact O-CB 3.2Å; Y364-A367 PolarHBondContact O-N 2.91Å; A367-E369 VanDerWaalsContact C-N 3.34Å; A367-E369 PolarHBondContact O-N 3.39Å; A367-R370 PolarHBondContact O-N 3.02Å; A367-H371 WeakPolarHBondContact O-CB 3.35Å; A367-H371 PolarHBondContact O-CD2 3.28Å; A367-H371 PolarHBondContact O-N 3.3Å
368	L	97.2	Very high	96.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-45.7	171.8	-71.4	164.1	0	0	0	111.2	L344 Y364 H371 G372 A373 V378 V381	L344-L368 HydrophobicContact CD1-CD2 4.15Å; L344-L368 HydrophobicContact CD2-CD2 3.84Å; L344-L368 HydrophobicContact CD2-CG 4.07Å; Y364-L368 HydrophobicContact CD2-CD1 3.85Å; Y364-L368 HydrophobicContact CD2-CG 3.82Å; Y364-L368 HydrophobicContact CE1-CD1 4.44Å; Y364-L368 HydrophobicContact CE2-CD1 3.67Å; Y364-L368 HydrophobicContact CE2-CD2 3.82Å; Y364-L368 HydrophobicContact CE2-CG 3.61Å; Y364-L368 HydrophobicContact CG-CD1 4.31Å; Y364-L368 WeakPolarHBondContact O-CG 3.26Å; Y364-L368 PolarHBondContact O-N 3.42Å; L368-H371 PolarHBondContact O-N 3.28Å; L368-G372 PolarHBondContact O-N 3.05Å; L368-A373 HydrophobicContact CB-CB 3.86Å; L368-A373 HydrophobicContact CD2-CB 3.74Å; L368-A373 HydrophobicContact CG-CB 4.42Å; L368-A373 WeakPolarHBondContact O-CB 3.08Å; L368-A373 PolarHBondContact O-N 3.4Å; L368-V378 HydrophobicContact CB-CG2 3.92Å; L368-V381 HydrophobicContact CD1-CB 4.02Å; L368-V381 HydrophobicContact CD1-CG1 3.94Å; L368-V381 HydrophobicContact CD1-CG2 3.98Å
369	E	96.4	Very high	96.5	Very high	55 Å²	55	42.8 Å²	42.8	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-51	174.6	-176.2	179.7	-170.8	0	0	112.1	L365 Q366 A367 H371 G372 Y406 R409	L365-E369 PolarHBondContact O-N 3.2Å; Q366-E369 PolarHBondContact O-N 3.1Å; A367-E369 VanDerWaalsContact C-N 3.34Å; A367-E369 PolarHBondContact O-N 3.39Å; E369-H371 PolarHBondContact O-N 3.45Å; E369-G372 PolarHBondContact O-N 2.93Å; E369-G372 VanDerWaalsContact O-N 3.07Å; E369-Y406 HydrophobicContact CB-CD2 4.15Å; E369-Y406 HydrophobicContact CG-CD2 3.92Å; E369-Y406 HydrophobicContact CG-CE2 4.38Å; E369-R409 VanDerWaalsContact CD-NE 3.3Å; E369-R409 WeakPolarHBondContact OE1-CB 3.43Å; E369-R409 WeakPolarHBondContact OE1-CD 3.34Å; E369-R409 IonicContact OE1-CZ 3.07Å; E369-R409 IonicContact OE1-NE 3.59Å; E369-R409 PolarHBondContact OE1-NE 3.07Å; E369-R409 IonicContact OE1-NH2 3.78Å; E369-R409 IonicContact OE2-CZ 3.27Å; E369-R409 IonicContact OE2-NE 3.8Å; E369-R409 PolarHBondContact OE2-NE 3.14Å; E369-R409 VanDerWaalsContact OE2-NE 3.14Å; E369-R409 IonicContact OE2-NH2 3.63Å; E369-R409 PolarHBondContact OE2-NH2 3.11Å
370	R	95.7	Very high	96.5	Very high	132 Å²	132	43.8 Å²	43.8	50%	0.498	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-35.2	178.3	-74	167.4	-160.2	134.7	10.4	113	D334 Q366 A367	D334-R370 IonicContact OD1-CZ 2.79Å; D334-R370 IonicContact OD1-NH1 3.43Å; D334-R370 PolarHBondContact OD1-NH1 3.32Å; D334-R370 IonicContact OD2-NH1 2.67Å; D334-R370 PolarHBondContact OD2-NH1 3.43Å; Q366-R370 WeakPolarHBondContact O-CB 3.26Å; Q366-R370 WeakPolarHBondContact O-CG 3.17Å; Q366-R370 PolarHBondContact O-N 3.45Å; A367-R370 PolarHBondContact O-N 3.02Å
371	H	96.1	Very high	96.5	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.181	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	9.3	-178.4	-76.2	-60.2	0	0	0	114.2	K338 K340 L344 A367 L368 E369 A373	K338-H371 PolarHBondContact O-CE1 3.35Å; K340-H371 HydrophobicContact CB-CB 4.46Å; K340-H371 HydrophobicContact CD-CB 3.98Å; K340-H371 WeakPolarHBondContact CE-O 3.27Å; K340-H371 HydrophobicContact CG-CB 3.88Å; K340-H371 PolarHBondContact NZ-O 2.78Å; L344-H371 HydrophobicContact CD1-CB 4.24Å; L344-H371 HydrophobicContact CD2-CB 4.49Å; A367-H371 WeakPolarHBondContact O-CB 3.35Å; A367-H371 PolarHBondContact O-CD2 3.28Å; A367-H371 PolarHBondContact O-N 3.3Å; L368-H371 PolarHBondContact O-N 3.28Å; E369-H371 PolarHBondContact O-N 3.45Å; H371-A373 PolarHBondContact O-N 3.26Å
372	G	94.9	Very high	96.5	Very high	58 Å²	58	43.5 Å²	43.5	60%	0.598	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	49.2	177.6	0	0	0	0	0	112.1	L368 E369	L368-G372 PolarHBondContact O-N 3.05Å; E369-G372 PolarHBondContact O-N 2.93Å; E369-G372 VanDerWaalsContact O-N 3.07Å
373	A	95.2	Very high	96.4	Very high	25 Å²	25	43.8 Å²	43.8	21%	0.207	24%	0.235	C	C	.	.			trans	-63	154.7	163.3	0	0	0	0	0	110.3	L368 H371 V378	L368-A373 HydrophobicContact CB-CB 3.86Å; L368-A373 HydrophobicContact CD2-CB 3.74Å; L368-A373 HydrophobicContact CG-CB 4.42Å; L368-A373 WeakPolarHBondContact O-CB 3.08Å; L368-A373 PolarHBondContact O-N 3.4Å; H371-A373 PolarHBondContact O-N 3.26Å; A373-V378 HydrophobicContact CB-CG2 4.03Å
374	D	96.3	Very high	96.3	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	25%	0.252	S	S	.	.			trans	-69.8	161.5	174.6	68.6	-81	0	0	0	111.4	Q376 S377 V378	D374-Q376 VanDerWaalsContact C-N 3.31Å; D374-Q376 PolarHBondContact O-N 3.41Å; D374-Q376 WeakPolarHBondContact OD2-CA 3.14Å; D374-Q376 WeakPolarHBondContact OD2-CB 3.27Å; D374-Q376 PolarHBondContact OD2-N 3.17Å; D374-S377 VanDerWaalsContact CG-OG 3.31Å; D374-S377 VanDerWaalsContact OD1-CB 3.26Å; D374-S377 WeakPolarHBondContact OD1-CB 3.42Å; D374-S377 PolarHBondContact OD1-OG 3.05Å; D374-S377 PolarHBondContact OD2-N 3.27Å; D374-S377 PolarHBondContact OD2-OG 3.16Å; D374-V378 WeakPolarHBondContact O-CG2 3.26Å; D374-V378 PolarHBondContact O-N 2.98Å
375	H	95.3	Very high	96.1	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.296	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-28.3	-175.2	179.7	38.9	0	0	0	113.5	S379 Y406 R410 E423	H375-S379 PolarHBondContact CE1-OG 2.94Å; H375-S379 PolarHBondContact ND1-OG 2.9Å; H375-S379 WeakPolarHBondContact O-CB 3.28Å; H375-S379 PolarHBondContact O-N 3.13Å; H375-S379 VanDerWaalsContact O-N 3.11Å; H375-S379 PolarHBondContact O-OG 3.12Å; H375-Y406 AromaticContact ND1-CE1 3.81Å; H375-Y406 AromaticContact ND1-CZ 3.91Å; H375-Y406 PolarHBondContact ND1-OH 3.4Å; H375-Y406 VanDerWaalsContact ND1-OH 3.15Å; H375-R410 PolarHBondContact CE1-NH1 3.47Å; H375-R410 VanDerWaalsContact CE1-NH1 3.32Å; H375-R410 PolarHBondContact NE2-NH1 3.2Å; H375-E423 IonicContact NE2-OE2 3.43Å
376	Q	95.9	Very high	95.9	Very high	118 Å²	118	47.4 Å²	47.4	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-70.4	-51.1	179	-167.7	63.1	52.9	0	0	109.7	D374 V378 S379 D380	D374-Q376 VanDerWaalsContact C-N 3.31Å; D374-Q376 PolarHBondContact O-N 3.41Å; D374-Q376 WeakPolarHBondContact OD2-CA 3.14Å; D374-Q376 WeakPolarHBondContact OD2-CB 3.27Å; D374-Q376 PolarHBondContact OD2-N 3.17Å; Q376-V378 VanDerWaalsContact C-N 3.29Å; Q376-V378 PolarHBondContact O-N 3.13Å; Q376-S379 CarbonylContact O-C 3.43Å; Q376-S379 WeakPolarHBondContact O-CA 3.46Å; Q376-S379 WeakPolarHBondContact O-CB 3.38Å; Q376-S379 PolarHBondContact O-N 3.45Å; Q376-D380 PolarHBondContact NE2-OD1 2.9Å; Q376-D380 PolarHBondContact O-N 3.37Å
377	S	95.6	Very high	95.6	Very high	49 Å²	49	50.5 Å²	50.5	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-54.3	-40.5	176.9	-63.3	0	0	0	0	113.4	D374 V381	D374-S377 VanDerWaalsContact CG-OG 3.31Å; D374-S377 VanDerWaalsContact OD1-CB 3.26Å; D374-S377 WeakPolarHBondContact OD1-CB 3.42Å; D374-S377 PolarHBondContact OD1-OG 3.05Å; D374-S377 PolarHBondContact OD2-N 3.27Å; D374-S377 PolarHBondContact OD2-OG 3.16Å; S377-V381 WeakPolarHBondContact O-CB 3.41Å; S377-V381 VanDerWaalsContact O-CG2 3.29Å; S377-V381 WeakPolarHBondContact O-CG2 3.21Å; S377-V381 PolarHBondContact O-N 3.18Å; S377-V381 VanDerWaalsContact O-N 3.12Å
378	V	97.1	Very high	95.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-39.2	176	-177.7	0	0	0	0	111.6	L365 L368 A373 D374 Q376 F382 Y406	L365-V378 HydrophobicContact CD2-CG1 3.88Å; L365-V378 WeakPolarHBondContact CD2-O 3.36Å; L368-V378 HydrophobicContact CB-CG2 3.92Å; A373-V378 HydrophobicContact CB-CG2 4.03Å; D374-V378 WeakPolarHBondContact O-CG2 3.26Å; D374-V378 PolarHBondContact O-N 2.98Å; Q376-V378 VanDerWaalsContact C-N 3.29Å; Q376-V378 PolarHBondContact O-N 3.13Å; V378-F382 PolarHBondContact O-N 3.28Å; V378-Y406 HydrophobicContact CB-CE1 3.99Å; V378-Y406 HydrophobicContact CB-CE2 4.46Å; V378-Y406 HydrophobicContact CG1-CD1 3.82Å; V378-Y406 HydrophobicContact CG1-CD2 4.39Å; V378-Y406 HydrophobicContact CG1-CE1 3.44Å; V378-Y406 VanDerWaalsContact CG1-CE1 3.44Å; V378-Y406 HydrophobicContact CG1-CE2 4.05Å; V378-Y406 HydrophobicContact CG1-CG 4.27Å; V378-Y406 HydrophobicContact CG2-CE2 4.3Å
379	S	96.3	Very high	94.5	Very high	24 Å²	24	52.8 Å²	52.8	17%	0.168	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-44.7	178	-54.7	0	0	0	0	111.4	H375 Q376 V381 F382 E383	H375-S379 PolarHBondContact CE1-OG 2.94Å; H375-S379 PolarHBondContact ND1-OG 2.9Å; H375-S379 WeakPolarHBondContact O-CB 3.28Å; H375-S379 PolarHBondContact O-N 3.13Å; H375-S379 VanDerWaalsContact O-N 3.11Å; H375-S379 PolarHBondContact O-OG 3.12Å; Q376-S379 CarbonylContact O-C 3.43Å; Q376-S379 WeakPolarHBondContact O-CA 3.46Å; Q376-S379 WeakPolarHBondContact O-CB 3.38Å; Q376-S379 PolarHBondContact O-N 3.45Å; S379-V381 VanDerWaalsContact C-N 3.31Å; S379-V381 PolarHBondContact O-N 2.98Å; S379-F382 WeakPolarHBondContact O-CA 3.34Å; S379-F382 WeakPolarHBondContact O-CB 3.11Å; S379-F382 PolarHBondContact O-N 2.77Å; S379-E383 WeakPolarHBondContact O-CG 3.16Å; S379-E383 PolarHBondContact O-N 3.35Å
380	D	96.2	Very high	94.2	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-38.2	178	-62	-14.3	0	0	0	111.6	Q376 K384	Q376-D380 PolarHBondContact NE2-OD1 2.9Å; Q376-D380 PolarHBondContact O-N 3.37Å; D380-K384 WeakPolarHBondContact O-CB 3.3Å; D380-K384 VanDerWaalsContact O-CG 3.24Å; D380-K384 WeakPolarHBondContact O-CG 3.34Å; D380-K384 PolarHBondContact O-N 3.5Å
381	V	96.8	Very high	93.9	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-70	-32.9	173.8	170.2	0	0	0	0	111.8	W361 Y364 L365 L368 S377 S379 A385	W361-V381 HydrophobicContact CE3-CG1 4.21Å; W361-V381 HydrophobicContact CZ3-CG1 4.27Å; Y364-V381 HydrophobicContact CD1-CG1 3.54Å; Y364-V381 HydrophobicContact CE1-CB 4.46Å; Y364-V381 HydrophobicContact CE1-CG1 3.64Å; Y364-V381 HydrophobicContact CE1-CG2 3.86Å; Y364-V381 HydrophobicContact CG-CG1 4.29Å; L365-V381 HydrophobicContact CD2-CB 4.17Å; L365-V381 HydrophobicContact CD2-CG1 3.79Å; L365-V381 HydrophobicContact CG-CG1 4.37Å; L368-V381 HydrophobicContact CD1-CB 4.02Å; L368-V381 HydrophobicContact CD1-CG1 3.94Å; L368-V381 HydrophobicContact CD1-CG2 3.98Å; S377-V381 WeakPolarHBondContact O-CB 3.41Å; S377-V381 VanDerWaalsContact O-CG2 3.29Å; S377-V381 WeakPolarHBondContact O-CG2 3.21Å; S377-V381 PolarHBondContact O-N 3.18Å; S377-V381 VanDerWaalsContact O-N 3.12Å; S379-V381 VanDerWaalsContact C-N 3.31Å; S379-V381 PolarHBondContact O-N 2.98Å; V381-A385 WeakPolarHBondContact O-CB 3.36Å; V381-A385 PolarHBondContact O-N 3.26Å
382	F	97.6	Very high	93.6	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-44.5	173.3	169	-100.3	0	0	0	112.5	L365 V378 S379 K384 A385 L386 I399 W400 N403	L365-F382 HydrophobicContact CD1-CB 4.44Å; L365-F382 HydrophobicContact CD1-CD2 4.32Å; L365-F382 HydrophobicContact CD2-CB 4.14Å; V378-F382 PolarHBondContact O-N 3.28Å; S379-F382 WeakPolarHBondContact O-CA 3.34Å; S379-F382 WeakPolarHBondContact O-CB 3.11Å; S379-F382 PolarHBondContact O-N 2.77Å; F382-K384 VanDerWaalsContact C-N 3.31Å; F382-K384 PolarHBondContact O-N 3.41Å; F382-A385 WeakPolarHBondContact O-CB 3.34Å; F382-A385 PolarHBondContact O-N 2.93Å; F382-A385 VanDerWaalsContact O-N 3.07Å; F382-L386 HydrophobicContact CD1-CD1 4.42Å; F382-L386 HydrophobicContact CE1-CD1 3.59Å; F382-L386 HydrophobicContact CE1-CG 4.09Å; F382-L386 HydrophobicContact CE2-CD1 4.47Å; F382-L386 HydrophobicContact CE2-CD2 4.17Å; F382-L386 HydrophobicContact CE2-CG 4.16Å; F382-L386 HydrophobicContact CZ-CD1 3.62Å; F382-L386 HydrophobicContact CZ-CD2 3.94Å; F382-L386 HydrophobicContact CZ-CG 3.79Å; F382-L386 PolarHBondContact O-N 3.36Å; F382-I399 HydrophobicContact CD2-CG1 4.23Å; F382-I399 HydrophobicContact CE2-CG1 4.24Å; F382-W400 HydrophobicContact CE1-CE3 4.3Å; F382-W400 AromaticContact CE1-CH2 3.89Å; F382-W400 HydrophobicContact CE1-CH2 3.89Å; F382-W400 HydrophobicContact CE1-CZ2 4.36Å; F382-W400 AromaticContact CE1-CZ3 3.87Å; F382-W400 HydrophobicContact CE1-CZ3 3.87Å; F382-W400 HydrophobicContact CE2-CD2 4.4Å; F382-W400 HydrophobicContact CE2-CE3 4.3Å; F382-W400 AromaticContact CZ-CD2 3.73Å; F382-W400 HydrophobicContact CZ-CD2 3.73Å; F382-W400 AromaticContact CZ-CE2 3.93Å; F382-W400 AromaticContact CZ-CE3 3.51Å; F382-W400 HydrophobicContact CZ-CE3 3.51Å; F382-W400 AromaticContact CZ-CH2 3.76Å; F382-W400 HydrophobicContact CZ-CH2 3.76Å; F382-W400 AromaticContact CZ-CZ2 3.96Å; F382-W400 HydrophobicContact CZ-CZ2 3.96Å; F382-W400 AromaticContact CZ-CZ3 3.54Å; F382-W400 HydrophobicContact CZ-CZ3 3.54Å; F382-N403 WeakPolarHBondContact CD1-ND2 3.49Å; F382-N403 HydrophobicContact CD2-CB 3.46Å; F382-N403 VanDerWaalsContact CD2-CB 3.46Å; F382-N403 WeakPolarHBondContact CE1-ND2 3.15Å; F382-N403 HydrophobicContact CE2-CB 3.53Å; F382-N403 HydrophobicContact CG-CB 4.01Å; F382-N403 VanDerWaalsContact CG-ND2 3.31Å; F382-N403 WeakPolarHBondContact CG-ND2 3.47Å; F382-N403 HydrophobicContact CZ-CB 4.14Å; F382-N403 WeakPolarHBondContact CZ-ND2 3.33Å
383	E	95.9	Very high	93.4	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-37.8	175.3	-59.6	-56.8	148.8	0	0	111.1	S379 A385 L386 N387 R430	S379-E383 WeakPolarHBondContact O-CG 3.16Å; S379-E383 PolarHBondContact O-N 3.35Å; E383-A385 VanDerWaalsContact C-N 3.31Å; E383-A385 PolarHBondContact O-N 2.8Å; E383-L386 PolarHBondContact O-N 2.84Å; E383-N387 PolarHBondContact O-N 3.03Å; E383-N387 PolarHBondContact O-ND2 3.49Å; E383-R430 IonicContact OE1-CZ 3.52Å; E383-R430 IonicContact OE1-NH1 3.99Å; E383-R430 PolarHBondContact OE1-NH1 3.14Å; E383-R430 IonicContact OE1-NH2 2.72Å; E383-R430 PolarHBondContact OE1-NH2 3.32Å; E383-R430 IonicContact OE2-CZ 2.78Å; E383-R430 IonicContact OE2-NH1 2.74Å; E383-R430 IonicContact OE2-NH2 3.94Å; E383-R430 PolarHBondContact OE2-NH2 3.05Å
384	K	93.5	Very high	93.4	Very high	126 Å²	126	51.7 Å²	51.7	55%	0.548	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-39.7	169.9	-75.6	169.6	-179.8	177.7	0	112.2	W361 D380 F382 N387 A388	W361-K384 HydrophobicContact CH2-CB 3.88Å; W361-K384 HydrophobicContact CZ3-CB 3.82Å; D380-K384 WeakPolarHBondContact O-CB 3.3Å; D380-K384 VanDerWaalsContact O-CG 3.24Å; D380-K384 WeakPolarHBondContact O-CG 3.34Å; D380-K384 PolarHBondContact O-N 3.5Å; F382-K384 VanDerWaalsContact C-N 3.31Å; F382-K384 PolarHBondContact O-N 3.41Å; K384-N387 PolarHBondContact O-N 2.99Å; K384-A388 PolarHBondContact O-N 3.14Å; K384-A388 VanDerWaalsContact O-N 3.13Å
385	A	95.2	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.4	0	0	0	0	0	112.7	W361 V381 F382 E383 N387 A388 F390 I399	W361-A385 HydrophobicContact CB-CB 3.89Å; W361-A385 HydrophobicContact CD2-CB 3.59Å; W361-A385 HydrophobicContact CE3-CB 3.55Å; W361-A385 HydrophobicContact CG-CB 3.77Å; W361-A385 HydrophobicContact CZ3-CB 4.26Å; V381-A385 WeakPolarHBondContact O-CB 3.36Å; V381-A385 PolarHBondContact O-N 3.26Å; F382-A385 WeakPolarHBondContact O-CB 3.34Å; F382-A385 PolarHBondContact O-N 2.93Å; F382-A385 VanDerWaalsContact O-N 3.07Å; E383-A385 VanDerWaalsContact C-N 3.31Å; E383-A385 PolarHBondContact O-N 2.8Å; A385-N387 VanDerWaalsContact C-N 3.29Å; A385-N387 PolarHBondContact O-N 3.34Å; A385-A388 VanDerWaalsContact O-CB 3.29Å; A385-A388 WeakPolarHBondContact O-CB 3.2Å; A385-A388 PolarHBondContact O-N 3.01Å; A385-A388 VanDerWaalsContact O-N 3.17Å; A385-F390 HydrophobicContact CB-CZ 4.49Å; A385-F390 WeakPolarHBondContact O-CE2 3.48Å; A385-F390 WeakPolarHBondContact O-CZ 3.27Å; A385-I399 HydrophobicContact CB-CD1 3.99Å; A385-I399 HydrophobicContact CB-CG1 3.86Å
386	L	93.1	Very high	93.3	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-41.2	174.4	-69	-179.5	0	0	0	111.8	F382 E383 A388 Y396 I399 W400 Y434	F382-L386 HydrophobicContact CD1-CD1 4.42Å; F382-L386 HydrophobicContact CE1-CD1 3.59Å; F382-L386 HydrophobicContact CE1-CG 4.09Å; F382-L386 HydrophobicContact CE2-CD1 4.47Å; F382-L386 HydrophobicContact CE2-CD2 4.17Å; F382-L386 HydrophobicContact CE2-CG 4.16Å; F382-L386 HydrophobicContact CZ-CD1 3.62Å; F382-L386 HydrophobicContact CZ-CD2 3.94Å; F382-L386 HydrophobicContact CZ-CG 3.79Å; F382-L386 PolarHBondContact O-N 3.36Å; E383-L386 PolarHBondContact O-N 2.84Å; L386-A388 PolarHBondContact O-N 3.06Å; L386-Y396 HydrophobicContact CD2-CD1 4.29Å; L386-I399 HydrophobicContact CD2-CG2 3.92Å; L386-W400 HydrophobicContact CD1-CH2 4.4Å; L386-W400 HydrophobicContact CD1-CZ2 3.8Å; L386-W400 HydrophobicContact CD2-CZ2 4.44Å; L386-Y434 HydrophobicContact CD2-CE1 4.22Å
387	N	89.8	Confident	93.3	Very high	125 Å²	125	41 Å²	41	67%	0.668	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-3.2	178.7	-69.4	-66.7	0	0	0	114	E383 K384 A385 G389	E383-N387 PolarHBondContact O-N 3.03Å; E383-N387 PolarHBondContact O-ND2 3.49Å; K384-N387 PolarHBondContact O-N 2.99Å; A385-N387 VanDerWaalsContact C-N 3.29Å; A385-N387 PolarHBondContact O-N 3.34Å; N387-G389 PolarHBondContact O-N 3.44Å
388	A	86.9	Confident	93.3	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.7	-179.6	0	0	0	0	0	114.5	P355 W361 K384 A385 L386 F390	P355-A388 HydrophobicContact CB-CB 4.3Å; P355-A388 WeakPolarHBondContact O-CB 3.48Å; W361-A388 HydrophobicContact CZ2-CB 3.68Å; K384-A388 PolarHBondContact O-N 3.14Å; K384-A388 VanDerWaalsContact O-N 3.13Å; A385-A388 VanDerWaalsContact O-CB 3.29Å; A385-A388 WeakPolarHBondContact O-CB 3.2Å; A385-A388 PolarHBondContact O-N 3.01Å; A385-A388 VanDerWaalsContact O-N 3.17Å; L386-A388 PolarHBondContact O-N 3.06Å; A388-F390 HydrophobicContact CB-CE1 4.12Å; A388-F390 HydrophobicContact CB-CZ 4.2Å
389	G	85.2	Confident	93.3	Very high	33 Å²	33	42.1 Å²	42.1	34%	0.34	23%	0.225	S	C	.	.			trans	76.6	41.8	163.9	0	0	0	0	0	116.2	N387 Y396	N387-G389 PolarHBondContact O-N 3.44Å; G389-Y396 WeakPolarHBondContact CA-OH 3.42Å
390	F	90.4	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.			trans	-52.5	159.7	-177.3	-51.1	-55.2	0	0	0	114.8	P355 M358 W361 A385 A388 D395 Y396 I399 R442	P355-F390 WeakPolarHBondContact O-CE1 3.26Å; M358-F390 HydrophobicContact CB-CD1 3.98Å; M358-F390 HydrophobicContact CB-CE1 3.86Å; M358-F390 HydrophobicContact CB-CE2 4.49Å; M358-F390 HydrophobicContact CB-CG 4.37Å; M358-F390 HydrophobicContact CB-CZ 4.13Å; W361-F390 AromaticContact CD1-CE1 3.64Å; W361-F390 AromaticContact CD1-CZ 3.73Å; W361-F390 HydrophobicContact CG-CZ 4.31Å; W361-F390 AromaticContact NE1-CE1 3.92Å; A385-F390 HydrophobicContact CB-CZ 4.49Å; A385-F390 WeakPolarHBondContact O-CE2 3.48Å; A385-F390 WeakPolarHBondContact O-CZ 3.27Å; A388-F390 HydrophobicContact CB-CE1 4.12Å; A388-F390 HydrophobicContact CB-CZ 4.2Å; F390-D395 HydrophobicContact CB-CB 3.52Å; F390-D395 HydrophobicContact CD2-CB 3.97Å; F390-D395 HydrophobicContact CG-CB 3.75Å; F390-Y396 HydrophobicContact CB-CD2 4.25Å; F390-Y396 HydrophobicContact CB-CE2 3.74Å; F390-Y396 HydrophobicContact CD2-CD1 4.13Å; F390-Y396 HydrophobicContact CD2-CD2 4.29Å; F390-Y396 AromaticContact CD2-CE1 3.92Å; F390-Y396 HydrophobicContact CD2-CE1 3.92Å; F390-Y396 HydrophobicContact CD2-CE2 4.08Å; F390-Y396 HydrophobicContact CD2-CG 4.33Å; F390-Y396 AromaticContact CD2-CZ 3.89Å; F390-Y396 HydrophobicContact CG-CE2 4.4Å; F390-Y396 PolarHBondContact N-OH 3.28Å; F390-I399 HydrophobicContact CE2-CB 4.42Å; F390-I399 HydrophobicContact CE2-CG2 4.09Å; F390-R442 PolarHBondContact O-NH1 3.18Å; F390-R442 PolarHBondContact O-NH2 2.95Å; F390-R442 VanDerWaalsContact O-NH2 3.08Å
391	I	87.9	Confident	93.4	Very high	122 Å²	122	40.6 Å²	40.6	63%	0.626	21%	0.213	S	C	*	.	S	Bend	trans	-97.8	-13.2	-171.3	55.1	159.1	0	0	0	114.7	F443	I391-F443 WeakPolarHBondContact O-CE1 3.34Å
392	Q	90.1	Very high	93.4	Very high	105 Å²	105	40.7 Å²	40.7	49%	0.491	22%	0.215	S	C	.	.	S	Bend	trans	-124.2	147.9	175.9	-58	-179.8	1.8	0	0	111.3	T394 D395	Q392-T394 VanDerWaalsContact CB-OG1 3.24Å; Q392-T394 WeakPolarHBondContact CB-OG1 3.29Å; Q392-T394 PolarHBondContact O-N 3.09Å; Q392-T394 PolarHBondContact OE1-OG1 3.27Å; Q392-T394 VanDerWaalsContact OE1-OG1 3.11Å; Q392-D395 PolarHBondContact N-OD2 3.13Å; Q392-D395 WeakPolarHBondContact O-CB 3.44Å; Q392-D395 PolarHBondContact O-N 3.19Å
393	A	92.2	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-29.2	173.9	0	0	0	0	0	112.3	Y396 V397 V439 F443 E445	A393-Y396 PolarHBondContact O-N 3.5Å; A393-V397 PolarHBondContact O-N 3.22Å; A393-V439 HydrophobicContact CB-CG1 3.55Å; A393-F443 HydrophobicContact CB-CB 4.24Å; A393-F443 HydrophobicContact CB-CD2 4.05Å; A393-F443 HydrophobicContact CB-CG 4.13Å; A393-E445 HydrophobicContact CB-CG 3.96Å
394	T	94.6	Very high	93.5	Very high	59 Å²	59	38.5 Å²	38.5	36%	0.362	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-36.2	174.1	41	0	0	0	0	113.4	Q392 Y396 V397 E398	Q392-T394 VanDerWaalsContact CB-OG1 3.24Å; Q392-T394 WeakPolarHBondContact CB-OG1 3.29Å; Q392-T394 PolarHBondContact O-N 3.09Å; Q392-T394 PolarHBondContact OE1-OG1 3.27Å; Q392-T394 VanDerWaalsContact OE1-OG1 3.11Å; T394-Y396 VanDerWaalsContact C-N 3.29Å; T394-Y396 PolarHBondContact O-N 3.42Å; T394-V397 WeakPolarHBondContact O-CB 3.45Å; T394-V397 PolarHBondContact O-N 3.21Å; T394-V397 VanDerWaalsContact O-N 3.15Å; T394-E398 PolarHBondContact O-N 2.83Å
395	D	94.4	Very high	93.6	Very high	25 Å²	25	35.6 Å²	35.6	13%	0.134	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-42.7	176.6	-69.7	-49	0	0	0	111.2	M358 F390 Q392 V397 E398 I399	M358-D395 HydrophobicContact CB-CB 3.86Å; M358-D395 WeakPolarHBondContact CB-OD1 3.48Å; M358-D395 HydrophobicContact CG-CB 4.07Å; M358-D395 WeakPolarHBondContact CG-O 3.1Å; F390-D395 HydrophobicContact CB-CB 3.52Å; F390-D395 HydrophobicContact CD2-CB 3.97Å; F390-D395 HydrophobicContact CG-CB 3.75Å; Q392-D395 PolarHBondContact N-OD2 3.13Å; Q392-D395 WeakPolarHBondContact O-CB 3.44Å; Q392-D395 PolarHBondContact O-N 3.19Å; D395-V397 VanDerWaalsContact C-N 3.35Å; D395-V397 PolarHBondContact O-N 3.18Å; D395-E398 PolarHBondContact O-N 3.4Å; D395-I399 PolarHBondContact O-N 2.78Å
396	Y	94.7	Very high	93.7	Very high	10 Å²	10	36.4 Å²	36.4	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-38.2	176.7	-75.1	-79.6	0	0	0	112.2	L386 G389 F390 A393 T394 I399 W400 Y434 V439 R442 F443	L386-Y396 HydrophobicContact CD2-CD1 4.29Å; G389-Y396 WeakPolarHBondContact CA-OH 3.42Å; F390-Y396 HydrophobicContact CB-CD2 4.25Å; F390-Y396 HydrophobicContact CB-CE2 3.74Å; F390-Y396 HydrophobicContact CD2-CD1 4.13Å; F390-Y396 HydrophobicContact CD2-CD2 4.29Å; F390-Y396 AromaticContact CD2-CE1 3.92Å; F390-Y396 HydrophobicContact CD2-CE1 3.92Å; F390-Y396 HydrophobicContact CD2-CE2 4.08Å; F390-Y396 HydrophobicContact CD2-CG 4.33Å; F390-Y396 AromaticContact CD2-CZ 3.89Å; F390-Y396 HydrophobicContact CG-CE2 4.4Å; F390-Y396 PolarHBondContact N-OH 3.28Å; A393-Y396 PolarHBondContact O-N 3.5Å; T394-Y396 VanDerWaalsContact C-N 3.29Å; T394-Y396 PolarHBondContact O-N 3.42Å; Y396-I399 WeakPolarHBondContact O-CG2 3.46Å; Y396-W400 WeakPolarHBondContact O-CB 3.48Å; Y396-W400 PolarHBondContact O-N 3.07Å; Y396-W400 VanDerWaalsContact O-N 3.13Å; Y396-Y434 AromaticContact CD1-CE1 3.73Å; Y396-Y434 HydrophobicContact CD1-CE1 3.73Å; Y396-Y434 HydrophobicContact CE1-CE1 4.23Å; Y396-Y434 WeakPolarHBondContact CE1-OH 3.42Å; Y396-Y434 HydrophobicContact CG-CE1 4.47Å; Y396-V439 HydrophobicContact CD1-CG2 4.4Å; Y396-V439 HydrophobicContact CD2-CG2 4.29Å; Y396-V439 HydrophobicContact CG-CG2 3.93Å; Y396-R442 PolarHBondContact OH-NH1 2.68Å; Y396-F443 HydrophobicContact CD2-CE2 4.11Å; Y396-F443 AromaticContact CE2-CE2 3.96Å; Y396-F443 HydrophobicContact CE2-CE2 3.96Å; Y396-F443 HydrophobicContact CE2-CZ 4.26Å
397	V	95.4	Very high	93.9	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-43.2	173.8	177.8	0	0	0	0	110.9	A393 T394 D395 Q401 L435 D448 I453	A393-V397 PolarHBondContact O-N 3.22Å; T394-V397 WeakPolarHBondContact O-CB 3.45Å; T394-V397 PolarHBondContact O-N 3.21Å; T394-V397 VanDerWaalsContact O-N 3.15Å; D395-V397 VanDerWaalsContact C-N 3.35Å; D395-V397 PolarHBondContact O-N 3.18Å; V397-Q401 HydrophobicContact CG1-CG 4.46Å; V397-Q401 WeakPolarHBondContact O-CB 3.19Å; V397-Q401 VanDerWaalsContact O-CG 3.28Å; V397-Q401 WeakPolarHBondContact O-CG 3.46Å; V397-Q401 PolarHBondContact O-N 3.46Å; V397-L435 HydrophobicContact CG2-CD1 4.05Å; V397-L435 HydrophobicContact CG2-CD2 3.76Å; V397-D448 HydrophobicContact CG1-CB 4Å; V397-D448 HydrophobicContact CG2-CB 3.85Å; V397-I453 HydrophobicContact CG1-CD1 4.25Å; V397-I453 HydrophobicContact CG1-CG1 4.36Å
398	E	96.2	Very high	94.2	Very high	74 Å²	74	33.6 Å²	33.6	35%	0.346	18%	0.179	S	C	.	.	H	α-helix	trans	-68.4	-39	-179.2	-76.2	-152	-138.9	0	0	113.8	M358 K362 T394 D395 Q401 A402	M358-E398 HydrophobicContact CE-CB 3.58Å; M358-E398 VanDerWaalsContact CE-CD 3.48Å; M358-E398 HydrophobicContact CE-CG 4Å; M358-E398 WeakPolarHBondContact CE-OE2 3.49Å; M358-E398 HydrophobicContact CG-CB 4.42Å; M358-E398 HydrophobicContact SD-CB 3.64Å; K362-E398 IonicContact NZ-OE2 3.15Å; K362-E398 PolarHBondContact NZ-OE2 3.3Å; T394-E398 PolarHBondContact O-N 2.83Å; D395-E398 PolarHBondContact O-N 3.4Å; E398-Q401 PolarHBondContact O-N 3.21Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.92Å
399	I	96.9	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-37.8	176.5	-162.2	66.5	0	0	0	111.5	M358 W361 L365 F382 A385 L386 F390 D395 Y396 A402 N403	M358-I399 HydrophobicContact CG-CB 4.31Å; W361-I399 HydrophobicContact CB-CD1 3.82Å; L365-I399 HydrophobicContact CD1-CD1 3.66Å; L365-I399 HydrophobicContact CD1-CG1 4.46Å; F382-I399 HydrophobicContact CD2-CG1 4.23Å; F382-I399 HydrophobicContact CE2-CG1 4.24Å; A385-I399 HydrophobicContact CB-CD1 3.99Å; A385-I399 HydrophobicContact CB-CG1 3.86Å; L386-I399 HydrophobicContact CD2-CG2 3.92Å; F390-I399 HydrophobicContact CE2-CB 4.42Å; F390-I399 HydrophobicContact CE2-CG2 4.09Å; D395-I399 PolarHBondContact O-N 2.78Å; Y396-I399 WeakPolarHBondContact O-CG2 3.46Å; I399-A402 PolarHBondContact O-N 3.19Å; I399-N403 PolarHBondContact O-N 2.72Å; I399-N403 VanDerWaalsContact O-N 3.12Å
400	W	97.1	Very high	95.1	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-46.4	171.4	-88.3	113.7	0	0	0	111.4	F382 L386 Y396 A402 N403 L404 R430 S431 Y434 I453	F382-W400 HydrophobicContact CE1-CE3 4.3Å; F382-W400 AromaticContact CE1-CH2 3.89Å; F382-W400 HydrophobicContact CE1-CH2 3.89Å; F382-W400 HydrophobicContact CE1-CZ2 4.36Å; F382-W400 AromaticContact CE1-CZ3 3.87Å; F382-W400 HydrophobicContact CE1-CZ3 3.87Å; F382-W400 HydrophobicContact CE2-CD2 4.4Å; F382-W400 HydrophobicContact CE2-CE3 4.3Å; F382-W400 AromaticContact CZ-CD2 3.73Å; F382-W400 HydrophobicContact CZ-CD2 3.73Å; F382-W400 AromaticContact CZ-CE2 3.93Å; F382-W400 AromaticContact CZ-CE3 3.51Å; F382-W400 HydrophobicContact CZ-CE3 3.51Å; F382-W400 AromaticContact CZ-CH2 3.76Å; F382-W400 HydrophobicContact CZ-CH2 3.76Å; F382-W400 AromaticContact CZ-CZ2 3.96Å; F382-W400 HydrophobicContact CZ-CZ2 3.96Å; F382-W400 AromaticContact CZ-CZ3 3.54Å; F382-W400 HydrophobicContact CZ-CZ3 3.54Å; L386-W400 HydrophobicContact CD1-CH2 4.4Å; L386-W400 HydrophobicContact CD1-CZ2 3.8Å; L386-W400 HydrophobicContact CD2-CZ2 4.44Å; Y396-W400 WeakPolarHBondContact O-CB 3.48Å; Y396-W400 PolarHBondContact O-N 3.07Å; Y396-W400 VanDerWaalsContact O-N 3.13Å; W400-A402 VanDerWaalsContact C-N 3.32Å; W400-A402 PolarHBondContact O-N 3.34Å; W400-N403 PolarHBondContact O-N 3.02Å; W400-L404 WeakPolarHBondContact O-CB 3.04Å; W400-L404 WeakPolarHBondContact O-CD1 3.44Å; W400-L404 WeakPolarHBondContact O-CG 3.32Å; W400-L404 PolarHBondContact O-N 3.31Å; W400-R430 HydrophobicContact CH2-CB 4.35Å; W400-R430 HydrophobicContact CH2-CG 3.8Å; W400-R430 HydrophobicContact CZ2-CG 4.36Å; W400-S431 VanDerWaalsContact CD2-CB 3.43Å; W400-Y434 AromaticContact CD1-CD1 3.98Å; W400-Y434 AromaticContact CE2-CD1 3.99Å; W400-Y434 HydrophobicContact CZ2-CD1 4.33Å; W400-Y434 HydrophobicContact CZ2-CD2 4.42Å; W400-Y434 AromaticContact CZ2-CG 4Å; W400-Y434 HydrophobicContact CZ2-CG 4Å; W400-Y434 AromaticContact NE1-CD1 3.08Å; W400-Y434 AromaticContact NE1-CE1 3.61Å; W400-Y434 AromaticContact NE1-CG 3.63Å; W400-I453 HydrophobicContact CB-CD1 4.07Å
401	Q	96.6	Very high	95.4	Very high	59 Å²	59	39.7 Å²	39.7	28%	0.276	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-43.2	174.6	-76.4	178.9	17	0	0	112	V397 E398 N403 L404 D405 I453	V397-Q401 HydrophobicContact CG1-CG 4.46Å; V397-Q401 WeakPolarHBondContact O-CB 3.19Å; V397-Q401 VanDerWaalsContact O-CG 3.28Å; V397-Q401 WeakPolarHBondContact O-CG 3.46Å; V397-Q401 PolarHBondContact O-N 3.46Å; E398-Q401 PolarHBondContact O-N 3.21Å; Q401-N403 PolarHBondContact O-N 3.46Å; Q401-L404 PolarHBondContact O-N 2.8Å; Q401-D405 VanDerWaalsContact O-CB 3.29Å; Q401-D405 WeakPolarHBondContact O-CB 3.45Å; Q401-D405 PolarHBondContact O-N 2.92Å; Q401-I453 HydrophobicContact CG-CD1 4.29Å; Q401-I453 HydrophobicContact CG-CG1 3.84Å
402	A	97.2	Very high	95.6	Very high	14 Å²	14	36.8 Å²	36.8	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-43.1	179.1	0	0	0	0	0	112.8	K362 E398 I399 W400 Y406	K362-A402 HydrophobicContact CG-CB 4.05Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.92Å; I399-A402 PolarHBondContact O-N 3.19Å; W400-A402 VanDerWaalsContact C-N 3.32Å; W400-A402 PolarHBondContact O-N 3.34Å; A402-Y406 PolarHBondContact O-N 2.74Å; A402-Y406 VanDerWaalsContact O-N 3.16Å
403	N	97.6	Very high	95.7	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.064	16%	0.162	C	C	.	.	H	α-helix	trans	-69.7	-45.2	176.3	-176	20.7	0	0	0	112.3	F382 I399 W400 Q401 D405 Y406 L407	F382-N403 WeakPolarHBondContact CD1-ND2 3.49Å; F382-N403 HydrophobicContact CD2-CB 3.46Å; F382-N403 VanDerWaalsContact CD2-CB 3.46Å; F382-N403 WeakPolarHBondContact CE1-ND2 3.15Å; F382-N403 HydrophobicContact CE2-CB 3.53Å; F382-N403 HydrophobicContact CG-CB 4.01Å; F382-N403 VanDerWaalsContact CG-ND2 3.31Å; F382-N403 WeakPolarHBondContact CG-ND2 3.47Å; F382-N403 HydrophobicContact CZ-CB 4.14Å; F382-N403 WeakPolarHBondContact CZ-ND2 3.33Å; I399-N403 PolarHBondContact O-N 2.72Å; I399-N403 VanDerWaalsContact O-N 3.12Å; W400-N403 PolarHBondContact O-N 3.02Å; Q401-N403 PolarHBondContact O-N 3.46Å; N403-D405 PolarHBondContact O-N 2.88Å; N403-Y406 WeakPolarHBondContact O-CB 3.32Å; N403-Y406 PolarHBondContact O-N 2.78Å; N403-Y406 VanDerWaalsContact O-N 3.13Å; N403-L407 WeakPolarHBondContact O-CG 3.44Å; N403-L407 PolarHBondContact O-N 3.36Å
404	L	97.6	Very high	95.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-37.2	177.1	-69.4	164.7	0	0	0	111.9	W400 Q401 R408 L424 A427 F428 I453	W400-L404 WeakPolarHBondContact O-CB 3.04Å; W400-L404 WeakPolarHBondContact O-CD1 3.44Å; W400-L404 WeakPolarHBondContact O-CG 3.32Å; W400-L404 PolarHBondContact O-N 3.31Å; Q401-L404 PolarHBondContact O-N 2.8Å; L404-R408 VanDerWaalsContact O-CB 3.24Å; L404-R408 WeakPolarHBondContact O-CB 3.37Å; L404-R408 PolarHBondContact O-N 2.97Å; L404-L424 HydrophobicContact CD2-CD1 4.45Å; L404-L424 WeakPolarHBondContact O-CD1 3.2Å; L404-A427 HydrophobicContact CD2-CB 3.8Å; L404-F428 HydrophobicContact CB-CE1 4.25Å; L404-F428 HydrophobicContact CB-CZ 4.34Å; L404-F428 HydrophobicContact CD1-CD1 3.81Å; L404-F428 HydrophobicContact CD1-CE1 3.77Å; L404-F428 HydrophobicContact CD2-CB 4.37Å; L404-F428 HydrophobicContact CD2-CD1 3.75Å; L404-F428 HydrophobicContact CD2-CD2 4.22Å; L404-F428 HydrophobicContact CD2-CE1 4.02Å; L404-F428 HydrophobicContact CD2-CE2 4.46Å; L404-F428 HydrophobicContact CD2-CG 3.84Å; L404-F428 HydrophobicContact CD2-CZ 4.34Å; L404-F428 HydrophobicContact CG-CD1 4.32Å; L404-F428 HydrophobicContact CG-CE1 4.24Å; L404-I453 HydrophobicContact CD1-CD1 4.34Å; L404-I453 HydrophobicContact CD1-CG2 3.89Å
405	D	96.9	Very high	95.3	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	20%	0.202	S	C	.	.	H	α-helix	trans	-74.7	-31.7	178.7	-155.5	27.1	0	0	0	112.5	Q401 N403 R408 R409	Q401-D405 VanDerWaalsContact O-CB 3.29Å; Q401-D405 WeakPolarHBondContact O-CB 3.45Å; Q401-D405 PolarHBondContact O-N 2.92Å; N403-D405 PolarHBondContact O-N 2.88Å; D405-R408 IonicContact OD1-CZ 2.85Å; D405-R408 IonicContact OD1-NE 3.69Å; D405-R408 PolarHBondContact OD1-NE 3.48Å; D405-R408 IonicContact OD1-NH2 3.66Å; D405-R408 PolarHBondContact OD1-NH2 3.12Å; D405-R408 VanDerWaalsContact OD1-NH2 3.14Å; D405-R409 WeakPolarHBondContact O-CG 3.41Å; D405-R409 PolarHBondContact O-N 2.8Å; D405-R409 VanDerWaalsContact O-N 3.1Å; D405-R409 PolarHBondContact O-NH1 2.83Å; D405-R409 IonicContact OD1-NH1 2.71Å; D405-R409 PolarHBondContact OD1-NH1 3.43Å; D405-R409 IonicContact OD2-CZ 3.72Å; D405-R409 IonicContact OD2-NH1 2.74Å; D405-R409 PolarHBondContact OD2-NH1 3.1Å
406	Y	97.5	Very high	94.4	Very high	18 Å²	18	50 Å²	50	7%	0.071	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-50.2	167.4	156.8	-106.7	0	0	0	111.8	E369 H375 V378 A402 N403 R408 R409 R410	E369-Y406 HydrophobicContact CB-CD2 4.15Å; E369-Y406 HydrophobicContact CG-CD2 3.92Å; E369-Y406 HydrophobicContact CG-CE2 4.38Å; H375-Y406 AromaticContact ND1-CE1 3.81Å; H375-Y406 AromaticContact ND1-CZ 3.91Å; H375-Y406 PolarHBondContact ND1-OH 3.4Å; H375-Y406 VanDerWaalsContact ND1-OH 3.15Å; V378-Y406 HydrophobicContact CB-CE1 3.99Å; V378-Y406 HydrophobicContact CB-CE2 4.46Å; V378-Y406 HydrophobicContact CG1-CD1 3.82Å; V378-Y406 HydrophobicContact CG1-CD2 4.39Å; V378-Y406 HydrophobicContact CG1-CE1 3.44Å; V378-Y406 VanDerWaalsContact CG1-CE1 3.44Å; V378-Y406 HydrophobicContact CG1-CE2 4.05Å; V378-Y406 HydrophobicContact CG1-CG 4.27Å; V378-Y406 HydrophobicContact CG2-CE2 4.3Å; A402-Y406 PolarHBondContact O-N 2.74Å; A402-Y406 VanDerWaalsContact O-N 3.16Å; N403-Y406 WeakPolarHBondContact O-CB 3.32Å; N403-Y406 PolarHBondContact O-N 2.78Å; N403-Y406 VanDerWaalsContact O-N 3.13Å; Y406-R408 VanDerWaalsContact C-N 3.28Å; Y406-R408 PolarHBondContact O-N 2.72Å; Y406-R409 WeakPolarHBondContact O-CA 3.31Å; Y406-R409 WeakPolarHBondContact O-CB 3.41Å; Y406-R409 PolarHBondContact O-N 2.88Å; Y406-R410 HydrophobicContact CE2-CG 4.29Å; Y406-R410 PolarHBondContact O-N 2.73Å; Y406-R410 VanDerWaalsContact O-N 3.16Å
407	L	96.8	Very high	93.9	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-42.9	176.1	-68.5	176.1	0	0	0	110.8	N403 R409 R410 V411 L424 A427	N403-L407 WeakPolarHBondContact O-CG 3.44Å; N403-L407 PolarHBondContact O-N 3.36Å; L407-R409 VanDerWaalsContact C-N 3.28Å; L407-R409 PolarHBondContact O-N 2.7Å; L407-R410 VanDerWaalsContact CD2-NH1 3.3Å; L407-R410 WeakPolarHBondContact O-CB 3.12Å; L407-R410 PolarHBondContact O-N 3.2Å; L407-V411 PolarHBondContact O-N 2.77Å; L407-L424 HydrophobicContact CB-CD1 3.8Å; L407-A427 HydrophobicContact CD1-CB 3.38Å
408	R	96.6	Very high	93.7	Very high	62 Å²	62	54.1 Å²	54.1	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-33.2	174.2	-170.2	-159.7	63.4	69.4	2	112.9	L404 D405 Y406 R410 V411 F413 L424 I460	L404-R408 VanDerWaalsContact O-CB 3.24Å; L404-R408 WeakPolarHBondContact O-CB 3.37Å; L404-R408 PolarHBondContact O-N 2.97Å; D405-R408 IonicContact OD1-CZ 2.85Å; D405-R408 IonicContact OD1-NE 3.69Å; D405-R408 PolarHBondContact OD1-NE 3.48Å; D405-R408 IonicContact OD1-NH2 3.66Å; D405-R408 PolarHBondContact OD1-NH2 3.12Å; D405-R408 VanDerWaalsContact OD1-NH2 3.14Å; Y406-R408 VanDerWaalsContact C-N 3.28Å; Y406-R408 PolarHBondContact O-N 2.72Å; R408-R410 VanDerWaalsContact C-N 3.31Å; R408-V411 PolarHBondContact O-N 2.8Å; R408-F413 HydrophobicContact CG-CE2 4.11Å; R408-F413 HydrophobicContact CG-CZ 3.88Å; R408-F413 WeakPolarHBondContact O-CE2 3.42Å; R408-L424 HydrophobicContact CB-CD1 4.19Å; R408-L424 HydrophobicContact CB-CD2 4.07Å; R408-L424 HydrophobicContact CG-CD2 4.21Å; R408-I460 VanDerWaalsContact CD-CD1 3.5Å; R408-I460 HydrophobicContact CG-CD1 3.93Å; R408-I460 HydrophobicContact CG-CG1 4.37Å
409	R	96.5	Very high	93.5	Very high	104 Å²	104	57.7 Å²	57.7	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-74.8	-15.8	174.4	-75.1	-175.2	-66.8	-92.6	0.4	113.8	E369 D405 Y406 L407	E369-R409 VanDerWaalsContact CD-NE 3.3Å; E369-R409 WeakPolarHBondContact OE1-CB 3.43Å; E369-R409 WeakPolarHBondContact OE1-CD 3.34Å; E369-R409 IonicContact OE1-CZ 3.07Å; E369-R409 IonicContact OE1-NE 3.59Å; E369-R409 PolarHBondContact OE1-NE 3.07Å; E369-R409 IonicContact OE1-NH2 3.78Å; E369-R409 IonicContact OE2-CZ 3.27Å; E369-R409 IonicContact OE2-NE 3.8Å; E369-R409 PolarHBondContact OE2-NE 3.14Å; E369-R409 VanDerWaalsContact OE2-NE 3.14Å; E369-R409 IonicContact OE2-NH2 3.63Å; E369-R409 PolarHBondContact OE2-NH2 3.11Å; D405-R409 WeakPolarHBondContact O-CG 3.41Å; D405-R409 PolarHBondContact O-N 2.8Å; D405-R409 VanDerWaalsContact O-N 3.1Å; D405-R409 PolarHBondContact O-NH1 2.83Å; D405-R409 IonicContact OD1-NH1 2.71Å; D405-R409 PolarHBondContact OD1-NH1 3.43Å; D405-R409 IonicContact OD2-CZ 3.72Å; D405-R409 IonicContact OD2-NH1 2.74Å; D405-R409 PolarHBondContact OD2-NH1 3.1Å; Y406-R409 WeakPolarHBondContact O-CA 3.31Å; Y406-R409 WeakPolarHBondContact O-CB 3.41Å; Y406-R409 PolarHBondContact O-N 2.88Å; L407-R409 VanDerWaalsContact C-N 3.28Å; L407-R409 PolarHBondContact O-N 2.7Å
410	R	94.9	Very high	93.4	Very high	67 Å²	67	60.6 Å²	60.6	25%	0.253	30%	0.299	S	S	.	.	H	α-helix	trans	-79.5	-20.6	169	-65.9	172.8	56.2	-125.3	-6.1	114	H375 Y406 L407 R408 E423	H375-R410 PolarHBondContact CE1-NH1 3.47Å; H375-R410 VanDerWaalsContact CE1-NH1 3.32Å; H375-R410 PolarHBondContact NE2-NH1 3.2Å; Y406-R410 HydrophobicContact CE2-CG 4.29Å; Y406-R410 PolarHBondContact O-N 2.73Å; Y406-R410 VanDerWaalsContact O-N 3.16Å; L407-R410 VanDerWaalsContact CD2-NH1 3.3Å; L407-R410 WeakPolarHBondContact O-CB 3.12Å; L407-R410 PolarHBondContact O-N 3.2Å; R408-R410 VanDerWaalsContact C-N 3.31Å; R410-E423 IonicContact CZ-OE2 3.06Å; R410-E423 IonicContact NH1-OE2 2.66Å; R410-E423 PolarHBondContact NH1-OE2 3.07Å; R410-E423 IonicContact NH2-OE2 2.83Å; R410-E423 PolarHBondContact NH2-OE2 3.06Å
411	V	95.6	Very high	93.3	Very high	14 Å²	14	60.9 Å²	60.9	9%	0.085	30%	0.3	C	S	.	.			trans	-80	125.1	-172.7	-177.6	0	0	0	0	112.4	L407 R408 F413 E420 L421 L424	L407-V411 PolarHBondContact O-N 2.77Å; R408-V411 PolarHBondContact O-N 2.8Å; V411-F413 HydrophobicContact CB-CD1 4.48Å; V411-F413 HydrophobicContact CB-CD2 4.21Å; V411-F413 HydrophobicContact CB-CE1 4.08Å; V411-F413 HydrophobicContact CB-CE2 3.75Å; V411-F413 HydrophobicContact CB-CZ 3.68Å; V411-F413 HydrophobicContact CG1-CD1 3.69Å; V411-F413 HydrophobicContact CG1-CD2 4.12Å; V411-F413 HydrophobicContact CG1-CE1 3.59Å; V411-F413 HydrophobicContact CG1-CE2 4.01Å; V411-F413 HydrophobicContact CG1-CG 3.98Å; V411-F413 HydrophobicContact CG1-CZ 3.75Å; V411-F413 HydrophobicContact CG2-CZ 4.33Å; V411-F413 WeakPolarHBondContact O-CD2 3.47Å; V411-F413 PolarHBondContact O-N 3.36Å; V411-E420 HydrophobicContact CG2-CB 4.07Å; V411-E420 WeakPolarHBondContact CG2-O 3.39Å; V411-L421 HydrophobicContact CG1-CB 3.92Å; V411-L421 HydrophobicContact CG1-CD1 4.27Å; V411-L424 HydrophobicContact CG2-CB 4.25Å; V411-L424 HydrophobicContact CG2-CD2 4Å
412	D	92.8	Very high	93.2	Very high	61 Å²	61	62.5 Å²	62.5	33%	0.326	31%	0.308	S	S	.	.			trans	-84.7	87.6	167.6	178.5	6.9	0	0	0	110.9	S414 K415	D412-S414 VanDerWaalsContact CG-OG 3.3Å; D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact OD1-CB 3.27Å; D412-S414 WeakPolarHBondContact OD1-CB 3.34Å; D412-S414 PolarHBondContact OD1-N 3.41Å; D412-S414 PolarHBondContact OD1-OG 3.08Å; D412-S414 PolarHBondContact OD2-OG 3.46Å; D412-K415 HydrophobicContact CB-CD 4.47Å; D412-K415 PolarHBondContact O-N 3.05Å; D412-K415 VanDerWaalsContact O-N 3.16Å; D412-K415 VanDerWaalsContact OD2-CE 3.31Å; D412-K415 WeakPolarHBondContact OD2-CE 3.43Å; D412-K415 IonicContact OD2-NZ 3.45Å; D412-K415 PolarHBondContact OD2-NZ 3.28Å
413	F	92.5	Very high	93.2	Very high	52 Å²	52	63.9 Å²	63.9	23%	0.228	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	5.2	178.2	-62.1	-76.3	0	0	0	115	R408 V411 K415 L421 L424 I460 H464	R408-F413 HydrophobicContact CG-CE2 4.11Å; R408-F413 HydrophobicContact CG-CZ 3.88Å; R408-F413 WeakPolarHBondContact O-CE2 3.42Å; V411-F413 HydrophobicContact CB-CD1 4.48Å; V411-F413 HydrophobicContact CB-CD2 4.21Å; V411-F413 HydrophobicContact CB-CE1 4.08Å; V411-F413 HydrophobicContact CB-CE2 3.75Å; V411-F413 HydrophobicContact CB-CZ 3.68Å; V411-F413 HydrophobicContact CG1-CD1 3.69Å; V411-F413 HydrophobicContact CG1-CD2 4.12Å; V411-F413 HydrophobicContact CG1-CE1 3.59Å; V411-F413 HydrophobicContact CG1-CE2 4.01Å; V411-F413 HydrophobicContact CG1-CG 3.98Å; V411-F413 HydrophobicContact CG1-CZ 3.75Å; V411-F413 HydrophobicContact CG2-CZ 4.33Å; V411-F413 WeakPolarHBondContact O-CD2 3.47Å; V411-F413 PolarHBondContact O-N 3.36Å; F413-K415 VanDerWaalsContact C-N 3.29Å; F413-L421 HydrophobicContact CE1-CD1 4.12Å; F413-L424 HydrophobicContact CZ-CD2 4.36Å; F413-I460 HydrophobicContact CE1-CG2 3.93Å; F413-I460 HydrophobicContact CZ-CG2 4.07Å; F413-H464 HydrophobicContact CB-CB 4.08Å; F413-H464 HydrophobicContact CD1-CB 3.4Å; F413-H464 HydrophobicContact CD2-CB 4.41Å; F413-H464 HydrophobicContact CE1-CB 3.82Å; F413-H464 HydrophobicContact CG-CB 3.72Å; F413-H464 AromaticContact CG-CG 3.97Å; F413-H464 HydrophobicContact CZ-CB 4.5Å
414	S	89.4	Confident	93.1	Very high	102 Å²	102	63.4 Å²	63.4	71%	0.713	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.7	167.4	74.2	0	0	0	0	113	D412	D412-S414 VanDerWaalsContact CG-OG 3.3Å; D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact OD1-CB 3.27Å; D412-S414 WeakPolarHBondContact OD1-CB 3.34Å; D412-S414 PolarHBondContact OD1-N 3.41Å; D412-S414 PolarHBondContact OD1-OG 3.08Å; D412-S414 PolarHBondContact OD2-OG 3.46Å
415	K	87.5	Confident	93	Very high	112 Å²	112	65.5 Å²	65.5	49%	0.487	32%	0.317	S	S	.	.	S	Bend	trans	-95.7	138	178.7	-61.3	172	177.7	120.8	0	110.7	D412 F413 S417	D412-K415 HydrophobicContact CB-CD 4.47Å; D412-K415 PolarHBondContact O-N 3.05Å; D412-K415 VanDerWaalsContact O-N 3.16Å; D412-K415 VanDerWaalsContact OD2-CE 3.31Å; D412-K415 WeakPolarHBondContact OD2-CE 3.43Å; D412-K415 IonicContact OD2-NZ 3.45Å; D412-K415 PolarHBondContact OD2-NZ 3.28Å; F413-K415 VanDerWaalsContact C-N 3.29Å; K415-S417 WeakPolarHBondContact CB-O 3.49Å; K415-S417 PolarHBondContact O-N 3.12Å
416	E	76.1	Confident	93	Very high	201 Å²	201	65.2 Å²	65.2	94%	0.939	32%	0.324	S	S	*	.	S	Bend	trans	-67.5	-25.8	177.6	-61.4	-174.3	153.1	0	0	112.8
417	S	83.5	Confident	93	Very high	89 Å²	89	65 Å²	65	62%	0.622	33%	0.325	S	S	*	.			trans	-144.5	148	168.3	61.2	0	0	0	0	111	K415	K415-S417 WeakPolarHBondContact CB-O 3.49Å; K415-S417 PolarHBondContact O-N 3.12Å
418	S	91.4	Very high	93.1	Very high	15 Å²	15	64.6 Å²	64.6	11%	0.105	32%	0.323	C	S	.	.			trans	-151.7	153.1	177.3	117.2	0	0	0	0	108.8	E420 L421 E422	S418-E420 VanDerWaalsContact CB-OE2 3.29Å; S418-E420 WeakPolarHBondContact CB-OE2 3.41Å; S418-E420 PolarHBondContact O-N 2.73Å; S418-E420 PolarHBondContact OG-N 2.79Å; S418-E420 PolarHBondContact OG-OE2 2.9Å; S418-L421 PolarHBondContact O-N 3.42Å; S418-L421 PolarHBondContact OG-N 2.86Å; S418-L421 VanDerWaalsContact OG-N 3.08Å; S418-E422 PolarHBondContact O-N 3.15Å
419	K	93.5	Very high	93.1	Very high	148 Å²	148	64 Å²	64	64%	0.643	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-39.4	177.6	-177.1	177.8	179.8	-83.8	0	110.4	L421 E422 E423	K419-L421 VanDerWaalsContact C-N 3.32Å; K419-L421 PolarHBondContact O-N 3.1Å; K419-E422 PolarHBondContact O-N 3.04Å; K419-E423 IonicContact NZ-OE1 3.38Å; K419-E423 PolarHBondContact NZ-OE1 3.35Å; K419-E423 WeakPolarHBondContact O-CG 3.41Å; K419-E423 PolarHBondContact O-N 2.79Å
420	E	94.6	Very high	93.1	Very high	62 Å²	62	64.3 Å²	64.3	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-33.5	178.8	-51.8	73.3	-160.4	0	0	111.8	V411 S418 L424	V411-E420 HydrophobicContact CG2-CB 4.07Å; V411-E420 WeakPolarHBondContact CG2-O 3.39Å; S418-E420 VanDerWaalsContact CB-OE2 3.29Å; S418-E420 WeakPolarHBondContact CB-OE2 3.41Å; S418-E420 PolarHBondContact O-N 2.73Å; S418-E420 PolarHBondContact OG-N 2.79Å; S418-E420 PolarHBondContact OG-OE2 2.9Å; E420-L424 WeakPolarHBondContact O-CB 3.49Å; E420-L424 PolarHBondContact O-N 3.36Å
421	L	94.4	Very high	93.2	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-39.7	174	178.7	58.6	0	0	0	112	V411 F413 S418 K419 L424 R425	V411-L421 HydrophobicContact CG1-CB 3.92Å; V411-L421 HydrophobicContact CG1-CD1 4.27Å; F413-L421 HydrophobicContact CE1-CD1 4.12Å; S418-L421 PolarHBondContact O-N 3.42Å; S418-L421 PolarHBondContact OG-N 2.86Å; S418-L421 VanDerWaalsContact OG-N 3.08Å; K419-L421 VanDerWaalsContact C-N 3.32Å; K419-L421 PolarHBondContact O-N 3.1Å; L421-L424 PolarHBondContact O-N 3.38Å; L421-R425 WeakPolarHBondContact O-CG 3.4Å; L421-R425 PolarHBondContact O-N 3.2Å
422	E	95	Very high	93.1	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-73.5	-34.4	175.2	-60.2	-49.4	130.1	0	0	112	S418 K419 L424 R425 A426	S418-E422 PolarHBondContact O-N 3.15Å; K419-E422 PolarHBondContact O-N 3.04Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 2.92Å; E422-R425 PolarHBondContact O-N 3.37Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.77Å; E422-R425 PolarHBondContact OE1-NH1 2.69Å; E422-R425 WeakPolarHBondContact OE2-CD 3.4Å; E422-A426 VanDerWaalsContact O-CB 3.32Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 3.32Å
423	E	95.8	Very high	93.2	Very high	43 Å²	43	63.6 Å²	63.6	20%	0.201	33%	0.33	C	S	.	.	H	α-helix	trans	-56.9	-45	166.9	-75	167.8	-168.5	0	0	111.4	H375 R410 K419 A426 A427	H375-E423 IonicContact NE2-OE2 3.43Å; R410-E423 IonicContact CZ-OE2 3.06Å; R410-E423 IonicContact NH1-OE2 2.66Å; R410-E423 PolarHBondContact NH1-OE2 3.07Å; R410-E423 IonicContact NH2-OE2 2.83Å; R410-E423 PolarHBondContact NH2-OE2 3.06Å; K419-E423 IonicContact NZ-OE1 3.38Å; K419-E423 PolarHBondContact NZ-OE1 3.35Å; K419-E423 WeakPolarHBondContact O-CG 3.41Å; K419-E423 PolarHBondContact O-N 2.79Å; E423-A426 PolarHBondContact O-N 3.2Å; E423-A427 WeakPolarHBondContact O-CB 3.24Å; E423-A427 PolarHBondContact O-N 3.24Å
424	L	96.6	Very high	93.3	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-43.7	176.3	178.1	64.8	0	0	0	112.1	L404 L407 R408 V411 F413 E420 L421 E422 A427 F428 I460	L404-L424 HydrophobicContact CD2-CD1 4.45Å; L404-L424 WeakPolarHBondContact O-CD1 3.2Å; L407-L424 HydrophobicContact CB-CD1 3.8Å; R408-L424 HydrophobicContact CB-CD1 4.19Å; R408-L424 HydrophobicContact CB-CD2 4.07Å; R408-L424 HydrophobicContact CG-CD2 4.21Å; V411-L424 HydrophobicContact CG2-CB 4.25Å; V411-L424 HydrophobicContact CG2-CD2 4Å; F413-L424 HydrophobicContact CZ-CD2 4.36Å; E420-L424 WeakPolarHBondContact O-CB 3.49Å; E420-L424 PolarHBondContact O-N 3.36Å; L421-L424 PolarHBondContact O-N 3.38Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 2.92Å; L424-A427 PolarHBondContact O-N 3.43Å; L424-F428 HydrophobicContact CD1-CD2 3.93Å; L424-F428 HydrophobicContact CD1-CE2 3.55Å; L424-F428 HydrophobicContact CD1-CZ 4.36Å; L424-F428 HydrophobicContact CD2-CE2 4.18Å; L424-F428 HydrophobicContact CG-CD2 3.89Å; L424-F428 HydrophobicContact CG-CE2 3.7Å; L424-F428 VanDerWaalsContact O-CD2 3.27Å; L424-F428 WeakPolarHBondContact O-CD2 3.48Å; L424-F428 PolarHBondContact O-N 3.44Å; L424-I460 HydrophobicContact CD2-CG2 4.45Å
425	R	95.8	Very high	93.5	Very high	50 Å²	50	58.2 Å²	58.2	19%	0.189	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-39.7	177	-75.3	168.8	165.4	159	-1.2	112.4	L421 E422 S429 E461	L421-R425 WeakPolarHBondContact O-CG 3.4Å; L421-R425 PolarHBondContact O-N 3.2Å; E422-R425 PolarHBondContact O-N 3.37Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.77Å; E422-R425 PolarHBondContact OE1-NH1 2.69Å; E422-R425 WeakPolarHBondContact OE2-CD 3.4Å; R425-S429 PolarHBondContact O-N 2.68Å; R425-S429 PolarHBondContact O-OG 2.91Å; R425-E461 IonicContact CZ-OE1 3.63Å; R425-E461 IonicContact CZ-OE2 3.54Å; R425-E461 IonicContact NE-OE1 2.81Å; R425-E461 PolarHBondContact NE-OE1 3.39Å; R425-E461 IonicContact NE-OE2 2.72Å; R425-E461 IonicContact NH2-OE1 2.96Å; R425-E461 PolarHBondContact NH2-OE1 3.33Å; R425-E461 IonicContact NH2-OE2 2.77Å; R425-E461 PolarHBondContact NH2-OE2 2.86Å
426	A	97.1	Very high	93.7	Very high	59 Å²	59	59.3 Å²	59.3	49%	0.488	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-42.9	173.4	0	0	0	0	0	111.5	E422 E423 S429 R430	E422-A426 VanDerWaalsContact O-CB 3.32Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 3.32Å; E423-A426 PolarHBondContact O-N 3.2Å; A426-S429 PolarHBondContact O-N 3.48Å; A426-R430 WeakPolarHBondContact O-CB 3.43Å; A426-R430 PolarHBondContact O-N 2.7Å
427	A	97.4	Very high	94.4	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-40.5	176.2	0	0	0	0	0	112.8	L404 L407 E423 L424 S429 R430 S431	L404-A427 HydrophobicContact CD2-CB 3.8Å; L407-A427 HydrophobicContact CD1-CB 3.38Å; E423-A427 WeakPolarHBondContact O-CB 3.24Å; E423-A427 PolarHBondContact O-N 3.24Å; L424-A427 PolarHBondContact O-N 3.43Å; A427-S429 VanDerWaalsContact C-N 3.31Å; A427-S429 PolarHBondContact O-N 3.23Å; A427-R430 PolarHBondContact O-N 2.72Å; A427-S431 WeakPolarHBondContact O-CB 3.29Å; A427-S431 PolarHBondContact O-N 2.88Å; A427-S431 PolarHBondContact O-OG 2.59Å
428	F	97.9	Very high	94.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-38.9	171.8	-87.6	-62.1	0	0	0	112.3	L404 L424 S431 L432 I453 I456 W457 I460	L404-F428 HydrophobicContact CB-CE1 4.25Å; L404-F428 HydrophobicContact CB-CZ 4.34Å; L404-F428 HydrophobicContact CD1-CD1 3.81Å; L404-F428 HydrophobicContact CD1-CE1 3.77Å; L404-F428 HydrophobicContact CD2-CB 4.37Å; L404-F428 HydrophobicContact CD2-CD1 3.75Å; L404-F428 HydrophobicContact CD2-CD2 4.22Å; L404-F428 HydrophobicContact CD2-CE1 4.02Å; L404-F428 HydrophobicContact CD2-CE2 4.46Å; L404-F428 HydrophobicContact CD2-CG 3.84Å; L404-F428 HydrophobicContact CD2-CZ 4.34Å; L404-F428 HydrophobicContact CG-CD1 4.32Å; L404-F428 HydrophobicContact CG-CE1 4.24Å; L424-F428 HydrophobicContact CD1-CD2 3.93Å; L424-F428 HydrophobicContact CD1-CE2 3.55Å; L424-F428 HydrophobicContact CD1-CZ 4.36Å; L424-F428 HydrophobicContact CD2-CE2 4.18Å; L424-F428 HydrophobicContact CG-CD2 3.89Å; L424-F428 HydrophobicContact CG-CE2 3.7Å; L424-F428 VanDerWaalsContact O-CD2 3.27Å; L424-F428 WeakPolarHBondContact O-CD2 3.48Å; L424-F428 PolarHBondContact O-N 3.44Å; F428-S431 PolarHBondContact O-OG 3.07Å; F428-L432 WeakPolarHBondContact O-CG 3.46Å; F428-L432 PolarHBondContact O-N 2.77Å; F428-I453 HydrophobicContact CD1-CG2 3.85Å; F428-I453 HydrophobicContact CE1-CG2 4.09Å; F428-I456 HydrophobicContact CE1-CG2 4.43Å; F428-I456 HydrophobicContact CZ-CG2 4.14Å; F428-W457 HydrophobicContact CB-CD2 3.61Å; F428-W457 HydrophobicContact CB-CE3 3.64Å; F428-W457 HydrophobicContact CB-CG 4.13Å; F428-W457 HydrophobicContact CB-CH2 4.12Å; F428-W457 HydrophobicContact CB-CZ2 4.12Å; F428-W457 HydrophobicContact CB-CZ3 3.89Å; F428-W457 HydrophobicContact CD1-CB 3.75Å; F428-W457 HydrophobicContact CD1-CD2 4.24Å; F428-W457 HydrophobicContact CD1-CE3 4.41Å; F428-W457 AromaticContact CD1-CG 3.98Å; F428-W457 HydrophobicContact CD1-CG 3.98Å; F428-W457 HydrophobicContact CD2-CB 4.2Å; F428-W457 AromaticContact CD2-CD1 3.67Å; F428-W457 HydrophobicContact CD2-CD2 4.1Å; F428-W457 AromaticContact CD2-CG 3.75Å; F428-W457 HydrophobicContact CD2-CG 3.75Å; F428-W457 HydrophobicContact CE1-CB 3.75Å; F428-W457 HydrophobicContact CE1-CG 4.33Å; F428-W457 HydrophobicContact CE2-CB 4.19Å; F428-W457 AromaticContact CE2-CD1 3.96Å; F428-W457 HydrophobicContact CE2-CG 4.11Å; F428-W457 HydrophobicContact CG-CB 4Å; F428-W457 AromaticContact CG-CD2 3.75Å; F428-W457 HydrophobicContact CG-CD2 3.75Å; F428-W457 HydrophobicContact CG-CE3 4.12Å; F428-W457 AromaticContact CG-CG 3.7Å; F428-W457 HydrophobicContact CG-CG 3.7Å; F428-W457 HydrophobicContact CZ-CB 4Å; F428-W457 HydrophobicContact CZ-CG 4.41Å; F428-I460 HydrophobicContact CE2-CD1 3.81Å; F428-I460 HydrophobicContact CZ-CD1 3.63Å
429	S	96.8	Very high	94.6	Very high	50 Å²	50	54 Å²	54	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-66.8	-51.3	177.5	-53.3	0	0	0	0	110.6	R425 A426 A427 S431 L432 D433	R425-S429 PolarHBondContact O-N 2.68Å; R425-S429 PolarHBondContact O-OG 2.91Å; A426-S429 PolarHBondContact O-N 3.48Å; A427-S429 VanDerWaalsContact C-N 3.31Å; A427-S429 PolarHBondContact O-N 3.23Å; S429-S431 VanDerWaalsContact C-N 3.3Å; S429-S431 PolarHBondContact O-N 2.75Å; S429-L432 PolarHBondContact O-N 2.86Å; S429-D433 PolarHBondContact O-N 3.49Å
430	R	97.1	Very high	94.5	Very high	110 Å²	110	50.3 Å²	50.3	42%	0.415	25%	0.25	S	C	.	.	H	α-helix	trans	-56.8	-38.9	177	-176.8	-179.9	169.2	-146.8	-6.4	112.6	E383 W400 A426 A427 D433 Y434	E383-R430 IonicContact OE1-CZ 3.52Å; E383-R430 IonicContact OE1-NH1 3.99Å; E383-R430 PolarHBondContact OE1-NH1 3.14Å; E383-R430 IonicContact OE1-NH2 2.72Å; E383-R430 PolarHBondContact OE1-NH2 3.32Å; E383-R430 IonicContact OE2-CZ 2.78Å; E383-R430 IonicContact OE2-NH1 2.74Å; E383-R430 IonicContact OE2-NH2 3.94Å; E383-R430 PolarHBondContact OE2-NH2 3.05Å; W400-R430 HydrophobicContact CH2-CB 4.35Å; W400-R430 HydrophobicContact CH2-CG 3.8Å; W400-R430 HydrophobicContact CZ2-CG 4.36Å; A426-R430 WeakPolarHBondContact O-CB 3.43Å; A426-R430 PolarHBondContact O-N 2.7Å; A427-R430 PolarHBondContact O-N 2.72Å; R430-D433 PolarHBondContact O-N 3.1Å; R430-Y434 VanDerWaalsContact O-CB 3.24Å; R430-Y434 WeakPolarHBondContact O-CB 3.34Å; R430-Y434 PolarHBondContact O-N 2.96Å
431	S	96.7	Very high	94.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-38.1	179.6	72.7	0	0	0	0	112.7	W400 A427 F428 S429 L435	W400-S431 VanDerWaalsContact CD2-CB 3.43Å; A427-S431 WeakPolarHBondContact O-CB 3.29Å; A427-S431 PolarHBondContact O-N 2.88Å; A427-S431 PolarHBondContact O-OG 2.59Å; F428-S431 PolarHBondContact O-OG 3.07Å; S429-S431 VanDerWaalsContact C-N 3.3Å; S429-S431 PolarHBondContact O-N 2.75Å; S431-L435 WeakPolarHBondContact O-CB 3.49Å; S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.44Å; S431-L435 PolarHBondContact O-N 2.92Å
432	L	94.4	Very high	94	Very high	41 Å²	41	61.5 Å²	61.5	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-35.7	176.5	-63.1	176.2	0	0	0	112.2	F428 S429 K436 I453 M454 W457	F428-L432 WeakPolarHBondContact O-CG 3.46Å; F428-L432 PolarHBondContact O-N 2.77Å; S429-L432 PolarHBondContact O-N 2.86Å; L432-K436 WeakPolarHBondContact O-CB 3.43Å; L432-K436 PolarHBondContact O-N 2.56Å; L432-I453 HydrophobicContact CD2-CB 4.35Å; L432-I453 HydrophobicContact CD2-CG2 4Å; L432-M454 HydrophobicContact CD1-CE 4.41Å; L432-M454 HydrophobicContact CD1-CG 3.86Å; L432-M454 HydrophobicContact CD1-SD 4.39Å; L432-M454 HydrophobicContact CD2-CG 3.57Å; L432-M454 HydrophobicContact CD2-SD 4.27Å; L432-M454 HydrophobicContact CG-CG 4.39Å; L432-W457 HydrophobicContact CD1-CE3 4.11Å; L432-W457 HydrophobicContact CD1-CZ3 3.92Å
433	D	94.7	Very high	93.7	Very high	86 Å²	86	60 Å²	60	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-38.6	175.3	-72.8	-38.2	0	0	0	112.1	S429 R430 K436 Q437	S429-D433 PolarHBondContact O-N 3.49Å; R430-D433 PolarHBondContact O-N 3.1Å; D433-K436 PolarHBondContact O-N 2.89Å; D433-Q437 WeakPolarHBondContact O-CB 3.39Å; D433-Q437 WeakPolarHBondContact O-CG 3.31Å; D433-Q437 PolarHBondContact O-N 2.81Å; D433-Q437 PolarHBondContact O-NE2 2.84Å; D433-Q437 VanDerWaalsContact O-NE2 3.11Å
434	Y	94.4	Very high	93.3	Very high	36 Å²	36	61.3 Å²	61.3	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-44.3	175.5	-176.8	-87.9	0	0	0	112.4	L386 Y396 W400 R430 K436 Q437 D438 V439	L386-Y434 HydrophobicContact CD2-CE1 4.22Å; Y396-Y434 AromaticContact CD1-CE1 3.73Å; Y396-Y434 HydrophobicContact CD1-CE1 3.73Å; Y396-Y434 HydrophobicContact CE1-CE1 4.23Å; Y396-Y434 WeakPolarHBondContact CE1-OH 3.42Å; Y396-Y434 HydrophobicContact CG-CE1 4.47Å; W400-Y434 AromaticContact CD1-CD1 3.98Å; W400-Y434 AromaticContact CE2-CD1 3.99Å; W400-Y434 HydrophobicContact CZ2-CD1 4.33Å; W400-Y434 HydrophobicContact CZ2-CD2 4.42Å; W400-Y434 AromaticContact CZ2-CG 4Å; W400-Y434 HydrophobicContact CZ2-CG 4Å; W400-Y434 AromaticContact NE1-CD1 3.08Å; W400-Y434 AromaticContact NE1-CE1 3.61Å; W400-Y434 AromaticContact NE1-CG 3.63Å; R430-Y434 VanDerWaalsContact O-CB 3.24Å; R430-Y434 WeakPolarHBondContact O-CB 3.34Å; R430-Y434 PolarHBondContact O-N 2.96Å; Y434-K436 PolarHBondContact O-N 3.17Å; Y434-Q437 PolarHBondContact O-N 3.14Å; Y434-D438 HydrophobicContact CD1-CB 4.3Å; Y434-D438 HydrophobicContact CD2-CB 3.92Å; Y434-D438 WeakPolarHBondContact CD2-OD2 3.5Å; Y434-D438 HydrophobicContact CE1-CB 4.06Å; Y434-D438 HydrophobicContact CE2-CB 3.64Å; Y434-D438 VanDerWaalsContact CE2-OD1 3.25Å; Y434-D438 WeakPolarHBondContact CE2-OD1 3.45Å; Y434-D438 HydrophobicContact CG-CB 4.24Å; Y434-D438 PolarHBondContact O-N 3.28Å; Y434-V439 HydrophobicContact CD1-CG2 4.04Å; Y434-V439 HydrophobicContact CE1-CG2 3.79Å; Y434-V439 PolarHBondContact O-N 3.38Å
435	L	93.2	Very high	92.9	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.026	34%	0.337	C	S	.	.	I	π-helix	trans	-61.5	-31.6	175.2	-73.3	178.1	0	0	0	112.2	V397 S431 V439 E440 I453	V397-L435 HydrophobicContact CG2-CD1 4.05Å; V397-L435 HydrophobicContact CG2-CD2 3.76Å; S431-L435 WeakPolarHBondContact O-CB 3.49Å; S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.44Å; S431-L435 PolarHBondContact O-N 2.92Å; L435-V439 HydrophobicContact CD2-CB 4.21Å; L435-V439 HydrophobicContact CD2-CG1 4.38Å; L435-V439 HydrophobicContact CD2-CG2 3.93Å; L435-E440 WeakPolarHBondContact O-CG 3.47Å; L435-E440 PolarHBondContact O-N 2.73Å; L435-I453 HydrophobicContact CD1-CD1 3.81Å
436	K	90.8	Very high	92.3	Very high	135 Å²	135	65 Å²	65	59%	0.587	34%	0.335	S	S	*	.	I	π-helix	trans	-84.8	-22.1	-180	-170.8	-168.8	165.5	-154.8	0	114	L432 D433 Y434	L432-K436 WeakPolarHBondContact O-CB 3.43Å; L432-K436 PolarHBondContact O-N 2.56Å; D433-K436 PolarHBondContact O-N 2.89Å; Y434-K436 PolarHBondContact O-N 3.17Å
437	Q	91.3	Very high	91.8	Very high	114 Å²	114	62.7 Å²	62.7	53%	0.533	32%	0.318	S	S	.	.	I	π-helix	trans	-99.3	-86.4	176.6	-72.4	167.3	87.8	0	0	108.5	D433 Y434 V439 E441	D433-Q437 WeakPolarHBondContact O-CB 3.39Å; D433-Q437 WeakPolarHBondContact O-CG 3.31Å; D433-Q437 PolarHBondContact O-N 2.81Å; D433-Q437 PolarHBondContact O-NE2 2.84Å; D433-Q437 VanDerWaalsContact O-NE2 3.11Å; Y434-Q437 PolarHBondContact O-N 3.14Å; Q437-V439 VanDerWaalsContact C-N 3.29Å; Q437-V439 PolarHBondContact O-N 3.5Å; Q437-V439 VanDerWaalsContact O-N 3.14Å; Q437-E441 WeakPolarHBondContact O-CB 3.34Å; Q437-E441 PolarHBondContact O-N 3.3Å
438	D	88.8	Confident	91.4	Very high	79 Å²	79	62.5 Å²	62.5	42%	0.422	32%	0.315	S	S	.	.	I	π-helix	trans	-52.7	-39.3	-172.8	-51	-114.6	0	0	0	114.2	Y434 R442	Y434-D438 HydrophobicContact CD1-CB 4.3Å; Y434-D438 HydrophobicContact CD2-CB 3.92Å; Y434-D438 WeakPolarHBondContact CD2-OD2 3.5Å; Y434-D438 HydrophobicContact CE1-CB 4.06Å; Y434-D438 HydrophobicContact CE2-CB 3.64Å; Y434-D438 VanDerWaalsContact CE2-OD1 3.25Å; Y434-D438 WeakPolarHBondContact CE2-OD1 3.45Å; Y434-D438 HydrophobicContact CG-CB 4.24Å; Y434-D438 PolarHBondContact O-N 3.28Å; D438-R442 WeakPolarHBondContact O-CB 3.48Å; D438-R442 PolarHBondContact O-N 3.28Å
439	V	89.6	Confident	90.9	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.346	C	S	.	.	I	π-helix	trans	-90.3	-48.8	-174.7	-174.8	0	0	0	0	112.5	A393 Y396 Y434 L435 Q437 E441 R442 F443	A393-V439 HydrophobicContact CB-CG1 3.55Å; Y396-V439 HydrophobicContact CD1-CG2 4.4Å; Y396-V439 HydrophobicContact CD2-CG2 4.29Å; Y396-V439 HydrophobicContact CG-CG2 3.93Å; Y434-V439 HydrophobicContact CD1-CG2 4.04Å; Y434-V439 HydrophobicContact CE1-CG2 3.79Å; Y434-V439 PolarHBondContact O-N 3.38Å; L435-V439 HydrophobicContact CD2-CB 4.21Å; L435-V439 HydrophobicContact CD2-CG1 4.38Å; L435-V439 HydrophobicContact CD2-CG2 3.93Å; Q437-V439 VanDerWaalsContact C-N 3.29Å; Q437-V439 PolarHBondContact O-N 3.5Å; Q437-V439 VanDerWaalsContact O-N 3.14Å; V439-E441 VanDerWaalsContact C-N 3.27Å; V439-E441 PolarHBondContact O-N 3.1Å; V439-R442 PolarHBondContact O-N 2.94Å; V439-F443 HydrophobicContact CG1-CD2 3.82Å; V439-F443 HydrophobicContact CG1-CE2 4.36Å; V439-F443 PolarHBondContact O-N 3.4Å
440	E	91.3	Very high	90.6	Very high	70 Å²	70	67 Å²	67	33%	0.327	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-34.4	173.9	-82.2	178.9	-152	0	0	111.9	L435 G444 S446	L435-E440 WeakPolarHBondContact O-CG 3.47Å; L435-E440 PolarHBondContact O-N 2.73Å; E440-G444 WeakPolarHBondContact O-CA 3.44Å; E440-G444 PolarHBondContact O-N 3.4Å; E440-S446 WeakPolarHBondContact OE1-CB 3.44Å
441	E	91.6	Very high	90.4	Very high	173 Å²	173	62 Å²	62	81%	0.808	33%	0.326	S	S	*	.	H	α-helix	trans	-72.8	-41.9	175.3	-174.1	167.4	-174.4	0	0	112.8	Q437 V439	Q437-E441 WeakPolarHBondContact O-CB 3.34Å; Q437-E441 PolarHBondContact O-N 3.3Å; V439-E441 VanDerWaalsContact C-N 3.27Å; V439-E441 PolarHBondContact O-N 3.1Å
442	R	88.4	Confident	90.3	Very high	130 Å²	130	63.1 Å²	63.1	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-74.4	-34.1	-177.9	-175.9	173.5	177.6	-137.3	-8.1	113.8	F390 Y396 D438 V439	F390-R442 PolarHBondContact O-NH1 3.18Å; F390-R442 PolarHBondContact O-NH2 2.95Å; F390-R442 VanDerWaalsContact O-NH2 3.08Å; Y396-R442 PolarHBondContact OH-NH1 2.68Å; D438-R442 WeakPolarHBondContact O-CB 3.48Å; D438-R442 PolarHBondContact O-N 3.28Å; V439-R442 PolarHBondContact O-N 2.94Å
443	F	88.6	Confident	90.4	Very high	61 Å²	61	61.2 Å²	61.2	27%	0.268	33%	0.325	S	S	.	.	H	α-helix	trans	-115.4	-15.2	-172.8	-63.1	-80.5	0	0	0	114.5	I391 A393 Y396 V439 E445	I391-F443 WeakPolarHBondContact O-CE1 3.34Å; A393-F443 HydrophobicContact CB-CB 4.24Å; A393-F443 HydrophobicContact CB-CD2 4.05Å; A393-F443 HydrophobicContact CB-CG 4.13Å; Y396-F443 HydrophobicContact CD2-CE2 4.11Å; Y396-F443 AromaticContact CE2-CE2 3.96Å; Y396-F443 HydrophobicContact CE2-CE2 3.96Å; Y396-F443 HydrophobicContact CE2-CZ 4.26Å; V439-F443 HydrophobicContact CG1-CD2 3.82Å; V439-F443 HydrophobicContact CG1-CE2 4.36Å; V439-F443 PolarHBondContact O-N 3.4Å; F443-E445 HydrophobicContact CB-CG 3.91Å; F443-E445 PolarHBondContact O-N 3.32Å
444	G	87.4	Confident	90.4	Very high	71 Å²	71	57.8 Å²	57.8	73%	0.732	31%	0.307	S	S	*	.	S	Bend	trans	73.8	6.8	-171.5	0	0	0	0	0	114.1	E440	E440-G444 WeakPolarHBondContact O-CA 3.44Å; E440-G444 PolarHBondContact O-N 3.4Å
445	E	88.5	Confident	90.4	Very high	106 Å²	106	57 Å²	57	50%	0.495	30%	0.304	S	S	.	.	S	Bend	trans	-142.3	152.2	-179.4	60	168.8	-168.8	0	0	112.2	A393 F443 G447	A393-E445 HydrophobicContact CB-CG 3.96Å; F443-E445 HydrophobicContact CB-CG 3.91Å; F443-E445 PolarHBondContact O-N 3.32Å; E445-G447 VanDerWaalsContact C-N 3.33Å; E445-G447 PolarHBondContact O-N 2.95Å
446	S	82.1	Confident	90.6	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	32%	0.317	C	S	.	.			trans	-78.5	-9	-175.8	175.3	0	0	0	0	114.7	E440 D448	E440-S446 WeakPolarHBondContact OE1-CB 3.44Å; S446-D448 PolarHBondContact O-N 3.45Å
447	G	86.1	Confident	90.9	Very high	12 Å²	12	54 Å²	54	12%	0.124	29%	0.292	C	S	.	.	S	Bend	trans	67.7	-26.2	-170.3	0	0	0	0	0	115.7	E445 P449	E445-G447 VanDerWaalsContact C-N 3.33Å; E445-G447 PolarHBondContact O-N 2.95Å; G447-P449 WeakPolarHBondContact O-CD 3.4Å
448	D	89.9	Confident	91.1	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.048	27%	0.267	C	S	.	.			trans	-120.4	73.9	179.9	-172.8	3.1	0	0	0	112.5	V397 S446 S450 C451 A452 I453	V397-D448 HydrophobicContact CG1-CB 4Å; V397-D448 HydrophobicContact CG2-CB 3.85Å; S446-D448 PolarHBondContact O-N 3.45Å; D448-S450 PolarHBondContact O-N 2.82Å; D448-S450 PolarHBondContact OD1-N 3.08Å; D448-S450 PolarHBondContact OD1-OG 2.77Å; D448-C451 VanDerWaalsContact CG-CA 3.45Å; D448-C451 PolarHBondContact O-N 2.96Å; D448-C451 WeakPolarHBondContact OD1-CA 3.26Å; D448-C451 PolarHBondContact OD1-N 2.79Å; D448-C451 VanDerWaalsContact OD2-CA 3.29Å; D448-C451 WeakPolarHBondContact OD2-CA 3.29Å; D448-A452 PolarHBondContact OD1-N 2.94Å; D448-A452 WeakPolarHBondContact OD2-CA 3.24Å; D448-A452 PolarHBondContact OD2-N 3.14Å; D448-I453 PolarHBondContact OD2-N 3.45Å
449	P	87.8	Confident	91.5	Very high	103 Å²	103	49.5 Å²	49.5	67%	0.669	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.6	177.5	-23.8	33.6	0	0	0	113.1	G447 C451 N483	G447-P449 WeakPolarHBondContact O-CD 3.4Å; P449-C451 VanDerWaalsContact C-N 3.31Å; P449-C451 PolarHBondContact O-N 2.98Å; P449-N483 PolarHBondContact O-ND2 2.98Å; P449-N483 PolarHBondContact O-OD1 3.17Å
450	S	89.3	Confident	91.7	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.4	178.1	44.4	0	0	0	0	114.8	D448 A452 Q455	D448-S450 PolarHBondContact O-N 2.82Å; D448-S450 PolarHBondContact OD1-N 3.08Å; D448-S450 PolarHBondContact OD1-OG 2.77Å; S450-A452 PolarHBondContact O-N 3.13Å; S450-Q455 PolarHBondContact O-NE2 3.03Å
451	C	93.6	Very high	91.9	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	25%	0.252	C	S	.	.			trans	52.8	39.5	-168.5	-55	0	0	0	0	112.8	D448 P449 I453 M454 Q455 I478 K481	D448-C451 VanDerWaalsContact CG-CA 3.45Å; D448-C451 PolarHBondContact O-N 2.96Å; D448-C451 WeakPolarHBondContact OD1-CA 3.26Å; D448-C451 PolarHBondContact OD1-N 2.79Å; D448-C451 VanDerWaalsContact OD2-CA 3.29Å; D448-C451 WeakPolarHBondContact OD2-CA 3.29Å; P449-C451 VanDerWaalsContact C-N 3.31Å; P449-C451 PolarHBondContact O-N 2.98Å; C451-I453 PolarHBondContact O-N 3.3Å; C451-M454 HydrophobicContact CB-CB 4.17Å; C451-M454 HydrophobicContact CB-CG 4.14Å; C451-M454 HydrophobicContact CB-SD 3.99Å; C451-M454 WeakPolarHBondContact O-CA 3.49Å; C451-M454 WeakPolarHBondContact O-CB 3.39Å; C451-M454 PolarHBondContact O-N 2.7Å; C451-Q455 PolarHBondContact O-N 3.27Å; C451-I478 HydrophobicContact CB-CB 4.42Å; C451-I478 HydrophobicContact CB-CG1 3.81Å; C451-I478 HydrophobicContact CB-CG2 4.18Å; C451-K481 WeakPolarHBondContact SG-CD 3.42Å
452	A	94.3	Very high	92	Very high	24 Å²	24	38.6 Å²	38.6	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-50.2	-38.6	176.3	0	0	0	0	0	113.2	D448 S450 M454 Q455 I456	D448-A452 PolarHBondContact OD1-N 2.94Å; D448-A452 WeakPolarHBondContact OD2-CA 3.24Å; D448-A452 PolarHBondContact OD2-N 3.14Å; S450-A452 PolarHBondContact O-N 3.13Å; A452-M454 VanDerWaalsContact C-N 3.31Å; A452-M454 PolarHBondContact O-N 3.16Å; A452-Q455 PolarHBondContact O-N 3.1Å; A452-I456 VanDerWaalsContact O-CG1 3.29Å; A452-I456 WeakPolarHBondContact O-CG1 3.48Å; A452-I456 PolarHBondContact O-N 3.12Å
453	I	95.6	Very high	92.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-43.4	174	-66.9	-172.7	0	0	0	110.9	V397 W400 Q401 L404 F428 L432 L435 D448 C451 I456 W457	V397-I453 HydrophobicContact CG1-CD1 4.25Å; V397-I453 HydrophobicContact CG1-CG1 4.36Å; W400-I453 HydrophobicContact CB-CD1 4.07Å; Q401-I453 HydrophobicContact CG-CD1 4.29Å; Q401-I453 HydrophobicContact CG-CG1 3.84Å; L404-I453 HydrophobicContact CD1-CD1 4.34Å; L404-I453 HydrophobicContact CD1-CG2 3.89Å; F428-I453 HydrophobicContact CD1-CG2 3.85Å; F428-I453 HydrophobicContact CE1-CG2 4.09Å; L432-I453 HydrophobicContact CD2-CB 4.35Å; L432-I453 HydrophobicContact CD2-CG2 4Å; L435-I453 HydrophobicContact CD1-CD1 3.81Å; D448-I453 PolarHBondContact OD2-N 3.45Å; C451-I453 PolarHBondContact O-N 3.3Å; I453-I456 PolarHBondContact O-N 3.37Å; I453-W457 PolarHBondContact O-N 3.33Å
454	M	95.8	Very high	92.4	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-35.7	177.6	-55.4	-176	69.6	0	0	112	L432 C451 A452 W457 A458 L474 N477 I478	L432-M454 HydrophobicContact CD1-CE 4.41Å; L432-M454 HydrophobicContact CD1-CG 3.86Å; L432-M454 HydrophobicContact CD1-SD 4.39Å; L432-M454 HydrophobicContact CD2-CG 3.57Å; L432-M454 HydrophobicContact CD2-SD 4.27Å; L432-M454 HydrophobicContact CG-CG 4.39Å; C451-M454 HydrophobicContact CB-CB 4.17Å; C451-M454 HydrophobicContact CB-CG 4.14Å; C451-M454 HydrophobicContact CB-SD 3.99Å; C451-M454 WeakPolarHBondContact O-CA 3.49Å; C451-M454 WeakPolarHBondContact O-CB 3.39Å; C451-M454 PolarHBondContact O-N 2.7Å; A452-M454 VanDerWaalsContact C-N 3.31Å; A452-M454 PolarHBondContact O-N 3.16Å; M454-W457 PolarHBondContact O-N 2.99Å; M454-A458 WeakPolarHBondContact O-CB 3.41Å; M454-A458 PolarHBondContact O-N 3.35Å; M454-L474 HydrophobicContact CE-CD2 3.83Å; M454-N477 HydrophobicContact CE-CB 3.7Å; M454-I478 HydrophobicContact CB-CD1 3.65Å; M454-I478 HydrophobicContact CB-CG1 3.66Å; M454-I478 HydrophobicContact CE-CG1 4.33Å; M454-I478 HydrophobicContact CG-CG1 4.47Å; M454-I478 HydrophobicContact SD-CG1 4.12Å
455	Q	95.3	Very high	92.6	Very high	18 Å²	18	35 Å²	35	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-42.6	173.9	-64.6	-177.2	41.5	0	0	111.6	S450 C451 A452 A458 R459 W475 I478	S450-Q455 PolarHBondContact O-NE2 3.03Å; C451-Q455 PolarHBondContact O-N 3.27Å; A452-Q455 PolarHBondContact O-N 3.1Å; Q455-A458 PolarHBondContact O-N 2.85Å; Q455-R459 WeakPolarHBondContact O-CB 3.37Å; Q455-R459 VanDerWaalsContact O-CG 3.28Å; Q455-R459 WeakPolarHBondContact O-CG 3.42Å; Q455-R459 PolarHBondContact O-N 3.48Å; Q455-W475 HydrophobicContact CG-CH2 3.8Å; Q455-W475 HydrophobicContact CG-CZ2 4.09Å; Q455-W475 HydrophobicContact CG-CZ3 4.35Å; Q455-I478 HydrophobicContact CG-CD1 3.85Å
456	I	95.8	Very high	92.7	Very high	58 Å²	58	38.6 Å²	38.6	30%	0.297	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-46.2	176.2	-68.6	165.8	0	0	0	110.1	F428 A452 I453 A458 R459 I460	F428-I456 HydrophobicContact CE1-CG2 4.43Å; F428-I456 HydrophobicContact CZ-CG2 4.14Å; A452-I456 VanDerWaalsContact O-CG1 3.29Å; A452-I456 WeakPolarHBondContact O-CG1 3.48Å; A452-I456 PolarHBondContact O-N 3.12Å; I453-I456 PolarHBondContact O-N 3.37Å; I456-A458 PolarHBondContact O-N 3.1Å; I456-R459 PolarHBondContact O-N 3.02Å; I456-I460 HydrophobicContact CG2-CD1 3.77Å; I456-I460 WeakPolarHBondContact O-CD1 3.45Å; I456-I460 WeakPolarHBondContact O-CG1 3.44Å; I456-I460 PolarHBondContact O-N 3.39Å
457	W	97.2	Very high	93.3	Very high	19 Å²	19	40 Å²	40	7%	0.072	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176.4	-169.6	9.7	0	0	0	111.9	F428 L432 I453 M454 R459 I460 E461 L474	F428-W457 HydrophobicContact CB-CD2 3.61Å; F428-W457 HydrophobicContact CB-CE3 3.64Å; F428-W457 HydrophobicContact CB-CG 4.13Å; F428-W457 HydrophobicContact CB-CH2 4.12Å; F428-W457 HydrophobicContact CB-CZ2 4.12Å; F428-W457 HydrophobicContact CB-CZ3 3.89Å; F428-W457 HydrophobicContact CD1-CB 3.75Å; F428-W457 HydrophobicContact CD1-CD2 4.24Å; F428-W457 HydrophobicContact CD1-CE3 4.41Å; F428-W457 AromaticContact CD1-CG 3.98Å; F428-W457 HydrophobicContact CD1-CG 3.98Å; F428-W457 HydrophobicContact CD2-CB 4.2Å; F428-W457 AromaticContact CD2-CD1 3.67Å; F428-W457 HydrophobicContact CD2-CD2 4.1Å; F428-W457 AromaticContact CD2-CG 3.75Å; F428-W457 HydrophobicContact CD2-CG 3.75Å; F428-W457 HydrophobicContact CE1-CB 3.75Å; F428-W457 HydrophobicContact CE1-CG 4.33Å; F428-W457 HydrophobicContact CE2-CB 4.19Å; F428-W457 AromaticContact CE2-CD1 3.96Å; F428-W457 HydrophobicContact CE2-CG 4.11Å; F428-W457 HydrophobicContact CG-CB 4Å; F428-W457 AromaticContact CG-CD2 3.75Å; F428-W457 HydrophobicContact CG-CD2 3.75Å; F428-W457 HydrophobicContact CG-CE3 4.12Å; F428-W457 AromaticContact CG-CG 3.7Å; F428-W457 HydrophobicContact CG-CG 3.7Å; F428-W457 HydrophobicContact CZ-CB 4Å; F428-W457 HydrophobicContact CZ-CG 4.41Å; L432-W457 HydrophobicContact CD1-CE3 4.11Å; L432-W457 HydrophobicContact CD1-CZ3 3.92Å; I453-W457 PolarHBondContact O-N 3.33Å; M454-W457 PolarHBondContact O-N 2.99Å; W457-R459 VanDerWaalsContact C-N 3.33Å; W457-R459 PolarHBondContact O-N 3.16Å; W457-I460 PolarHBondContact O-N 3.11Å; W457-E461 PolarHBondContact NE1-OE1 2.62Å; W457-E461 VanDerWaalsContact NE1-OE1 3.08Å; W457-E461 WeakPolarHBondContact O-CG 3.46Å; W457-E461 PolarHBondContact O-N 3.22Å; W457-L474 HydrophobicContact CB-CD1 3.95Å; W457-L474 HydrophobicContact CD2-CD1 3.74Å; W457-L474 HydrophobicContact CD2-CD2 4.18Å; W457-L474 HydrophobicContact CE3-CD1 4.05Å; W457-L474 HydrophobicContact CE3-CD2 3.6Å; W457-L474 HydrophobicContact CE3-CG 4.48Å; W457-L474 HydrophobicContact CG-CD1 3.69Å; W457-L474 HydrophobicContact CZ3-CD2 3.99Å
458	A	96.6	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-40	177.2	0	0	0	0	0	112.4	M454 Q455 I456 A462 A471 L474 L496	M454-A458 WeakPolarHBondContact O-CB 3.41Å; M454-A458 PolarHBondContact O-N 3.35Å; Q455-A458 PolarHBondContact O-N 2.85Å; I456-A458 PolarHBondContact O-N 3.1Å; A458-A462 VanDerWaalsContact O-CB 3.3Å; A458-A462 WeakPolarHBondContact O-CB 3.47Å; A458-A462 PolarHBondContact O-N 3.25Å; A458-A471 HydrophobicContact CB-CB 4.23Å; A458-A471 WeakPolarHBondContact O-CB 3.3Å; A458-L474 HydrophobicContact CB-CB 3.98Å; A458-L474 HydrophobicContact CB-CD1 4.03Å; A458-L496 HydrophobicContact CB-CD2 4.25Å
459	R	95.9	Very high	93.9	Very high	100 Å²	100	46.4 Å²	46.4	38%	0.377	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-43.1	173.8	-76.5	167.5	172.3	177.8	-3.1	111.9	Q455 I456 W457 H463 E492 L496	Q455-R459 WeakPolarHBondContact O-CB 3.37Å; Q455-R459 VanDerWaalsContact O-CG 3.28Å; Q455-R459 WeakPolarHBondContact O-CG 3.42Å; Q455-R459 PolarHBondContact O-N 3.48Å; I456-R459 PolarHBondContact O-N 3.02Å; W457-R459 VanDerWaalsContact C-N 3.33Å; W457-R459 PolarHBondContact O-N 3.16Å; R459-H463 WeakPolarHBondContact O-CB 3.25Å; R459-H463 PolarHBondContact O-N 2.99Å; R459-E492 IonicContact CZ-OE2 3.06Å; R459-E492 IonicContact NE-OE2 3.29Å; R459-E492 IonicContact NH2-OE1 2.68Å; R459-E492 PolarHBondContact NH2-OE1 3.46Å; R459-E492 IonicContact NH2-OE2 3.83Å; R459-E492 PolarHBondContact NH2-OE2 3.15Å; R459-L496 HydrophobicContact CB-CD1 4.49Å; R459-L496 HydrophobicContact CG-CD1 4.02Å
460	I	94.8	Very high	94.2	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-49.4	178.4	-67.6	159.9	0	0	0	111.2	R408 F413 L424 F428 I456 W457 A462 H464 C465	R408-I460 VanDerWaalsContact CD-CD1 3.5Å; R408-I460 HydrophobicContact CG-CD1 3.93Å; R408-I460 HydrophobicContact CG-CG1 4.37Å; F413-I460 HydrophobicContact CE1-CG2 3.93Å; F413-I460 HydrophobicContact CZ-CG2 4.07Å; L424-I460 HydrophobicContact CD2-CG2 4.45Å; F428-I460 HydrophobicContact CE2-CD1 3.81Å; F428-I460 HydrophobicContact CZ-CD1 3.63Å; I456-I460 HydrophobicContact CG2-CD1 3.77Å; I456-I460 WeakPolarHBondContact O-CD1 3.45Å; I456-I460 WeakPolarHBondContact O-CG1 3.44Å; I456-I460 PolarHBondContact O-N 3.39Å; W457-I460 PolarHBondContact O-N 3.11Å; I460-A462 PolarHBondContact O-N 2.77Å; I460-H464 WeakPolarHBondContact O-CB 3.35Å; I460-H464 PolarHBondContact O-N 2.96Å; I460-C465 PolarHBondContact O-N 3.31Å
461	E	94.8	Very high	94.5	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-43.5	-179.8	-71	-70.9	165.5	0	0	111.5	R425 W457 C465 K466 N467 K470	R425-E461 IonicContact CZ-OE1 3.63Å; R425-E461 IonicContact CZ-OE2 3.54Å; R425-E461 IonicContact NE-OE1 2.81Å; R425-E461 PolarHBondContact NE-OE1 3.39Å; R425-E461 IonicContact NE-OE2 2.72Å; R425-E461 IonicContact NH2-OE1 2.96Å; R425-E461 PolarHBondContact NH2-OE1 3.33Å; R425-E461 IonicContact NH2-OE2 2.77Å; R425-E461 PolarHBondContact NH2-OE2 2.86Å; W457-E461 PolarHBondContact NE1-OE1 2.62Å; W457-E461 VanDerWaalsContact NE1-OE1 3.08Å; W457-E461 WeakPolarHBondContact O-CG 3.46Å; W457-E461 PolarHBondContact O-N 3.22Å; E461-C465 CarbonylContact O-C 3.54Å; E461-C465 VanDerWaalsContact O-C 3.32Å; E461-C465 WeakPolarHBondContact O-CA 3.38Å; E461-C465 WeakPolarHBondContact O-CB 3.29Å; E461-C465 PolarHBondContact O-N 3.48Å; E461-K466 PolarHBondContact O-N 3.07Å; E461-N467 HydrophobicContact CB-CB 4.26Å; E461-N467 PolarHBondContact O-N 2.72Å; E461-N467 WeakPolarHBondContact OE2-CB 3.39Å; E461-N467 PolarHBondContact OE2-ND2 2.67Å; E461-K470 HydrophobicContact CB-CB 4.43Å; E461-K470 HydrophobicContact CG-CB 4.32Å; E461-K470 HydrophobicContact CG-CG 4.15Å
462	A	94.7	Very high	94.6	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-51.4	177.8	0	0	0	0	0	113.1	A458 I460 K466 M468 A471 L496 Y500	A458-A462 VanDerWaalsContact O-CB 3.3Å; A458-A462 WeakPolarHBondContact O-CB 3.47Å; A458-A462 PolarHBondContact O-N 3.25Å; I460-A462 PolarHBondContact O-N 2.77Å; A462-K466 WeakPolarHBondContact O-CA 3.43Å; A462-M468 HydrophobicContact CB-SD 3.66Å; A462-A471 HydrophobicContact CB-CB 3.83Å; A462-L496 HydrophobicContact CB-CD1 3.96Å; A462-L496 HydrophobicContact CB-CD2 4.11Å; A462-L496 HydrophobicContact CB-CG 4.06Å; A462-Y500 HydrophobicContact CB-CD2 3.92Å; A462-Y500 HydrophobicContact CB-CG 4.32Å
463	H	93.8	Very high	94.7	Very high	91 Å²	91	47.1 Å²	47.1	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-75	-48.1	-172	178	37.6	0	0	0	113	R459 Y500	R459-H463 WeakPolarHBondContact O-CB 3.25Å; R459-H463 PolarHBondContact O-N 2.99Å; H463-Y500 HydrophobicContact CB-CD2 4.35Å; H463-Y500 HydrophobicContact CB-CE1 4.22Å; H463-Y500 HydrophobicContact CB-CE2 3.77Å; H463-Y500 AromaticContact CG-CZ 3.7Å; H463-Y500 AromaticContact ND1-CE1 3.37Å; H463-Y500 WeakPolarHBondContact ND1-CE1 3.44Å; H463-Y500 AromaticContact ND1-CZ 3.33Å; H463-Y500 VanDerWaalsContact ND1-CZ 3.33Å; H463-Y500 PolarHBondContact ND1-OH 3.31Å; H463-Y500 VanDerWaalsContact ND1-OH 3.1Å
464	H	91.9	Very high	94.7	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.296	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-51.4	-173.4	-61.8	-50.6	0	0	0	111.5	F413 I460 K466	F413-H464 HydrophobicContact CB-CB 4.08Å; F413-H464 HydrophobicContact CD1-CB 3.4Å; F413-H464 HydrophobicContact CD2-CB 4.41Å; F413-H464 HydrophobicContact CE1-CB 3.82Å; F413-H464 HydrophobicContact CG-CB 3.72Å; F413-H464 AromaticContact CG-CG 3.97Å; F413-H464 HydrophobicContact CZ-CB 4.5Å; I460-H464 WeakPolarHBondContact O-CB 3.35Å; I460-H464 PolarHBondContact O-N 2.96Å; H464-K466 VanDerWaalsContact C-N 3.3Å; H464-K466 PolarHBondContact O-N 3.01Å
465	C	90.6	Very high	94.7	Very high	33 Å²	33	46.7 Å²	46.7	22%	0.223	21%	0.214	C	C	.	.	S	Bend	trans	-81.4	-7.1	-175.8	-48.4	0	0	0	0	113.7	I460 E461 N467	I460-C465 PolarHBondContact O-N 3.31Å; E461-C465 CarbonylContact O-C 3.54Å; E461-C465 VanDerWaalsContact O-C 3.32Å; E461-C465 WeakPolarHBondContact O-CA 3.38Å; E461-C465 WeakPolarHBondContact O-CB 3.29Å; E461-C465 PolarHBondContact O-N 3.48Å; C465-N467 HydrophobicContact CB-CB 4.19Å; C465-N467 PolarHBondContact O-N 3.16Å
466	K	91.7	Very high	94.7	Very high	180 Å²	180	48.6 Å²	48.6	78%	0.783	23%	0.225	S	C	*	.			trans	55.3	17.9	-174.6	-56.9	171.8	-172.9	164.5	0	114.1	E461 A462 H464 M468	E461-K466 PolarHBondContact O-N 3.07Å; A462-K466 WeakPolarHBondContact O-CA 3.43Å; H464-K466 VanDerWaalsContact C-N 3.3Å; H464-K466 PolarHBondContact O-N 3.01Å; K466-M468 VanDerWaalsContact C-N 3.3Å; K466-M468 PolarHBondContact O-N 3.11Å; K466-M468 VanDerWaalsContact O-N 3.07Å
467	N	93.3	Very high	94.6	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	23%	0.233	S	C	.	.			trans	-88.8	66.3	-175.2	-175.1	4.6	0	0	0	110.3	E461 C465 Q469 K470 A471	E461-N467 HydrophobicContact CB-CB 4.26Å; E461-N467 PolarHBondContact O-N 2.72Å; E461-N467 WeakPolarHBondContact OE2-CB 3.39Å; E461-N467 PolarHBondContact OE2-ND2 2.67Å; C465-N467 HydrophobicContact CB-CB 4.19Å; C465-N467 PolarHBondContact O-N 3.16Å; N467-Q469 PolarHBondContact O-N 3.36Å; N467-K470 VanDerWaalsContact ND2-CB 3.26Å; N467-K470 WeakPolarHBondContact ND2-CB 3.36Å; N467-K470 PolarHBondContact O-N 2.59Å; N467-K470 VanDerWaalsContact O-N 3.09Å; N467-K470 PolarHBondContact OD1-N 3.18Å; N467-A471 PolarHBondContact O-N 3.21Å
468	M	94.9	Very high	94.5	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-24.2	-176.5	-162.5	62.8	-167.3	0	0	112.8	A462 K466 A471 R472 L496 E497	A462-M468 HydrophobicContact CB-SD 3.66Å; K466-M468 VanDerWaalsContact C-N 3.3Å; K466-M468 PolarHBondContact O-N 3.11Å; K466-M468 VanDerWaalsContact O-N 3.07Å; M468-A471 HydrophobicContact SD-CB 4.11Å; M468-R472 HydrophobicContact CE-CG 4.37Å; M468-R472 WeakPolarHBondContact O-CD 3.46Å; M468-R472 VanDerWaalsContact O-CG 3.25Å; M468-R472 WeakPolarHBondContact O-CG 3.42Å; M468-R472 PolarHBondContact O-N 2.99Å; M468-L496 HydrophobicContact CE-CG 4.5Å; M468-E497 HydrophobicContact CE-CB 4.13Å; M468-E497 HydrophobicContact CE-CG 4.42Å; M468-E497 WeakPolarHBondContact CE-OE2 3.41Å
469	Q	94.7	Very high	94.4	Very high	136 Å²	136	49.6 Å²	49.6	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-60.4	-50.1	170.8	-177.1	-177.7	-40.2	0	0	110.8	N467 A471 R472 E473	N467-Q469 PolarHBondContact O-N 3.36Å; Q469-A471 VanDerWaalsContact C-N 3.32Å; Q469-A471 PolarHBondContact O-N 3.24Å; Q469-R472 PolarHBondContact O-N 3.3Å; Q469-R472 VanDerWaalsContact O-N 3.17Å; Q469-E473 PolarHBondContact NE2-OE1 3.34Å; Q469-E473 PolarHBondContact O-N 3.41Å
470	K	93.9	Very high	94.2	Very high	64 Å²	64	50.4 Å²	50.4	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-66.4	-35.5	-178.7	-168	56.9	174.6	-176.6	0	112.6	E461 N467 R472 E473 L474	E461-K470 HydrophobicContact CB-CB 4.43Å; E461-K470 HydrophobicContact CG-CB 4.32Å; E461-K470 HydrophobicContact CG-CG 4.15Å; N467-K470 VanDerWaalsContact ND2-CB 3.26Å; N467-K470 WeakPolarHBondContact ND2-CB 3.36Å; N467-K470 PolarHBondContact O-N 2.59Å; N467-K470 VanDerWaalsContact O-N 3.09Å; N467-K470 PolarHBondContact OD1-N 3.18Å; K470-R472 VanDerWaalsContact C-N 3.34Å; K470-R472 PolarHBondContact O-N 3.4Å; K470-E473 HydrophobicContact CD-CB 4.37Å; K470-E473 WeakPolarHBondContact CD-OE2 3.41Å; K470-E473 IonicContact NZ-OE2 3.67Å; K470-E473 PolarHBondContact NZ-OE2 3.09Å; K470-E473 PolarHBondContact O-N 2.95Å; K470-L474 HydrophobicContact CG-CD1 4.31Å; K470-L474 VanDerWaalsContact O-CG 3.32Å; K470-L474 WeakPolarHBondContact O-CG 3.46Å; K470-L474 PolarHBondContact O-N 3.19Å
471	A	95.7	Very high	94	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-41.8	172.9	0	0	0	0	0	112.4	A458 A462 N467 M468 Q469 L474 W475 L496	A458-A471 HydrophobicContact CB-CB 4.23Å; A458-A471 WeakPolarHBondContact O-CB 3.3Å; A462-A471 HydrophobicContact CB-CB 3.83Å; N467-A471 PolarHBondContact O-N 3.21Å; M468-A471 HydrophobicContact SD-CB 4.11Å; Q469-A471 VanDerWaalsContact C-N 3.32Å; Q469-A471 PolarHBondContact O-N 3.24Å; A471-L474 PolarHBondContact O-N 3.3Å; A471-W475 VanDerWaalsContact O-CD1 3.28Å; A471-W475 PolarHBondContact O-N 2.89Å; A471-L496 HydrophobicContact CB-CD2 4.21Å
472	R	95.3	Very high	93.7	Very high	55 Å²	55	57.1 Å²	57.1	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-43.3	175.5	-69.2	166.1	-179.8	165.8	-0.4	112.2	M468 Q469 K470 L474 W475 D476 Y493 E497 D502 H505	M468-R472 HydrophobicContact CE-CG 4.37Å; M468-R472 WeakPolarHBondContact O-CD 3.46Å; M468-R472 VanDerWaalsContact O-CG 3.25Å; M468-R472 WeakPolarHBondContact O-CG 3.42Å; M468-R472 PolarHBondContact O-N 2.99Å; Q469-R472 PolarHBondContact O-N 3.3Å; Q469-R472 VanDerWaalsContact O-N 3.17Å; K470-R472 VanDerWaalsContact C-N 3.34Å; K470-R472 PolarHBondContact O-N 3.4Å; R472-L474 VanDerWaalsContact C-N 3.32Å; R472-L474 PolarHBondContact O-N 3.08Å; R472-W475 PolarHBondContact O-N 3.36Å; R472-D476 PolarHBondContact O-N 3.32Å; R472-Y493 HydrophobicContact CG-CE2 4.47Å; R472-E497 IonicContact CZ-OE1 3.01Å; R472-E497 IonicContact CZ-OE2 2.73Å; R472-E497 IonicContact NE-OE1 3.46Å; R472-E497 PolarHBondContact NE-OE1 3.32Å; R472-E497 IonicContact NE-OE2 2.68Å; R472-E497 PolarHBondContact NE-OE2 3.36Å; R472-E497 IonicContact NH2-OE1 3.68Å; R472-E497 PolarHBondContact NH2-OE1 3.13Å; R472-E497 IonicContact NH2-OE2 3.59Å; R472-D502 IonicContact CZ-OD2 2.69Å; R472-D502 IonicContact NH2-OD2 2.78Å; R472-D502 PolarHBondContact NH2-OD2 3.2Å; R472-H505 PolarHBondContact NH2-ND1 3.12Å
473	E	96.2	Very high	93.7	Very high	71 Å²	71	57.4 Å²	57.4	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-56.5	-44.1	173.4	-71.3	171.7	-156.5	0	0	112	Q469 K470 N477	Q469-E473 PolarHBondContact NE2-OE1 3.34Å; Q469-E473 PolarHBondContact O-N 3.41Å; K470-E473 HydrophobicContact CD-CB 4.37Å; K470-E473 WeakPolarHBondContact CD-OE2 3.41Å; K470-E473 IonicContact NZ-OE2 3.67Å; K470-E473 PolarHBondContact NZ-OE2 3.09Å; K470-E473 PolarHBondContact O-N 2.95Å; E473-N477 PolarHBondContact O-N 2.88Å; E473-N477 PolarHBondContact O-ND2 2.97Å
474	L	95.6	Very high	93.7	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-44.3	177.1	-71.4	166.8	0	0	0	111.3	M454 W457 A458 K470 A471 R472 N477 I478	M454-L474 HydrophobicContact CE-CD2 3.83Å; W457-L474 HydrophobicContact CB-CD1 3.95Å; W457-L474 HydrophobicContact CD2-CD1 3.74Å; W457-L474 HydrophobicContact CD2-CD2 4.18Å; W457-L474 HydrophobicContact CE3-CD1 4.05Å; W457-L474 HydrophobicContact CE3-CD2 3.6Å; W457-L474 HydrophobicContact CE3-CG 4.48Å; W457-L474 HydrophobicContact CG-CD1 3.69Å; W457-L474 HydrophobicContact CZ3-CD2 3.99Å; A458-L474 HydrophobicContact CB-CB 3.98Å; A458-L474 HydrophobicContact CB-CD1 4.03Å; K470-L474 HydrophobicContact CG-CD1 4.31Å; K470-L474 VanDerWaalsContact O-CG 3.32Å; K470-L474 WeakPolarHBondContact O-CG 3.46Å; K470-L474 PolarHBondContact O-N 3.19Å; A471-L474 PolarHBondContact O-N 3.3Å; R472-L474 VanDerWaalsContact C-N 3.32Å; R472-L474 PolarHBondContact O-N 3.08Å; L474-N477 WeakPolarHBondContact O-CB 3.29Å; L474-N477 PolarHBondContact O-N 3.32Å; L474-I478 VanDerWaalsContact O-CG1 3.26Å; L474-I478 WeakPolarHBondContact O-CG1 3.37Å; L474-I478 PolarHBondContact O-N 3.38Å
475	W	96.3	Very high	93.7	Very high	1 Å²	1	56 Å²	56	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-39.4	178.1	-85.9	110.4	0	0	0	114.1	Q455 A471 R472 N477 I478 M479 M489 E492 Y493 L496	Q455-W475 HydrophobicContact CG-CH2 3.8Å; Q455-W475 HydrophobicContact CG-CZ2 4.09Å; Q455-W475 HydrophobicContact CG-CZ3 4.35Å; A471-W475 VanDerWaalsContact O-CD1 3.28Å; A471-W475 PolarHBondContact O-N 2.89Å; R472-W475 PolarHBondContact O-N 3.36Å; W475-N477 VanDerWaalsContact C-N 3.28Å; W475-N477 PolarHBondContact O-N 2.86Å; W475-I478 HydrophobicContact CD2-CD1 4Å; W475-I478 HydrophobicContact CE3-CB 4.14Å; W475-I478 HydrophobicContact CE3-CD1 3.85Å; W475-I478 HydrophobicContact CE3-CG2 4.03Å; W475-I478 HydrophobicContact CG-CD1 4.49Å; W475-I478 HydrophobicContact CZ3-CD1 4.22Å; W475-I478 HydrophobicContact CZ3-CG2 3.98Å; W475-I478 PolarHBondContact O-N 3.19Å; W475-M479 HydrophobicContact CE3-CE 4.03Å; W475-M479 HydrophobicContact CZ3-CE 4.18Å; W475-M479 WeakPolarHBondContact O-CB 3.16Å; W475-M479 WeakPolarHBondContact O-CG 3.49Å; W475-M479 PolarHBondContact O-N 2.99Å; W475-M489 WeakPolarHBondContact CZ3-O 3.24Å; W475-E492 HydrophobicContact CH2-CB 3.74Å; W475-E492 HydrophobicContact CZ2-CB 4.08Å; W475-Y493 HydrophobicContact CB-CD2 3.72Å; W475-Y493 HydrophobicContact CB-CE2 3.93Å; W475-Y493 HydrophobicContact CB-CG 4.09Å; W475-Y493 AromaticContact CD1-CD2 3.48Å; W475-Y493 VanDerWaalsContact CD1-CD2 3.48Å; W475-Y493 AromaticContact CD2-CD2 3.94Å; W475-Y493 HydrophobicContact CD2-CD2 3.94Å; W475-Y493 AromaticContact CD2-CG 4Å; W475-Y493 HydrophobicContact CD2-CG 4Å; W475-Y493 HydrophobicContact CE3-CG 4.38Å; W475-Y493 AromaticContact CG-CD2 3.42Å; W475-Y493 HydrophobicContact CG-CD2 3.42Å; W475-Y493 VanDerWaalsContact CG-CD2 3.42Å; W475-Y493 HydrophobicContact CG-CE2 4.06Å; W475-Y493 AromaticContact CG-CG 3.87Å; W475-Y493 HydrophobicContact CG-CG 3.87Å; W475-Y493 AromaticContact NE1-CD2 3.97Å; W475-L496 VanDerWaalsContact NE1-CD2 3.35Å
476	D	95.1	Very high	93.9	Very high	58 Å²	58	58.7 Å²	58.7	31%	0.31	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-34	174	-88.7	-43.3	0	0	0	111.8	R472 T480 R512	R472-D476 PolarHBondContact O-N 3.32Å; D476-T480 WeakPolarHBondContact O-CB 3.36Å; D476-T480 PolarHBondContact O-N 3.24Å; D476-T480 PolarHBondContact O-OG1 3.18Å; D476-R512 IonicContact OD1-CZ 3.77Å; D476-R512 IonicContact OD1-NH1 3.78Å; D476-R512 PolarHBondContact OD1-NH1 3.07Å; D476-R512 IonicContact OD1-NH2 3.33Å; D476-R512 PolarHBondContact OD1-NH2 3.45Å; D476-R512 IonicContact OD2-NH1 2.72Å
477	N	94.1	Very high	94	Very high	90 Å²	90	50.3 Å²	50.3	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-45.4	171.3	-73.8	-45.5	0	0	0	112.7	M454 E473 L474 W475 M479 T480 K481	M454-N477 HydrophobicContact CE-CB 3.7Å; E473-N477 PolarHBondContact O-N 2.88Å; E473-N477 PolarHBondContact O-ND2 2.97Å; L474-N477 WeakPolarHBondContact O-CB 3.29Å; L474-N477 PolarHBondContact O-N 3.32Å; W475-N477 VanDerWaalsContact C-N 3.28Å; W475-N477 PolarHBondContact O-N 2.86Å; N477-M479 VanDerWaalsContact C-N 3.32Å; N477-M479 PolarHBondContact O-N 3.5Å; N477-T480 PolarHBondContact O-N 3.06Å; N477-T480 VanDerWaalsContact O-N 3.16Å; N477-K481 PolarHBondContact O-N 3.23Å
478	I	95	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-48	175.5	-67	164.9	0	0	0	110.4	C451 M454 Q455 L474 W475 T480 K481 N483	C451-I478 HydrophobicContact CB-CB 4.42Å; C451-I478 HydrophobicContact CB-CG1 3.81Å; C451-I478 HydrophobicContact CB-CG2 4.18Å; M454-I478 HydrophobicContact CB-CD1 3.65Å; M454-I478 HydrophobicContact CB-CG1 3.66Å; M454-I478 HydrophobicContact CE-CG1 4.33Å; M454-I478 HydrophobicContact CG-CG1 4.47Å; M454-I478 HydrophobicContact SD-CG1 4.12Å; Q455-I478 HydrophobicContact CG-CD1 3.85Å; L474-I478 VanDerWaalsContact O-CG1 3.26Å; L474-I478 WeakPolarHBondContact O-CG1 3.37Å; L474-I478 PolarHBondContact O-N 3.38Å; W475-I478 HydrophobicContact CD2-CD1 4Å; W475-I478 HydrophobicContact CE3-CB 4.14Å; W475-I478 HydrophobicContact CE3-CD1 3.85Å; W475-I478 HydrophobicContact CE3-CG2 4.03Å; W475-I478 HydrophobicContact CG-CD1 4.49Å; W475-I478 HydrophobicContact CZ3-CD1 4.22Å; W475-I478 HydrophobicContact CZ3-CG2 3.98Å; W475-I478 PolarHBondContact O-N 3.19Å; I478-T480 VanDerWaalsContact C-N 3.31Å; I478-T480 PolarHBondContact O-N 3.49Å; I478-K481 PolarHBondContact O-N 3.49Å; I478-N483 HydrophobicContact CG2-CB 4.24Å; I478-N483 WeakPolarHBondContact O-CB 3.26Å
479	M	93.8	Very high	94.2	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-37.8	178.8	-69.5	-64	177	0	0	112.1	W475 N477 G482 A484 M489 W490 Y493	W475-M479 HydrophobicContact CE3-CE 4.03Å; W475-M479 HydrophobicContact CZ3-CE 4.18Å; W475-M479 WeakPolarHBondContact O-CB 3.16Å; W475-M479 WeakPolarHBondContact O-CG 3.49Å; W475-M479 PolarHBondContact O-N 2.99Å; N477-M479 VanDerWaalsContact C-N 3.32Å; N477-M479 PolarHBondContact O-N 3.5Å; M479-G482 PolarHBondContact O-N 3.26Å; M479-A484 HydrophobicContact CB-CB 4.09Å; M479-A484 WeakPolarHBondContact O-CB 3.45Å; M479-A484 PolarHBondContact O-N 2.93Å; M479-A484 VanDerWaalsContact SD-CA 3.59Å; M479-A484 HydrophobicContact SD-CB 3.97Å; M479-M489 HydrophobicContact CE-CB 4.14Å; M479-M489 WeakPolarHBondContact CE-O 3.32Å; M479-W490 HydrophobicContact CE-CD2 3.62Å; M479-W490 HydrophobicContact CE-CE3 3.68Å; M479-W490 HydrophobicContact CE-CG 4.04Å; M479-W490 HydrophobicContact CE-CH2 4.36Å; M479-W490 HydrophobicContact CE-CZ2 4.36Å; M479-W490 HydrophobicContact CE-CZ3 4.06Å; M479-W490 HydrophobicContact CG-CH2 4.24Å; M479-W490 HydrophobicContact CG-CZ2 4.37Å; M479-W490 HydrophobicContact SD-CD2 4.06Å; M479-W490 HydrophobicContact SD-CE3 4.41Å; M479-W490 HydrophobicContact SD-CH2 4.16Å; M479-W490 HydrophobicContact SD-CZ2 3.83Å; M479-W490 HydrophobicContact SD-CZ3 4.45Å; M479-Y493 HydrophobicContact CE-CD1 4.5Å
480	T	93.3	Very high	94.2	Very high	116 Å²	116	45.6 Å²	45.6	71%	0.712	23%	0.234	S	C	*	.	H	α-helix	trans	-69	-30.1	178.8	-59.1	0	0	0	0	112.7	D476 N477 I478 G482	D476-T480 WeakPolarHBondContact O-CB 3.36Å; D476-T480 PolarHBondContact O-N 3.24Å; D476-T480 PolarHBondContact O-OG1 3.18Å; N477-T480 PolarHBondContact O-N 3.06Å; N477-T480 VanDerWaalsContact O-N 3.16Å; I478-T480 VanDerWaalsContact C-N 3.31Å; I478-T480 PolarHBondContact O-N 3.49Å; T480-G482 PolarHBondContact O-N 2.82Å
481	K	89.1	Confident	94.3	Very high	114 Å²	114	44 Å²	44	50%	0.496	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	14.2	169.7	-81.3	-169.5	163.3	-157.8	0	114.4	C451 N477 I478	C451-K481 WeakPolarHBondContact SG-CD 3.42Å; N477-K481 PolarHBondContact O-N 3.23Å; I478-K481 PolarHBondContact O-N 3.49Å
482	G	89.4	Confident	94.2	Very high	39 Å²	39	47.3 Å²	47.3	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-0.4	174	0	0	0	0	0	115.2	M479 T480 A484 K485	M479-G482 PolarHBondContact O-N 3.26Å; T480-G482 PolarHBondContact O-N 2.82Å; G482-A484 VanDerWaalsContact C-N 3.29Å; G482-A484 PolarHBondContact O-N 3.25Å; G482-K485 WeakPolarHBondContact O-CG 3.45Å
483	N	93.4	Very high	94.3	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-74.9	-14.1	179.2	-75.9	-51.8	0	0	0	114.1	P449 I478 K485 Y486 M489	P449-N483 PolarHBondContact O-ND2 2.98Å; P449-N483 PolarHBondContact O-OD1 3.17Å; I478-N483 HydrophobicContact CG2-CB 4.24Å; I478-N483 WeakPolarHBondContact O-CB 3.26Å; N483-K485 PolarHBondContact O-N 3.25Å; N483-Y486 HydrophobicContact CB-CD2 4.46Å; N483-Y486 PolarHBondContact O-N 3.02Å; N483-Y486 VanDerWaalsContact O-N 3.08Å; N483-Y486 WeakPolarHBondContact OD1-CE2 3.37Å; N483-M489 HydrophobicContact CB-CG 4.04Å
484	A	93.9	Very high	94.2	Very high	23 Å²	23	43 Å²	43	19%	0.19	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.7	-9.1	175.7	0	0	0	0	0	115.7	M479 G482 W490 C516	M479-A484 HydrophobicContact CB-CB 4.09Å; M479-A484 WeakPolarHBondContact O-CB 3.45Å; M479-A484 PolarHBondContact O-N 2.93Å; M479-A484 VanDerWaalsContact SD-CA 3.59Å; M479-A484 HydrophobicContact SD-CB 3.97Å; G482-A484 VanDerWaalsContact C-N 3.29Å; G482-A484 PolarHBondContact O-N 3.25Å; A484-W490 HydrophobicContact CB-CZ2 4Å; A484-W490 PolarHBondContact O-NE1 2.93Å; A484-C516 HydrophobicContact CB-CB 4.33Å; A484-C516 CarbonylContact O-C 3.4Å; A484-C516 WeakPolarHBondContact O-CB 3.46Å
485	K	93.1	Very high	94.2	Very high	103 Å²	103	46 Å²	46	45%	0.448	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-83.3	-15.3	175.3	70.2	-167.5	177.8	176.9	0	114.3	G482 N483 S518	G482-K485 WeakPolarHBondContact O-CG 3.45Å; N483-K485 PolarHBondContact O-N 3.25Å; K485-S518 PolarHBondContact O-N 3.37Å
486	Y	94.9	Very high	94.1	Very high	89 Å²	89	46.5 Å²	46.5	35%	0.349	25%	0.249	S	C	.	.			trans	-100.8	138.1	-173.8	-54.7	-62.1	0	0	0	113.1	N483 N488 M489 D519	N483-Y486 HydrophobicContact CB-CD2 4.46Å; N483-Y486 PolarHBondContact O-N 3.02Å; N483-Y486 VanDerWaalsContact O-N 3.08Å; N483-Y486 WeakPolarHBondContact OD1-CE2 3.37Å; Y486-N488 VanDerWaalsContact CB-OD1 3.31Å; Y486-N488 WeakPolarHBondContact CB-OD1 3.37Å; Y486-M489 HydrophobicContact CD2-CG 4.28Å; Y486-D519 WeakPolarHBondContact CA-OD2 3.4Å
487	A	94.3	Very high	94.1	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-42.8	-178.5	0	0	0	0	0	112.6	M489 W490 L491 T517 D519 V524	A487-M489 VanDerWaalsContact C-N 3.35Å; A487-M489 PolarHBondContact O-N 2.86Å; A487-W490 PolarHBondContact O-N 3.48Å; A487-L491 VanDerWaalsContact O-CG 3.29Å; A487-L491 WeakPolarHBondContact O-CG 3.18Å; A487-L491 PolarHBondContact O-N 3.04Å; A487-T517 HydrophobicContact CB-CG2 3.72Å; A487-D519 WeakPolarHBondContact CB-OD1 3.27Å; A487-D519 VanDerWaalsContact N-CG 3.33Å; A487-D519 PolarHBondContact N-OD1 2.68Å; A487-D519 PolarHBondContact N-OD2 2.81Å; A487-V524 HydrophobicContact CB-CG2 3.74Å
488	N	94.8	Very high	94.1	Very high	88 Å²	88	45 Å²	45	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-60.4	-41.4	-178.2	61.3	-11.1	0	0	0	112.4	Y486 W490 L491 E492	Y486-N488 VanDerWaalsContact CB-OD1 3.31Å; Y486-N488 WeakPolarHBondContact CB-OD1 3.37Å; N488-W490 VanDerWaalsContact C-N 3.34Å; N488-W490 PolarHBondContact O-N 3.03Å; N488-L491 PolarHBondContact O-N 3.04Å; N488-E492 WeakPolarHBondContact O-CB 3.31Å; N488-E492 WeakPolarHBondContact O-CG 3.45Å; N488-E492 PolarHBondContact O-N 3.35Å
489	M	95.7	Very high	94.1	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-40.6	178.1	-63.2	-66.8	134.5	0	0	112	W475 M479 N483 Y486 A487 Y493	W475-M489 WeakPolarHBondContact CZ3-O 3.24Å; M479-M489 HydrophobicContact CE-CB 4.14Å; M479-M489 WeakPolarHBondContact CE-O 3.32Å; N483-M489 HydrophobicContact CB-CG 4.04Å; Y486-M489 HydrophobicContact CD2-CG 4.28Å; A487-M489 VanDerWaalsContact C-N 3.35Å; A487-M489 PolarHBondContact O-N 2.86Å; M489-Y493 PolarHBondContact O-N 3.33Å; M489-Y493 VanDerWaalsContact O-N 3.13Å
490	W	95.6	Very high	94.1	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-36.7	175.1	-78.8	112.3	0	0	0	113.1	M479 A484 A487 N488 Y493 Y494 R512 A513 C516	M479-W490 HydrophobicContact CE-CD2 3.62Å; M479-W490 HydrophobicContact CE-CE3 3.68Å; M479-W490 HydrophobicContact CE-CG 4.04Å; M479-W490 HydrophobicContact CE-CH2 4.36Å; M479-W490 HydrophobicContact CE-CZ2 4.36Å; M479-W490 HydrophobicContact CE-CZ3 4.06Å; M479-W490 HydrophobicContact CG-CH2 4.24Å; M479-W490 HydrophobicContact CG-CZ2 4.37Å; M479-W490 HydrophobicContact SD-CD2 4.06Å; M479-W490 HydrophobicContact SD-CE3 4.41Å; M479-W490 HydrophobicContact SD-CH2 4.16Å; M479-W490 HydrophobicContact SD-CZ2 3.83Å; M479-W490 HydrophobicContact SD-CZ3 4.45Å; A484-W490 HydrophobicContact CB-CZ2 4Å; A484-W490 PolarHBondContact O-NE1 2.93Å; A487-W490 PolarHBondContact O-N 3.48Å; N488-W490 VanDerWaalsContact C-N 3.34Å; N488-W490 PolarHBondContact O-N 3.03Å; W490-Y493 HydrophobicContact CE3-CD1 4.16Å; W490-Y493 HydrophobicContact CZ3-CD1 4.04Å; W490-Y493 HydrophobicContact CZ3-CE1 4.38Å; W490-Y494 VanDerWaalsContact O-CB 3.29Å; W490-Y494 WeakPolarHBondContact O-CB 3.48Å; W490-Y494 PolarHBondContact O-N 3.21Å; W490-R512 HydrophobicContact CH2-CB 3.52Å; W490-R512 HydrophobicContact CH2-CG 4.47Å; W490-R512 HydrophobicContact CZ2-CB 4.13Å; W490-R512 HydrophobicContact CZ3-CB 3.8Å; W490-A513 HydrophobicContact CB-CB 3.49Å; W490-A513 VanDerWaalsContact CB-CB 3.49Å; W490-A513 HydrophobicContact CD2-CB 3.49Å; W490-A513 VanDerWaalsContact CD2-CB 3.49Å; W490-A513 HydrophobicContact CE3-CB 3.83Å; W490-A513 HydrophobicContact CG-CB 3.33Å; W490-C516 HydrophobicContact CZ2-CB 4.12Å
491	L	94.9	Very high	94	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-34.1	179.7	-67.7	170.2	0	0	0	112.1	A487 N488 S495 H523 V524 V527	A487-L491 VanDerWaalsContact O-CG 3.29Å; A487-L491 WeakPolarHBondContact O-CG 3.18Å; A487-L491 PolarHBondContact O-N 3.04Å; N488-L491 PolarHBondContact O-N 3.04Å; L491-S495 VanDerWaalsContact O-CB 3.24Å; L491-S495 WeakPolarHBondContact O-CB 3.43Å; L491-S495 PolarHBondContact O-N 3.25Å; L491-H523 VanDerWaalsContact CD1-CD2 3.41Å; L491-H523 WeakPolarHBondContact CD1-CD2 3.43Å; L491-V524 HydrophobicContact CG-CG2 4.45Å; L491-V527 HydrophobicContact CD2-CB 3.97Å; L491-V527 HydrophobicContact CD2-CG1 3.84Å; L491-V527 HydrophobicContact CD2-CG2 3.82Å
492	E	95	Very high	94.1	Very high	69 Å²	69	45.6 Å²	45.6	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-46.3	170.1	-80.4	-69.1	174.9	0	0	112.2	R459 W475 N488 S495 L496	R459-E492 IonicContact CZ-OE2 3.06Å; R459-E492 IonicContact NE-OE2 3.29Å; R459-E492 IonicContact NH2-OE1 2.68Å; R459-E492 PolarHBondContact NH2-OE1 3.46Å; R459-E492 IonicContact NH2-OE2 3.83Å; R459-E492 PolarHBondContact NH2-OE2 3.15Å; W475-E492 HydrophobicContact CH2-CB 3.74Å; W475-E492 HydrophobicContact CZ2-CB 4.08Å; N488-E492 WeakPolarHBondContact O-CB 3.31Å; N488-E492 WeakPolarHBondContact O-CG 3.45Å; N488-E492 PolarHBondContact O-N 3.35Å; E492-S495 WeakPolarHBondContact O-CB 3.45Å; E492-S495 PolarHBondContact O-N 2.91Å; E492-L496 PolarHBondContact O-N 3.31Å
493	Y	96.1	Very high	94.1	Very high	11 Å²	11	47.6 Å²	47.6	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-45.6	174	176	-140	0	0	0	111.9	R472 W475 M479 M489 W490 S495 L496 E497 A509	R472-Y493 HydrophobicContact CG-CE2 4.47Å; W475-Y493 HydrophobicContact CB-CD2 3.72Å; W475-Y493 HydrophobicContact CB-CE2 3.93Å; W475-Y493 HydrophobicContact CB-CG 4.09Å; W475-Y493 AromaticContact CD1-CD2 3.48Å; W475-Y493 VanDerWaalsContact CD1-CD2 3.48Å; W475-Y493 AromaticContact CD2-CD2 3.94Å; W475-Y493 HydrophobicContact CD2-CD2 3.94Å; W475-Y493 AromaticContact CD2-CG 4Å; W475-Y493 HydrophobicContact CD2-CG 4Å; W475-Y493 HydrophobicContact CE3-CG 4.38Å; W475-Y493 AromaticContact CG-CD2 3.42Å; W475-Y493 HydrophobicContact CG-CD2 3.42Å; W475-Y493 VanDerWaalsContact CG-CD2 3.42Å; W475-Y493 HydrophobicContact CG-CE2 4.06Å; W475-Y493 AromaticContact CG-CG 3.87Å; W475-Y493 HydrophobicContact CG-CG 3.87Å; W475-Y493 AromaticContact NE1-CD2 3.97Å; M479-Y493 HydrophobicContact CE-CD1 4.5Å; M489-Y493 PolarHBondContact O-N 3.33Å; M489-Y493 VanDerWaalsContact O-N 3.13Å; W490-Y493 HydrophobicContact CE3-CD1 4.16Å; W490-Y493 HydrophobicContact CZ3-CD1 4.04Å; W490-Y493 HydrophobicContact CZ3-CE1 4.38Å; Y493-S495 VanDerWaalsContact C-N 3.33Å; Y493-S495 PolarHBondContact O-N 3.15Å; Y493-L496 PolarHBondContact O-N 3.39Å; Y493-E497 HydrophobicContact CE2-CB 4.36Å; Y493-E497 WeakPolarHBondContact O-CB 3.38Å; Y493-E497 PolarHBondContact O-N 3.42Å; Y493-A509 HydrophobicContact CD1-CB 3.96Å; Y493-A509 HydrophobicContact CE1-CB 3.71Å
494	Y	95.3	Very high	94.1	Very high	25 Å²	25	50.9 Å²	50.9	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-41.2	174.7	163.7	-113.8	0	0	0	112.3	W490 L496 E497 R498 C506 L510 V527 F531	W490-Y494 VanDerWaalsContact O-CB 3.29Å; W490-Y494 WeakPolarHBondContact O-CB 3.48Å; W490-Y494 PolarHBondContact O-N 3.21Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 3.43Å; Y494-E497 PolarHBondContact O-N 2.87Å; Y494-R498 HydrophobicContact CE2-CB 4.23Å; Y494-R498 WeakPolarHBondContact O-CB 3.45Å; Y494-R498 PolarHBondContact O-N 3.31Å; Y494-R498 PolarHBondContact OH-NH1 2.95Å; Y494-C506 HydrophobicContact CD2-CB 4.19Å; Y494-C506 HydrophobicContact CE2-CB 4.04Å; Y494-L510 HydrophobicContact CD1-CD2 4.03Å; Y494-L510 HydrophobicContact CD2-CD1 3.65Å; Y494-L510 HydrophobicContact CD2-CD2 4.07Å; Y494-L510 HydrophobicContact CD2-CG 3.73Å; Y494-L510 HydrophobicContact CE1-CD1 4.38Å; Y494-L510 HydrophobicContact CE2-CD1 3.49Å; Y494-L510 VanDerWaalsContact CE2-CD1 3.49Å; Y494-L510 HydrophobicContact CE2-CG 4.12Å; Y494-L510 HydrophobicContact CG-CD1 4.18Å; Y494-L510 HydrophobicContact CG-CD2 3.78Å; Y494-L510 HydrophobicContact CG-CG 3.97Å; Y494-V527 HydrophobicContact CD1-CG1 3.92Å; Y494-V527 HydrophobicContact CE1-CG1 3.53Å; Y494-F531 AromaticContact CE2-CD2 3.96Å; Y494-F531 HydrophobicContact CE2-CD2 3.96Å; Y494-F531 HydrophobicContact CE2-CE2 4.23Å; Y494-F531 WeakPolarHBondContact OH-CD2 3.48Å
495	S	95.2	Very high	94	Very high	67 Å²	67	52.2 Å²	52.2	47%	0.469	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176	-172.3	0	0	0	0	111.5	L491 E492 Y493 R498 A499	L491-S495 VanDerWaalsContact O-CB 3.24Å; L491-S495 WeakPolarHBondContact O-CB 3.43Å; L491-S495 PolarHBondContact O-N 3.25Å; E492-S495 WeakPolarHBondContact O-CB 3.45Å; E492-S495 PolarHBondContact O-N 2.91Å; Y493-S495 VanDerWaalsContact C-N 3.33Å; Y493-S495 PolarHBondContact O-N 3.15Å; S495-R498 PolarHBondContact O-N 2.93Å; S495-A499 WeakPolarHBondContact O-CB 3.49Å; S495-A499 PolarHBondContact O-N 3.49Å
496	L	94.9	Very high	94	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-45.1	176.7	-167.2	70.6	0	0	0	112.4	A458 R459 A462 M468 A471 W475 E492 Y493 Y494 R498 A499 Y500	A458-L496 HydrophobicContact CB-CD2 4.25Å; R459-L496 HydrophobicContact CB-CD1 4.49Å; R459-L496 HydrophobicContact CG-CD1 4.02Å; A462-L496 HydrophobicContact CB-CD1 3.96Å; A462-L496 HydrophobicContact CB-CD2 4.11Å; A462-L496 HydrophobicContact CB-CG 4.06Å; M468-L496 HydrophobicContact CE-CG 4.5Å; A471-L496 HydrophobicContact CB-CD2 4.21Å; W475-L496 VanDerWaalsContact NE1-CD2 3.35Å; E492-L496 PolarHBondContact O-N 3.31Å; Y493-L496 PolarHBondContact O-N 3.39Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 3.43Å; L496-R498 VanDerWaalsContact C-N 3.3Å; L496-R498 PolarHBondContact O-N 3.33Å; L496-A499 PolarHBondContact O-N 2.98Å; L496-Y500 HydrophobicContact CD1-CD2 3.72Å; L496-Y500 HydrophobicContact CD1-CE2 3.87Å; L496-Y500 HydrophobicContact CG-CD2 4.4Å; L496-Y500 PolarHBondContact O-N 3.13Å
497	E	95.1	Very high	94	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-32.6	178.4	-169.6	63.6	-119.9	0	0	112	M468 R472 Y493 Y494 G501 D502 H505 C506	M468-E497 HydrophobicContact CE-CB 4.13Å; M468-E497 HydrophobicContact CE-CG 4.42Å; M468-E497 WeakPolarHBondContact CE-OE2 3.41Å; R472-E497 IonicContact CZ-OE1 3.01Å; R472-E497 IonicContact CZ-OE2 2.73Å; R472-E497 IonicContact NE-OE1 3.46Å; R472-E497 PolarHBondContact NE-OE1 3.32Å; R472-E497 IonicContact NE-OE2 2.68Å; R472-E497 PolarHBondContact NE-OE2 3.36Å; R472-E497 IonicContact NH2-OE1 3.68Å; R472-E497 PolarHBondContact NH2-OE1 3.13Å; R472-E497 IonicContact NH2-OE2 3.59Å; Y493-E497 HydrophobicContact CE2-CB 4.36Å; Y493-E497 WeakPolarHBondContact O-CB 3.38Å; Y493-E497 PolarHBondContact O-N 3.42Å; Y494-E497 PolarHBondContact O-N 2.87Å; E497-G501 CarbonylContact O-C 3.59Å; E497-G501 WeakPolarHBondContact O-CA 3.33Å; E497-G501 PolarHBondContact O-N 3.17Å; E497-G501 WeakPolarHBondContact OE1-CA 3.49Å; E497-D502 PolarHBondContact OE1-N 3.47Å; E497-H505 HydrophobicContact CG-CB 3.74Å; E497-H505 VanDerWaalsContact OE1-CB 3.22Å; E497-H505 WeakPolarHBondContact OE1-CB 3.46Å; E497-C506 VanDerWaalsContact C-SG 3.55Å
498	R	93.4	Very high	94	Very high	114 Å²	114	50.2 Å²	50.2	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-71.1	-32	172.5	-176.3	178.8	-173.7	70.2	19.1	113.1	Y494 S495 L496 E535	Y494-R498 HydrophobicContact CE2-CB 4.23Å; Y494-R498 WeakPolarHBondContact O-CB 3.45Å; Y494-R498 PolarHBondContact O-N 3.31Å; Y494-R498 PolarHBondContact OH-NH1 2.95Å; S495-R498 PolarHBondContact O-N 2.93Å; L496-R498 VanDerWaalsContact C-N 3.3Å; L496-R498 PolarHBondContact O-N 3.33Å; R498-E535 IonicContact CZ-OE1 2.74Å; R498-E535 IonicContact CZ-OE2 3.79Å; R498-E535 IonicContact NH1-OE1 2.69Å; R498-E535 IonicContact NH1-OE2 3.67Å; R498-E535 PolarHBondContact NH1-OE2 2.79Å; R498-E535 IonicContact NH2-OE1 3.86Å; R498-E535 PolarHBondContact NH2-OE1 3Å; R498-E535 IonicContact NH2-OE2 2.66Å; R498-E535 PolarHBondContact NH2-OE2 3.38Å
499	A	94.3	Very high	93.9	Very high	59 Å²	59	46.2 Å²	46.2	49%	0.488	24%	0.239	S	C	.	.	H	α-helix	trans	-83.3	-38.1	-176.6	0	0	0	0	0	113.6	S495 L496	S495-A499 WeakPolarHBondContact O-CB 3.49Å; S495-A499 PolarHBondContact O-N 3.49Å; L496-A499 PolarHBondContact O-N 2.98Å
500	Y	93.8	Very high	93.9	Very high	102 Å²	102	45.4 Å²	45.4	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-132.2	-3.9	-171.2	-49.3	-63.1	0	0	0	114.7	A462 H463 L496	A462-Y500 HydrophobicContact CB-CD2 3.92Å; A462-Y500 HydrophobicContact CB-CG 4.32Å; H463-Y500 HydrophobicContact CB-CD2 4.35Å; H463-Y500 HydrophobicContact CB-CE1 4.22Å; H463-Y500 HydrophobicContact CB-CE2 3.77Å; H463-Y500 AromaticContact CG-CZ 3.7Å; H463-Y500 AromaticContact ND1-CE1 3.37Å; H463-Y500 WeakPolarHBondContact ND1-CE1 3.44Å; H463-Y500 AromaticContact ND1-CZ 3.33Å; H463-Y500 VanDerWaalsContact ND1-CZ 3.33Å; H463-Y500 PolarHBondContact ND1-OH 3.31Å; H463-Y500 VanDerWaalsContact ND1-OH 3.1Å; L496-Y500 HydrophobicContact CD1-CD2 3.72Å; L496-Y500 HydrophobicContact CD1-CE2 3.87Å; L496-Y500 HydrophobicContact CG-CD2 4.4Å; L496-Y500 PolarHBondContact O-N 3.13Å
501	G	91.9	Very high	93.8	Very high	33 Å²	33	46.8 Å²	46.8	34%	0.34	24%	0.241	S	C	.	.	S	Bend	trans	-105.3	-138.4	-175.7	0	0	0	0	0	113.6	E497	E497-G501 CarbonylContact O-C 3.59Å; E497-G501 WeakPolarHBondContact O-CA 3.33Å; E497-G501 PolarHBondContact O-N 3.17Å; E497-G501 WeakPolarHBondContact OE1-CA 3.49Å
502	D	91	Very high	93.8	Very high	57 Å²	57	49.8 Å²	49.8	31%	0.305	25%	0.25	S	S	.	.			trans	-139.3	157.7	179.9	71.2	77	0	0	0	114.6	R472 E497 T504 H505 C506	R472-D502 IonicContact CZ-OD2 2.69Å; R472-D502 IonicContact NH2-OD2 2.78Å; R472-D502 PolarHBondContact NH2-OD2 3.2Å; E497-D502 PolarHBondContact OE1-N 3.47Å; D502-T504 PolarHBondContact O-N 3.41Å; D502-T504 VanDerWaalsContact O-N 3.16Å; D502-T504 WeakPolarHBondContact OD1-CA 3.32Å; D502-T504 WeakPolarHBondContact OD1-CB 3.2Å; D502-T504 PolarHBondContact OD1-N 3.38Å; D502-T504 PolarHBondContact OD1-OG1 3.14Å; D502-H505 PolarHBondContact O-N 2.82Å; D502-H505 VanDerWaalsContact O-N 3.09Å; D502-H505 IonicContact OD1-CG 3.32Å; D502-H505 PolarHBondContact OD1-N 3.14Å; D502-H505 IonicContact OD1-ND1 3.42Å; D502-H505 PolarHBondContact OD1-ND1 3.21Å; D502-H505 IonicContact OD2-CE1 3.85Å; D502-H505 IonicContact OD2-CG 2.69Å; D502-H505 IonicContact OD2-ND1 2.73Å; D502-H505 PolarHBondContact OD2-ND1 2.8Å; D502-C506 PolarHBondContact O-N 2.98Å; D502-C506 PolarHBondContact O-SG 3.05Å; D502-C506 VanDerWaalsContact O-SG 3.33Å
503	M	89.5	Confident	93.7	Very high	82 Å²	82	46.5 Å²	46.5	40%	0.404	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-29.6	-175.8	-150.1	65.4	77.9	0	0	113.2	R507 F531 E535	M503-R507 PolarHBondContact O-N 3.43Å; M503-R507 VanDerWaalsContact O-N 3.11Å; M503-F531 HydrophobicContact CG-CE2 4.34Å; M503-F531 HydrophobicContact CG-CZ 3.93Å; M503-F531 HydrophobicContact SD-CE2 3.4Å; M503-F531 WeakPolarHBondContact SD-CE2 3.45Å; M503-F531 HydrophobicContact SD-CZ 3.61Å; M503-E535 HydrophobicContact CE-CB 4.05Å; M503-E535 HydrophobicContact CE-CG 3.85Å; M503-E535 HydrophobicContact SD-CB 3.91Å; M503-E535 HydrophobicContact SD-CG 4.22Å
504	T	92.7	Very high	93.6	Very high	76 Å²	76	46.2 Å²	46.2	47%	0.466	23%	0.234	S	C	.	.	H	α-helix	trans	-75	-35.5	179.9	84	0	0	0	0	111.3	D502 K508	D502-T504 PolarHBondContact O-N 3.41Å; D502-T504 VanDerWaalsContact O-N 3.16Å; D502-T504 WeakPolarHBondContact OD1-CA 3.32Å; D502-T504 WeakPolarHBondContact OD1-CB 3.2Å; D502-T504 PolarHBondContact OD1-N 3.38Å; D502-T504 PolarHBondContact OD1-OG1 3.14Å; T504-K508 WeakPolarHBondContact O-CD 3.31Å; T504-K508 WeakPolarHBondContact O-CG 3.37Å; T504-K508 PolarHBondContact O-N 3.48Å; T504-K508 VanDerWaalsContact O-N 3.11Å; T504-K508 PolarHBondContact OG1-NZ 2.83Å
505	H	93.4	Very high	93.5	Very high	51 Å²	51	51.3 Å²	51.3	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-78	-33.4	175.8	-69.9	93.5	0	0	0	111.8	R472 E497 D502 R507 K508 A509	R472-H505 PolarHBondContact NH2-ND1 3.12Å; E497-H505 HydrophobicContact CG-CB 3.74Å; E497-H505 VanDerWaalsContact OE1-CB 3.22Å; E497-H505 WeakPolarHBondContact OE1-CB 3.46Å; D502-H505 PolarHBondContact O-N 2.82Å; D502-H505 VanDerWaalsContact O-N 3.09Å; D502-H505 IonicContact OD1-CG 3.32Å; D502-H505 PolarHBondContact OD1-N 3.14Å; D502-H505 IonicContact OD1-ND1 3.42Å; D502-H505 PolarHBondContact OD1-ND1 3.21Å; D502-H505 IonicContact OD2-CE1 3.85Å; D502-H505 IonicContact OD2-CG 2.69Å; D502-H505 IonicContact OD2-ND1 2.73Å; D502-H505 PolarHBondContact OD2-ND1 2.8Å; H505-R507 PolarHBondContact O-N 3.35Å; H505-K508 PolarHBondContact CE1-NZ 3.06Å; H505-K508 PolarHBondContact NE2-NZ 3.24Å; H505-K508 PolarHBondContact O-N 3.03Å; H505-A509 VanDerWaalsContact O-CB 3.29Å; H505-A509 WeakPolarHBondContact O-CB 3.27Å; H505-A509 PolarHBondContact O-N 3.28Å
506	C	93.1	Very high	93.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-53.7	-52.6	166.5	-68.1	0	0	0	0	111.9	Y494 E497 D502 K508 A509 L510 F531	Y494-C506 HydrophobicContact CD2-CB 4.19Å; Y494-C506 HydrophobicContact CE2-CB 4.04Å; E497-C506 VanDerWaalsContact C-SG 3.55Å; D502-C506 PolarHBondContact O-N 2.98Å; D502-C506 PolarHBondContact O-SG 3.05Å; D502-C506 VanDerWaalsContact O-SG 3.33Å; C506-K508 PolarHBondContact O-N 3.47Å; C506-A509 PolarHBondContact O-N 2.84Å; C506-L510 PolarHBondContact O-N 3.44Å; C506-F531 HydrophobicContact CB-CE1 4.48Å; C506-F531 HydrophobicContact CB-CE2 3.66Å; C506-F531 HydrophobicContact CB-CZ 3.56Å
507	R	94.1	Very high	93.3	Very high	51 Å²	51	50.1 Å²	50.1	19%	0.192	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-45.4	177.3	-173.3	164.9	-63.9	139.4	14.9	112.6	M503 H505 H511 F531 E532 D540	M503-R507 PolarHBondContact O-N 3.43Å; M503-R507 VanDerWaalsContact O-N 3.11Å; H505-R507 PolarHBondContact O-N 3.35Å; R507-H511 WeakPolarHBondContact O-CB 3.27Å; R507-H511 PolarHBondContact O-N 3.39Å; R507-F531 HydrophobicContact CB-CE1 3.91Å; R507-F531 HydrophobicContact CB-CZ 4.42Å; R507-F531 HydrophobicContact CG-CE1 4.5Å; R507-E532 WeakPolarHBondContact CD-OE1 3.39Å; R507-E532 WeakPolarHBondContact CG-OE1 3.29Å; R507-E532 IonicContact CZ-OE1 2.8Å; R507-E532 IonicContact CZ-OE2 3.27Å; R507-E532 IonicContact NE-OE1 3.65Å; R507-E532 PolarHBondContact NE-OE1 3.17Å; R507-E532 IonicContact NE-OE2 3.59Å; R507-E532 PolarHBondContact NE-OE2 3.32Å; R507-E532 IonicContact NH2-OE1 2.76Å; R507-E532 IonicContact NH2-OE2 3.61Å; R507-E532 PolarHBondContact NH2-OE2 3.17Å; R507-D540 WeakPolarHBondContact CD-OD1 3.48Å; R507-D540 IonicContact CZ-OD1 2.65Å; R507-D540 IonicContact CZ-OD2 3.74Å; R507-D540 IonicContact NE-OD1 3.28Å; R507-D540 PolarHBondContact NE-OD1 2.88Å; R507-D540 IonicContact NH1-OD1 3.19Å; R507-D540 PolarHBondContact NH1-OD1 3.28Å; R507-D540 IonicContact NH1-OD2 3.69Å; R507-D540 PolarHBondContact NH1-OD2 2.88Å; R507-D540 IonicContact NH2-OD2 2.69Å
508	K	93.9	Very high	93	Very high	102 Å²	102	54 Å²	54	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.1	-70.5	162.1	-166.4	154.8	0	111.8	T504 H505 C506 H511 R512	T504-K508 WeakPolarHBondContact O-CD 3.31Å; T504-K508 WeakPolarHBondContact O-CG 3.37Å; T504-K508 PolarHBondContact O-N 3.48Å; T504-K508 VanDerWaalsContact O-N 3.11Å; T504-K508 PolarHBondContact OG1-NZ 2.83Å; H505-K508 PolarHBondContact CE1-NZ 3.06Å; H505-K508 PolarHBondContact NE2-NZ 3.24Å; H505-K508 PolarHBondContact O-N 3.03Å; C506-K508 PolarHBondContact O-N 3.47Å; K508-H511 PolarHBondContact O-N 3.25Å; K508-R512 WeakPolarHBondContact O-CG 3.27Å; K508-R512 PolarHBondContact O-N 3.12Å
509	A	94.1	Very high	92.9	Very high	3 Å²	3	51 Å²	51	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-50.3	179.7	0	0	0	0	0	111	Y493 H505 C506 H511 R512 A513	Y493-A509 HydrophobicContact CD1-CB 3.96Å; Y493-A509 HydrophobicContact CE1-CB 3.71Å; H505-A509 VanDerWaalsContact O-CB 3.29Å; H505-A509 WeakPolarHBondContact O-CB 3.27Å; H505-A509 PolarHBondContact O-N 3.28Å; C506-A509 PolarHBondContact O-N 2.84Å; A509-H511 PolarHBondContact O-N 3.43Å; A509-R512 PolarHBondContact O-N 3.02Å; A509-A513 WeakPolarHBondContact O-CB 3.46Å; A509-A513 PolarHBondContact O-N 3.44Å
510	L	94.3	Very high	92.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-36.6	178.4	-70.1	170.8	0	0	0	112.9	Y494 C506 A513 V514 V527 L528 F531	Y494-L510 HydrophobicContact CD1-CD2 4.03Å; Y494-L510 HydrophobicContact CD2-CD1 3.65Å; Y494-L510 HydrophobicContact CD2-CD2 4.07Å; Y494-L510 HydrophobicContact CD2-CG 3.73Å; Y494-L510 HydrophobicContact CE1-CD1 4.38Å; Y494-L510 HydrophobicContact CE2-CD1 3.49Å; Y494-L510 VanDerWaalsContact CE2-CD1 3.49Å; Y494-L510 HydrophobicContact CE2-CG 4.12Å; Y494-L510 HydrophobicContact CG-CD1 4.18Å; Y494-L510 HydrophobicContact CG-CD2 3.78Å; Y494-L510 HydrophobicContact CG-CG 3.97Å; C506-L510 PolarHBondContact O-N 3.44Å; L510-A513 WeakPolarHBondContact O-CB 3.49Å; L510-A513 PolarHBondContact O-N 3.03Å; L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 2.92Å; L510-V527 HydrophobicContact CD1-CG1 4.46Å; L510-V527 HydrophobicContact CD2-CG1 3.84Å; L510-L528 HydrophobicContact CB-CB 4.26Å; L510-L528 HydrophobicContact CB-CD1 3.77Å; L510-L528 HydrophobicContact CD1-CD1 4.37Å; L510-F531 HydrophobicContact CD1-CB 3.87Å; L510-F531 HydrophobicContact CD1-CD1 3.92Å; L510-F531 HydrophobicContact CD1-CD2 4.34Å; L510-F531 HydrophobicContact CD1-CG 3.79Å
511	H	93.8	Very high	92.8	Very high	32 Å²	32	51 Å²	51	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-39.3	172.2	-80.8	-10.8	0	0	0	113.4	R507 K508 A509 Q515 L528 K547	R507-H511 WeakPolarHBondContact O-CB 3.27Å; R507-H511 PolarHBondContact O-N 3.39Å; K508-H511 PolarHBondContact O-N 3.25Å; A509-H511 PolarHBondContact O-N 3.43Å; H511-Q515 WeakPolarHBondContact O-CG 3.29Å; H511-L528 WeakPolarHBondContact ND1-CD2 3.47Å; H511-K547 PolarHBondContact CD2-NZ 2.92Å; H511-K547 VanDerWaalsContact CD2-NZ 3.27Å; H511-K547 PolarHBondContact NE2-NZ 3.32Å
512	R	94.4	Very high	92.8	Very high	95 Å²	95	52.8 Å²	52.8	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-44.5	170.8	-72.7	171.1	70	-175.4	-2.1	110.4	D476 W490 K508 A509 V514 Q515 C516	D476-R512 IonicContact OD1-CZ 3.77Å; D476-R512 IonicContact OD1-NH1 3.78Å; D476-R512 PolarHBondContact OD1-NH1 3.07Å; D476-R512 IonicContact OD1-NH2 3.33Å; D476-R512 PolarHBondContact OD1-NH2 3.45Å; D476-R512 IonicContact OD2-NH1 2.72Å; W490-R512 HydrophobicContact CH2-CB 3.52Å; W490-R512 HydrophobicContact CH2-CG 4.47Å; W490-R512 HydrophobicContact CZ2-CB 4.13Å; W490-R512 HydrophobicContact CZ3-CB 3.8Å; K508-R512 WeakPolarHBondContact O-CG 3.27Å; K508-R512 PolarHBondContact O-N 3.12Å; A509-R512 PolarHBondContact O-N 3.02Å; R512-V514 PolarHBondContact O-N 3.36Å; R512-Q515 PolarHBondContact O-N 3.02Å; R512-Q515 VanDerWaalsContact O-N 3.08Å; R512-C516 PolarHBondContact O-N 3.19Å; R512-C516 PolarHBondContact O-SG 3.37Å
513	A	94.1	Very high	92.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-49.3	180	0	0	0	0	0	112.6	W490 A509 L510 Q515 C516 T517 V524	W490-A513 HydrophobicContact CB-CB 3.49Å; W490-A513 VanDerWaalsContact CB-CB 3.49Å; W490-A513 HydrophobicContact CD2-CB 3.49Å; W490-A513 VanDerWaalsContact CD2-CB 3.49Å; W490-A513 HydrophobicContact CE3-CB 3.83Å; W490-A513 HydrophobicContact CG-CB 3.33Å; A509-A513 WeakPolarHBondContact O-CB 3.46Å; A509-A513 PolarHBondContact O-N 3.44Å; L510-A513 WeakPolarHBondContact O-CB 3.49Å; L510-A513 PolarHBondContact O-N 3.03Å; A513-Q515 PolarHBondContact O-N 2.78Å; A513-C516 PolarHBondContact O-N 3.1Å; A513-T517 WeakPolarHBondContact O-CB 3.43Å; A513-T517 PolarHBondContact O-N 3.07Å; A513-T517 PolarHBondContact O-OG1 2.94Å; A513-V524 HydrophobicContact CB-CG1 3.39Å
514	V	93.9	Very high	93.2	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-34.5	176.6	169.5	0	0	0	0	111.9	L510 R512 V524 L528 T548 R551	L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 2.92Å; R512-V514 PolarHBondContact O-N 3.36Å; V514-V524 HydrophobicContact CG2-CG1 3.92Å; V514-L528 HydrophobicContact CG2-CB 4.38Å; V514-L528 HydrophobicContact CG2-CD2 3.81Å; V514-T548 HydrophobicContact CG2-CG2 4.36Å; V514-R551 HydrophobicContact CG1-CB 3.9Å; V514-R551 HydrophobicContact CG1-CG 3.9Å; V514-R551 WeakPolarHBondContact O-CD 3.48Å; V514-R551 WeakPolarHBondContact O-CG 3.48Å; V514-R551 PolarHBondContact O-NE 3.09Å
515	Q	91.9	Very high	93.3	Very high	133 Å²	133	47.1 Å²	47.1	62%	0.621	22%	0.224	S	C	*	.	H	α-helix	trans	-76.6	-42.2	179.2	-66.3	179.1	-0.5	0	0	112.9	H511 R512 A513 R551	H511-Q515 WeakPolarHBondContact O-CG 3.29Å; R512-Q515 PolarHBondContact O-N 3.02Å; R512-Q515 VanDerWaalsContact O-N 3.08Å; A513-Q515 PolarHBondContact O-N 2.78Å; Q515-R551 PolarHBondContact O-NH2 3.04Å
516	C	92.5	Very high	93.3	Very high	53 Å²	53	50.3 Å²	50.3	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-90	-32.9	-172.4	-60	0	0	0	0	114.5	A484 W490 R512 A513 S518	A484-C516 HydrophobicContact CB-CB 4.33Å; A484-C516 CarbonylContact O-C 3.4Å; A484-C516 WeakPolarHBondContact O-CB 3.46Å; W490-C516 HydrophobicContact CZ2-CB 4.12Å; R512-C516 PolarHBondContact O-N 3.19Å; R512-C516 PolarHBondContact O-SG 3.37Å; A513-C516 PolarHBondContact O-N 3.1Å; C516-S518 PolarHBondContact O-N 2.96Å; C516-S518 PolarHBondContact O-OG 3.07Å; C516-S518 VanDerWaalsContact O-OG 3.13Å
517	T	93.6	Very high	93.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.			trans	-57.9	134	-178.1	-58.5	0	0	0	0	111.2	A487 A513 D519 P521 V524 R551	A487-T517 HydrophobicContact CB-CG2 3.72Å; A513-T517 WeakPolarHBondContact O-CB 3.43Å; A513-T517 PolarHBondContact O-N 3.07Å; A513-T517 PolarHBondContact O-OG1 2.94Å; T517-D519 VanDerWaalsContact CG2-OD1 3.22Å; T517-D519 WeakPolarHBondContact CG2-OD1 3.47Å; T517-P521 HydrophobicContact CG2-CB 4.41Å; T517-V524 HydrophobicContact CG2-CG2 3.92Å; T517-R551 PolarHBondContact O-NH2 3.11Å
518	S	89.7	Confident	93.5	Very high	84 Å²	84	49.1 Å²	49.1	59%	0.587	24%	0.237	S	C	*	.			trans	-129.8	-19.4	-172.4	-62.6	0	0	0	0	114.2	K485 C516	K485-S518 PolarHBondContact O-N 3.37Å; C516-S518 PolarHBondContact O-N 2.96Å; C516-S518 PolarHBondContact O-OG 3.07Å; C516-S518 VanDerWaalsContact O-OG 3.13Å
519	D	91.5	Very high	93.5	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	23%	0.225	S	C	.	.	S	Bend	trans	-84.5	-66.7	177.4	55.9	-15.7	0	0	0	112.2	Y486 A487 T517 P521	Y486-D519 WeakPolarHBondContact CA-OD2 3.4Å; A487-D519 WeakPolarHBondContact CB-OD1 3.27Å; A487-D519 VanDerWaalsContact N-CG 3.33Å; A487-D519 PolarHBondContact N-OD1 2.68Å; A487-D519 PolarHBondContact N-OD2 2.81Å; T517-D519 VanDerWaalsContact CG2-OD1 3.22Å; T517-D519 WeakPolarHBondContact CG2-OD1 3.47Å; D519-P521 WeakPolarHBondContact O-CD 3.42Å
520	Y	92.3	Very high	93.6	Very high	159 Å²	159	49.5 Å²	49.5	62%	0.624	25%	0.246	S	C	*	.	S	Bend	trans	-122	61	-176.4	-58.7	-74.5	0	0	0	111.4	E522 H523	Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 3.46Å; Y520-H523 PolarHBondContact O-N 3.36Å
521	P	92.4	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-30.8	-175.7	29.7	-37.2	0	0	0	112.5	T517 D519 H523 V524 C525 I555	T517-P521 HydrophobicContact CG2-CB 4.41Å; D519-P521 WeakPolarHBondContact O-CD 3.42Å; P521-H523 PolarHBondContact O-N 3.46Å; P521-V524 PolarHBondContact O-N 3.2Å; P521-C525 PolarHBondContact O-N 3.06Å; P521-C525 PolarHBondContact O-SG 3.28Å; P521-I555 HydrophobicContact CB-CD1 3.46Å; P521-I555 VanDerWaalsContact CB-CD1 3.46Å; P521-I555 HydrophobicContact CG-CD1 3.45Å; P521-I555 VanDerWaalsContact CG-CD1 3.45Å; P521-I555 HydrophobicContact CG-CG2 4.23Å
522	E	92.4	Very high	93.6	Very high	71 Å²	71	48.2 Å²	48.2	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-56.3	-48.5	173.8	-71.4	105.8	138.9	0	0	112.4	Y520 V524 C525 E526 L552 R559	Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 3.46Å; E522-V524 VanDerWaalsContact C-N 3.33Å; E522-V524 PolarHBondContact O-N 3.24Å; E522-C525 WeakPolarHBondContact O-CA 3.13Å; E522-C525 WeakPolarHBondContact O-CB 3.14Å; E522-C525 PolarHBondContact O-N 3.47Å; E522-E526 WeakPolarHBondContact O-CG 3.19Å; E522-E526 PolarHBondContact O-N 2.97Å; E522-L552 HydrophobicContact CG-CD2 3.86Å; E522-R559 IonicContact OE1-CZ 3.32Å; E522-R559 IonicContact OE1-NH1 2.65Å; E522-R559 PolarHBondContact OE1-NH1 3.11Å; E522-R559 IonicContact OE1-NH2 3.1Å; E522-R559 PolarHBondContact OE1-NH2 3.4Å; E522-R559 IonicContact OE2-CZ 3.7Å; E522-R559 IonicContact OE2-NH1 3.8Å; E522-R559 PolarHBondContact OE2-NH1 2.93Å; E522-R559 IonicContact OE2-NH2 2.72Å; E522-R559 PolarHBondContact OE2-NH2 3.44Å
523	H	94.5	Very high	93.6	Very high	94 Å²	94	51.5 Å²	51.5	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-39.7	-175.4	-171.6	42.9	0	0	0	111.9	L491 Y520 P521 C525 E526 V527	L491-H523 VanDerWaalsContact CD1-CD2 3.41Å; L491-H523 WeakPolarHBondContact CD1-CD2 3.43Å; Y520-H523 PolarHBondContact O-N 3.36Å; P521-H523 PolarHBondContact O-N 3.46Å; H523-C525 VanDerWaalsContact C-N 3.34Å; H523-C525 PolarHBondContact O-N 2.92Å; H523-E526 IonicContact ND1-OE2 2.73Å; H523-E526 PolarHBondContact O-N 3.39Å; H523-V527 WeakPolarHBondContact O-CG2 3.29Å; H523-V527 PolarHBondContact O-N 3.05Å
524	V	94.6	Very high	93.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-35.5	174.3	178.7	0	0	0	0	111.7	A487 L491 A513 V514 T517 P521 E522 L528	A487-V524 HydrophobicContact CB-CG2 3.74Å; L491-V524 HydrophobicContact CG-CG2 4.45Å; A513-V524 HydrophobicContact CB-CG1 3.39Å; V514-V524 HydrophobicContact CG2-CG1 3.92Å; T517-V524 HydrophobicContact CG2-CG2 3.92Å; P521-V524 PolarHBondContact O-N 3.2Å; E522-V524 VanDerWaalsContact C-N 3.33Å; E522-V524 PolarHBondContact O-N 3.24Å; V524-L528 PolarHBondContact O-N 3.48Å
525	C	94	Very high	93.3	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-44.3	172.6	-66.7	0	0	0	0	111.7	P521 E522 H523 V527 L528 L529 T548 L552	P521-C525 PolarHBondContact O-N 3.06Å; P521-C525 PolarHBondContact O-SG 3.28Å; E522-C525 WeakPolarHBondContact O-CA 3.13Å; E522-C525 WeakPolarHBondContact O-CB 3.14Å; E522-C525 PolarHBondContact O-N 3.47Å; H523-C525 VanDerWaalsContact C-N 3.34Å; H523-C525 PolarHBondContact O-N 2.92Å; C525-V527 VanDerWaalsContact C-N 3.34Å; C525-V527 PolarHBondContact O-N 2.99Å; C525-L528 PolarHBondContact O-N 2.99Å; C525-L529 WeakPolarHBondContact O-CG 3.23Å; C525-L529 PolarHBondContact O-N 3.47Å; C525-T548 HydrophobicContact CB-CG2 3.52Å; C525-L552 HydrophobicContact CB-CD1 4.22Å
526	E	95.3	Very high	93.2	Very high	118 Å²	118	54.6 Å²	54.6	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-61.6	-39.9	176.5	-71.1	-179.2	151.7	0	0	112.4	E522 H523 L529 T530	E522-E526 WeakPolarHBondContact O-CG 3.19Å; E522-E526 PolarHBondContact O-N 2.97Å; H523-E526 IonicContact ND1-OE2 2.73Å; H523-E526 PolarHBondContact O-N 3.39Å; E526-L529 PolarHBondContact O-N 3.43Å; E526-T530 VanDerWaalsContact O-CB 3.27Å; E526-T530 WeakPolarHBondContact O-CB 3.29Å; E526-T530 PolarHBondContact O-N 2.89Å; E526-T530 PolarHBondContact O-OG1 2.81Å
527	V	95	Very high	93.2	Very high	28 Å²	28	55.9 Å²	55.9	17%	0.17	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-42	176.1	173	0	0	0	0	111.3	L491 Y494 L510 H523 C525 T530 F531	L491-V527 HydrophobicContact CD2-CB 3.97Å; L491-V527 HydrophobicContact CD2-CG1 3.84Å; L491-V527 HydrophobicContact CD2-CG2 3.82Å; Y494-V527 HydrophobicContact CD1-CG1 3.92Å; Y494-V527 HydrophobicContact CE1-CG1 3.53Å; L510-V527 HydrophobicContact CD1-CG1 4.46Å; L510-V527 HydrophobicContact CD2-CG1 3.84Å; H523-V527 WeakPolarHBondContact O-CG2 3.29Å; H523-V527 PolarHBondContact O-N 3.05Å; C525-V527 VanDerWaalsContact C-N 3.34Å; C525-V527 PolarHBondContact O-N 2.99Å; V527-T530 PolarHBondContact O-N 2.89Å; V527-F531 VanDerWaalsContact O-CB 3.29Å; V527-F531 WeakPolarHBondContact O-CB 3.47Å; V527-F531 PolarHBondContact O-N 2.97Å
528	L	95.1	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-46.4	173.5	174.8	63	0	0	0	112.1	L510 H511 V514 V524 C525 F531 E532 A544 T548	L510-L528 HydrophobicContact CB-CB 4.26Å; L510-L528 HydrophobicContact CB-CD1 3.77Å; L510-L528 HydrophobicContact CD1-CD1 4.37Å; H511-L528 WeakPolarHBondContact ND1-CD2 3.47Å; V514-L528 HydrophobicContact CG2-CB 4.38Å; V514-L528 HydrophobicContact CG2-CD2 3.81Å; V524-L528 PolarHBondContact O-N 3.48Å; C525-L528 PolarHBondContact O-N 2.99Å; L528-F531 WeakPolarHBondContact O-CB 3.4Å; L528-F531 PolarHBondContact O-N 2.93Å; L528-E532 HydrophobicContact CD1-CG 4.16Å; L528-E532 PolarHBondContact O-N 3.45Å; L528-A544 HydrophobicContact CD1-CB 4.43Å; L528-A544 HydrophobicContact CD2-CB 4.08Å; L528-A544 HydrophobicContact CG-CB 3.98Å; L528-T548 HydrophobicContact CD2-CG2 4.03Å
529	L	94.6	Very high	93.3	Very high	35 Å²	35	65.4 Å²	65.4	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-42.6	177	-68.3	175.7	0	0	0	111.3	C525 E526 F531 E532 R533 W541 A544 V545 T548	C525-L529 WeakPolarHBondContact O-CG 3.23Å; C525-L529 PolarHBondContact O-N 3.47Å; E526-L529 PolarHBondContact O-N 3.43Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.04Å; L529-E532 PolarHBondContact O-N 2.92Å; L529-R533 VanDerWaalsContact O-CB 3.23Å; L529-R533 WeakPolarHBondContact O-CB 3.17Å; L529-R533 PolarHBondContact O-N 2.76Å; L529-W541 HydrophobicContact CB-CH2 4.15Å; L529-W541 HydrophobicContact CB-CZ3 3.77Å; L529-W541 HydrophobicContact CD2-CE3 4.36Å; L529-W541 HydrophobicContact CD2-CH2 3.94Å; L529-W541 HydrophobicContact CD2-CZ3 3.88Å; L529-W541 HydrophobicContact CG-CH2 4.47Å; L529-W541 HydrophobicContact CG-CZ3 4.38Å; L529-W541 VanDerWaalsContact O-CZ3 3.27Å; L529-W541 WeakPolarHBondContact O-CZ3 3.4Å; L529-A544 HydrophobicContact CD2-CB 4.06Å; L529-V545 HydrophobicContact CD2-CB 4.4Å; L529-V545 HydrophobicContact CD2-CG2 3.62Å; L529-T548 HydrophobicContact CG-CG2 4.33Å
530	T	95.5	Very high	93.3	Very high	79 Å²	79	64.8 Å²	64.8	49%	0.485	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-37.8	177.9	-58.7	0	0	0	0	111.9	E526 V527 V534	E526-T530 VanDerWaalsContact O-CB 3.27Å; E526-T530 WeakPolarHBondContact O-CB 3.29Å; E526-T530 PolarHBondContact O-N 2.89Å; E526-T530 PolarHBondContact O-OG1 2.81Å; V527-T530 PolarHBondContact O-N 2.89Å; T530-V534 WeakPolarHBondContact O-CG2 3.4Å; T530-V534 PolarHBondContact O-N 3.05Å
531	F	94.5	Very high	93.3	Very high	3 Å²	3	60 Å²	60	1%	0.013	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-57.8	173.9	172.3	-103.3	0	0	0	111.7	Y494 M503 C506 R507 L510 V527 L528 L529 R533 V534 E535	Y494-F531 AromaticContact CE2-CD2 3.96Å; Y494-F531 HydrophobicContact CE2-CD2 3.96Å; Y494-F531 HydrophobicContact CE2-CE2 4.23Å; Y494-F531 WeakPolarHBondContact OH-CD2 3.48Å; M503-F531 HydrophobicContact CG-CE2 4.34Å; M503-F531 HydrophobicContact CG-CZ 3.93Å; M503-F531 HydrophobicContact SD-CE2 3.4Å; M503-F531 WeakPolarHBondContact SD-CE2 3.45Å; M503-F531 HydrophobicContact SD-CZ 3.61Å; C506-F531 HydrophobicContact CB-CE1 4.48Å; C506-F531 HydrophobicContact CB-CE2 3.66Å; C506-F531 HydrophobicContact CB-CZ 3.56Å; R507-F531 HydrophobicContact CB-CE1 3.91Å; R507-F531 HydrophobicContact CB-CZ 4.42Å; R507-F531 HydrophobicContact CG-CE1 4.5Å; L510-F531 HydrophobicContact CD1-CB 3.87Å; L510-F531 HydrophobicContact CD1-CD1 3.92Å; L510-F531 HydrophobicContact CD1-CD2 4.34Å; L510-F531 HydrophobicContact CD1-CG 3.79Å; V527-F531 VanDerWaalsContact O-CB 3.29Å; V527-F531 WeakPolarHBondContact O-CB 3.47Å; V527-F531 PolarHBondContact O-N 2.97Å; L528-F531 WeakPolarHBondContact O-CB 3.4Å; L528-F531 PolarHBondContact O-N 2.93Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.04Å; F531-R533 PolarHBondContact O-N 2.97Å; F531-V534 PolarHBondContact O-N 3.41Å; F531-V534 VanDerWaalsContact O-N 3.07Å; F531-E535 WeakPolarHBondContact CD2-OE2 3.36Å; F531-E535 WeakPolarHBondContact CE2-OE2 3.24Å; F531-E535 PolarHBondContact O-N 3.05Å
532	E	94.8	Very high	93.3	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-27.6	-178.2	-55.4	-55.2	171.5	0	0	113	R507 L528 L529 V534 G536 D540 W541 A544	R507-E532 WeakPolarHBondContact CD-OE1 3.39Å; R507-E532 WeakPolarHBondContact CG-OE1 3.29Å; R507-E532 IonicContact CZ-OE1 2.8Å; R507-E532 IonicContact CZ-OE2 3.27Å; R507-E532 IonicContact NE-OE1 3.65Å; R507-E532 PolarHBondContact NE-OE1 3.17Å; R507-E532 IonicContact NE-OE2 3.59Å; R507-E532 PolarHBondContact NE-OE2 3.32Å; R507-E532 IonicContact NH2-OE1 2.76Å; R507-E532 IonicContact NH2-OE2 3.61Å; R507-E532 PolarHBondContact NH2-OE2 3.17Å; L528-E532 HydrophobicContact CD1-CG 4.16Å; L528-E532 PolarHBondContact O-N 3.45Å; L529-E532 PolarHBondContact O-N 2.92Å; E532-V534 VanDerWaalsContact C-N 3.26Å; E532-V534 PolarHBondContact O-N 3.27Å; E532-G536 VanDerWaalsContact O-CA 3.22Å; E532-G536 WeakPolarHBondContact O-CA 3.24Å; E532-G536 PolarHBondContact O-N 2.96Å; E532-G536 WeakPolarHBondContact OE2-CA 3.43Å; E532-D540 HydrophobicContact CG-CB 4.42Å; E532-W541 HydrophobicContact CB-CB 4.29Å; E532-A544 HydrophobicContact CG-CB 3.85Å
533	R	93.8	Very high	93.3	Very high	164 Å²	164	63.1 Å²	63.1	62%	0.619	32%	0.324	S	S	*	.	H	α-helix	trans	-65.2	-26.9	174.9	-177.1	179.6	-67.2	156.9	-3.8	113.5	L529 F531 W541	L529-R533 VanDerWaalsContact O-CB 3.23Å; L529-R533 WeakPolarHBondContact O-CB 3.17Å; L529-R533 PolarHBondContact O-N 2.76Å; F531-R533 PolarHBondContact O-N 2.97Å; R533-W541 HydrophobicContact CB-CE3 3.96Å; R533-W541 HydrophobicContact CB-CZ3 3.94Å
534	V	93.1	Very high	93.2	Very high	109 Å²	109	58.6 Å²	58.6	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-103.5	-34.1	-176.3	-177.3	0	0	0	0	111.6	T530 F531 E532	T530-V534 WeakPolarHBondContact O-CG2 3.4Å; T530-V534 PolarHBondContact O-N 3.05Å; F531-V534 PolarHBondContact O-N 3.41Å; F531-V534 VanDerWaalsContact O-N 3.07Å; E532-V534 VanDerWaalsContact C-N 3.26Å; E532-V534 PolarHBondContact O-N 3.27Å
535	E	88	Confident	93.2	Very high	67 Å²	67	60.1 Å²	60.1	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-130.1	-3	-168.6	-72.7	158.4	171.1	0	0	114.4	R498 M503 F531	R498-E535 IonicContact CZ-OE1 2.74Å; R498-E535 IonicContact CZ-OE2 3.79Å; R498-E535 IonicContact NH1-OE1 2.69Å; R498-E535 IonicContact NH1-OE2 3.67Å; R498-E535 PolarHBondContact NH1-OE2 2.79Å; R498-E535 IonicContact NH2-OE1 3.86Å; R498-E535 PolarHBondContact NH2-OE1 3Å; R498-E535 IonicContact NH2-OE2 2.66Å; R498-E535 PolarHBondContact NH2-OE2 3.38Å; M503-E535 HydrophobicContact CE-CB 4.05Å; M503-E535 HydrophobicContact CE-CG 3.85Å; M503-E535 HydrophobicContact SD-CB 3.91Å; M503-E535 HydrophobicContact SD-CG 4.22Å; F531-E535 WeakPolarHBondContact CD2-OE2 3.36Å; F531-E535 WeakPolarHBondContact CE2-OE2 3.24Å; F531-E535 PolarHBondContact O-N 3.05Å
536	G	90.8	Very high	93.1	Very high	27 Å²	27	66.3 Å²	66.3	28%	0.278	34%	0.341	S	S	.	.	S	Bend	trans	-94.1	167.8	178.9	0	0	0	0	0	114.1	E532	E532-G536 VanDerWaalsContact O-CA 3.22Å; E532-G536 WeakPolarHBondContact O-CA 3.24Å; E532-G536 PolarHBondContact O-N 2.96Å; E532-G536 WeakPolarHBondContact OE2-CA 3.43Å
537	T	92.7	Very high	93	Very high	80 Å²	80	64.4 Å²	64.4	49%	0.491	33%	0.331	S	S	.	.			trans	-82.1	168.9	162.8	67.5	0	0	0	0	110.6	E539 D540 W541	T537-E539 PolarHBondContact O-N 3.39Å; T537-E539 PolarHBondContact OG1-N 3.47Å; T537-D540 WeakPolarHBondContact CB-OD2 3.22Å; T537-D540 WeakPolarHBondContact CG2-OD2 3.41Å; T537-D540 PolarHBondContact N-OD2 3.26Å; T537-D540 PolarHBondContact O-N 2.95Å; T537-D540 PolarHBondContact OG1-N 3.08Å; T537-D540 VanDerWaalsContact OG1-N 3.09Å; T537-D540 PolarHBondContact OG1-OD2 2.72Å; T537-W541 PolarHBondContact O-N 2.63Å
538	L	91.3	Very high	92.8	Very high	129 Å²	129	63.2 Å²	63.2	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-59.3	-34.5	171.6	-177.6	61.5	0	0	0	111.9	W541 D542	L538-W541 PolarHBondContact O-N 3.48Å; L538-D542 WeakPolarHBondContact O-CB 3.43Å; L538-D542 PolarHBondContact O-N 3.38Å
539	E	92.5	Very high	92.7	Very high	155 Å²	155	68.7 Å²	68.7	72%	0.724	35%	0.35	S	S	*	.	H	α-helix	trans	-70.7	-37.9	177.4	-171.8	173.9	-178.5	0	0	112.1	T537 T543	T537-E539 PolarHBondContact O-N 3.39Å; T537-E539 PolarHBondContact OG1-N 3.47Å; E539-T543 WeakPolarHBondContact O-CB 3.17Å; E539-T543 PolarHBondContact O-N 3.22Å; E539-T543 PolarHBondContact O-OG1 2.77Å
540	D	91.9	Very high	92.6	Very high	37 Å²	37	71.4 Å²	71.4	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-43.7	170.3	-62.7	-73.9	0	0	0	111.1	R507 E532 T537 T543 A544	R507-D540 WeakPolarHBondContact CD-OD1 3.48Å; R507-D540 IonicContact CZ-OD1 2.65Å; R507-D540 IonicContact CZ-OD2 3.74Å; R507-D540 IonicContact NE-OD1 3.28Å; R507-D540 PolarHBondContact NE-OD1 2.88Å; R507-D540 IonicContact NH1-OD1 3.19Å; R507-D540 PolarHBondContact NH1-OD1 3.28Å; R507-D540 IonicContact NH1-OD2 3.69Å; R507-D540 PolarHBondContact NH1-OD2 2.88Å; R507-D540 IonicContact NH2-OD2 2.69Å; E532-D540 HydrophobicContact CG-CB 4.42Å; T537-D540 WeakPolarHBondContact CB-OD2 3.22Å; T537-D540 WeakPolarHBondContact CG2-OD2 3.41Å; T537-D540 PolarHBondContact N-OD2 3.26Å; T537-D540 PolarHBondContact O-N 2.95Å; T537-D540 PolarHBondContact OG1-N 3.08Å; T537-D540 VanDerWaalsContact OG1-N 3.09Å; T537-D540 PolarHBondContact OG1-OD2 2.72Å; D540-T543 WeakPolarHBondContact O-CB 3.38Å; D540-T543 PolarHBondContact O-N 3.44Å; D540-A544 WeakPolarHBondContact O-CB 3.47Å; D540-A544 PolarHBondContact O-N 2.69Å
541	W	92.8	Very high	92.3	Very high	59 Å²	59	69.7 Å²	69.7	22%	0.223	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-50.6	178.2	163.8	-88.1	0	0	0	112.2	L529 E532 R533 T537 L538 T543 A544 V545	L529-W541 HydrophobicContact CB-CH2 4.15Å; L529-W541 HydrophobicContact CB-CZ3 3.77Å; L529-W541 HydrophobicContact CD2-CE3 4.36Å; L529-W541 HydrophobicContact CD2-CH2 3.94Å; L529-W541 HydrophobicContact CD2-CZ3 3.88Å; L529-W541 HydrophobicContact CG-CH2 4.47Å; L529-W541 HydrophobicContact CG-CZ3 4.38Å; L529-W541 VanDerWaalsContact O-CZ3 3.27Å; L529-W541 WeakPolarHBondContact O-CZ3 3.4Å; E532-W541 HydrophobicContact CB-CB 4.29Å; R533-W541 HydrophobicContact CB-CE3 3.96Å; R533-W541 HydrophobicContact CB-CZ3 3.94Å; T537-W541 PolarHBondContact O-N 2.63Å; L538-W541 PolarHBondContact O-N 3.48Å; W541-T543 VanDerWaalsContact C-N 3.28Å; W541-T543 PolarHBondContact O-N 3.29Å; W541-A544 WeakPolarHBondContact O-CB 3.38Å; W541-A544 PolarHBondContact O-N 3.37Å; W541-V545 HydrophobicContact CD2-CG2 4.2Å; W541-V545 HydrophobicContact CH2-CG2 4.11Å; W541-V545 HydrophobicContact CZ2-CG2 3.49Å; W541-V545 VanDerWaalsContact CZ2-CG2 3.49Å; W541-V545 WeakPolarHBondContact O-CG2 3.44Å; W541-V545 PolarHBondContact O-N 3.43Å
542	D	92.8	Very high	92.1	Very high	89 Å²	89	71.4 Å²	71.4	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-37.9	178.8	-73	-20	0	0	0	110.9	L538 A544 V545 Q546	L538-D542 WeakPolarHBondContact O-CB 3.43Å; L538-D542 PolarHBondContact O-N 3.38Å; D542-A544 VanDerWaalsContact C-N 3.34Å; D542-A544 PolarHBondContact O-N 2.57Å; D542-V545 PolarHBondContact O-N 3.38Å; D542-Q546 WeakPolarHBondContact O-CB 3.24Å; D542-Q546 PolarHBondContact O-N 2.67Å
543	T	92.6	Very high	91.9	Very high	47 Å²	47	76.3 Å²	76.3	29%	0.288	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-37.9	172.5	-65.8	0	0	0	0	112.2	E539 D540 W541 K547	E539-T543 WeakPolarHBondContact O-CB 3.17Å; E539-T543 PolarHBondContact O-N 3.22Å; E539-T543 PolarHBondContact O-OG1 2.77Å; D540-T543 WeakPolarHBondContact O-CB 3.38Å; D540-T543 PolarHBondContact O-N 3.44Å; W541-T543 VanDerWaalsContact C-N 3.28Å; W541-T543 PolarHBondContact O-N 3.29Å; T543-K547 HydrophobicContact CG2-CD 4.09Å; T543-K547 VanDerWaalsContact CG2-CE 3.4Å; T543-K547 WeakPolarHBondContact O-CB 3.28Å; T543-K547 WeakPolarHBondContact O-CD 3.32Å; T543-K547 VanDerWaalsContact O-CG 3.24Å; T543-K547 WeakPolarHBondContact O-CG 3.43Å; T543-K547 PolarHBondContact O-N 2.97Å
544	A	92.2	Very high	91.7	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-68.5	-48.1	175.5	0	0	0	0	0	111.4	L528 L529 E532 D540 W541 D542 Q546 K547 T548	L528-A544 HydrophobicContact CD1-CB 4.43Å; L528-A544 HydrophobicContact CD2-CB 4.08Å; L528-A544 HydrophobicContact CG-CB 3.98Å; L529-A544 HydrophobicContact CD2-CB 4.06Å; E532-A544 HydrophobicContact CG-CB 3.85Å; D540-A544 WeakPolarHBondContact O-CB 3.47Å; D540-A544 PolarHBondContact O-N 2.69Å; W541-A544 WeakPolarHBondContact O-CB 3.38Å; W541-A544 PolarHBondContact O-N 3.37Å; D542-A544 VanDerWaalsContact C-N 3.34Å; D542-A544 PolarHBondContact O-N 2.57Å; A544-Q546 PolarHBondContact O-N 2.69Å; A544-K547 PolarHBondContact O-N 3.32Å; A544-T548 WeakPolarHBondContact O-CG2 3.12Å; A544-T548 PolarHBondContact O-N 2.84Å; A544-T548 PolarHBondContact O-OG1 2.85Å; A544-T548 VanDerWaalsContact O-OG1 3.09Å
545	V	93.6	Very high	91.5	Very high	31 Å²	31	71.4 Å²	71.4	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-53.8	-51.6	175.4	172.4	0	0	0	0	110.7	L529 W541 D542 K547 T548 E549	L529-V545 HydrophobicContact CD2-CB 4.4Å; L529-V545 HydrophobicContact CD2-CG2 3.62Å; W541-V545 HydrophobicContact CD2-CG2 4.2Å; W541-V545 HydrophobicContact CH2-CG2 4.11Å; W541-V545 HydrophobicContact CZ2-CG2 3.49Å; W541-V545 VanDerWaalsContact CZ2-CG2 3.49Å; W541-V545 WeakPolarHBondContact O-CG2 3.44Å; W541-V545 PolarHBondContact O-N 3.43Å; D542-V545 PolarHBondContact O-N 3.38Å; V545-K547 VanDerWaalsContact C-N 3.31Å; V545-K547 PolarHBondContact O-N 2.79Å; V545-T548 PolarHBondContact O-N 3.43Å; V545-T548 PolarHBondContact O-OG1 3.33Å; V545-T548 VanDerWaalsContact O-OG1 3.04Å; V545-E549 HydrophobicContact CG1-CG 4.18Å; V545-E549 WeakPolarHBondContact O-CB 3.31Å; V545-E549 WeakPolarHBondContact O-CG 3.41Å; V545-E549 PolarHBondContact O-N 3.41Å
546	Q	93	Very high	91.5	Very high	132 Å²	132	71.9 Å²	71.9	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-57.6	-42.6	179.7	-169.6	-173	42.1	0	0	112.2	D542 A544 T550	D542-Q546 WeakPolarHBondContact O-CB 3.24Å; D542-Q546 PolarHBondContact O-N 2.67Å; A544-Q546 PolarHBondContact O-N 2.69Å; Q546-T550 VanDerWaalsContact O-CB 3.25Å; Q546-T550 WeakPolarHBondContact O-CB 3.39Å; Q546-T550 PolarHBondContact O-N 3.38Å; Q546-T550 VanDerWaalsContact O-N 3.09Å; Q546-T550 PolarHBondContact O-OG1 3.49Å
547	K	91.9	Very high	91.5	Very high	78 Å²	78	75.5 Å²	75.5	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-43.9	178.5	-73.2	168.5	-172.9	171.1	0	112.1	H511 T543 A544 V545 R551	H511-K547 PolarHBondContact CD2-NZ 2.92Å; H511-K547 VanDerWaalsContact CD2-NZ 3.27Å; H511-K547 PolarHBondContact NE2-NZ 3.32Å; T543-K547 HydrophobicContact CG2-CD 4.09Å; T543-K547 VanDerWaalsContact CG2-CE 3.4Å; T543-K547 WeakPolarHBondContact O-CB 3.28Å; T543-K547 WeakPolarHBondContact O-CD 3.32Å; T543-K547 VanDerWaalsContact O-CG 3.24Å; T543-K547 WeakPolarHBondContact O-CG 3.43Å; T543-K547 PolarHBondContact O-N 2.97Å; A544-K547 PolarHBondContact O-N 3.32Å; V545-K547 VanDerWaalsContact C-N 3.31Å; V545-K547 PolarHBondContact O-N 2.79Å; K547-R551 WeakPolarHBondContact O-CB 3.16Å; K547-R551 PolarHBondContact O-N 3.47Å
548	T	91.7	Very high	91.2	Very high	4 Å²	4	76.5 Å²	76.5	3%	0.025	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-46.5	179.9	53.8	0	0	0	0	111.3	V514 C525 L528 L529 A544 V545 T550 R551 L552	V514-T548 HydrophobicContact CG2-CG2 4.36Å; C525-T548 HydrophobicContact CB-CG2 3.52Å; L528-T548 HydrophobicContact CD2-CG2 4.03Å; L529-T548 HydrophobicContact CG-CG2 4.33Å; A544-T548 WeakPolarHBondContact O-CG2 3.12Å; A544-T548 PolarHBondContact O-N 2.84Å; A544-T548 PolarHBondContact O-OG1 2.85Å; A544-T548 VanDerWaalsContact O-OG1 3.09Å; V545-T548 PolarHBondContact O-N 3.43Å; V545-T548 PolarHBondContact O-OG1 3.33Å; V545-T548 VanDerWaalsContact O-OG1 3.04Å; T548-T550 PolarHBondContact O-N 2.79Å; T548-R551 PolarHBondContact O-N 2.7Å; T548-L552 WeakPolarHBondContact O-CB 3.12Å; T548-L552 VanDerWaalsContact O-CG 3.23Å; T548-L552 WeakPolarHBondContact O-CG 3.3Å; T548-L552 PolarHBondContact O-N 3.06Å
549	E	92.7	Very high	91.1	Very high	114 Å²	114	75 Å²	75	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-45.9	176.1	-72.1	-175.4	169.3	0	0	111.5	V545 R551 L552 N553	V545-E549 HydrophobicContact CG1-CG 4.18Å; V545-E549 WeakPolarHBondContact O-CB 3.31Å; V545-E549 WeakPolarHBondContact O-CG 3.41Å; V545-E549 PolarHBondContact O-N 3.41Å; E549-R551 VanDerWaalsContact C-N 3.32Å; E549-R551 PolarHBondContact O-N 3.47Å; E549-L552 PolarHBondContact O-N 2.65Å; E549-N553 VanDerWaalsContact O-CB 3.26Å; E549-N553 WeakPolarHBondContact O-CB 3.43Å; E549-N553 PolarHBondContact O-N 2.84Å; E549-N553 PolarHBondContact O-ND2 3.19Å; E549-N553 VanDerWaalsContact O-ND2 3.09Å
550	T	92.2	Very high	90.9	Very high	93 Å²	93	70.5 Å²	70.5	57%	0.571	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-40.9	177.6	-59.1	0	0	0	0	111.9	Q546 T548 R554	Q546-T550 VanDerWaalsContact O-CB 3.25Å; Q546-T550 WeakPolarHBondContact O-CB 3.39Å; Q546-T550 PolarHBondContact O-N 3.38Å; Q546-T550 VanDerWaalsContact O-N 3.09Å; Q546-T550 PolarHBondContact O-OG1 3.49Å; T548-T550 PolarHBondContact O-N 2.79Å; T550-R554 PolarHBondContact O-N 2.85Å
551	R	89.9	Confident	90.9	Very high	43 Å²	43	73.7 Å²	73.7	16%	0.162	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-48.5	177.3	-178.2	63	169.4	130.5	-1.7	111.7	V514 Q515 T517 K547 T548 E549 R554 I555	V514-R551 HydrophobicContact CG1-CB 3.9Å; V514-R551 HydrophobicContact CG1-CG 3.9Å; V514-R551 WeakPolarHBondContact O-CD 3.48Å; V514-R551 WeakPolarHBondContact O-CG 3.48Å; V514-R551 PolarHBondContact O-NE 3.09Å; Q515-R551 PolarHBondContact O-NH2 3.04Å; T517-R551 PolarHBondContact O-NH2 3.11Å; K547-R551 WeakPolarHBondContact O-CB 3.16Å; K547-R551 PolarHBondContact O-N 3.47Å; T548-R551 PolarHBondContact O-N 2.7Å; E549-R551 VanDerWaalsContact C-N 3.32Å; E549-R551 PolarHBondContact O-N 3.47Å; R551-R554 PolarHBondContact O-N 3.5Å; R551-I555 HydrophobicContact CG-CD1 3.95Å; R551-I555 WeakPolarHBondContact O-CG1 3.46Å; R551-I555 PolarHBondContact O-N 3.42Å
552	L	89.9	Confident	90.7	Very high	39 Å²	39	73.4 Å²	73.4	20%	0.204	37%	0.369	C	S	.	.	H	α-helix	trans	-67.3	-41.2	-176.8	-68.1	179	0	0	0	112.2	E522 C525 T548 E549 R554 I555 N556	E522-L552 HydrophobicContact CG-CD2 3.86Å; C525-L552 HydrophobicContact CB-CD1 4.22Å; T548-L552 WeakPolarHBondContact O-CB 3.12Å; T548-L552 VanDerWaalsContact O-CG 3.23Å; T548-L552 WeakPolarHBondContact O-CG 3.3Å; T548-L552 PolarHBondContact O-N 3.06Å; E549-L552 PolarHBondContact O-N 2.65Å; L552-R554 VanDerWaalsContact C-N 3.33Å; L552-R554 PolarHBondContact O-N 2.86Å; L552-I555 PolarHBondContact O-N 3.02Å; L552-N556 WeakPolarHBondContact O-CB 3.39Å; L552-N556 VanDerWaalsContact O-CG 3.29Å; L552-N556 PolarHBondContact O-N 3.35Å; L552-N556 PolarHBondContact O-ND2 2.82Å
553	N	90.9	Very high	90.5	Very high	105 Å²	105	71.4 Å²	71.4	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-59.3	-43.9	174.7	-74.2	-32.5	0	0	0	111.6	E549 I555 N556 E557	E549-N553 VanDerWaalsContact O-CB 3.26Å; E549-N553 WeakPolarHBondContact O-CB 3.43Å; E549-N553 PolarHBondContact O-N 2.84Å; E549-N553 PolarHBondContact O-ND2 3.19Å; E549-N553 VanDerWaalsContact O-ND2 3.09Å; N553-I555 PolarHBondContact O-N 3.39Å; N553-N556 PolarHBondContact O-N 3.48Å; N553-E557 WeakPolarHBondContact O-CB 3.47Å; N553-E557 PolarHBondContact O-N 3.23Å
554	R	90.1	Very high	90.3	Very high	156 Å²	156	74.8 Å²	74.8	59%	0.589	38%	0.377	S	S	*	.	H	α-helix	trans	-63.5	-39.4	175.2	-177.8	177.5	175.7	-175.1	-0.4	112.6	T550 R551 L552 Q558	T550-R554 PolarHBondContact O-N 2.85Å; R551-R554 PolarHBondContact O-N 3.5Å; L552-R554 VanDerWaalsContact C-N 3.33Å; L552-R554 PolarHBondContact O-N 2.86Å; R554-Q558 VanDerWaalsContact O-CG 3.28Å; R554-Q558 WeakPolarHBondContact O-CG 3.47Å; R554-Q558 PolarHBondContact O-N 3.11Å
555	I	87.8	Confident	90.2	Very high	14 Å²	14	82.4 Å²	82.4	7%	0.072	41%	0.41	C	S	.	.	H	α-helix	trans	-70.7	-40.5	178.5	-67.9	174.4	0	0	0	111	P521 R551 L552 N553 E557 Q558 R559	P521-I555 HydrophobicContact CB-CD1 3.46Å; P521-I555 VanDerWaalsContact CB-CD1 3.46Å; P521-I555 HydrophobicContact CG-CD1 3.45Å; P521-I555 VanDerWaalsContact CG-CD1 3.45Å; P521-I555 HydrophobicContact CG-CG2 4.23Å; R551-I555 HydrophobicContact CG-CD1 3.95Å; R551-I555 WeakPolarHBondContact O-CG1 3.46Å; R551-I555 PolarHBondContact O-N 3.42Å; L552-I555 PolarHBondContact O-N 3.02Å; N553-I555 PolarHBondContact O-N 3.39Å; I555-E557 VanDerWaalsContact C-N 3.34Å; I555-Q558 WeakPolarHBondContact O-CB 3.4Å; I555-Q558 PolarHBondContact O-N 3.32Å; I555-Q558 VanDerWaalsContact O-N 3.16Å; I555-R559 HydrophobicContact CG2-CG 4.31Å; I555-R559 WeakPolarHBondContact O-CB 3.35Å; I555-R559 WeakPolarHBondContact O-CG 3.31Å; I555-R559 PolarHBondContact O-N 3.04Å
556	N	88.5	Confident	90	Very high	78 Å²	78	87.7 Å²	87.7	42%	0.417	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-37	176.2	-70.8	-22.1	0	0	0	111.6	L552 N553 R559 A560	L552-N556 WeakPolarHBondContact O-CB 3.39Å; L552-N556 VanDerWaalsContact O-CG 3.29Å; L552-N556 PolarHBondContact O-N 3.35Å; L552-N556 PolarHBondContact O-ND2 2.82Å; N553-N556 PolarHBondContact O-N 3.48Å; N556-R559 PolarHBondContact O-N 3.38Å; N556-R559 PolarHBondContact OD1-NH1 3.02Å; N556-A560 VanDerWaalsContact O-CB 3.24Å; N556-A560 WeakPolarHBondContact O-CB 3.23Å; N556-A560 PolarHBondContact O-N 3.08Å
557	E	90.8	Very high	89.7	Confident	102 Å²	102	85.6 Å²	85.6	48%	0.477	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-41	169.8	-166.8	-164.4	174.4	0	0	112	N553 I555 K561	N553-E557 WeakPolarHBondContact O-CB 3.47Å; N553-E557 PolarHBondContact O-N 3.23Å; I555-E557 VanDerWaalsContact C-N 3.34Å; E557-K561 HydrophobicContact CG-CD 4.28Å; E557-K561 WeakPolarHBondContact O-CB 3.2Å; E557-K561 WeakPolarHBondContact O-CG 3.41Å; E557-K561 PolarHBondContact O-N 2.96Å; E557-K561 WeakPolarHBondContact OE1-CE 3.24Å; E557-K561 IonicContact OE1-NZ 2.68Å; E557-K561 PolarHBondContact OE1-NZ 3.13Å
558	Q	87.1	Confident	89.5	Confident	102 Å²	102	85 Å²	85	48%	0.477	43%	0.43	S	S	.	.	H	α-helix	trans	-66.4	-44.1	176.1	-75.1	176	-51.1	0	0	112.3	R554 I555 K561 A562	R554-Q558 VanDerWaalsContact O-CG 3.28Å; R554-Q558 WeakPolarHBondContact O-CG 3.47Å; R554-Q558 PolarHBondContact O-N 3.11Å; I555-Q558 WeakPolarHBondContact O-CB 3.4Å; I555-Q558 PolarHBondContact O-N 3.32Å; I555-Q558 VanDerWaalsContact O-N 3.16Å; Q558-K561 PolarHBondContact O-N 3.02Å; Q558-A562 WeakPolarHBondContact O-CB 3.49Å; Q558-A562 PolarHBondContact O-N 3.4Å
559	R	87.4	Confident	89.4	Confident	98 Å²	98	89.8 Å²	89.8	37%	0.37	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-43.5	174.9	-72.5	172.7	176.8	164.7	-6.8	111.4	E522 I555 N556 K561 A562 A563	E522-R559 IonicContact OE1-CZ 3.32Å; E522-R559 IonicContact OE1-NH1 2.65Å; E522-R559 PolarHBondContact OE1-NH1 3.11Å; E522-R559 IonicContact OE1-NH2 3.1Å; E522-R559 PolarHBondContact OE1-NH2 3.4Å; E522-R559 IonicContact OE2-CZ 3.7Å; E522-R559 IonicContact OE2-NH1 3.8Å; E522-R559 PolarHBondContact OE2-NH1 2.93Å; E522-R559 IonicContact OE2-NH2 2.72Å; E522-R559 PolarHBondContact OE2-NH2 3.44Å; I555-R559 HydrophobicContact CG2-CG 4.31Å; I555-R559 WeakPolarHBondContact O-CB 3.35Å; I555-R559 WeakPolarHBondContact O-CG 3.31Å; I555-R559 PolarHBondContact O-N 3.04Å; N556-R559 PolarHBondContact O-N 3.38Å; N556-R559 PolarHBondContact OD1-NH1 3.02Å; R559-K561 PolarHBondContact O-N 3.25Å; R559-A562 WeakPolarHBondContact O-CB 3.29Å; R559-A562 PolarHBondContact O-N 2.86Å; R559-A563 PolarHBondContact O-N 2.77Å
560	A	89.3	Confident	89.1	Confident	60 Å²	60	87 Å²	87	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174.9	0	0	0	0	0	112	N556 A562 A563 E564	N556-A560 VanDerWaalsContact O-CB 3.24Å; N556-A560 WeakPolarHBondContact O-CB 3.23Å; N556-A560 PolarHBondContact O-N 3.08Å; A560-A562 VanDerWaalsContact C-N 3.31Å; A560-A562 PolarHBondContact O-N 2.88Å; A560-A563 PolarHBondContact O-N 2.83Å; A560-E564 WeakPolarHBondContact O-CB 3.35Å; A560-E564 PolarHBondContact O-N 3.02Å
561	K	91.1	Very high	88.8	Confident	104 Å²	104	88.6 Å²	88.6	45%	0.452	45%	0.447	S	S	.	.	H	α-helix	trans	-68.5	-25.8	175.3	-74.3	172.5	176.3	175.4	0	113.6	E557 Q558 R559 K565	E557-K561 HydrophobicContact CG-CD 4.28Å; E557-K561 WeakPolarHBondContact O-CB 3.2Å; E557-K561 WeakPolarHBondContact O-CG 3.41Å; E557-K561 PolarHBondContact O-N 2.96Å; E557-K561 WeakPolarHBondContact OE1-CE 3.24Å; E557-K561 IonicContact OE1-NZ 2.68Å; E557-K561 PolarHBondContact OE1-NZ 3.13Å; Q558-K561 PolarHBondContact O-N 3.02Å; R559-K561 PolarHBondContact O-N 3.25Å; K561-K565 VanDerWaalsContact O-CG 3.28Å; K561-K565 WeakPolarHBondContact O-CG 3.39Å; K561-K565 PolarHBondContact O-N 3Å
562	A	88.5	Confident	88.6	Confident	53 Å²	53	90.9 Å²	90.9	44%	0.438	46%	0.459	S	S	.	.	H	α-helix	trans	-71.4	-51.1	171.5	0	0	0	0	0	110.6	Q558 R559 A560 E564 K565 E566	Q558-A562 WeakPolarHBondContact O-CB 3.49Å; Q558-A562 PolarHBondContact O-N 3.4Å; R559-A562 WeakPolarHBondContact O-CB 3.29Å; R559-A562 PolarHBondContact O-N 2.86Å; A560-A562 VanDerWaalsContact C-N 3.31Å; A560-A562 PolarHBondContact O-N 2.88Å; A562-E564 VanDerWaalsContact C-N 3.32Å; A562-E564 PolarHBondContact O-N 2.79Å; A562-K565 WeakPolarHBondContact O-CB 3.48Å; A562-K565 PolarHBondContact O-N 3.36Å; A562-E566 WeakPolarHBondContact O-CB 3.41Å; A562-E566 PolarHBondContact O-N 2.87Å
563	A	89.2	Confident	88.4	Confident	47 Å²	47	94.4 Å²	94.4	39%	0.388	48%	0.475	S	S	.	.	H	α-helix	trans	-60.7	-37.2	175.7	0	0	0	0	0	112.7	R559 A560 E566 T567	R559-A563 PolarHBondContact O-N 2.77Å; A560-A563 PolarHBondContact O-N 2.83Å; A563-E566 PolarHBondContact O-N 2.83Å; A563-T567 WeakPolarHBondContact O-CB 3.22Å; A563-T567 VanDerWaalsContact O-CG2 3.31Å; A563-T567 WeakPolarHBondContact O-CG2 3.41Å; A563-T567 PolarHBondContact O-N 3.07Å; A563-T567 PolarHBondContact O-OG1 3.39Å
564	E	89.3	Confident	88.2	Confident	118 Å²	118	95.6 Å²	95.6	55%	0.551	48%	0.477	S	S	*	.	H	α-helix	trans	-64.4	-40.2	172.9	-175.4	180	-162.1	0	0	111.8	A560 A562 T567 N568	A560-E564 WeakPolarHBondContact O-CB 3.35Å; A560-E564 PolarHBondContact O-N 3.02Å; A562-E564 VanDerWaalsContact C-N 3.32Å; A562-E564 PolarHBondContact O-N 2.79Å; E564-T567 WeakPolarHBondContact CA-OG1 3.44Å; E564-T567 PolarHBondContact O-OG1 2.93Å; E564-N568 WeakPolarHBondContact O-CB 3.26Å; E564-N568 PolarHBondContact O-N 2.77Å; E564-N568 PolarHBondContact O-ND2 2.93Å
565	K	89.9	Confident	88.1	Confident	159 Å²	159	92 Å²	92	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-66.5	-43.8	174.4	-77.7	174.2	179.9	-176	0	111.9	K561 A562 N568 L569	K561-K565 VanDerWaalsContact O-CG 3.28Å; K561-K565 WeakPolarHBondContact O-CG 3.39Å; K561-K565 PolarHBondContact O-N 3Å; A562-K565 WeakPolarHBondContact O-CB 3.48Å; A562-K565 PolarHBondContact O-N 3.36Å; K565-N568 PolarHBondContact O-N 2.99Å; K565-L569 WeakPolarHBondContact O-CB 3.38Å; K565-L569 PolarHBondContact O-N 2.93Å
566	E	88	Confident	88	Confident	143 Å²	143	95.8 Å²	95.8	67%	0.668	48%	0.483	S	S	*	.	H	α-helix	trans	-64.1	-48.1	-179.4	-173.7	176.8	-173.7	0	0	111.4	A562 A563 N568 L569 A570	A562-E566 WeakPolarHBondContact O-CB 3.41Å; A562-E566 PolarHBondContact O-N 2.87Å; A563-E566 PolarHBondContact O-N 2.83Å; E566-N568 PolarHBondContact O-N 2.9Å; E566-L569 WeakPolarHBondContact O-CB 3.22Å; E566-L569 PolarHBondContact O-N 3.38Å; E566-L569 VanDerWaalsContact O-N 3.12Å; E566-A570 WeakPolarHBondContact O-CB 3.31Å; E566-A570 PolarHBondContact O-N 2.63Å
567	T	88.4	Confident	87.9	Confident	88 Å²	88	98.1 Å²	98.1	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-37.5	174.9	52.1	0	0	0	0	112.7	A563 E564 R571	A563-T567 WeakPolarHBondContact O-CB 3.22Å; A563-T567 VanDerWaalsContact O-CG2 3.31Å; A563-T567 WeakPolarHBondContact O-CG2 3.41Å; A563-T567 PolarHBondContact O-N 3.07Å; A563-T567 PolarHBondContact O-OG1 3.39Å; E564-T567 WeakPolarHBondContact CA-OG1 3.44Å; E564-T567 PolarHBondContact O-OG1 2.93Å; T567-R571 WeakPolarHBondContact O-CB 3.43Å; T567-R571 PolarHBondContact O-N 3.32Å
568	N	87.7	Confident	87.7	Confident	64 Å²	64	95.9 Å²	95.9	34%	0.342	48%	0.482	S	S	.	.	H	α-helix	trans	-70.1	-32.4	172.2	-80.8	-67	0	0	0	112.8	E564 K565 E566 R571 H572	E564-N568 WeakPolarHBondContact O-CB 3.26Å; E564-N568 PolarHBondContact O-N 2.77Å; E564-N568 PolarHBondContact O-ND2 2.93Å; K565-N568 PolarHBondContact O-N 2.99Å; E566-N568 PolarHBondContact O-N 2.9Å; N568-R571 PolarHBondContact OD1-NH1 3.33Å; N568-H572 VanDerWaalsContact O-CB 3.25Å; N568-H572 WeakPolarHBondContact O-CB 3.38Å; N568-H572 PolarHBondContact O-N 3.11Å
569	L	88.2	Confident	87.5	Confident	105 Å²	105	97 Å²	97	55%	0.55	49%	0.488	S	S	.	.	H	α-helix	trans	-65.5	-51.1	173.5	-158.7	88.1	0	0	0	110.1	K565 E566 R571 H572 E573	K565-L569 WeakPolarHBondContact O-CB 3.38Å; K565-L569 PolarHBondContact O-N 2.93Å; E566-L569 WeakPolarHBondContact O-CB 3.22Å; E566-L569 PolarHBondContact O-N 3.38Å; E566-L569 VanDerWaalsContact O-N 3.12Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 2.68Å; L569-H572 CarbonylContact O-C 3.52Å; L569-H572 WeakPolarHBondContact O-CB 3.47Å; L569-H572 PolarHBondContact O-N 3.26Å; L569-H572 VanDerWaalsContact O-N 3.11Å; L569-E573 WeakPolarHBondContact O-CG 3.41Å; L569-E573 PolarHBondContact O-N 2.95Å
570	A	87.1	Confident	87.3	Confident	56 Å²	56	101 Å²	101	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-57.5	-44.6	176.4	0	0	0	0	0	111.9	E566 H572 E573 E574	E566-A570 WeakPolarHBondContact O-CB 3.31Å; E566-A570 PolarHBondContact O-N 2.63Å; A570-H572 PolarHBondContact O-N 3.26Å; A570-E573 PolarHBondContact O-N 3.24Å; A570-E574 PolarHBondContact O-N 3.47Å
571	R	86.4	Confident	87.1	Confident	127 Å²	127	106 Å²	106	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-37.9	175.7	-156	-172.5	78.6	-121.3	-7.1	112.1	T567 N568 L569 E573 E574 E575	T567-R571 WeakPolarHBondContact O-CB 3.43Å; T567-R571 PolarHBondContact O-N 3.32Å; N568-R571 PolarHBondContact OD1-NH1 3.33Å; L569-R571 VanDerWaalsContact C-N 3.35Å; L569-R571 PolarHBondContact O-N 2.68Å; R571-E573 VanDerWaalsContact C-N 3.33Å; R571-E573 PolarHBondContact O-N 3Å; R571-E574 PolarHBondContact O-N 3.33Å; R571-E575 IonicContact CZ-OE1 2.74Å; R571-E575 IonicContact NE-OE1 2.58Å; R571-E575 PolarHBondContact NE-OE1 3.42Å; R571-E575 IonicContact NH2-OE1 3.71Å; R571-E575 PolarHBondContact NH2-OE1 2.9Å; R571-E575 VanDerWaalsContact O-CB 3.28Å; R571-E575 WeakPolarHBondContact O-CB 3.37Å; R571-E575 WeakPolarHBondContact O-CG 3.47Å; R571-E575 PolarHBondContact O-N 3Å
572	H	85.4	Confident	86.7	Confident	90 Å²	90	106.3 Å²	106.3	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-30.8	174.6	173	-141.4	0	0	0	112.7	N568 L569 A570 K576	N568-H572 VanDerWaalsContact O-CB 3.25Å; N568-H572 WeakPolarHBondContact O-CB 3.38Å; N568-H572 PolarHBondContact O-N 3.11Å; L569-H572 CarbonylContact O-C 3.52Å; L569-H572 WeakPolarHBondContact O-CB 3.47Å; L569-H572 PolarHBondContact O-N 3.26Å; L569-H572 VanDerWaalsContact O-N 3.11Å; A570-H572 PolarHBondContact O-N 3.26Å; H572-K576 PolarHBondContact CE1-NZ 3.45Å; H572-K576 VanDerWaalsContact NE2-CE 3.25Å; H572-K576 WeakPolarHBondContact NE2-CE 3.43Å; H572-K576 PolarHBondContact NE2-NZ 2.92Å; H572-K576 WeakPolarHBondContact O-CB 3.44Å; H572-K576 VanDerWaalsContact O-CG 3.27Å; H572-K576 WeakPolarHBondContact O-CG 3.34Å; H572-K576 PolarHBondContact O-N 2.97Å
573	E	86.3	Confident	86.3	Confident	113 Å²	113	105.9 Å²	105.9	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-74.3	-39.6	171.8	-68.9	-167.1	155.7	0	0	112.6	L569 A570 R571 K576 M577	L569-E573 WeakPolarHBondContact O-CG 3.41Å; L569-E573 PolarHBondContact O-N 2.95Å; A570-E573 PolarHBondContact O-N 3.24Å; R571-E573 VanDerWaalsContact C-N 3.33Å; R571-E573 PolarHBondContact O-N 3Å; E573-K576 CarbonylContact O-C 3.59Å; E573-K576 WeakPolarHBondContact O-CB 3.46Å; E573-K576 PolarHBondContact O-N 3.49Å; E573-M577 WeakPolarHBondContact O-CG 3.45Å; E573-M577 PolarHBondContact O-N 3.29Å
574	E	86.6	Confident	85.9	Confident	131 Å²	131	113 Å²	113	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-63	-46	171.2	-171.6	177.8	-152.7	0	0	111.2	A570 R571 K576 M577 E578	A570-E574 PolarHBondContact O-N 3.47Å; R571-E574 PolarHBondContact O-N 3.33Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 2.95Å; E574-M577 CarbonylContact O-C 3.6Å; E574-M577 PolarHBondContact O-N 2.85Å; E574-M577 VanDerWaalsContact O-N 3.1Å; E574-E578 WeakPolarHBondContact O-CB 3.4Å; E574-E578 PolarHBondContact O-N 3.49Å
575	E	87	Confident	85.4	Confident	81 Å²	81	110.1 Å²	110.1	38%	0.379	52%	0.52	S	S	.	.	H	α-helix	trans	-58	-41.5	172.8	-75.9	173.1	-148	0	0	111.2	R571 E578 Q579	R571-E575 IonicContact CZ-OE1 2.74Å; R571-E575 IonicContact NE-OE1 2.58Å; R571-E575 PolarHBondContact NE-OE1 3.42Å; R571-E575 IonicContact NH2-OE1 3.71Å; R571-E575 PolarHBondContact NH2-OE1 2.9Å; R571-E575 VanDerWaalsContact O-CB 3.28Å; R571-E575 WeakPolarHBondContact O-CB 3.37Å; R571-E575 WeakPolarHBondContact O-CG 3.47Å; R571-E575 PolarHBondContact O-N 3Å; E575-E578 PolarHBondContact O-N 3.48Å; E575-Q579 WeakPolarHBondContact O-CB 3.47Å; E575-Q579 VanDerWaalsContact O-CG 3.25Å; E575-Q579 WeakPolarHBondContact O-CG 3.33Å; E575-Q579 PolarHBondContact O-N 2.69Å
576	K	87.1	Confident	84.9	Confident	92 Å²	92	108.9 Å²	108.9	40%	0.4	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-39.5	172.7	-83	168.1	172.9	166.6	0	112.8	H572 E573 E574 R580	H572-K576 PolarHBondContact CE1-NZ 3.45Å; H572-K576 VanDerWaalsContact NE2-CE 3.25Å; H572-K576 WeakPolarHBondContact NE2-CE 3.43Å; H572-K576 PolarHBondContact NE2-NZ 2.92Å; H572-K576 WeakPolarHBondContact O-CB 3.44Å; H572-K576 VanDerWaalsContact O-CG 3.27Å; H572-K576 WeakPolarHBondContact O-CG 3.34Å; H572-K576 PolarHBondContact O-N 2.97Å; E573-K576 CarbonylContact O-C 3.59Å; E573-K576 WeakPolarHBondContact O-CB 3.46Å; E573-K576 PolarHBondContact O-N 3.49Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 2.95Å; K576-R580 WeakPolarHBondContact O-CB 3.5Å; K576-R580 VanDerWaalsContact O-CG 3.23Å; K576-R580 WeakPolarHBondContact O-CG 3.43Å; K576-R580 PolarHBondContact O-N 2.98Å
577	M	85.2	Confident	84.3	Confident	128 Å²	128	109.7 Å²	109.7	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-66.1	-40.9	174.8	-76.1	-152.7	-74.4	0	0	111.3	E573 E574 R580 R581	E573-M577 WeakPolarHBondContact O-CG 3.45Å; E573-M577 PolarHBondContact O-N 3.29Å; E574-M577 CarbonylContact O-C 3.6Å; E574-M577 PolarHBondContact O-N 2.85Å; E574-M577 VanDerWaalsContact O-N 3.1Å; M577-R580 CarbonylContact O-C 3.6Å; M577-R580 WeakPolarHBondContact O-CB 3.33Å; M577-R580 PolarHBondContact O-N 2.91Å; M577-R581 WeakPolarHBondContact O-CB 3.3Å; M577-R581 PolarHBondContact O-N 3.16Å
578	E	85.8	Confident	83.5	Confident	55 Å²	55	113.5 Å²	113.5	26%	0.257	53%	0.526	S	S	.	.	H	α-helix	trans	-68.5	-38.8	177.5	-178.1	61	-176.3	0	0	111.9	E574 E575 R581 K582	E574-E578 WeakPolarHBondContact O-CB 3.4Å; E574-E578 PolarHBondContact O-N 3.49Å; E575-E578 PolarHBondContact O-N 3.48Å; E578-R581 VanDerWaalsContact CD-NH2 3.25Å; E578-R581 WeakPolarHBondContact O-CB 3.45Å; E578-R581 PolarHBondContact O-N 2.73Å; E578-R581 IonicContact OE1-CZ 3.33Å; E578-R581 IonicContact OE1-NE 3.75Å; E578-R581 IonicContact OE1-NH2 3.84Å; E578-R581 PolarHBondContact OE1-NH2 2.66Å; E578-R581 IonicContact OE2-CZ 2.72Å; E578-R581 IonicContact OE2-NE 2.77Å; E578-R581 PolarHBondContact OE2-NE 3.05Å; E578-R581 IonicContact OE2-NH2 3.96Å; E578-R581 PolarHBondContact OE2-NH2 3.38Å; E578-K582 HydrophobicContact CG-CD 4.26Å; E578-K582 WeakPolarHBondContact O-CB 3.29Å; E578-K582 WeakPolarHBondContact O-CG 3.36Å; E578-K582 PolarHBondContact O-N 3.29Å; E578-K582 WeakPolarHBondContact OE1-CE 3.45Å; E578-K582 IonicContact OE1-NZ 2.72Å; E578-K582 PolarHBondContact OE1-NZ 3.22Å
579	Q	82.9	Confident	82.6	Confident	126 Å²	126	113.3 Å²	113.3	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-63.7	-43.2	169.7	-74.2	176.9	24.4	0	0	111.7	E575 R581 K582 A583	E575-Q579 WeakPolarHBondContact O-CB 3.47Å; E575-Q579 VanDerWaalsContact O-CG 3.25Å; E575-Q579 WeakPolarHBondContact O-CG 3.33Å; E575-Q579 PolarHBondContact O-N 2.69Å; Q579-R581 VanDerWaalsContact C-N 3.29Å; Q579-R581 PolarHBondContact O-N 3.09Å; Q579-K582 PolarHBondContact O-N 3.33Å; Q579-A583 WeakPolarHBondContact O-CB 3.47Å; Q579-A583 PolarHBondContact O-N 3.41Å
580	R	84.2	Confident	81.4	Confident	180 Å²	180	115.4 Å²	115.4	68%	0.679	54%	0.541	S	S	*	.	H	α-helix	trans	-60.9	-37.1	172.7	-76.5	169.3	170.7	-173.2	-2.2	111.7	K576 M577 R584	K576-R580 WeakPolarHBondContact O-CB 3.5Å; K576-R580 VanDerWaalsContact O-CG 3.23Å; K576-R580 WeakPolarHBondContact O-CG 3.43Å; K576-R580 PolarHBondContact O-N 2.98Å; M577-R580 CarbonylContact O-C 3.6Å; M577-R580 WeakPolarHBondContact O-CB 3.33Å; M577-R580 PolarHBondContact O-N 2.91Å; R580-R584 WeakPolarHBondContact O-CB 3.29Å; R580-R584 VanDerWaalsContact O-CG 3.27Å; R580-R584 WeakPolarHBondContact O-CG 3.38Å; R580-R584 PolarHBondContact O-N 3.09Å
581	R	85.4	Confident	80	Confident	165 Å²	165	121.5 Å²	121.5	62%	0.623	56%	0.557	S	S	*	*	H	α-helix	trans	-67.3	-45.7	175.7	-167.2	171	72.4	141.3	2.9	111.4	M577 E578 Q579 R584 A585	M577-R581 WeakPolarHBondContact O-CB 3.3Å; M577-R581 PolarHBondContact O-N 3.16Å; E578-R581 VanDerWaalsContact CD-NH2 3.25Å; E578-R581 WeakPolarHBondContact O-CB 3.45Å; E578-R581 PolarHBondContact O-N 2.73Å; E578-R581 IonicContact OE1-CZ 3.33Å; E578-R581 IonicContact OE1-NE 3.75Å; E578-R581 IonicContact OE1-NH2 3.84Å; E578-R581 PolarHBondContact OE1-NH2 2.66Å; E578-R581 IonicContact OE2-CZ 2.72Å; E578-R581 IonicContact OE2-NE 2.77Å; E578-R581 PolarHBondContact OE2-NE 3.05Å; E578-R581 IonicContact OE2-NH2 3.96Å; E578-R581 PolarHBondContact OE2-NH2 3.38Å; Q579-R581 VanDerWaalsContact C-N 3.29Å; Q579-R581 PolarHBondContact O-N 3.09Å; R581-R584 PolarHBondContact O-N 3.23Å; R581-A585 PolarHBondContact O-N 3.39Å
582	K	83.1	Confident	78.6	Confident	112 Å²	112	124.2 Å²	124.2	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-63.4	-47.8	175.4	-74.1	168	179.9	158.7	0	112.1	E578 Q579 R584 A585 E586	E578-K582 HydrophobicContact CG-CD 4.26Å; E578-K582 WeakPolarHBondContact O-CB 3.29Å; E578-K582 WeakPolarHBondContact O-CG 3.36Å; E578-K582 PolarHBondContact O-N 3.29Å; E578-K582 WeakPolarHBondContact OE1-CE 3.45Å; E578-K582 IonicContact OE1-NZ 2.72Å; E578-K582 PolarHBondContact OE1-NZ 3.22Å; Q579-K582 PolarHBondContact O-N 3.33Å; K582-R584 VanDerWaalsContact C-N 3.29Å; K582-R584 PolarHBondContact O-N 2.82Å; K582-A585 CarbonylContact O-C 3.58Å; K582-A585 WeakPolarHBondContact O-CA 3.43Å; K582-A585 WeakPolarHBondContact O-CB 3.37Å; K582-A585 PolarHBondContact O-N 2.8Å; K582-E586 WeakPolarHBondContact O-CG 3.29Å; K582-E586 PolarHBondContact O-N 3.34Å
583	A	80.3	Confident	76.9	Confident	44 Å²	44	124.5 Å²	124.5	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-61.9	-33.3	175.7	0	0	0	0	0	113.1	Q579 K587	Q579-A583 WeakPolarHBondContact O-CB 3.47Å; Q579-A583 PolarHBondContact O-N 3.41Å; A583-K587 WeakPolarHBondContact O-CB 3.29Å; A583-K587 WeakPolarHBondContact O-CG 3.36Å; A583-K587 PolarHBondContact O-N 2.89Å
584	R	80.1	Confident	74.9	Confident	197 Å²	197	130.4 Å²	130.4	74%	0.743	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-38.5	170	-78.5	173.6	172.6	-172	-1.8	112	R580 R581 K582 K588	R580-R584 WeakPolarHBondContact O-CB 3.29Å; R580-R584 VanDerWaalsContact O-CG 3.27Å; R580-R584 WeakPolarHBondContact O-CG 3.38Å; R580-R584 PolarHBondContact O-N 3.09Å; R581-R584 PolarHBondContact O-N 3.23Å; K582-R584 VanDerWaalsContact C-N 3.29Å; K582-R584 PolarHBondContact O-N 2.82Å; R584-K588 PolarHBondContact O-N 3.44Å; R584-K588 VanDerWaalsContact O-N 3.14Å
585	A	78.9	Confident	72.5	Confident	57 Å²	57	127.6 Å²	127.6	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-69.5	-42.7	176	0	0	0	0	0	112.4	R581 K582 K588 A589	R581-A585 PolarHBondContact O-N 3.39Å; K582-A585 CarbonylContact O-C 3.58Å; K582-A585 WeakPolarHBondContact O-CA 3.43Å; K582-A585 WeakPolarHBondContact O-CB 3.37Å; K582-A585 PolarHBondContact O-N 2.8Å; A585-K588 CarbonylContact O-C 3.53Å; A585-K588 WeakPolarHBondContact O-CA 3.41Å; A585-K588 WeakPolarHBondContact O-CB 3.35Å; A585-K588 PolarHBondContact O-N 3.08Å; A585-K588 VanDerWaalsContact O-N 3.14Å; A585-A589 PolarHBondContact O-N 2.83Å
586	E	79.3	Confident	70.1	Confident	132 Å²	132	127.3 Å²	127.3	62%	0.617	63%	0.627	S	S	*	*	H	α-helix	trans	-64.4	-42.5	175.9	-72.6	173.9	172.1	0	0	111.8	K582 K588 A589 Q590	K582-E586 WeakPolarHBondContact O-CG 3.29Å; K582-E586 PolarHBondContact O-N 3.34Å; E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.87Å; E586-A589 CarbonylContact O-C 3.59Å; E586-A589 WeakPolarHBondContact O-CA 3.42Å; E586-A589 WeakPolarHBondContact O-CB 3.36Å; E586-A589 PolarHBondContact O-N 3.32Å; E586-Q590 PolarHBondContact O-N 2.94Å
587	K	74.9	Confident	67.6	Low	160 Å²	160	130.3 Å²	130.3	70%	0.696	64%	0.642	S	S	*	*	H	α-helix	trans	-61.1	-35.7	171.3	-76.6	-179	176.8	-176.7	0	112.3	A583 K591	A583-K587 WeakPolarHBondContact O-CB 3.29Å; A583-K587 WeakPolarHBondContact O-CG 3.36Å; A583-K587 PolarHBondContact O-N 2.89Å; K587-K591 WeakPolarHBondContact O-CB 3.48Å; K587-K591 PolarHBondContact O-N 2.76Å; K587-K591 VanDerWaalsContact O-N 3.17Å
588	K	71.8	Confident	65.2	Low	168 Å²	168	131.5 Å²	131.5	73%	0.73	64%	0.644	S	S	*	*	H	α-helix	trans	-66.3	-37.3	169.9	-85	-176.6	170.9	-176.4	0	112.4	R584 A585 E586 K592	R584-K588 PolarHBondContact O-N 3.44Å; R584-K588 VanDerWaalsContact O-N 3.14Å; A585-K588 CarbonylContact O-C 3.53Å; A585-K588 WeakPolarHBondContact O-CA 3.41Å; A585-K588 WeakPolarHBondContact O-CB 3.35Å; A585-K588 PolarHBondContact O-N 3.08Å; A585-K588 VanDerWaalsContact O-N 3.14Å; E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.87Å; K588-K592 PolarHBondContact O-N 2.69Å
589	A	69.3	Low	62.6	Low	60 Å²	60	140.3 Å²	140.3	50%	0.496	68%	0.675	S	S	.	*	H	α-helix	trans	-71.6	-44.9	179	0	0	0	0	0	112.8	A585 E586 K591 K592 S593	A585-A589 PolarHBondContact O-N 2.83Å; E586-A589 CarbonylContact O-C 3.59Å; E586-A589 WeakPolarHBondContact O-CA 3.42Å; E586-A589 WeakPolarHBondContact O-CB 3.36Å; E586-A589 PolarHBondContact O-N 3.32Å; A589-K591 VanDerWaalsContact C-N 3.28Å; A589-K591 PolarHBondContact O-N 2.98Å; A589-K592 WeakPolarHBondContact O-CA 3.37Å; A589-K592 WeakPolarHBondContact O-CB 3.38Å; A589-K592 PolarHBondContact O-N 3.07Å; A589-S593 PolarHBondContact O-N 2.85Å
590	Q	62.3	Low	60.2	Low	149 Å²	149	143.8 Å²	143.8	70%	0.696	69%	0.688	S	S	*	*	H	α-helix	trans	-59.6	-37.7	172	-100.7	-177.2	-4.6	0	0	111.9	E586 K592 S593	E586-Q590 PolarHBondContact O-N 2.94Å; Q590-K592 PolarHBondContact O-N 3.29Å; Q590-S593 PolarHBondContact O-N 3.03Å; Q590-S593 PolarHBondContact O-OG 3.14Å; Q590-S593 VanDerWaalsContact O-OG 3.08Å
591	K	58.8	Low	57.6	Low	184 Å²	184	138.9 Å²	138.9	80%	0.8	69%	0.686	S	S	*	*	H	α-helix	trans	-68.4	-14.7	174.4	-154.1	175.1	-174.9	-176.4	0	113.3	K587 A589	K587-K591 WeakPolarHBondContact O-CB 3.48Å; K587-K591 PolarHBondContact O-N 2.76Å; K587-K591 VanDerWaalsContact O-N 3.17Å; A589-K591 VanDerWaalsContact C-N 3.28Å; A589-K591 PolarHBondContact O-N 2.98Å
592	K	55.7	Low	54.9	Low	184 Å²	184	139.8 Å²	139.8	80%	0.8	70%	0.698	S	S	*	*	H	α-helix	trans	-91.6	-17.1	171.4	-87.9	-171.2	170.4	-173.1	0	114.5	K588 A589 Q590	K588-K592 PolarHBondContact O-N 2.69Å; A589-K592 WeakPolarHBondContact O-CA 3.37Å; A589-K592 WeakPolarHBondContact O-CB 3.38Å; A589-K592 PolarHBondContact O-N 3.07Å; Q590-K592 PolarHBondContact O-N 3.29Å
593	S	49.4	Very low	52.2	Low	97 Å²	97	142.2 Å²	142.2	68%	0.678	71%	0.711	S	S	*	*	H	α-helix	trans	-84.9	-13.5	-179.8	66.1	0	0	0	0	114.2	A589 Q590	A589-S593 PolarHBondContact O-N 2.85Å; Q590-S593 PolarHBondContact O-N 3.03Å; Q590-S593 PolarHBondContact O-OG 3.14Å; Q590-S593 VanDerWaalsContact O-OG 3.08Å
594	R	45.3	Very low	49.6	Very low	236 Å²	236	146.6 Å²	146.6	89%	0.891	73%	0.728	S	S	*	*	S	Bend	trans	-110.8	77.4	172.2	-83.7	-177.9	151.2	-173.3	-6.9	111.3
595	G	36.2	Very low	47.2	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	73%	0.73	S	S	*	*			trans	160.4	92.3	175.1	0	0	0	0	0	111.5
596	G	36.1	Very low	44.8	Very low	75 Å²	75	151.8 Å²	151.8	77%	0.773	75%	0.748	S	S	*	*			trans	-107.6	163.6	-173.8	0	0	0	0	0	114.8
597	E	34.6	Very low	42.3	Very low	155 Å²	155	155.1 Å²	155.1	72%	0.724	76%	0.763	S	S	*	*			trans	80.3	118.2	162.4	-64.3	-129.7	91.2	0	0	121.5
598	K	33.8	Very low	40	Very low	153 Å²	153	150.6 Å²	150.6	67%	0.665	76%	0.762	S	S	*	*			trans	81.2	97.6	140.1	-67.9	163	177.5	143.1	0	121.1
599	R	32.7	Very low	37.9	Very low	240 Å²	240	148.6 Å²	148.6	91%	0.906	76%	0.76	S	S	*	*				51.2	138.2	117	-65.3	175.6	178.3	176.3	-0.5	118.4
600	K	31	Very low	35.8	Very low	199 Å²	199	155.3 Å²	155.3	87%	0.865	77%	0.772	S	S	*	*			cis	-167.2	159.5	20.1	-157.2	-171.2	176.4	-165	0	110.9
601	A	29.8	Very low	33.9	Very low	78 Å²	78	154.6 Å²	154.6	65%	0.645	78%	0.778	S	S	*	*			trans	66.3	132.7	173.7	0	0	0	0	0	114.9
602	E	28.5	Very low	32.6	Very low	184 Å²	184	153.8 Å²	153.8	86%	0.86	78%	0.777	S	S	*	*				72.6	119.9	50.9	-64.1	168.4	172.1	0	0	111.7
603	Q	26.9	Very low	31.1	Very low	163 Å²	163	153.7 Å²	153.7	76%	0.762	78%	0.779	S	S	*	*			cis	-152.5	173.3	7.1	-151.5	-172.1	-67.7	0	0	112.2
604	D	26.8	Very low	30	Very low	136 Å²	136	154.3 Å²	154.3	73%	0.727	78%	0.784	S	S	*	*			trans	79.4	167.3	161.4	-61.7	-23.2	0	0	0	121.1
605	D	28.1	Very low	29.3	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	78%	0.777	S	S	*	*			trans	-101.6	145.7	-138.1	-104.8	-34.5	0	0	0	117.5
606	Y	29.8	Very low	29.5	Very low	216 Å²	216	149.5 Å²	149.5	85%	0.847	78%	0.778	S	S	*	*			trans	11	119.5	149.2	-82.8	-91.9	0	0	0	121.3
607	Q	25.9	Very low	29	Very low	201 Å²	201	154.6 Å²	154.6	94%	0.939	78%	0.779	S	S	*	*			trans	-127.4	115.9	135.9	-137.9	171	46.7	0	0	107
608	G	27.8	Very low	28.6	Very low	65 Å²	65	158.2 Å²	158.2	67%	0.67	79%	0.786	S	S	*	*				103	-177.9	102	0	0	0	0	0	110.6
609	D	27.2	Very low	28.1	Very low	127 Å²	127	158.1 Å²	158.1	68%	0.679	79%	0.787	S	S	*	*			cis	-165.5	154.7	-31.5	-160.6	5.7	0	0	0	107.8
610	W	25.7	Very low	27.7	Very low	201 Å²	201	157.9 Å²	157.9	76%	0.761	79%	0.787	S	S	*	*			trans	60.2	171.6	178.3	-52.2	94.2	0	0	0	115.6
611	T	22.2	Very low	27.3	Very low	134 Å²	134	152 Å²	152	82%	0.822	78%	0.782	S	S	*	*			cis	-143.1	162.3	10.6	-31.6	0	0	0	0	111.2
612	E	30.4	Very low	27.1	Very low	166 Å²	166	156.3 Å²	156.3	78%	0.776	80%	0.795	S	S	*	*			trans	-93.6	-165.3	-179.6	-61.1	-179.1	92.5	0	0	113.9
613	E	25.9	Very low	26.9	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	79%	0.792	S	S	*	*			trans	79.2	142.6	175.5	-63.1	-161.9	162.7	0	0	117.4
614	S	24.4	Very low	27	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	79%	0.789	S	S	*	*			cis	-156.6	166.4	-8.9	41.5	0	0	0	0	111.9
615	A	32.3	Very low	27	Very low	90 Å²	90	150.4 Å²	150.4	74%	0.744	79%	0.793	S	S	*	*			trans	-100.4	168.3	173.9	0	0	0	0	0	111.1
616	P	39.2	Very low	26.9	Very low	116 Å²	116	150.2 Å²	150.2	75%	0.753	79%	0.792	S	S	*	*				-161.5	-178.3	81.2	42	-20.5	0	0	0	119.1
617	K	26.4	Very low	27	Very low	182 Å²	182	144.8 Å²	144.8	79%	0.791	78%	0.783	S	S	*	*			trans	95.4	111.7	154.5	-68.1	177.2	178.4	177.9	0	121.3
618	R	24.9	Very low	27.1	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	78%	0.776	S	S	*	*				46	143.1	128.2	-56.1	-175.4	175.8	-176.6	-2.7	119.1
619	Q	24	Very low	27.3	Very low	150 Å²	150	147.9 Å²	147.9	70%	0.701	78%	0.784	S	S	*	*			cis	-165.3	153.5	25.7	-160.1	168.3	-26.2	0	0	113.8
620	R	24.4	Very low	27.4	Very low	235 Å²	235	152 Å²	152	89%	0.887	79%	0.792	S	S	*	*			trans	61.9	134.8	156.7	-92.3	174.7	177.1	176.3	-2.1	121.3
621	G	22.7	Very low	27.5	Very low	75 Å²	75	150.6 Å²	150.6	77%	0.773	80%	0.796	S	S	*	*			trans	142.3	83.5	144.7	0	0	0	0	0	118.9
622	N	24.7	Very low	27.9	Very low	169 Å²	169	152.7 Å²	152.7	90%	0.904	80%	0.796	S	S	*	*			trans	22.2	145.4	159.5	-83.1	37.4	0	0	0	123.4
623	G	25.9	Very low	27.8	Very low	78 Å²	78	151 Å²	151	80%	0.804	80%	0.798	S	S	*	*			trans	164	73.9	162.2	0	0	0	0	0	116.6
624	D	27.7	Very low	27.8	Very low	133 Å²	133	150.8 Å²	150.8	71%	0.711	80%	0.797	S	S	*	*			trans	-16.9	146.6	167.9	-64.4	-4.5	0	0	0	122.4
625	N	26.5	Very low	28	Very low	149 Å²	149	152.2 Å²	152.2	80%	0.797	80%	0.801	S	S	*	*			trans	53	122	135	-57.6	-22.9	0	0	0	122.1
626	N	26.9	Very low	27.7	Very low	143 Å²	143	151.1 Å²	151.1	77%	0.765	80%	0.798	S	S	*	*			trans	-149.9	135.4	131.3	-167.5	74.3	0	0	0	110.3
627	P	32.6	Very low	27.2	Very low	102 Å²	102	153.4 Å²	153.4	66%	0.662	80%	0.804	S	S	*	*			trans	-87.7	150.6	170.9	35.1	-33.1	0	0	0	112
628	D	28.2	Very low	27.1	Very low	147 Å²	147	155.2 Å²	155.2	79%	0.786	81%	0.812	S	S	*	*			trans	-103.6	114.9	166.2	-81	-34.3	0	0	0	109.6
629	E	30.7	Very low	27	Very low	183 Å²	183	147.5 Å²	147.5	86%	0.855	80%	0.804	S	S	*	*			trans	-79.7	121.7	170.1	-68.6	-176.9	131.9	0	0	110.5
630	Y	29.4	Very low	27.1	Very low	214 Å²	214	151.2 Å²	151.2	84%	0.839	81%	0.812	S	S	*	*			trans	-88.9	106.7	164	-95.7	-107.6	0	0	0	109.8
631	M	28.3	Very low	27.1	Very low	171 Å²	171	147.1 Å²	147.1	84%	0.842	81%	0.808	S	S	*	*			trans	-84.4	107.7	162.4	-95.4	-166.5	-79.3	0	0	110.1
632	E	30.4	Very low	27.4	Very low	178 Å²	178	148.1 Å²	148.1	83%	0.832	81%	0.809	S	S	*	*			trans	-109.2	130.1	156.6	-68.6	-162.9	142.4	0	0	109.3
633	T	28.1	Very low	28	Very low	132 Å²	132	146 Å²	146	81%	0.81	80%	0.804	S	S	*	*			trans	-117.3	116.9	-179.1	49.7	0	0	0	0	109.8
634	E	26.4	Very low	28.7	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	80%	0.804	S	S	*	*			trans	-126.3	155.9	174.7	-85.2	-130.2	123.8	0	0	112.1
635	T	27.4	Very low	28.5	Very low	141 Å²	141	145.1 Å²	145.1	87%	0.865	80%	0.804	S	S	*	*			trans	69.6	144.8	177.3	78.4	0	0	0	0	116.5
636	G	26.9	Very low	28.5	Very low	67 Å²	67	146 Å²	146	69%	0.691	81%	0.808	S	S	*	*			cis	168.3	142.3	-12.2	0	0	0	0	0	114.4
637	L	28.8	Very low	28.6	Very low	165 Å²	165	148.4 Å²	148.4	86%	0.864	81%	0.812	S	S	*	*			trans	61.3	113.4	160.6	-65.7	162.8	0	0	0	120
638	F	24.2	Very low	28.7	Very low	219 Å²	219	149.8 Å²	149.8	96%	0.961	82%	0.821	S	S	*	*				-172.3	158.1	110.8	-98	-69	0	0	0	108.6
639	G	23.3	Very low	28.4	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	82%	0.818	S	S	*	*			trans	-163.1	178.1	-174.4	0	0	0	0	0	115.7
640	R	25.7	Very low	28.7	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	82%	0.819	S	S	*	*			trans	-163.2	136.7	172.1	-109.4	174	-175.2	-171.8	1.7	114.4
641	N	24.1	Very low	28.4	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	82%	0.819	S	S	*	*			trans	55.9	127	144.4	-55.7	-3.5	0	0	0	122.2
642	A	30.3	Very low	28.2	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	82%	0.818	S	S	*	*			trans	-112.5	158.2	157.8	0	0	0	0	0	110.6
643	P	35.5	Very low	28	Very low	124 Å²	124	130 Å²	130	81%	0.805	82%	0.823	S	S	*	*				-152.8	-173.3	121.4	38.8	-20.3	0	0	0	113.6
644	P	41	Very low	27.9	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	83%	0.825	S	S	*	*				-137.3	160.6	-51.1	38.5	-23.3	0	0	0	115.6
645	G	23.7	Very low	27.8	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	83%	0.827	S	S	*	*				84.3	118.5	129.5	0	0	0	0	0	122.2
646	N	27	Very low	27.7	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	83%	0.826	S	S	*	*				-174	147.9	105.9	-107.5	-30.3	0	0	0	114.8
647	K	28.8	Very low	27.8	Very low	195 Å²	195	137.2 Å²	137.2	85%	0.848	83%	0.832	S	S	*	*			trans	-154	146.6	163.6	-78.8	-169	177.7	178	0	108.1
648	P	33.6	Very low	27.6	Very low	131 Å²	131	138.2 Å²	138.2	85%	0.851	83%	0.832	S	S	*	*				-142.2	178.7	96.7	31.1	-11.9	0	0	0	114.5
649	G	23.8	Very low	27.6	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	83%	0.825	S	S	*	*			trans	-89.9	-147.6	176.7	0	0	0	0	0	113.7
650	P	35.1	Very low	27.6	Very low	136 Å²	136	134.2 Å²	134.2	88%	0.883	83%	0.833	S	S	*	*			cis	-141.9	173.9	24.8	42.9	-25	0	0	0	118.1
651	G	23.4	Very low	27.6	Very low	82 Å²	82	128 Å²	128	85%	0.845	83%	0.83	S	S	*	*			trans	107.9	113.4	131.5	0	0	0	0	0	121.7
652	G	24.3	Very low	27.7	Very low	80 Å²	80	128 Å²	128	83%	0.825	84%	0.835	S	S	*	*				118.3	138.8	128.6	0	0	0	0	0	121.2
653	A	26.8	Very low	27.6	Very low	111 Å²	111	128 Å²	128	92%	0.917	84%	0.835	S	S	*	*			trans	73.3	168.6	159.9	0	0	0	0	0	120
654	R	25.9	Very low	27.2	Very low	231 Å²	231	126.7 Å²	126.7	87%	0.872	84%	0.835	S	S	*	*			trans	-136.6	153.1	-160.9	-78.3	-179.9	170.9	168.8	-4.8	113.9
655	N	25.1	Very low	26.7	Very low	158 Å²	158	130 Å²	130	85%	0.845	84%	0.84	S	S	*	*			trans	61.8	111.4	152.7	-64.3	10.1	0	0	0	120.8
656	A	25.3	Very low	26.8	Very low	104 Å²	104	137.6 Å²	137.6	86%	0.86	85%	0.847	S	S	*	*			trans	-155.2	163	130.9	0	0	0	0	0	111.4
657	Q	27.5	Very low	27	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	85%	0.846	S	S	*	*			trans	-55.5	145.6	-163.9	-74.8	146.3	-78.9	0	0	120.2
658	Q	24.9	Very low	27.1	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	85%	0.848	S	S	*	*			trans	22.2	123.5	132.5	-64.8	168.4	-43.9	0	0	119.7
659	G	24.3	Very low	26.9	Very low	78 Å²	78	135.5 Å²	135.5	80%	0.804	83%	0.832	S	S	*	*			trans	-171.4	102.5	165	0	0	0	0	0	116
660	S	24.1	Very low	27.2	Very low	126 Å²	126	139.7 Å²	139.7	88%	0.881	84%	0.838	S	S	*	*			trans	31.8	107	150.1	-171.7	0	0	0	0	121
661	A	24.5	Very low	27.1	Very low	99 Å²	99	145 Å²	145	82%	0.818	84%	0.841	S	S	*	*			trans	-163.2	84.6	145.9	0	0	0	0	0	113
662	V	27	Very low	27.8	Very low	149 Å²	149	150.5 Å²	150.5	90%	0.903	84%	0.836	S	S	*	*			trans	-133.6	108.1	162.2	-179.1	0	0	0	0	108.1
663	A	27.3	Very low	28.3	Very low	95 Å²	95	155.5 Å²	155.5	79%	0.785	84%	0.838	S	S	*	*			trans	-145	56.3	-168.7	0	0	0	0	0	112.6
664	A	27.8	Very low	29.1	Very low	98 Å²	98	156.6 Å²	156.6	81%	0.81	83%	0.827	S	S	*	*	S	Bend	trans	-144.8	25	177.4	0	0	0	0	0	114.3
665	Q	30	Very low	30.1	Very low	193 Å²	193	151.9 Å²	151.9	90%	0.902	81%	0.81	S	S	*	*			trans	-146.7	84.1	172	-110.4	176.3	-4.1	0	0	109.7
666	R	27.2	Very low	31.5	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	79%	0.785	S	S	*	*			trans	-142.2	86.2	179	-78	-172.4	173.8	-175.6	-2.7	111
667	Q	30.3	Very low	33.2	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	75%	0.754	S	S	*	*	S	Bend	trans	-175.8	58.7	156.1	-107.8	169.2	17.5	0	0	110.8
668	N	31.9	Very low	34.9	Very low	164 Å²	164	139.8 Å²	139.8	88%	0.877	74%	0.742	S	S	*	*	S	Bend	trans	-161.4	21.5	169	-139.1	-4.4	0	0	0	115.9
669	D	29	Very low	37	Very low	97 Å²	97	131.4 Å²	131.4	52%	0.519	70%	0.704	S	S	.	*			trans	-119.4	-5.1	-170.6	-135.9	14.5	0	0	0	114.6	R671 R672	D669-R671 PolarHBondContact O-N 3.14Å; D669-R672 PolarHBondContact O-N 3.38Å; D669-R672 WeakPolarHBondContact OD1-CD 3.18Å; D669-R672 IonicContact OD1-CZ 3.08Å; D669-R672 IonicContact OD1-NE 2.97Å; D669-R672 IonicContact OD1-NH1 3.3Å; D669-R672 PolarHBondContact OD1-NH1 2.96Å
670	D	29.7	Very low	39.5	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	34.4	-176	-55	-57.7	0	0	0	114.3
671	R	33.5	Very low	42.2	Very low	248 Å²	248	122.3 Å²	122.3	94%	0.936	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	22.3	171.6	-80.9	-164.9	172.7	-166.4	-2.1	113.5	D669	D669-R671 PolarHBondContact O-N 3.14Å
672	R	37	Very low	44.9	Very low	198 Å²	198	119.4 Å²	119.4	75%	0.747	60%	0.597	S	S	*	*			trans	-111.6	9.9	-176.7	-77.1	-166	175	139.2	-9.8	116.6	D669	D669-R672 PolarHBondContact O-N 3.38Å; D669-R672 WeakPolarHBondContact OD1-CD 3.18Å; D669-R672 IonicContact OD1-CZ 3.08Å; D669-R672 IonicContact OD1-NE 2.97Å; D669-R672 IonicContact OD1-NH1 3.3Å; D669-R672 PolarHBondContact OD1-NH1 2.96Å
673	E	35.4	Very low	47.4	Very low	184 Å²	184	112.3 Å²	112.3	86%	0.86	55%	0.554	S	S	*	*	S	Bend	trans	-85.7	148.9	174.8	-59.3	-160.6	138.6	0	0	112.8
674	L	42.5	Very low	49.6	Very low	134 Å²	134	108.6 Å²	108.6	70%	0.702	52%	0.523	S	S	*	.			trans	68.5	22.1	173.4	-57.9	177.2	0	0	0	119	D676	L674-D676 PolarHBondContact O-N 3.27Å
675	R	46.8	Very low	51.8	Low	132 Å²	132	106.7 Å²	106.7	50%	0.498	50%	0.499	S	S	.	.			trans	-86.5	80.8	161.7	-153.4	-169.2	-168.8	-167.2	-0.8	111.7	D677 D757	R675-D677 VanDerWaalsContact CD-OD1 3.28Å; R675-D677 WeakPolarHBondContact CD-OD1 3.41Å; R675-D677 WeakPolarHBondContact CG-OD1 3.33Å; R675-D677 IonicContact CZ-OD1 2.63Å; R675-D677 IonicContact NE-OD1 3.88Å; R675-D677 PolarHBondContact NE-OD1 3.34Å; R675-D677 PolarHBondContact O-N 3.28Å; R675-D677 VanDerWaalsContact O-N 3.13Å; R675-D757 IonicContact CZ-OD1 3.31Å; R675-D757 IonicContact NH1-OD1 2.67Å; R675-D757 PolarHBondContact NH1-OD1 2.98Å; R675-D757 IonicContact NH1-OD2 2.64Å
676	D	55.2	Low	53.8	Low	62 Å²	62	97.9 Å²	97.9	33%	0.332	46%	0.458	S	S	.	.			trans	-79.7	88.3	169.1	-174	2.2	0	0	0	110.3	L674 S678 C679 S680	L674-D676 PolarHBondContact O-N 3.27Å; D676-S678 PolarHBondContact O-N 3.06Å; D676-S678 WeakPolarHBondContact OD1-CB 3.19Å; D676-S678 PolarHBondContact OD1-N 3.32Å; D676-S678 PolarHBondContact OD1-OG 3.41Å; D676-C679 PolarHBondContact O-N 2.81Å; D676-C679 PolarHBondContact OD2-SG 2.8Å; D676-S680 PolarHBondContact O-OG 2.85Å
677	D	60.7	Low	55.7	Low	40 Å²	40	87.5 Å²	87.5	21%	0.214	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-62.4	-22.8	177.1	-65.1	-37.1	0	0	0	112	R675 C679 S680	R675-D677 VanDerWaalsContact CD-OD1 3.28Å; R675-D677 WeakPolarHBondContact CD-OD1 3.41Å; R675-D677 WeakPolarHBondContact CG-OD1 3.33Å; R675-D677 IonicContact CZ-OD1 2.63Å; R675-D677 IonicContact NE-OD1 3.88Å; R675-D677 PolarHBondContact NE-OD1 3.34Å; R675-D677 PolarHBondContact O-N 3.28Å; R675-D677 VanDerWaalsContact O-N 3.13Å; D677-C679 VanDerWaalsContact C-N 3.34Å; D677-C679 PolarHBondContact O-N 2.85Å; D677-S680 PolarHBondContact O-N 3.28Å
678	S	62.8	Low	57.5	Low	79 Å²	79	84.9 Å²	84.9	55%	0.552	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-73.8	-23	-177.3	78.2	0	0	0	0	113.9	D676	D676-S678 PolarHBondContact O-N 3.06Å; D676-S678 WeakPolarHBondContact OD1-CB 3.19Å; D676-S678 PolarHBondContact OD1-N 3.32Å; D676-S678 PolarHBondContact OD1-OG 3.41Å
679	C	70.7	Confident	58.8	Low	11 Å²	11	82.8 Å²	82.8	7%	0.074	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-103.1	13.2	177.9	-62.5	0	0	0	0	113.3	D676 D677 F728 A731	D676-C679 PolarHBondContact O-N 2.81Å; D676-C679 PolarHBondContact OD2-SG 2.8Å; D677-C679 VanDerWaalsContact C-N 3.34Å; D677-C679 PolarHBondContact O-N 2.85Å; C679-F728 WeakPolarHBondContact CB-O 3.45Å; C679-F728 PolarHBondContact O-N 3.42Å; C679-A731 PolarHBondContact SG-N 2.84Å; C679-A731 VanDerWaalsContact SG-N 3.39Å
680	S	76.9	Confident	60.4	Low	13 Å²	13	78.9 Å²	78.9	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.1	-167.2	-61.6	0	0	0	0	113.7	D676 D677 V726 C755	D676-S680 PolarHBondContact O-OG 2.85Å; D677-S680 PolarHBondContact O-N 3.28Å; S680-V726 WeakPolarHBondContact CA-O 3.45Å; S680-C755 WeakPolarHBondContact O-CB 3.22Å; S680-C755 PolarHBondContact O-N 2.69Å
681	V	80.4	Confident	61.6	Low	0 Å²	0	78.7 Å²	78.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.3	171.9	-61.8	0	0	0	0	112.2	I683 Y725 V726 F728 V734 A737 V752 S753	V681-I683 HydrophobicContact CG2-CG1 4.49Å; V681-Y725 CarbonylContact O-C 3.59Å; V681-Y725 VanDerWaalsContact O-CA 3.27Å; V681-Y725 WeakPolarHBondContact O-CA 3.48Å; V681-V726 HydrophobicContact CG2-CB 3.84Å; V681-V726 PolarHBondContact N-O 3.38Å; V681-V726 PolarHBondContact O-N 3.07Å; V681-F728 HydrophobicContact CG1-CE2 4.19Å; V681-F728 HydrophobicContact CG2-CE2 3.79Å; V681-V734 HydrophobicContact CG1-CB 4.38Å; V681-V734 HydrophobicContact CG1-CG1 3.92Å; V681-V734 HydrophobicContact CG1-CG2 4.29Å; V681-A737 HydrophobicContact CG1-CB 4.17Å; V681-V752 HydrophobicContact CB-CG1 4.27Å; V681-V752 HydrophobicContact CG2-CG1 4.4Å; V681-S753 CarbonylContact C-O 3.57Å; V681-S753 WeakPolarHBondContact CA-O 3.45Å
682	F	80.6	Confident	63	Low	38 Å²	38	72.8 Å²	72.8	17%	0.167	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.5	171.3	175	-103.8	0	0	0	109.9	Y723 Y725 V752 S753 F767	F682-Y723 AromaticContact CE2-CD2 3.65Å; F682-Y723 HydrophobicContact CE2-CD2 3.65Å; F682-Y723 HydrophobicContact CE2-CE2 4.35Å; F682-Y723 HydrophobicContact CE2-CG 4.22Å; F682-Y723 HydrophobicContact CZ-CD2 4.15Å; F682-Y723 HydrophobicContact CZ-CG 4.29Å; F682-Y725 HydrophobicContact CB-CD1 4.33Å; F682-Y725 HydrophobicContact CB-CE1 4.28Å; F682-Y725 HydrophobicContact CD2-CD1 4.11Å; F682-Y725 AromaticContact CD2-CE1 3.64Å; F682-Y725 HydrophobicContact CD2-CE1 3.64Å; F682-Y725 HydrophobicContact CD2-CE2 4.36Å; F682-Y725 AromaticContact CD2-CZ 3.78Å; F682-Y725 HydrophobicContact CG-CE1 4.42Å; F682-V752 WeakPolarHBondContact O-CA 3.4Å; F682-S753 PolarHBondContact N-O 3.24Å; F682-S753 PolarHBondContact O-N 2.69Å; F682-F767 HydrophobicContact CE1-CE2 4.27Å
683	I	78.9	Confident	64.4	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.6	-179.2	-59.2	178.7	0	0	0	109.2	V681 L686 L697 F701 Y723 G724 V726 M750 F751	V681-I683 HydrophobicContact CG2-CG1 4.49Å; I683-L686 HydrophobicContact CG2-CD1 4.08Å; I683-L686 HydrophobicContact CG2-CD2 3.98Å; I683-L686 HydrophobicContact CG2-CG 4.1Å; I683-L697 HydrophobicContact CD1-CD2 4.22Å; I683-F701 HydrophobicContact CD1-CD2 4.06Å; I683-F701 HydrophobicContact CD1-CE2 3.39Å; I683-F701 HydrophobicContact CD1-CZ 3.67Å; I683-F701 HydrophobicContact CG1-CE2 4.49Å; I683-F701 HydrophobicContact CG1-CZ 4.37Å; I683-Y723 CarbonylContact O-C 3.57Å; I683-Y723 WeakPolarHBondContact O-CA 3.27Å; I683-Y723 WeakPolarHBondContact O-CB 3.33Å; I683-G724 PolarHBondContact N-O 2.79Å; I683-G724 PolarHBondContact O-N 3.16Å; I683-V726 HydrophobicContact CD1-CB 4.33Å; I683-V726 HydrophobicContact CD1-CG2 3.49Å; I683-V726 VanDerWaalsContact CD1-CG2 3.49Å; I683-M750 HydrophobicContact CD1-SD 4.45Å; I683-M750 HydrophobicContact CG2-CG 3.52Å; I683-M750 HydrophobicContact CG2-SD 3.57Å; I683-M750 VanDerWaalsContact CG2-SD 3.57Å; I683-F751 CarbonylContact C-O 3.53Å; I683-F751 WeakPolarHBondContact CA-O 3.47Å
684	S	74.1	Confident	66	Low	17 Å²	17	61.2 Å²	61.2	12%	0.119	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	171.3	179.3	67	0	0	0	0	114.2	L686 G722 F751	S684-L686 VanDerWaalsContact C-N 3.32Å; S684-G722 CarbonylContact C-O 3.58Å; S684-F751 PolarHBondContact N-O 2.98Å; S684-F751 PolarHBondContact O-N 3.34Å
685	N	73.1	Confident	67.4	Low	57 Å²	57	57.6 Å²	57.6	31%	0.305	30%	0.303	S	S	.	.			trans	64.9	27	-174.7	-165.7	50.5	0	0	0	115.1	G722 P749 F751	N685-G722 PolarHBondContact N-O 3.39Å; N685-P749 PolarHBondContact ND2-O 3.11Å; N685-F751 HydrophobicContact CB-CD2 3.49Å; N685-F751 VanDerWaalsContact CB-CD2 3.49Å; N685-F751 HydrophobicContact CB-CE2 3.65Å
686	L	73.6	Confident	68.5	Low	9 Å²	9	54.8 Å²	54.8	5%	0.047	30%	0.295	C	S	.	.			trans	-65.4	152.3	170.5	-59.2	172.6	0	0	0	110.8	I683 S684 L697 L712 G722 M750	I683-L686 HydrophobicContact CG2-CD1 4.08Å; I683-L686 HydrophobicContact CG2-CD2 3.98Å; I683-L686 HydrophobicContact CG2-CG 4.1Å; S684-L686 VanDerWaalsContact C-N 3.32Å; L686-L697 HydrophobicContact CD1-CD1 3.94Å; L686-L697 HydrophobicContact CD2-CD2 4.09Å; L686-L712 HydrophobicContact CD1-CD2 3.72Å; L686-G722 PolarHBondContact N-O 3.1Å; L686-M750 HydrophobicContact CD2-CE 4.02Å; L686-M750 HydrophobicContact CD2-CG 3.93Å; L686-M750 HydrophobicContact CD2-SD 4.4Å
687	A	65.5	Low	69.3	Low	9 Å²	9	52 Å²	52	7%	0.074	28%	0.28	C	S	.	.			trans	-66.8	141.4	173.8	0	0	0	0	0	111	T689 L690 E746	A687-T689 PolarHBondContact O-N 3.39Å; A687-L690 HydrophobicContact CB-CB 4.25Å; A687-L690 WeakPolarHBondContact O-CB 3.32Å; A687-E746 HydrophobicContact CB-CB 4.45Å
688	Y	67.8	Low	70.1	Confident	132 Å²	132	55.3 Å²	55.3	52%	0.518	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.7	-179.8	-71	-98.1	0	0	0	112.7	I719 S720 R721	Y688-I719 HydrophobicContact CD1-CG2 4.44Å; Y688-S720 WeakPolarHBondContact CD1-O 3.44Å; Y688-S720 WeakPolarHBondContact CE1-O 3.45Å; Y688-R721 PolarHBondContact OH-O 3.49Å
689	T	59.3	Low	70.8	Confident	120 Å²	120	57.7 Å²	57.7	74%	0.736	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	10.3	-179.2	51.1	0	0	0	0	112.7	A687 E691	A687-T689 PolarHBondContact O-N 3.39Å; T689-E691 PolarHBondContact O-N 2.86Å
690	L	63.3	Low	71	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.079	30%	0.304	C	S	.	.			trans	-65.9	101.4	-175.1	-178.8	62.2	0	0	0	110.4	A687 P693 K696 V745 E746	A687-L690 HydrophobicContact CB-CB 4.25Å; A687-L690 WeakPolarHBondContact O-CB 3.32Å; L690-P693 HydrophobicContact CB-CB 4.3Å; L690-P693 HydrophobicContact CD2-CB 3.61Å; L690-P693 HydrophobicContact CG-CB 3.76Å; L690-P693 WeakPolarHBondContact O-CD 3.37Å; L690-K696 HydrophobicContact CD1-CD 3.53Å; L690-K696 HydrophobicContact CG-CD 4.38Å; L690-V745 HydrophobicContact CD1-CG1 4.15Å; L690-E746 HydrophobicContact CD1-CG 4.19Å; L690-E746 VanDerWaalsContact CD1-OE1 3.25Å; L690-E746 WeakPolarHBondContact CD1-OE1 3.35Å; L690-E746 VanDerWaalsContact CD1-OE2 3.26Å; L690-E746 WeakPolarHBondContact CD1-OE2 3.49Å
691	E	55.4	Low	71	Confident	154 Å²	154	58.3 Å²	58.3	72%	0.72	30%	0.299	S	S	*	.	S	Bend	trans	-63.1	138.9	173	-65.9	-178.1	151.2	0	0	110.6	T689 K696	T689-E691 PolarHBondContact O-N 2.86Å; E691-K696 WeakPolarHBondContact O-CD 3.35Å; E691-K696 WeakPolarHBondContact O-CE 3.46Å; E691-K696 PolarHBondContact O-NZ 2.93Å
692	D	63.6	Low	70.7	Confident	124 Å²	124	64.4 Å²	64.4	66%	0.663	33%	0.328	S	S	*	.	S	Bend	trans	38.1	63.2	-173	-70.2	-13.1	0	0	0	114.6	E694 A695 K696	D692-E694 VanDerWaalsContact C-N 3.28Å; D692-E694 PolarHBondContact O-N 3.5Å; D692-A695 HydrophobicContact CB-CB 4.15Å; D692-A695 PolarHBondContact O-N 3.28Å; D692-K696 PolarHBondContact O-N 3.41Å; D692-K696 VanDerWaalsContact O-N 3.11Å
693	P	66.4	Low	70.3	Confident	28 Å²	28	67.1 Å²	67.1	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-31.1	-172.4	29.9	-35.4	0	0	0	112	L690 L697 L712	L690-P693 HydrophobicContact CB-CB 4.3Å; L690-P693 HydrophobicContact CD2-CB 3.61Å; L690-P693 HydrophobicContact CG-CB 3.76Å; L690-P693 WeakPolarHBondContact O-CD 3.37Å; P693-L697 VanDerWaalsContact O-CB 3.28Å; P693-L697 WeakPolarHBondContact O-CB 3.39Å; P693-L697 WeakPolarHBondContact O-CD1 3.35Å; P693-L697 WeakPolarHBondContact O-CG 3.07Å; P693-L697 PolarHBondContact O-N 3.2Å; P693-L712 HydrophobicContact CB-CD1 3.68Å; P693-L712 HydrophobicContact CG-CD1 3.56Å
694	E	68.4	Low	69.9	Low	111 Å²	111	68.1 Å²	68.1	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-43.8	175.7	-177	169	176.9	0	0	111.9	D692 L697 K698 V710	D692-E694 VanDerWaalsContact C-N 3.28Å; D692-E694 PolarHBondContact O-N 3.5Å; E694-L697 PolarHBondContact O-N 2.82Å; E694-K698 VanDerWaalsContact O-CB 3.24Å; E694-K698 WeakPolarHBondContact O-CB 3.45Å; E694-K698 PolarHBondContact O-N 2.86Å; E694-V710 HydrophobicContact CG-CB 4.09Å; E694-V710 HydrophobicContact CG-CG1 4.33Å; E694-V710 HydrophobicContact CG-CG2 4.47Å
695	A	70.9	Confident	69.9	Low	58 Å²	58	68.1 Å²	68.1	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-45.9	179.1	0	0	0	0	0	111.7	D692 K698 L699	D692-A695 HydrophobicContact CB-CB 4.15Å; D692-A695 PolarHBondContact O-N 3.28Å; A695-K698 PolarHBondContact O-N 3.11Å; A695-L699 WeakPolarHBondContact O-CB 3.48Å; A695-L699 PolarHBondContact O-N 2.89Å
696	K	70.7	Confident	70	Confident	72 Å²	72	69 Å²	69	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-42.1	177.3	-71.1	173.9	-178.1	162.4	0	112	L690 E691 D692 L700 E746	L690-K696 HydrophobicContact CD1-CD 3.53Å; L690-K696 HydrophobicContact CG-CD 4.38Å; E691-K696 WeakPolarHBondContact O-CD 3.35Å; E691-K696 WeakPolarHBondContact O-CE 3.46Å; E691-K696 PolarHBondContact O-NZ 2.93Å; D692-K696 PolarHBondContact O-N 3.41Å; D692-K696 VanDerWaalsContact O-N 3.11Å; K696-L700 WeakPolarHBondContact O-CD1 3.44Å; K696-L700 VanDerWaalsContact O-CG 3.31Å; K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 2.74Å; K696-L700 VanDerWaalsContact O-N 3.17Å; K696-E746 IonicContact NZ-OE1 3.52Å; K696-E746 PolarHBondContact NZ-OE1 3.46Å
697	L	72.6	Confident	70.3	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-42.8	175.3	-73.2	171.3	0	0	0	112.2	I683 L686 P693 E694 L699 L700 F701 V710 L712 M750	I683-L697 HydrophobicContact CD1-CD2 4.22Å; L686-L697 HydrophobicContact CD1-CD1 3.94Å; L686-L697 HydrophobicContact CD2-CD2 4.09Å; P693-L697 VanDerWaalsContact O-CB 3.28Å; P693-L697 WeakPolarHBondContact O-CB 3.39Å; P693-L697 WeakPolarHBondContact O-CD1 3.35Å; P693-L697 WeakPolarHBondContact O-CG 3.07Å; P693-L697 PolarHBondContact O-N 3.2Å; E694-L697 PolarHBondContact O-N 2.82Å; L697-L699 PolarHBondContact O-N 3.14Å; L697-L700 PolarHBondContact O-N 3.44Å; L697-F701 HydrophobicContact CD2-CD2 4.43Å; L697-F701 HydrophobicContact CD2-CE2 4.02Å; L697-F701 WeakPolarHBondContact O-CD2 3.42Å; L697-F701 PolarHBondContact O-N 3.05Å; L697-V710 HydrophobicContact CD1-CG1 4.37Å; L697-L712 HydrophobicContact CD1-CD1 4.43Å; L697-L712 HydrophobicContact CD1-CD2 3.89Å; L697-L712 HydrophobicContact CD1-CG 4.39Å; L697-M750 HydrophobicContact CD2-CE 3.61Å; L697-M750 HydrophobicContact CD2-SD 4.17Å
698	K	77	Confident	70.8	Confident	109 Å²	109	75.8 Å²	75.8	47%	0.474	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-49.1	178.2	-171.1	171.4	-176.1	173.6	0	111	E694 A695 L700 F701 E702 I707	E694-K698 VanDerWaalsContact O-CB 3.24Å; E694-K698 WeakPolarHBondContact O-CB 3.45Å; E694-K698 PolarHBondContact O-N 2.86Å; A695-K698 PolarHBondContact O-N 3.11Å; K698-L700 VanDerWaalsContact C-N 3.31Å; K698-L700 PolarHBondContact O-N 3.39Å; K698-F701 PolarHBondContact O-N 2.89Å; K698-E702 WeakPolarHBondContact O-CB 3.4Å; K698-E702 PolarHBondContact O-N 3.12Å; K698-I707 HydrophobicContact CG-CD1 4.18Å
699	L	76.5	Confident	71	Confident	130 Å²	130	76.4 Å²	76.4	68%	0.681	40%	0.396	S	S	*	.	H	α-helix	trans	-64.2	-32.2	178.9	-168.2	150.7	0	0	0	113	A695 L697	A695-L699 WeakPolarHBondContact O-CB 3.48Å; A695-L699 PolarHBondContact O-N 2.89Å; L697-L699 PolarHBondContact O-N 3.14Å
700	L	75	Confident	71.9	Confident	35 Å²	35	71.4 Å²	71.4	18%	0.183	37%	0.366	C	S	.	.	H	α-helix	trans	-70.5	-46.3	174.8	-76.2	166.9	0	0	0	112.6	K696 L697 K698 S703 V745 M750	K696-L700 WeakPolarHBondContact O-CD1 3.44Å; K696-L700 VanDerWaalsContact O-CG 3.31Å; K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 2.74Å; K696-L700 VanDerWaalsContact O-N 3.17Å; L697-L700 PolarHBondContact O-N 3.44Å; K698-L700 VanDerWaalsContact C-N 3.31Å; K698-L700 PolarHBondContact O-N 3.39Å; L700-S703 PolarHBondContact O-OG 3.37Å; L700-V745 HydrophobicContact CD1-CG2 3.78Å; L700-M750 HydrophobicContact CD1-CE 3.9Å
701	F	77	Confident	72.4	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	38%	0.381	C	S	.	.	H	α-helix	trans	-89.7	-12.3	-173.9	-73.7	-78.3	0	0	0	114.6	I683 L697 K698 S703 C704 G705 I707 F728 A737 L740 M750 V752	I683-F701 HydrophobicContact CD1-CD2 4.06Å; I683-F701 HydrophobicContact CD1-CE2 3.39Å; I683-F701 HydrophobicContact CD1-CZ 3.67Å; I683-F701 HydrophobicContact CG1-CE2 4.49Å; I683-F701 HydrophobicContact CG1-CZ 4.37Å; L697-F701 HydrophobicContact CD2-CD2 4.43Å; L697-F701 HydrophobicContact CD2-CE2 4.02Å; L697-F701 WeakPolarHBondContact O-CD2 3.42Å; L697-F701 PolarHBondContact O-N 3.05Å; K698-F701 PolarHBondContact O-N 2.89Å; F701-S703 PolarHBondContact O-N 2.85Å; F701-C704 WeakPolarHBondContact O-CA 3.27Å; F701-C704 WeakPolarHBondContact O-CB 3.41Å; F701-C704 PolarHBondContact O-N 3.43Å; F701-G705 PolarHBondContact O-N 2.94Å; F701-I707 HydrophobicContact CB-CD1 3.64Å; F701-I707 HydrophobicContact CB-CG1 4.46Å; F701-F728 HydrophobicContact CB-CE1 4.14Å; F701-F728 HydrophobicContact CB-CZ 4.08Å; F701-F728 AromaticContact CD1-CZ 3.98Å; F701-F728 HydrophobicContact CD1-CZ 3.98Å; F701-F728 HydrophobicContact CG-CZ 4.35Å; F701-A737 HydrophobicContact CD1-CB 3.93Å; F701-A737 HydrophobicContact CE1-CB 3.9Å; F701-L740 HydrophobicContact CD1-CD1 3.94Å; F701-L740 HydrophobicContact CE1-CB 4.31Å; F701-L740 HydrophobicContact CE1-CD1 3.76Å; F701-L740 HydrophobicContact CZ-CD1 4.34Å; F701-M750 HydrophobicContact CE2-CE 4.2Å; F701-M750 HydrophobicContact CE2-SD 3.67Å; F701-M750 HydrophobicContact CZ-SD 3.68Å; F701-V752 HydrophobicContact CE1-CG1 4.36Å; F701-V752 HydrophobicContact CE1-CG2 4.31Å; F701-V752 HydrophobicContact CZ-CG1 4.48Å; F701-V752 HydrophobicContact CZ-CG2 3.86Å
702	E	74.9	Confident	73.3	Confident	128 Å²	128	69.5 Å²	69.5	60%	0.598	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.4	170	178.8	166.1	-135.8	0	0	111.7	K698 C704 G705	K698-E702 WeakPolarHBondContact O-CB 3.4Å; K698-E702 PolarHBondContact O-N 3.12Å; E702-C704 PolarHBondContact O-N 3.4Å; E702-G705 PolarHBondContact O-N 3.44Å
703	S	72.1	Confident	73.7	Confident	96 Å²	96	65.9 Å²	65.9	67%	0.671	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.3	172.3	69.7	0	0	0	0	115	L700 F701	L700-S703 PolarHBondContact O-OG 3.37Å; F701-S703 PolarHBondContact O-N 2.85Å
704	C	71.5	Confident	73.8	Confident	22 Å²	22	68 Å²	68	15%	0.149	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-21.9	177	-58.3	0	0	0	0	113	F701 E702 F728 A733 E736 A737 L740	F701-C704 WeakPolarHBondContact O-CA 3.27Å; F701-C704 WeakPolarHBondContact O-CB 3.41Å; F701-C704 PolarHBondContact O-N 3.43Å; E702-C704 PolarHBondContact O-N 3.4Å; C704-F728 HydrophobicContact CB-CE1 4.31Å; C704-F728 HydrophobicContact CB-CZ 4.4Å; C704-A733 VanDerWaalsContact O-CB 3.29Å; C704-A733 WeakPolarHBondContact O-CB 3.24Å; C704-E736 HydrophobicContact CB-CB 4.16Å; C704-A737 HydrophobicContact CB-CB 4.42Å; C704-L740 VanDerWaalsContact SG-CD1 3.56Å
705	G	73.4	Confident	73.5	Confident	16 Å²	16	63.5 Å²	63.5	17%	0.165	33%	0.334	C	S	.	.	S	Bend	trans	153.2	170.5	178.4	0	0	0	0	0	113.5	F701 E702 I707	F701-G705 PolarHBondContact O-N 2.94Å; E702-G705 PolarHBondContact O-N 3.44Å; G705-I707 PolarHBondContact O-N 2.88Å
706	P	74.4	Confident	72.6	Confident	75 Å²	75	68 Å²	68	49%	0.487	35%	0.35	S	S	.	.			trans	-62.5	128.3	179.6	24.7	-33.6	0	0	0	111.9	F728 E729	P706-F728 WeakPolarHBondContact O-CA 3.47Å; P706-E729 HydrophobicContact CB-CB 4.45Å; P706-E729 HydrophobicContact CB-CG 4.37Å; P706-E729 WeakPolarHBondContact CB-OE2 3.37Å; P706-E729 HydrophobicContact CG-CB 4.17Å; P706-E729 PolarHBondContact O-N 3.3Å
707	I	80.7	Confident	71.6	Confident	29 Å²	29	75.1 Å²	75.1	15%	0.149	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.3	-176.3	-58.5	171.8	0	0	0	109.6	K698 F701 G705 V710 V726 F728	K698-I707 HydrophobicContact CG-CD1 4.18Å; F701-I707 HydrophobicContact CB-CD1 3.64Å; F701-I707 HydrophobicContact CB-CG1 4.46Å; G705-I707 PolarHBondContact O-N 2.88Å; I707-V710 HydrophobicContact CG2-CG2 3.96Å; I707-V726 HydrophobicContact CD1-CG1 4.42Å; I707-V726 HydrophobicContact CG1-CG1 4.32Å; I707-V726 HydrophobicContact CG2-CG1 3.82Å; I707-F728 HydrophobicContact CG1-CD1 3.97Å; I707-F728 HydrophobicContact CG1-CE1 3.82Å
708	R	75.2	Confident	70.9	Confident	132 Å²	132	77.6 Å²	77.6	50%	0.498	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-41.1	175.7	-166.8	178.9	179.7	179.6	-0.1	112	Q727 E729	R708-Q727 WeakPolarHBondContact CA-O 3.4Å; R708-Q727 HydrophobicContact CB-CG 4.42Å; R708-Q727 WeakPolarHBondContact CB-O 3.48Å; R708-Q727 PolarHBondContact N-O 3.07Å; R708-E729 HydrophobicContact CB-CG 3.8Å; R708-E729 HydrophobicContact CG-CG 4.35Å
709	R	73.6	Confident	70.1	Confident	146 Å²	146	77.5 Å²	77.5	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159	140.2	-177.8	-171.3	174.9	-176.2	179.5	3.1	112.3	Q727	R709-Q727 HydrophobicContact CB-CB 4.39Å; R709-Q727 PolarHBondContact N-O 2.87Å; R709-Q727 VanDerWaalsContact N-O 3.15Å; R709-Q727 PolarHBondContact O-N 2.96Å
710	V	77.7	Confident	69.5	Low	15 Å²	15	72.7 Å²	72.7	9%	0.091	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.2	160.9	-176.8	0	0	0	0	107.8	E694 L697 I707 V726	E694-V710 HydrophobicContact CG-CB 4.09Å; E694-V710 HydrophobicContact CG-CG1 4.33Å; E694-V710 HydrophobicContact CG-CG2 4.47Å; L697-V710 HydrophobicContact CD1-CG1 4.37Å; I707-V710 HydrophobicContact CG2-CG2 3.96Å; V710-V726 HydrophobicContact CG1-CG2 4.24Å; V710-V726 HydrophobicContact CG2-CG2 4.26Å
711	Q	74.2	Confident	69.2	Low	88 Å²	88	76.3 Å²	76.3	41%	0.411	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	93.7	177.2	-175.9	173.9	-28.3	0	0	110.4	G724 Y725	Q711-G724 CarbonylContact O-C 3.6Å; Q711-G724 VanDerWaalsContact O-CA 3.29Å; Q711-G724 WeakPolarHBondContact O-CA 3.47Å; Q711-Y725 PolarHBondContact N-O 3.37Å; Q711-Y725 PolarHBondContact O-N 2.73Å
712	L	72.6	Confident	68.6	Low	40 Å²	40	76.5 Å²	76.5	21%	0.209	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.9	170.9	-70.9	159.9	0	0	0	110.3	L686 P693 L697	L686-L712 HydrophobicContact CD1-CD2 3.72Å; P693-L712 HydrophobicContact CB-CD1 3.68Å; P693-L712 HydrophobicContact CG-CD1 3.56Å; L697-L712 HydrophobicContact CD1-CD1 4.43Å; L697-L712 HydrophobicContact CD1-CD2 3.89Å; L697-L712 HydrophobicContact CD1-CG 4.39Å
713	I	71.9	Confident	68.9	Low	48 Å²	48	74 Å²	74	25%	0.246	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.5	173	-61.1	-151.2	0	0	0	109.4	R721 Y723 Y725	I713-R721 WeakPolarHBondContact O-CB 3.35Å; I713-R721 PolarHBondContact O-N 3.19Å; I713-Y723 HydrophobicContact CB-CD2 4.26Å; I713-Y723 HydrophobicContact CB-CE2 3.75Å; I713-Y723 HydrophobicContact CD1-CE2 3.95Å; I713-Y723 HydrophobicContact CG1-CD2 4.48Å; I713-Y723 HydrophobicContact CG1-CE2 3.97Å; I713-Y723 HydrophobicContact CG2-CE2 4.18Å; I713-Y723 PolarHBondContact N-O 3.49Å; I713-Y723 VanDerWaalsContact N-O 3.11Å; I713-Y725 HydrophobicContact CD1-CE2 3.91Å; I713-Y725 HydrophobicContact CG1-CE2 4.3Å
714	T	69.3	Low	69.2	Low	72 Å²	72	69.6 Å²	69.6	44%	0.442	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	164.4	171.8	51.6	0	0	0	0	111.6	G718 R721	T714-G718 WeakPolarHBondContact CB-O 3.28Å; T714-G718 WeakPolarHBondContact CG2-O 3.2Å; T714-R721 PolarHBondContact O-NH1 2.91Å
715	G	62.5	Low	69.7	Low	18 Å²	18	71.8 Å²	71.8	19%	0.186	36%	0.356	C	S	.	.			trans	-89.1	169.3	165.5	0	0	0	0	0	111.7	R717 G718 I719	G715-R717 PolarHBondContact O-N 3.37Å; G715-G718 PolarHBondContact O-N 2.97Å; G715-I719 PolarHBondContact N-O 3.49Å
716	N	51	Low	70.1	Confident	153 Å²	153	71 Å²	71	82%	0.818	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	8.5	178.2	-53.7	53.6	0	0	0	115
717	R	50.6	Low	70.4	Confident	221 Å²	221	68.9 Å²	68.9	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	31.5	177.6	-66	-171.5	-72.8	-174.2	-4.1	111.4	G715 I719	G715-R717 PolarHBondContact O-N 3.37Å; R717-I719 PolarHBondContact O-N 2.8Å
718	G	57.2	Low	70.5	Confident	56 Å²	56	67.6 Å²	67.6	58%	0.577	33%	0.325	S	S	*	.	S	Bend	trans	72.6	-30.3	180	0	0	0	0	0	116.1	T714 G715 S720	T714-G718 WeakPolarHBondContact CB-O 3.28Å; T714-G718 WeakPolarHBondContact CG2-O 3.2Å; G715-G718 PolarHBondContact O-N 2.97Å; G718-S720 PolarHBondContact O-N 2.94Å
719	I	60.2	Low	70.7	Confident	106 Å²	106	67.6 Å²	67.6	54%	0.544	33%	0.33	S	S	.	.			trans	-61.1	124.8	-176.6	-58.5	166	0	0	0	111.2	Y688 G715 R717	Y688-I719 HydrophobicContact CD1-CG2 4.44Å; G715-I719 PolarHBondContact N-O 3.49Å; R717-I719 PolarHBondContact O-N 2.8Å
720	S	64.9	Low	70.8	Confident	30 Å²	30	63.2 Å²	63.2	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	132.5	174.1	-65.3	0	0	0	0	112.4	Y688 G718 G722	Y688-S720 WeakPolarHBondContact CD1-O 3.44Å; Y688-S720 WeakPolarHBondContact CE1-O 3.45Å; G718-S720 PolarHBondContact O-N 2.94Å; S720-G722 PolarHBondContact O-N 3.42Å; S720-G722 VanDerWaalsContact O-N 3.13Å
721	R	67.3	Low	70.8	Confident	111 Å²	111	64.8 Å²	64.8	42%	0.419	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	13.2	177.2	-71.7	177.8	155.2	125.3	-9	114	Y688 I713 T714 Y723	Y688-R721 PolarHBondContact OH-O 3.49Å; I713-R721 WeakPolarHBondContact O-CB 3.35Å; I713-R721 PolarHBondContact O-N 3.19Å; T714-R721 PolarHBondContact O-NH1 2.91Å; R721-Y723 VanDerWaalsContact C-N 3.32Å; R721-Y723 HydrophobicContact CB-CD1 3.97Å; R721-Y723 HydrophobicContact CB-CE1 3.65Å; R721-Y723 VanDerWaalsContact O-CD1 3.3Å; R721-Y723 WeakPolarHBondContact O-CD1 3.38Å; R721-Y723 PolarHBondContact O-N 2.82Å
722	G	65.9	Low	70.9	Confident	4 Å²	4	64 Å²	64	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.3	14.9	179.6	0	0	0	0	0	115.3	S684 N685 L686 S720	S684-G722 CarbonylContact C-O 3.58Å; N685-G722 PolarHBondContact N-O 3.39Å; L686-G722 PolarHBondContact N-O 3.1Å; S720-G722 PolarHBondContact O-N 3.42Å; S720-G722 VanDerWaalsContact O-N 3.13Å
723	Y	79.8	Confident	71.1	Confident	77 Å²	77	62.3 Å²	62.3	30%	0.302	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.9	177.8	70.8	-96.9	0	0	0	112.6	F682 I683 I713 R721	F682-Y723 AromaticContact CE2-CD2 3.65Å; F682-Y723 HydrophobicContact CE2-CD2 3.65Å; F682-Y723 HydrophobicContact CE2-CE2 4.35Å; F682-Y723 HydrophobicContact CE2-CG 4.22Å; F682-Y723 HydrophobicContact CZ-CD2 4.15Å; F682-Y723 HydrophobicContact CZ-CG 4.29Å; I683-Y723 CarbonylContact O-C 3.57Å; I683-Y723 WeakPolarHBondContact O-CA 3.27Å; I683-Y723 WeakPolarHBondContact O-CB 3.33Å; I713-Y723 HydrophobicContact CB-CD2 4.26Å; I713-Y723 HydrophobicContact CB-CE2 3.75Å; I713-Y723 HydrophobicContact CD1-CE2 3.95Å; I713-Y723 HydrophobicContact CG1-CD2 4.48Å; I713-Y723 HydrophobicContact CG1-CE2 3.97Å; I713-Y723 HydrophobicContact CG2-CE2 4.18Å; I713-Y723 PolarHBondContact N-O 3.49Å; I713-Y723 VanDerWaalsContact N-O 3.11Å; R721-Y723 VanDerWaalsContact C-N 3.32Å; R721-Y723 HydrophobicContact CB-CD1 3.97Å; R721-Y723 HydrophobicContact CB-CE1 3.65Å; R721-Y723 VanDerWaalsContact O-CD1 3.3Å; R721-Y723 WeakPolarHBondContact O-CD1 3.38Å; R721-Y723 PolarHBondContact O-N 2.82Å
724	G	80.1	Confident	71.3	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-172.6	-179.7	0	0	0	0	0	113.2	I683 Q711	I683-G724 PolarHBondContact N-O 2.79Å; I683-G724 PolarHBondContact O-N 3.16Å; Q711-G724 CarbonylContact O-C 3.6Å; Q711-G724 VanDerWaalsContact O-CA 3.29Å; Q711-G724 WeakPolarHBondContact O-CA 3.47Å
725	Y	81.8	Confident	71.5	Confident	68 Å²	68	60.7 Å²	60.7	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147	177.6	-59.4	-94.9	0	0	0	110	V681 F682 Q711 I713	V681-Y725 CarbonylContact O-C 3.59Å; V681-Y725 VanDerWaalsContact O-CA 3.27Å; V681-Y725 WeakPolarHBondContact O-CA 3.48Å; F682-Y725 HydrophobicContact CB-CD1 4.33Å; F682-Y725 HydrophobicContact CB-CE1 4.28Å; F682-Y725 HydrophobicContact CD2-CD1 4.11Å; F682-Y725 AromaticContact CD2-CE1 3.64Å; F682-Y725 HydrophobicContact CD2-CE1 3.64Å; F682-Y725 HydrophobicContact CD2-CE2 4.36Å; F682-Y725 AromaticContact CD2-CZ 3.78Å; F682-Y725 HydrophobicContact CG-CE1 4.42Å; Q711-Y725 PolarHBondContact N-O 3.37Å; Q711-Y725 PolarHBondContact O-N 2.73Å; I713-Y725 HydrophobicContact CD1-CE2 3.91Å; I713-Y725 HydrophobicContact CG1-CE2 4.3Å
726	V	81.3	Confident	72.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.8	171	175.8	0	0	0	0	108.1	S680 V681 I683 I707 V710 F728	S680-V726 WeakPolarHBondContact CA-O 3.45Å; V681-V726 HydrophobicContact CG2-CB 3.84Å; V681-V726 PolarHBondContact N-O 3.38Å; V681-V726 PolarHBondContact O-N 3.07Å; I683-V726 HydrophobicContact CD1-CB 4.33Å; I683-V726 HydrophobicContact CD1-CG2 3.49Å; I683-V726 VanDerWaalsContact CD1-CG2 3.49Å; I707-V726 HydrophobicContact CD1-CG1 4.42Å; I707-V726 HydrophobicContact CG1-CG1 4.32Å; I707-V726 HydrophobicContact CG2-CG1 3.82Å; V710-V726 HydrophobicContact CG1-CG2 4.24Å; V710-V726 HydrophobicContact CG2-CG2 4.26Å; V726-F728 HydrophobicContact CG1-CE1 4.28Å; V726-F728 HydrophobicContact CG1-CE2 4.13Å; V726-F728 HydrophobicContact CG1-CZ 3.97Å
727	Q	81.1	Confident	73.5	Confident	30 Å²	30	56.6 Å²	56.6	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.7	175.9	-173.5	177.3	44.1	0	0	108.6	R708 R709	R708-Q727 WeakPolarHBondContact CA-O 3.4Å; R708-Q727 HydrophobicContact CB-CG 4.42Å; R708-Q727 WeakPolarHBondContact CB-O 3.48Å; R708-Q727 PolarHBondContact N-O 3.07Å; R709-Q727 HydrophobicContact CB-CB 4.39Å; R709-Q727 PolarHBondContact N-O 2.87Å; R709-Q727 VanDerWaalsContact N-O 3.15Å; R709-Q727 PolarHBondContact O-N 2.96Å
728	F	82.4	Confident	74.7	Confident	2 Å²	2	49 Å²	49	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	163.4	173.1	-63.4	-80.6	0	0	0	110.7	C679 V681 F701 C704 P706 I707 V726 S730 A733 V734 A737	C679-F728 WeakPolarHBondContact CB-O 3.45Å; C679-F728 PolarHBondContact O-N 3.42Å; V681-F728 HydrophobicContact CG1-CE2 4.19Å; V681-F728 HydrophobicContact CG2-CE2 3.79Å; F701-F728 HydrophobicContact CB-CE1 4.14Å; F701-F728 HydrophobicContact CB-CZ 4.08Å; F701-F728 AromaticContact CD1-CZ 3.98Å; F701-F728 HydrophobicContact CD1-CZ 3.98Å; F701-F728 HydrophobicContact CG-CZ 4.35Å; C704-F728 HydrophobicContact CB-CE1 4.31Å; C704-F728 HydrophobicContact CB-CZ 4.4Å; P706-F728 WeakPolarHBondContact O-CA 3.47Å; I707-F728 HydrophobicContact CG1-CD1 3.97Å; I707-F728 HydrophobicContact CG1-CE1 3.82Å; V726-F728 HydrophobicContact CG1-CE1 4.28Å; V726-F728 HydrophobicContact CG1-CE2 4.13Å; V726-F728 HydrophobicContact CG1-CZ 3.97Å; F728-S730 VanDerWaalsContact C-N 3.27Å; F728-A733 HydrophobicContact CB-CB 3.86Å; F728-A733 HydrophobicContact CD1-CB 3.63Å; F728-A733 HydrophobicContact CD2-CB 4.03Å; F728-A733 HydrophobicContact CE1-CB 4.14Å; F728-A733 HydrophobicContact CE2-CB 4.5Å; F728-A733 HydrophobicContact CG-CB 3.56Å; F728-V734 HydrophobicContact CD2-CG2 4.41Å; F728-A737 HydrophobicContact CE2-CB 3.77Å; F728-A737 HydrophobicContact CZ-CB 3.78Å
729	E	78.4	Confident	75.5	Confident	131 Å²	131	53 Å²	53	61%	0.612	28%	0.279	S	S	*	.	S	Bend	trans	-81.1	-9.1	170.7	-60.5	-175.2	153.7	0	0	112.9	P706 R708	P706-E729 HydrophobicContact CB-CB 4.45Å; P706-E729 HydrophobicContact CB-CG 4.37Å; P706-E729 WeakPolarHBondContact CB-OE2 3.37Å; P706-E729 HydrophobicContact CG-CB 4.17Å; P706-E729 PolarHBondContact O-N 3.3Å; R708-E729 HydrophobicContact CB-CG 3.8Å; R708-E729 HydrophobicContact CG-CG 4.35Å
730	S	77.3	Confident	76.1	Confident	54 Å²	54	49.6 Å²	49.6	38%	0.378	26%	0.262	S	S	.	.			trans	-141.5	130.9	-179.3	177.4	0	0	0	0	111.9	F728 A732 A733	F728-S730 VanDerWaalsContact C-N 3.27Å; S730-A732 PolarHBondContact O-N 3.09Å; S730-A732 VanDerWaalsContact O-N 3.11Å; S730-A732 PolarHBondContact OG-N 3.41Å; S730-A733 WeakPolarHBondContact O-CB 3.4Å; S730-A733 PolarHBondContact O-N 3.4Å
731	A	76.5	Confident	76.4	Confident	49 Å²	49	50.7 Å²	50.7	41%	0.405	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	173.7	0	0	0	0	0	113.2	C679 A733 V734 P735	C679-A731 PolarHBondContact SG-N 2.84Å; C679-A731 VanDerWaalsContact SG-N 3.39Å; A731-A733 PolarHBondContact O-N 3.38Å; A731-V734 WeakPolarHBondContact O-CB 3.4Å; A731-V734 PolarHBondContact O-N 3.14Å; A731-P735 WeakPolarHBondContact O-CD 3.36Å
732	A	75.9	Confident	76.4	Confident	70 Å²	70	53.9 Å²	53.9	58%	0.579	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.1	175.7	0	0	0	0	0	113.6	S730 P735	S730-A732 PolarHBondContact O-N 3.09Å; S730-A732 VanDerWaalsContact O-N 3.11Å; S730-A732 PolarHBondContact OG-N 3.41Å; A732-P735 WeakPolarHBondContact O-CD 3.44Å; A732-P735 WeakPolarHBondContact O-CG 3.47Å
733	A	77.3	Confident	76.7	Confident	5 Å²	5	58.3 Å²	58.3	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-76.9	-24.3	176.6	0	0	0	0	0	113	C704 F728 S730 A731 E736 A737	C704-A733 VanDerWaalsContact O-CB 3.29Å; C704-A733 WeakPolarHBondContact O-CB 3.24Å; F728-A733 HydrophobicContact CB-CB 3.86Å; F728-A733 HydrophobicContact CD1-CB 3.63Å; F728-A733 HydrophobicContact CD2-CB 4.03Å; F728-A733 HydrophobicContact CE1-CB 4.14Å; F728-A733 HydrophobicContact CE2-CB 4.5Å; F728-A733 HydrophobicContact CG-CB 3.56Å; S730-A733 WeakPolarHBondContact O-CB 3.4Å; S730-A733 PolarHBondContact O-N 3.4Å; A731-A733 PolarHBondContact O-N 3.38Å; A733-E736 PolarHBondContact O-N 3.38Å; A733-A737 WeakPolarHBondContact O-CB 3.47Å; A733-A737 PolarHBondContact O-N 3.37Å
734	V	75.9	Confident	76.1	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-52.3	-179.6	175.1	0	0	0	0	112.8	V681 F728 A731 E736 A737 L738	V681-V734 HydrophobicContact CG1-CB 4.38Å; V681-V734 HydrophobicContact CG1-CG1 3.92Å; V681-V734 HydrophobicContact CG1-CG2 4.29Å; F728-V734 HydrophobicContact CD2-CG2 4.41Å; A731-V734 WeakPolarHBondContact O-CB 3.4Å; A731-V734 PolarHBondContact O-N 3.14Å; V734-E736 VanDerWaalsContact C-N 3.28Å; V734-E736 PolarHBondContact O-N 2.84Å; V734-A737 PolarHBondContact O-N 2.87Å; V734-L738 WeakPolarHBondContact O-CG 3.47Å; V734-L738 PolarHBondContact O-N 3.18Å; V734-L738 VanDerWaalsContact O-N 3.08Å
735	P	74.3	Confident	75.5	Confident	68 Å²	68	62.4 Å²	62.4	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-24.6	178.3	25.8	-35.8	0	0	0	114.3	A731 A732	A731-P735 WeakPolarHBondContact O-CD 3.36Å; A732-P735 WeakPolarHBondContact O-CD 3.44Å; A732-P735 WeakPolarHBondContact O-CG 3.47Å
736	E	77.6	Confident	74.6	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-75.9	-42.1	172.6	-63.4	-55	133	0	0	111.4	C704 A733 V734 L738 K739	C704-E736 HydrophobicContact CB-CB 4.16Å; A733-E736 PolarHBondContact O-N 3.38Å; V734-E736 VanDerWaalsContact C-N 3.28Å; V734-E736 PolarHBondContact O-N 2.84Å; E736-L738 VanDerWaalsContact C-N 3.26Å; E736-L738 PolarHBondContact O-N 3.38Å; E736-K739 WeakPolarHBondContact O-CB 3.47Å; E736-K739 PolarHBondContact O-N 3.04Å; E736-K739 WeakPolarHBondContact OE1-CE 3.37Å; E736-K739 IonicContact OE1-NZ 3.17Å; E736-K739 PolarHBondContact OE1-NZ 3.4Å; E736-K739 WeakPolarHBondContact OE2-CE 3.5Å; E736-K739 IonicContact OE2-NZ 3.23Å; E736-K739 PolarHBondContact OE2-NZ 2.89Å
737	A	76.9	Confident	73.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-34.4	174.7	0	0	0	0	0	112.5	V681 F701 C704 F728 A733 V734 K739 L740 V752	V681-A737 HydrophobicContact CG1-CB 4.17Å; F701-A737 HydrophobicContact CD1-CB 3.93Å; F701-A737 HydrophobicContact CE1-CB 3.9Å; C704-A737 HydrophobicContact CB-CB 4.42Å; F728-A737 HydrophobicContact CE2-CB 3.77Å; F728-A737 HydrophobicContact CZ-CB 3.78Å; A733-A737 WeakPolarHBondContact O-CB 3.47Å; A733-A737 PolarHBondContact O-N 3.37Å; V734-A737 PolarHBondContact O-N 2.87Å; A737-K739 PolarHBondContact O-N 3.13Å; A737-L740 WeakPolarHBondContact O-CB 3.38Å; A737-L740 PolarHBondContact O-N 2.95Å; A737-L740 VanDerWaalsContact O-N 3.1Å; A737-V752 WeakPolarHBondContact O-CG1 3.43Å
738	L	75.4	Confident	72.8	Confident	60 Å²	60	69.8 Å²	69.8	31%	0.314	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.2	-22.9	174.1	-68.2	174	0	0	0	113.7	V734 E736 L740 D741 V752 P754	V734-L738 WeakPolarHBondContact O-CG 3.47Å; V734-L738 PolarHBondContact O-N 3.18Å; V734-L738 VanDerWaalsContact O-N 3.08Å; E736-L738 VanDerWaalsContact C-N 3.26Å; E736-L738 PolarHBondContact O-N 3.38Å; L738-L740 PolarHBondContact O-N 3.41Å; L738-D741 PolarHBondContact O-N 3.22Å; L738-V752 HydrophobicContact CD2-CG1 4.48Å; L738-P754 HydrophobicContact CD1-CG 4.19Å; L738-P754 HydrophobicContact CD2-CG 4.17Å
739	K	75.5	Confident	72	Confident	142 Å²	142	71.9 Å²	71.9	62%	0.617	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-74.6	-10	174.5	-57.7	176.8	-166.3	167.8	0	113.1	E736 A737 D741	E736-K739 WeakPolarHBondContact O-CB 3.47Å; E736-K739 PolarHBondContact O-N 3.04Å; E736-K739 WeakPolarHBondContact OE1-CE 3.37Å; E736-K739 IonicContact OE1-NZ 3.17Å; E736-K739 PolarHBondContact OE1-NZ 3.4Å; E736-K739 WeakPolarHBondContact OE2-CE 3.5Å; E736-K739 IonicContact OE2-NZ 3.23Å; E736-K739 PolarHBondContact OE2-NZ 2.89Å; A737-K739 PolarHBondContact O-N 3.13Å; K739-D741 VanDerWaalsContact C-N 3.34Å
740	L	72.3	Confident	71.9	Confident	34 Å²	34	65.8 Å²	65.8	18%	0.178	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-89.5	5.6	174.5	-59	-176.3	0	0	0	113.2	F701 C704 A737 L738 R742 K743	F701-L740 HydrophobicContact CD1-CD1 3.94Å; F701-L740 HydrophobicContact CE1-CB 4.31Å; F701-L740 HydrophobicContact CE1-CD1 3.76Å; F701-L740 HydrophobicContact CZ-CD1 4.34Å; C704-L740 VanDerWaalsContact SG-CD1 3.56Å; A737-L740 WeakPolarHBondContact O-CB 3.38Å; A737-L740 PolarHBondContact O-N 2.95Å; A737-L740 VanDerWaalsContact O-N 3.1Å; L738-L740 PolarHBondContact O-N 3.41Å; L740-R742 PolarHBondContact O-N 3.24Å; L740-K743 HydrophobicContact CD2-CD 4.22Å; L740-K743 WeakPolarHBondContact O-CB 3.5Å; L740-K743 PolarHBondContact O-N 2.97Å
741	D	71.3	Confident	71.8	Confident	53 Å²	53	65.5 Å²	65.5	28%	0.283	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135.9	169.9	-169.2	56.9	0	0	0	110.9	L738 K739 K743 F751 V752	L738-D741 PolarHBondContact O-N 3.22Å; K739-D741 VanDerWaalsContact C-N 3.34Å; D741-K743 VanDerWaalsContact C-N 3.28Å; D741-K743 PolarHBondContact O-N 3.48Å; D741-F751 WeakPolarHBondContact OD1-CA 3.42Å; D741-V752 PolarHBondContact OD1-N 3Å
742	R	67.5	Low	71.8	Confident	177 Å²	177	63.4 Å²	63.4	67%	0.668	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	4.9	-177.8	-39.3	-171.4	-178.7	-165.4	-2.3	116.8	L740 E744 P749 M750 F751	L740-R742 PolarHBondContact O-N 3.24Å; R742-E744 PolarHBondContact O-N 3.39Å; R742-P749 HydrophobicContact CB-CB 4.36Å; R742-M750 WeakPolarHBondContact CA-O 3.36Å; R742-M750 PolarHBondContact N-O 3.3Å; R742-F751 HydrophobicContact CG-CD1 4.25Å; R742-F751 HydrophobicContact CG-CE1 4.16Å
743	K	72.6	Confident	71.8	Confident	97 Å²	97	60.5 Å²	60.5	42%	0.422	30%	0.304	S	S	.	.			trans	-61.5	130.4	172.9	-173.1	173.6	-179.7	-179.8	0	110.4	L740 D741 M750	L740-K743 HydrophobicContact CD2-CD 4.22Å; L740-K743 WeakPolarHBondContact O-CB 3.5Å; L740-K743 PolarHBondContact O-N 2.97Å; D741-K743 VanDerWaalsContact C-N 3.28Å; D741-K743 PolarHBondContact O-N 3.48Å; K743-M750 WeakPolarHBondContact O-CB 3.26Å; K743-M750 PolarHBondContact O-N 3.46Å
744	E	67.3	Low	71.6	Confident	144 Å²	144	62.8 Å²	62.8	67%	0.673	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.4	-179.3	-65.3	-166.9	154.8	0	0	112.5	R742 R748	R742-E744 PolarHBondContact O-N 3.39Å; E744-R748 CarbonylContact C-O 3.58Å; E744-R748 WeakPolarHBondContact CA-O 3.32Å
745	V	67.7	Low	71.2	Confident	22 Å²	22	62.6 Å²	62.6	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.4	168.6	176.1	0	0	0	0	107.6	L690 L700 G747 R748 M750	L690-V745 HydrophobicContact CD1-CG1 4.15Å; L700-V745 HydrophobicContact CD1-CG2 3.78Å; V745-G747 VanDerWaalsContact C-N 3.33Å; V745-G747 PolarHBondContact O-N 3.44Å; V745-R748 PolarHBondContact N-O 2.98Å; V745-R748 PolarHBondContact O-N 3.35Å; V745-R748 VanDerWaalsContact O-N 3.09Å; V745-M750 HydrophobicContact CG2-CE 3.62Å
746	E	62.4	Low	70.8	Confident	96 Å²	96	61.7 Å²	61.7	45%	0.449	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	49.6	-179.5	-64.6	-179.1	-177.2	0	0	113.4	A687 L690 K696 R748	A687-E746 HydrophobicContact CB-CB 4.45Å; L690-E746 HydrophobicContact CD1-CG 4.19Å; L690-E746 VanDerWaalsContact CD1-OE1 3.25Å; L690-E746 WeakPolarHBondContact CD1-OE1 3.35Å; L690-E746 VanDerWaalsContact CD1-OE2 3.26Å; L690-E746 WeakPolarHBondContact CD1-OE2 3.49Å; K696-E746 IonicContact NZ-OE1 3.52Å; K696-E746 PolarHBondContact NZ-OE1 3.46Å; E746-R748 VanDerWaalsContact C-N 3.29Å; E746-R748 PolarHBondContact O-N 3.14Å
747	G	57.6	Low	69.8	Low	67 Å²	67	59.5 Å²	59.5	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	16.2	177.4	0	0	0	0	0	114.9	V745	V745-G747 VanDerWaalsContact C-N 3.33Å; V745-G747 PolarHBondContact O-N 3.44Å
748	R	65.9	Low	68.7	Low	91 Å²	91	67.6 Å²	67.6	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.2	174.7	-69.2	-173.5	170.7	-165.7	-1.9	112	E744 V745 E746 M750	E744-R748 CarbonylContact C-O 3.58Å; E744-R748 WeakPolarHBondContact CA-O 3.32Å; V745-R748 PolarHBondContact N-O 2.98Å; V745-R748 PolarHBondContact O-N 3.35Å; V745-R748 VanDerWaalsContact O-N 3.09Å; E746-R748 VanDerWaalsContact C-N 3.29Å; E746-R748 PolarHBondContact O-N 3.14Å; R748-M750 PolarHBondContact O-N 2.91Å
749	P	66.9	Low	67.7	Low	45 Å²	45	70 Å²	70	29%	0.292	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.8	171	27.8	-32.8	0	0	0	109.8	N685 R742 F751	N685-P749 PolarHBondContact ND2-O 3.11Å; R742-P749 HydrophobicContact CB-CB 4.36Å; P749-F751 HydrophobicContact CB-CE1 4.45Å; P749-F751 HydrophobicContact CB-CZ 4.46Å; P749-F751 HydrophobicContact CG-CZ 4.09Å
750	M	75.9	Confident	66.5	Low	4 Å²	4	70.7 Å²	70.7	2%	0.02	36%	0.357	C	S	.	.			trans	-68.7	135.5	168.3	-174.7	-167.8	-52.2	0	0	109	I683 L686 L697 L700 F701 R742 K743 V745 R748 V752	I683-M750 HydrophobicContact CD1-SD 4.45Å; I683-M750 HydrophobicContact CG2-CG 3.52Å; I683-M750 HydrophobicContact CG2-SD 3.57Å; I683-M750 VanDerWaalsContact CG2-SD 3.57Å; L686-M750 HydrophobicContact CD2-CE 4.02Å; L686-M750 HydrophobicContact CD2-CG 3.93Å; L686-M750 HydrophobicContact CD2-SD 4.4Å; L697-M750 HydrophobicContact CD2-CE 3.61Å; L697-M750 HydrophobicContact CD2-SD 4.17Å; L700-M750 HydrophobicContact CD1-CE 3.9Å; F701-M750 HydrophobicContact CE2-CE 4.2Å; F701-M750 HydrophobicContact CE2-SD 3.67Å; F701-M750 HydrophobicContact CZ-SD 3.68Å; R742-M750 WeakPolarHBondContact CA-O 3.36Å; R742-M750 PolarHBondContact N-O 3.3Å; K743-M750 WeakPolarHBondContact O-CB 3.26Å; K743-M750 PolarHBondContact O-N 3.46Å; V745-M750 HydrophobicContact CG2-CE 3.62Å; R748-M750 PolarHBondContact O-N 2.91Å; M750-V752 HydrophobicContact CG-CG2 4.36Å; M750-V752 HydrophobicContact SD-CG2 4.04Å
751	F	73.9	Confident	65.4	Low	47 Å²	47	73.5 Å²	73.5	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.8	170.4	-56.1	-66.3	0	0	0	111.3	I683 S684 N685 D741 R742 P749 F767	I683-F751 CarbonylContact C-O 3.53Å; I683-F751 WeakPolarHBondContact CA-O 3.47Å; S684-F751 PolarHBondContact N-O 2.98Å; S684-F751 PolarHBondContact O-N 3.34Å; N685-F751 HydrophobicContact CB-CD2 3.49Å; N685-F751 VanDerWaalsContact CB-CD2 3.49Å; N685-F751 HydrophobicContact CB-CE2 3.65Å; D741-F751 WeakPolarHBondContact OD1-CA 3.42Å; R742-F751 HydrophobicContact CG-CD1 4.25Å; R742-F751 HydrophobicContact CG-CE1 4.16Å; P749-F751 HydrophobicContact CB-CE1 4.45Å; P749-F751 HydrophobicContact CB-CZ 4.46Å; P749-F751 HydrophobicContact CG-CZ 4.09Å; F751-F767 HydrophobicContact CB-CE1 3.68Å; F751-F767 HydrophobicContact CB-CZ 3.56Å; F751-F767 HydrophobicContact CD1-CE1 4.49Å; F751-F767 HydrophobicContact CG-CE1 4.14Å; F751-F767 HydrophobicContact CG-CZ 4.37Å
752	V	76.8	Confident	64.4	Low	5 Å²	5	76.3 Å²	76.3	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.4	-177.1	-168.1	0	0	0	0	109.8	V681 F682 F701 A737 L738 D741 M750	V681-V752 HydrophobicContact CB-CG1 4.27Å; V681-V752 HydrophobicContact CG2-CG1 4.4Å; F682-V752 WeakPolarHBondContact O-CA 3.4Å; F701-V752 HydrophobicContact CE1-CG1 4.36Å; F701-V752 HydrophobicContact CE1-CG2 4.31Å; F701-V752 HydrophobicContact CZ-CG1 4.48Å; F701-V752 HydrophobicContact CZ-CG2 3.86Å; A737-V752 WeakPolarHBondContact O-CG1 3.43Å; L738-V752 HydrophobicContact CD2-CG1 4.48Å; D741-V752 PolarHBondContact OD1-N 3Å; M750-V752 HydrophobicContact CG-CG2 4.36Å; M750-V752 HydrophobicContact SD-CG2 4.04Å
753	S	76.2	Confident	63.3	Low	9 Å²	9	76.3 Å²	76.3	6%	0.063	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.2	-175.7	-63.8	0	0	0	0	112.7	V681 F682 V766 F767	V681-S753 CarbonylContact C-O 3.57Å; V681-S753 WeakPolarHBondContact CA-O 3.45Å; F682-S753 PolarHBondContact N-O 3.24Å; F682-S753 PolarHBondContact O-N 2.69Å; S753-V766 WeakPolarHBondContact OG-CG1 3.37Å; S753-F767 WeakPolarHBondContact OG-CZ 3.34Å
754	P	74.1	Confident	62	Low	53 Å²	53	77 Å²	77	34%	0.344	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.3	175.7	-17.6	31.4	0	0	0	111.5	L738 V756	L738-P754 HydrophobicContact CD1-CG 4.19Å; L738-P754 HydrophobicContact CD2-CG 4.17Å; P754-V756 HydrophobicContact CB-CG2 4.3Å; P754-V756 PolarHBondContact O-N 3.09Å
755	C	67.8	Low	61	Low	16 Å²	16	78.7 Å²	78.7	11%	0.108	41%	0.409	C	S	.	.			trans	-75.3	116.4	167.9	-167.2	0	0	0	0	109.7	S680	S680-C755 WeakPolarHBondContact O-CB 3.22Å; S680-C755 PolarHBondContact O-N 2.69Å
756	V	64.6	Low	60	Low	49 Å²	49	80.3 Å²	80.3	30%	0.297	42%	0.419	S	S	.	.			trans	-125.5	125.3	177.8	-176.8	0	0	0	0	108.9	P754 K758 N761 F764	P754-V756 HydrophobicContact CB-CG2 4.3Å; P754-V756 PolarHBondContact O-N 3.09Å; V756-K758 PolarHBondContact O-N 3.3Å; V756-N761 HydrophobicContact CG1-CB 4.34Å; V756-F764 HydrophobicContact CB-CD1 4.01Å; V756-F764 HydrophobicContact CB-CE1 4.38Å; V756-F764 HydrophobicContact CG1-CB 4.3Å; V756-F764 HydrophobicContact CG1-CD1 4.01Å; V756-F764 HydrophobicContact CG1-CG 4.19Å; V756-F764 HydrophobicContact CG2-CD1 3.86Å; V756-F764 HydrophobicContact CG2-CE1 3.74Å; V756-F764 HydrophobicContact CG2-CZ 4.44Å
757	D	56.9	Low	59	Low	38 Å²	38	79.1 Å²	79.1	20%	0.203	41%	0.412	C	S	.	.			trans	-78.9	118.7	-175.4	-159.6	30.1	0	0	0	112	R675 T759 K760 N761	R675-D757 IonicContact CZ-OD1 3.31Å; R675-D757 IonicContact NH1-OD1 2.67Å; R675-D757 PolarHBondContact NH1-OD1 2.98Å; R675-D757 IonicContact NH1-OD2 2.64Å; D757-T759 PolarHBondContact O-N 2.86Å; D757-T759 VanDerWaalsContact O-N 3.09Å; D757-T759 PolarHBondContact OD2-OG1 3.21Å; D757-K760 PolarHBondContact O-N 3.02Å; D757-N761 PolarHBondContact O-N 3.24Å
758	K	54.4	Low	58	Low	171 Å²	171	85.5 Å²	85.5	74%	0.743	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.3	-172	-66.2	179.2	178.1	177.9	0	113.8	V756	V756-K758 PolarHBondContact O-N 3.3Å
759	T	53.1	Low	56.8	Low	109 Å²	109	89.6 Å²	89.6	67%	0.669	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.1	176	60.1	0	0	0	0	112.8	D757	D757-T759 PolarHBondContact O-N 2.86Å; D757-T759 VanDerWaalsContact O-N 3.09Å; D757-T759 PolarHBondContact OD2-OG1 3.21Å
760	K	51.8	Low	55.5	Low	158 Å²	158	92.2 Å²	92.2	69%	0.687	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-22.8	-175.9	-67.4	173.8	-175.4	165.6	0	113.1	D757	D757-K760 PolarHBondContact O-N 3.02Å
761	N	48.7	Very low	54	Low	93 Å²	93	95.8 Å²	95.8	50%	0.497	47%	0.472	S	S	.	.			trans	-143	79.1	178.8	-98.8	-29.6	0	0	0	110.8	V756 D757 E763 F764	V756-N761 HydrophobicContact CG1-CB 4.34Å; D757-N761 PolarHBondContact O-N 3.24Å; N761-E763 PolarHBondContact O-N 3.42Å; N761-F764 HydrophobicContact CB-CB 4.05Å; N761-F764 PolarHBondContact O-N 2.86Å
762	P	50.9	Low	52.8	Low	111 Å²	111	96.4 Å²	96.4	72%	0.721	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.8	-178.8	25.3	-34.3	0	0	0	113.8
763	E	43.8	Very low	51.7	Low	177 Å²	177	101 Å²	101	83%	0.827	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.2	177.8	-61.9	-157.1	125.6	0	0	114.6	N761 K765	N761-E763 PolarHBondContact O-N 3.42Å; E763-K765 VanDerWaalsContact C-N 3.33Å; E763-K765 PolarHBondContact O-N 2.74Å
764	F	45.3	Very low	51.3	Low	111 Å²	111	103.7 Å²	103.7	49%	0.487	52%	0.516	S	S	.	.			trans	-77	79.7	-171	-161.9	-91.6	0	0	0	112.7	V756 N761 V766	V756-F764 HydrophobicContact CB-CD1 4.01Å; V756-F764 HydrophobicContact CB-CE1 4.38Å; V756-F764 HydrophobicContact CG1-CB 4.3Å; V756-F764 HydrophobicContact CG1-CD1 4.01Å; V756-F764 HydrophobicContact CG1-CG 4.19Å; V756-F764 HydrophobicContact CG2-CD1 3.86Å; V756-F764 HydrophobicContact CG2-CE1 3.74Å; V756-F764 HydrophobicContact CG2-CZ 4.44Å; N761-F764 HydrophobicContact CB-CB 4.05Å; N761-F764 PolarHBondContact O-N 2.86Å; F764-V766 HydrophobicContact CD1-CG2 4.04Å; F764-V766 HydrophobicContact CE1-CG2 4.3Å; F764-V766 PolarHBondContact O-N 2.9Å
765	K	45.8	Very low	51	Low	180 Å²	180	105.5 Å²	105.5	78%	0.783	52%	0.518	S	S	*	.			trans	-73.8	92.8	175.1	-69.4	174.1	-177.4	170.3	0	110	E763 F767	E763-K765 VanDerWaalsContact C-N 3.33Å; E763-K765 PolarHBondContact O-N 2.74Å; K765-F767 PolarHBondContact O-N 3.31Å
766	V	47	Very low	51.4	Low	56 Å²	56	108.6 Å²	108.6	34%	0.339	53%	0.531	S	S	.	.	S	Bend	trans	-47.2	-32.5	-172.8	-178.7	0	0	0	0	114.9	S753 F764	S753-V766 WeakPolarHBondContact OG-CG1 3.37Å; F764-V766 HydrophobicContact CD1-CG2 4.04Å; F764-V766 HydrophobicContact CE1-CG2 4.3Å; F764-V766 PolarHBondContact O-N 2.9Å
767	F	42.3	Very low	52.1	Low	71 Å²	71	108 Å²	108	31%	0.311	52%	0.524	S	S	.	.			trans	-112.5	102.2	176.1	-71.9	-79.1	0	0	0	112.2	F682 F751 S753 K765 Y769	F682-F767 HydrophobicContact CE1-CE2 4.27Å; F751-F767 HydrophobicContact CB-CE1 3.68Å; F751-F767 HydrophobicContact CB-CZ 3.56Å; F751-F767 HydrophobicContact CD1-CE1 4.49Å; F751-F767 HydrophobicContact CG-CE1 4.14Å; F751-F767 HydrophobicContact CG-CZ 4.37Å; S753-F767 WeakPolarHBondContact OG-CZ 3.34Å; K765-F767 PolarHBondContact O-N 3.31Å; F767-Y769 HydrophobicContact CB-CE2 4.36Å; F767-Y769 PolarHBondContact O-N 2.85Å
768	K	36.8	Very low	53.4	Low	201 Å²	201	106.1 Å²	106.1	87%	0.874	51%	0.514	S	S	*	.			trans	-89.8	87.4	172.8	-164.3	177	-171.4	178.5	0	110	N770	K768-N770 PolarHBondContact O-N 3.46Å
769	Y	39.4	Very low	54.7	Low	177 Å²	177	100.5 Å²	100.5	69%	0.694	49%	0.49	S	S	*	.			trans	-58.5	126.1	167	-67.2	-78.7	0	0	0	109.1	F767 T771	F767-Y769 HydrophobicContact CB-CE2 4.36Å; F767-Y769 PolarHBondContact O-N 2.85Å; Y769-T771 PolarHBondContact O-N 2.86Å; Y769-T771 PolarHBondContact O-OG1 3.27Å
770	N	40.4	Very low	56.1	Low	100 Å²	100	95.4 Å²	95.4	54%	0.535	46%	0.459	S	S	.	.			trans	-63.5	128.1	-179.7	-170.6	15.1	0	0	0	109.5	K768 S772	K768-N770 PolarHBondContact O-N 3.46Å; N770-S772 PolarHBondContact ND2-OG 3.08Å; N770-S772 PolarHBondContact OD1-N 2.96Å; N770-S772 PolarHBondContact OD1-OG 2.94Å
771	T	43.1	Very low	57.5	Low	80 Å²	80	89.3 Å²	89.3	49%	0.491	44%	0.436	S	S	.	.			trans	-110.3	11.4	-172.5	-18	0	0	0	0	112.3	Y769 R855	Y769-T771 PolarHBondContact O-N 2.86Å; Y769-T771 PolarHBondContact O-OG1 3.27Å; T771-R855 HydrophobicContact CG2-CG 4.37Å
772	S	49.7	Very low	58.7	Low	59 Å²	59	86.5 Å²	86.5	41%	0.413	43%	0.429	S	S	.	.	S	Bend	trans	-77.7	149.9	162.9	62.7	0	0	0	0	110.4	N770 E774	N770-S772 PolarHBondContact ND2-OG 3.08Å; N770-S772 PolarHBondContact OD1-N 2.96Å; N770-S772 PolarHBondContact OD1-OG 2.94Å; S772-E774 PolarHBondContact O-N 3.43Å
773	M	53.2	Low	60.1	Low	102 Å²	102	81.5 Å²	81.5	50%	0.502	40%	0.396	S	S	.	.			trans	-54.9	124.8	170.6	-64.8	-156.3	-61.4	0	0	110.9	K775 N852	M773-K775 VanDerWaalsContact C-N 3.27Å; M773-K775 PolarHBondContact O-N 2.82Å; M773-N852 HydrophobicContact CG-CB 4.16Å; M773-N852 HydrophobicContact SD-CB 4.03Å
774	E	67.9	Low	61.5	Low	65 Å²	65	73.6 Å²	73.6	30%	0.304	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	75	177.8	-67.5	-166	172	0	0	108.8	S772 H776 K777 S851	S772-E774 PolarHBondContact O-N 3.43Å; E774-H776 PolarHBondContact O-N 3.3Å; E774-K777 HydrophobicContact CB-CB 4.1Å; E774-K777 WeakPolarHBondContact O-CA 3.22Å; E774-K777 WeakPolarHBondContact O-CB 3.4Å; E774-K777 PolarHBondContact O-N 3.35Å; E774-K777 WeakPolarHBondContact OE2-CD 3.42Å; E774-K777 IonicContact OE2-NZ 2.67Å; E774-K777 PolarHBondContact OE2-NZ 3.4Å; E774-S851 PolarHBondContact N-O 2.96Å
775	K	67.6	Low	62.8	Low	92 Å²	92	75.6 Å²	75.6	40%	0.4	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-23.7	-169.3	-58.1	-170.8	-177.1	-179.9	0	116	M773 K777 E826 A829	M773-K775 VanDerWaalsContact C-N 3.27Å; M773-K775 PolarHBondContact O-N 2.82Å; K775-K777 VanDerWaalsContact C-N 3.27Å; K775-E826 HydrophobicContact CB-CG 4.05Å; K775-E826 HydrophobicContact CD-CG 4.13Å; K775-E826 WeakPolarHBondContact CD-OE1 3.18Å; K775-E826 WeakPolarHBondContact CD-OE2 3.35Å; K775-E826 VanDerWaalsContact NZ-CD 3.26Å; K775-E826 IonicContact NZ-OE1 3.18Å; K775-E826 PolarHBondContact NZ-OE1 2.94Å; K775-E826 IonicContact NZ-OE2 2.56Å; K775-E826 PolarHBondContact NZ-OE2 3.26Å; K775-E826 VanDerWaalsContact NZ-OE2 3.08Å; K775-A829 WeakPolarHBondContact O-CB 3.49Å
776	H	77.4	Confident	64	Low	80 Å²	80	70.5 Å²	70.5	37%	0.37	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-3.6	175.6	-51.4	-65.3	0	0	0	113.1	E774 F823 E826	E774-H776 PolarHBondContact O-N 3.3Å; H776-F823 PolarHBondContact O-N 2.82Å; H776-E826 PolarHBondContact ND1-N 3.41Å
777	K	79.6	Confident	65.1	Low	36 Å²	36	68.2 Å²	68.2	16%	0.157	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.2	-176	-176.7	169.8	-72	135.3	0	110.5	E774 K775 Y820 V821 E822 S851	E774-K777 HydrophobicContact CB-CB 4.1Å; E774-K777 WeakPolarHBondContact O-CA 3.22Å; E774-K777 WeakPolarHBondContact O-CB 3.4Å; E774-K777 PolarHBondContact O-N 3.35Å; E774-K777 WeakPolarHBondContact OE2-CD 3.42Å; E774-K777 IonicContact OE2-NZ 2.67Å; E774-K777 PolarHBondContact OE2-NZ 3.4Å; K775-K777 VanDerWaalsContact C-N 3.27Å; K777-Y820 HydrophobicContact CD-CD1 4.14Å; K777-Y820 HydrophobicContact CG-CD1 4.38Å; K777-V821 CarbonylContact C-O 3.59Å; K777-V821 WeakPolarHBondContact CA-O 3.24Å; K777-E822 WeakPolarHBondContact CE-OE2 3.25Å; K777-E822 IonicContact NZ-OE2 3.96Å; K777-E822 PolarHBondContact NZ-OE2 2.96Å; K777-S851 WeakPolarHBondContact O-CB 3.25Å; K777-S851 PolarHBondContact O-N 2.88Å
778	I	82.6	Confident	66.7	Low	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.5	169.4	62.9	167.7	0	0	0	110.5	I780 Y820 V821 F823 A829 A832 V833 V848 A849	I778-I780 HydrophobicContact CD1-CD1 3.83Å; I778-I780 HydrophobicContact CD1-CG1 3.91Å; I778-I780 HydrophobicContact CG1-CG1 4.32Å; I778-Y820 WeakPolarHBondContact O-CA 3.39Å; I778-V821 HydrophobicContact CD1-CB 4.17Å; I778-V821 HydrophobicContact CG1-CB 3.77Å; I778-V821 PolarHBondContact N-O 3.45Å; I778-V821 PolarHBondContact O-N 2.97Å; I778-F823 HydrophobicContact CD1-CE2 3.72Å; I778-F823 HydrophobicContact CD1-CZ 4.43Å; I778-F823 HydrophobicContact CG1-CD2 4.5Å; I778-F823 HydrophobicContact CG1-CE2 3.92Å; I778-F823 HydrophobicContact CG2-CE2 4.39Å; I778-A829 HydrophobicContact CG2-CB 4.01Å; I778-A829 WeakPolarHBondContact CG2-O 3.25Å; I778-A832 HydrophobicContact CD1-CB 4.18Å; I778-V833 HydrophobicContact CG2-CG2 3.76Å; I778-V848 HydrophobicContact CB-CG1 4.16Å; I778-V848 HydrophobicContact CD1-CG1 3.67Å; I778-V848 HydrophobicContact CG1-CG1 4.44Å; I778-A849 CarbonylContact C-O 3.59Å; I778-A849 VanDerWaalsContact CA-O 3.3Å; I778-A849 WeakPolarHBondContact CA-O 3.37Å
779	F	83.2	Confident	68.5	Low	53 Å²	53	62 Å²	62	23%	0.232	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	168.6	169.7	-110.1	0	0	0	107.9	L818 Y820 V848 A849	F779-L818 HydrophobicContact CE2-CB 4.2Å; F779-L818 HydrophobicContact CE2-CD1 4.39Å; F779-L818 HydrophobicContact CE2-CD2 4.2Å; F779-L818 HydrophobicContact CZ-CD1 4.36Å; F779-L818 HydrophobicContact CZ-CD2 3.8Å; F779-L818 HydrophobicContact CZ-CG 4.5Å; F779-Y820 HydrophobicContact CB-CD1 4.2Å; F779-Y820 HydrophobicContact CB-CE1 4.04Å; F779-Y820 HydrophobicContact CD2-CD1 4.11Å; F779-Y820 AromaticContact CD2-CE1 3.59Å; F779-Y820 HydrophobicContact CD2-CE1 3.59Å; F779-Y820 HydrophobicContact CD2-CE2 4.06Å; F779-Y820 AromaticContact CD2-CZ 3.56Å; F779-Y820 HydrophobicContact CE2-CE1 4.48Å; F779-Y820 HydrophobicContact CE2-CE2 4.35Å; F779-Y820 HydrophobicContact CG-CE1 4.2Å; F779-V848 WeakPolarHBondContact O-CA 3.28Å; F779-A849 PolarHBondContact N-O 3.09Å; F779-A849 PolarHBondContact O-N 3.21Å
780	I	80.9	Confident	70.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.4	178.9	-54.7	176	0	0	0	107.6	I778 L783 L792 L818 A819 V821 I846 S847 V848	I778-I780 HydrophobicContact CD1-CD1 3.83Å; I778-I780 HydrophobicContact CD1-CG1 3.91Å; I778-I780 HydrophobicContact CG1-CG1 4.32Å; I780-L783 HydrophobicContact CB-CD1 4.26Å; I780-L783 HydrophobicContact CG2-CD1 3.76Å; I780-L783 HydrophobicContact CG2-CD2 4.12Å; I780-L783 HydrophobicContact CG2-CG 3.78Å; I780-L792 HydrophobicContact CD1-CD1 3.82Å; I780-L792 HydrophobicContact CD1-CD2 4.41Å; I780-L792 HydrophobicContact CD1-CG 4.35Å; I780-L818 CarbonylContact O-C 3.58Å; I780-L818 WeakPolarHBondContact O-CA 3.17Å; I780-A819 PolarHBondContact N-O 3.27Å; I780-A819 PolarHBondContact O-N 2.86Å; I780-V821 HydrophobicContact CD1-CG2 3.89Å; I780-I846 HydrophobicContact CG2-CB 4.33Å; I780-I846 HydrophobicContact CG2-CD1 4.47Å; I780-S847 WeakPolarHBondContact CA-O 3.35Å; I780-V848 HydrophobicContact CG1-CG1 4.19Å; I780-V848 HydrophobicContact CG1-CG2 4.14Å; I780-V848 HydrophobicContact CG2-CG2 4.2Å
781	S	81.8	Confident	72	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.9	178.8	62.8	0	0	0	0	111.1	L818 I846 S847	S781-L818 VanDerWaalsContact CB-CD2 3.44Å; S781-I846 CarbonylContact O-C 3.52Å; S781-I846 VanDerWaalsContact O-CA 3.3Å; S781-I846 WeakPolarHBondContact O-CA 3.15Å; S781-S847 PolarHBondContact N-O 2.95Å; S781-S847 PolarHBondContact O-N 3.05Å; S781-S847 PolarHBondContact OG-O 2.99Å
782	G	74.1	Confident	73.6	Confident	35 Å²	35	54.7 Å²	54.7	36%	0.361	28%	0.283	S	S	.	.			trans	83.5	14.8	-175.2	0	0	0	0	0	114.4	G817 N844	G782-G817 PolarHBondContact N-O 2.71Å; G782-G817 VanDerWaalsContact N-O 3.13Å; G782-N844 WeakPolarHBondContact O-CB 3.12Å
783	L	79.4	Confident	75	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.275	C	S	.	.			trans	-69	139.9	174.9	-72.1	163.8	0	0	0	110.9	I780 L792 G817 A819 I846	I780-L783 HydrophobicContact CB-CD1 4.26Å; I780-L783 HydrophobicContact CG2-CD1 3.76Å; I780-L783 HydrophobicContact CG2-CD2 4.12Å; I780-L783 HydrophobicContact CG2-CG 3.78Å; L783-L792 HydrophobicContact CD1-CD1 3.92Å; L783-L792 HydrophobicContact CD1-CD2 3.92Å; L783-L792 HydrophobicContact CD2-CD1 3.77Å; L783-G817 PolarHBondContact N-O 3.44Å; L783-G817 WeakPolarHBondContact O-CA 3.33Å; L783-A819 HydrophobicContact CD1-CB 3.69Å; L783-I846 HydrophobicContact CD2-CG2 3.77Å; L783-I846 HydrophobicContact CG-CG2 4.24Å
784	P	73.1	Confident	76.2	Confident	11 Å²	11	54.8 Å²	54.8	7%	0.071	28%	0.281	C	S	.	.			trans	-66.1	151.1	176	30.5	-36.2	0	0	0	110.9	S786 C787 V841 E842	P784-S786 PolarHBondContact O-N 3.32Å; P784-S786 VanDerWaalsContact O-N 3.13Å; P784-C787 HydrophobicContact CG-CB 4.15Å; P784-C787 WeakPolarHBondContact O-CB 3.15Å; P784-C787 PolarHBondContact O-N 2.69Å; P784-V841 HydrophobicContact CG-CG1 4.38Å; P784-E842 HydrophobicContact CB-CB 4.34Å; P784-E842 HydrophobicContact CG-CB 4.05Å; P784-E842 HydrophobicContact CG-CG 4.23Å; P784-E842 WeakPolarHBondContact CG-OE2 3.23Å
785	F	74.4	Confident	76.7	Confident	152 Å²	152	54.1 Å²	54.1	67%	0.667	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.3	-175	-59.2	-70.8	0	0	0	114.4	P815	F785-P815 WeakPolarHBondContact O-CG 3.38Å
786	S	70.4	Confident	77.2	Confident	74 Å²	74	49.8 Å²	49.8	52%	0.517	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-30.2	169.4	24.4	0	0	0	0	113.5	P784 T788 E842	P784-S786 PolarHBondContact O-N 3.32Å; P784-S786 VanDerWaalsContact O-N 3.13Å; S786-T788 PolarHBondContact O-N 2.89Å; S786-E842 WeakPolarHBondContact CB-OE2 3.45Å; S786-E842 PolarHBondContact OG-OE2 3.09Å
787	C	69.7	Low	77.3	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.054	27%	0.272	C	S	.	.			trans	-65.5	128.1	-160.1	-171.9	0	0	0	0	114.2	P784 E791	P784-C787 HydrophobicContact CG-CB 4.15Å; P784-C787 WeakPolarHBondContact O-CB 3.15Å; P784-C787 PolarHBondContact O-N 2.69Å; C787-E791 VanDerWaalsContact CA-OE2 3.26Å; C787-E791 WeakPolarHBondContact CA-OE2 3.46Å
788	T	75.1	Confident	77.2	Confident	51 Å²	51	56 Å²	56	31%	0.313	30%	0.297	S	S	.	.			trans	-88.9	168.5	-179.1	67.5	0	0	0	0	113.2	S786 E790 E791 L792	S786-T788 PolarHBondContact O-N 2.89Å; T788-E790 WeakPolarHBondContact CB-OE2 3.46Å; T788-E790 PolarHBondContact O-N 2.85Å; T788-E791 WeakPolarHBondContact CB-OE1 3.36Å; T788-E791 WeakPolarHBondContact CG2-OE1 3.39Å; T788-E791 PolarHBondContact N-OE2 2.82Å; T788-E791 WeakPolarHBondContact OG1-CG 3.38Å; T788-E791 PolarHBondContact OG1-N 2.68Å; T788-E791 PolarHBondContact OG1-OE1 3.01Å; T788-E791 PolarHBondContact OG1-OE2 3.3Å; T788-L792 PolarHBondContact O-N 2.96Å
789	K	75.8	Confident	76.7	Confident	90 Å²	90	57.7 Å²	57.7	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-29.9	176.4	173.6	166.1	171.9	147.8	0	110.5	A793 D804 V805 L807	K789-A793 WeakPolarHBondContact O-CB 3.24Å; K789-A793 PolarHBondContact O-N 3.42Å; K789-A793 VanDerWaalsContact O-N 3.11Å; K789-D804 IonicContact NZ-OD1 3.99Å; K789-D804 PolarHBondContact NZ-OD1 3.25Å; K789-V805 HydrophobicContact CD-CB 4.43Å; K789-V805 WeakPolarHBondContact CD-O 3.47Å; K789-V805 WeakPolarHBondContact CE-O 3.5Å; K789-V805 HydrophobicContact CG-CB 4.04Å; K789-V805 HydrophobicContact CG-CG1 4.01Å; K789-V805 PolarHBondContact NZ-O 3.39Å; K789-L807 HydrophobicContact CB-CD1 4.13Å
790	E	77	Confident	76.4	Confident	124 Å²	124	56 Å²	56	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-73.6	-52	-175.3	-65.7	59.6	-137	0	0	110.6	T788 L792 A793 E794	T788-E790 WeakPolarHBondContact CB-OE2 3.46Å; T788-E790 PolarHBondContact O-N 2.85Å; E790-L792 VanDerWaalsContact C-N 3.35Å; E790-L792 PolarHBondContact O-N 2.95Å; E790-A793 WeakPolarHBondContact O-CB 3.4Å; E790-A793 PolarHBondContact O-N 3.21Å; E790-E794 WeakPolarHBondContact O-CG 3.49Å; E790-E794 PolarHBondContact O-N 3.21Å
791	E	75.9	Confident	76.2	Confident	79 Å²	79	59.6 Å²	59.6	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-56.6	-46.5	173.7	-71.9	140.8	-136.6	0	0	112.1	C787 T788 A793 E794 I795	C787-E791 VanDerWaalsContact CA-OE2 3.26Å; C787-E791 WeakPolarHBondContact CA-OE2 3.46Å; T788-E791 WeakPolarHBondContact CB-OE1 3.36Å; T788-E791 WeakPolarHBondContact CG2-OE1 3.39Å; T788-E791 PolarHBondContact N-OE2 2.82Å; T788-E791 WeakPolarHBondContact OG1-CG 3.38Å; T788-E791 PolarHBondContact OG1-N 2.68Å; T788-E791 PolarHBondContact OG1-OE1 3.01Å; T788-E791 PolarHBondContact OG1-OE2 3.3Å; E791-A793 VanDerWaalsContact C-N 3.26Å; E791-A793 PolarHBondContact O-N 3.49Å; E791-E794 PolarHBondContact O-N 3.08Å; E791-I795 WeakPolarHBondContact O-CG1 3.46Å; E791-I795 PolarHBondContact O-N 3.34Å
792	L	76.7	Confident	76.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-33	-179.3	-168.2	65.6	0	0	0	111.9	I780 L783 T788 E790 C796 V805 A819 V821	I780-L792 HydrophobicContact CD1-CD1 3.82Å; I780-L792 HydrophobicContact CD1-CD2 4.41Å; I780-L792 HydrophobicContact CD1-CG 4.35Å; L783-L792 HydrophobicContact CD1-CD1 3.92Å; L783-L792 HydrophobicContact CD1-CD2 3.92Å; L783-L792 HydrophobicContact CD2-CD1 3.77Å; T788-L792 PolarHBondContact O-N 2.96Å; E790-L792 VanDerWaalsContact C-N 3.35Å; E790-L792 PolarHBondContact O-N 2.95Å; L792-C796 WeakPolarHBondContact O-CB 3.47Å; L792-C796 PolarHBondContact O-N 2.98Å; L792-C796 VanDerWaalsContact O-N 3.15Å; L792-C796 PolarHBondContact O-SG 3.45Å; L792-V805 HydrophobicContact CB-CG1 4.39Å; L792-V805 HydrophobicContact CD2-CG1 3.87Å; L792-V805 HydrophobicContact CG-CG1 4.35Å; L792-A819 HydrophobicContact CD2-CB 3.31Å; L792-V821 HydrophobicContact CD2-CG2 4.24Å; L792-V821 HydrophobicContact CG-CG2 4.45Å
793	A	78.8	Confident	76.1	Confident	29 Å²	29	66.8 Å²	66.8	24%	0.24	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-41.9	171.1	0	0	0	0	0	111.4	K789 E790 E791 C796 K797 I802 V805	K789-A793 WeakPolarHBondContact O-CB 3.24Å; K789-A793 PolarHBondContact O-N 3.42Å; K789-A793 VanDerWaalsContact O-N 3.11Å; E790-A793 WeakPolarHBondContact O-CB 3.4Å; E790-A793 PolarHBondContact O-N 3.21Å; E791-A793 VanDerWaalsContact C-N 3.26Å; E791-A793 PolarHBondContact O-N 3.49Å; A793-C796 PolarHBondContact O-N 3.17Å; A793-K797 VanDerWaalsContact O-CB 3.23Å; A793-K797 WeakPolarHBondContact O-CB 3.5Å; A793-K797 PolarHBondContact O-N 2.83Å; A793-I802 HydrophobicContact CB-CD1 4.32Å; A793-I802 WeakPolarHBondContact O-CD1 3.45Å; A793-V805 HydrophobicContact CB-CG2 4.21Å
794	E	79.2	Confident	75.8	Confident	135 Å²	135	70.2 Å²	70.2	63%	0.631	36%	0.361	S	S	*	.	H	α-helix	trans	-64.4	-40.6	176.3	-63.2	-143.4	127.7	0	0	112.9	E790 E791 C796 K797 P798	E790-E794 WeakPolarHBondContact O-CG 3.49Å; E790-E794 PolarHBondContact O-N 3.21Å; E791-E794 PolarHBondContact O-N 3.08Å; E794-C796 VanDerWaalsContact C-N 3.33Å; E794-C796 PolarHBondContact O-N 2.99Å; E794-K797 PolarHBondContact O-N 3.45Å; E794-P798 VanDerWaalsContact O-CD 3.26Å; E794-P798 WeakPolarHBondContact O-CD 3.49Å
795	I	78.8	Confident	76	Confident	51 Å²	51	70 Å²	70	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-38.1	175.1	-67.2	164.9	0	0	0	111.5	E791 P798 L836 V841	E791-I795 WeakPolarHBondContact O-CG1 3.46Å; E791-I795 PolarHBondContact O-N 3.34Å; I795-P798 WeakPolarHBondContact O-CD 3.42Å; I795-L836 HydrophobicContact CG2-CD2 4.14Å; I795-V841 HydrophobicContact CD1-CG1 4.37Å
796	C	77.5	Confident	76.2	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-83.5	-23.6	-178	-67.2	0	0	0	0	114.1	L792 A793 E794 P798 H799 I802 V821 F823	L792-C796 WeakPolarHBondContact O-CB 3.47Å; L792-C796 PolarHBondContact O-N 2.98Å; L792-C796 VanDerWaalsContact O-N 3.15Å; L792-C796 PolarHBondContact O-SG 3.45Å; A793-C796 PolarHBondContact O-N 3.17Å; E794-C796 VanDerWaalsContact C-N 3.33Å; E794-C796 PolarHBondContact O-N 2.99Å; C796-P798 VanDerWaalsContact C-CD 3.48Å; C796-H799 PolarHBondContact O-N 3.43Å; C796-I802 HydrophobicContact CB-CD1 3.56Å; C796-I802 HydrophobicContact CB-CG1 4.28Å; C796-V821 HydrophobicContact CB-CG1 4.3Å; C796-F823 HydrophobicContact CB-CE1 4.49Å; C796-F823 HydrophobicContact CB-CZ 4.02Å
797	K	78.4	Confident	76.5	Confident	141 Å²	141	68.9 Å²	68.9	61%	0.613	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.2	-174.3	-176.1	178.8	-176.5	-178.1	0	115.7	A793 E794 H799	A793-K797 VanDerWaalsContact O-CB 3.23Å; A793-K797 WeakPolarHBondContact O-CB 3.5Å; A793-K797 PolarHBondContact O-N 2.83Å; E794-K797 PolarHBondContact O-N 3.45Å; K797-H799 PolarHBondContact O-N 3.38Å
798	P	78.8	Confident	76.8	Confident	106 Å²	106	70.2 Å²	70.2	69%	0.688	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.1	172.8	-21.8	33.7	0	0	0	114.5	E794 I795 C796	E794-P798 VanDerWaalsContact O-CD 3.26Å; E794-P798 WeakPolarHBondContact O-CD 3.49Å; I795-P798 WeakPolarHBondContact O-CD 3.42Å; C796-P798 VanDerWaalsContact C-CD 3.48Å
799	H	72.6	Confident	76.2	Confident	36 Å²	36	71.6 Å²	71.6	17%	0.167	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-12.8	-171.7	-60.4	-96	0	0	0	113.5	C796 K797 A832	C796-H799 PolarHBondContact O-N 3.43Å; K797-H799 PolarHBondContact O-N 3.38Å; H799-A832 HydrophobicContact CB-CB 3.97Å
800	G	76.4	Confident	75.3	Confident	16 Å²	16	72 Å²	72	17%	0.165	36%	0.36	C	S	.	.			trans	172.7	174.4	176	0	0	0	0	0	114.6	Q828	G800-Q828 VanDerWaalsContact CA-OE1 3.24Å
801	S	76.8	Confident	73.7	Confident	78 Å²	78	78.4 Å²	78.4	55%	0.545	38%	0.379	S	S	.	.			trans	-83.2	113.5	172.1	-64.4	0	0	0	0	109.8	F823 A824	S801-F823 CarbonylContact O-C 3.59Å; S801-F823 WeakPolarHBondContact O-CA 3.43Å; S801-A824 WeakPolarHBondContact O-CB 3.48Å; S801-A824 PolarHBondContact O-N 3.27Å
802	I	80.5	Confident	72.2	Confident	54 Å²	54	79.2 Å²	79.2	28%	0.277	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.9	-177.4	-53.9	168.4	0	0	0	110.1	A793 C796 V805 V821 F823	A793-I802 HydrophobicContact CB-CD1 4.32Å; A793-I802 WeakPolarHBondContact O-CD1 3.45Å; C796-I802 HydrophobicContact CB-CD1 3.56Å; C796-I802 HydrophobicContact CB-CG1 4.28Å; I802-V805 HydrophobicContact CG2-CG2 3.65Å; I802-V821 HydrophobicContact CD1-CG1 4.48Å; I802-V821 HydrophobicContact CG1-CG1 4.23Å; I802-V821 HydrophobicContact CG2-CG1 3.83Å; I802-F823 HydrophobicContact CG1-CD1 4.26Å; I802-F823 HydrophobicContact CG1-CE1 3.9Å
803	R	73.3	Confident	71.1	Confident	161 Å²	161	81.6 Å²	81.6	61%	0.608	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	-44.1	172.7	-70.4	-175.9	174	171.8	7.2	112.9	E822 A824	R803-E822 HydrophobicContact CB-CB 4.36Å; R803-E822 HydrophobicContact CB-CG 4.41Å; R803-E822 PolarHBondContact N-O 3.22Å; R803-E822 IonicContact NH1-OE1 3.3Å; R803-A824 PolarHBondContact NH2-O 3.3Å
804	D	72.2	Confident	70.3	Confident	78 Å²	78	87.5 Å²	87.5	42%	0.417	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.7	173.6	-176.5	34.7	0	0	0	111.3	K789 E822	K789-D804 IonicContact NZ-OD1 3.99Å; K789-D804 PolarHBondContact NZ-OD1 3.25Å; D804-E822 PolarHBondContact O-N 3.49Å
805	V	78.3	Confident	69.9	Low	7 Å²	7	83 Å²	83	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.1	173.2	179.7	0	0	0	0	108.2	K789 L792 A793 I802 V821	K789-V805 HydrophobicContact CD-CB 4.43Å; K789-V805 WeakPolarHBondContact CD-O 3.47Å; K789-V805 WeakPolarHBondContact CE-O 3.5Å; K789-V805 HydrophobicContact CG-CB 4.04Å; K789-V805 HydrophobicContact CG-CG1 4.01Å; K789-V805 PolarHBondContact NZ-O 3.39Å; L792-V805 HydrophobicContact CB-CG1 4.39Å; L792-V805 HydrophobicContact CD2-CG1 3.87Å; L792-V805 HydrophobicContact CG-CG1 4.35Å; A793-V805 HydrophobicContact CB-CG2 4.21Å; I802-V805 HydrophobicContact CG2-CG2 3.65Å; V805-V821 HydrophobicContact CG1-CG2 4.23Å; V805-V821 HydrophobicContact CG2-CG1 4.35Å; V805-V821 HydrophobicContact CG2-CG2 4.31Å
806	R	78.5	Confident	69.6	Low	163 Å²	163	85.3 Å²	85.3	62%	0.615	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	100.7	-178.1	-179.8	-178.1	167.6	-167.5	-5	110.8	A819 Y820	R806-A819 CarbonylContact O-C 3.58Å; R806-A819 WeakPolarHBondContact O-CA 3.13Å; R806-Y820 PolarHBondContact N-O 3.27Å; R806-Y820 PolarHBondContact O-N 3.02Å
807	L	77.4	Confident	69.3	Low	40 Å²	40	85.6 Å²	85.6	21%	0.209	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.8	164.6	-82.7	154	0	0	0	110.7	K789 A819	K789-L807 HydrophobicContact CB-CD1 4.13Å; L807-A819 HydrophobicContact CD2-CB 4.07Å; L807-A819 HydrophobicContact CG-CB 4.38Å
808	V	74.5	Confident	69.5	Low	35 Å²	35	81.1 Å²	81.1	21%	0.212	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.1	175.9	-176.8	0	0	0	0	108.9	K816 L818 Y820	V808-K816 HydrophobicContact CG1-CB 4.5Å; V808-K816 VanDerWaalsContact O-CB 3.25Å; V808-K816 WeakPolarHBondContact O-CB 3.36Å; V808-K816 PolarHBondContact O-N 2.84Å; V808-L818 HydrophobicContact CB-CB 4.08Å; V808-L818 WeakPolarHBondContact CB-O 3.36Å; V808-L818 HydrophobicContact CG2-CB 4.07Å; V808-L818 PolarHBondContact N-O 3.32Å; V808-Y820 HydrophobicContact CG2-CD2 3.93Å; V808-Y820 HydrophobicContact CG2-CE2 3.74Å
809	T	64	Low	69.7	Low	81 Å²	81	76 Å²	76	50%	0.497	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.5	175.7	56.6	0	0	0	0	112	G813 K814	T809-G813 WeakPolarHBondContact CB-O 3.44Å; T809-G813 VanDerWaalsContact CG2-O 3.27Å; T809-G813 WeakPolarHBondContact CG2-O 3.47Å; T809-K814 CarbonylContact C-O 3.39Å; T809-K814 VanDerWaalsContact CA-O 3.27Å; T809-K814 WeakPolarHBondContact CA-O 3.22Å; T809-K814 WeakPolarHBondContact CB-O 3.26Å
810	F	55.3	Low	70.1	Confident	98 Å²	98	77.7 Å²	77.7	43%	0.43	39%	0.387	S	S	.	.			trans	-69.9	168.2	166.4	-74.3	-87.2	0	0	0	111.1	S812 G813 K814 K816	F810-S812 PolarHBondContact O-N 3.03Å; F810-G813 PolarHBondContact O-N 2.81Å; F810-K814 PolarHBondContact N-O 3.14Å; F810-K816 HydrophobicContact CD1-CD 4.27Å; F810-K816 HydrophobicContact CD2-CB 4Å; F810-K816 HydrophobicContact CD2-CD 4.37Å; F810-K816 HydrophobicContact CD2-CG 4.24Å; F810-K816 HydrophobicContact CE1-CD 3.81Å; F810-K816 HydrophobicContact CE1-CG 4.35Å; F810-K816 HydrophobicContact CE2-CB 3.73Å; F810-K816 HydrophobicContact CE2-CD 3.92Å; F810-K816 HydrophobicContact CE2-CG 3.59Å; F810-K816 HydrophobicContact CZ-CB 4.31Å; F810-K816 HydrophobicContact CZ-CD 3.63Å; F810-K816 HydrophobicContact CZ-CG 3.66Å
811	R	44.7	Very low	70.4	Confident	259 Å²	259	76.9 Å²	76.9	98%	0.977	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.2	172.3	-79.9	-179.1	171.7	159.4	-3.4	113.8
812	S	44.6	Very low	70.7	Confident	95 Å²	95	75.8 Å²	75.8	66%	0.664	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	9.2	176.5	51.4	0	0	0	0	114.4	F810 K814	F810-S812 PolarHBondContact O-N 3.03Å; S812-K814 VanDerWaalsContact C-N 3.25Å; S812-K814 PolarHBondContact O-N 3.3Å
813	G	52.1	Low	70.8	Confident	51 Å²	51	73.2 Å²	73.2	53%	0.526	35%	0.352	S	S	.	.	S	Bend	trans	82.1	-21.2	177.1	0	0	0	0	0	115.8	T809 F810	T809-G813 WeakPolarHBondContact CB-O 3.44Å; T809-G813 VanDerWaalsContact CG2-O 3.27Å; T809-G813 WeakPolarHBondContact CG2-O 3.47Å; F810-G813 PolarHBondContact O-N 2.81Å
814	K	63.6	Low	71	Confident	152 Å²	152	67.5 Å²	67.5	66%	0.661	34%	0.339	S	S	*	.			trans	-61.5	141.2	176.5	-63	-166.9	177.1	-170.1	0	111.7	T809 F810 S812	T809-K814 CarbonylContact C-O 3.39Å; T809-K814 VanDerWaalsContact CA-O 3.27Å; T809-K814 WeakPolarHBondContact CA-O 3.22Å; T809-K814 WeakPolarHBondContact CB-O 3.26Å; F810-K814 PolarHBondContact N-O 3.14Å; S812-K814 VanDerWaalsContact C-N 3.25Å; S812-K814 PolarHBondContact O-N 3.3Å
815	P	69.3	Low	71.2	Confident	40 Å²	40	66.7 Å²	66.7	26%	0.26	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	156.2	175.6	28.6	-34.6	0	0	0	111.7	F785	F785-P815 WeakPolarHBondContact O-CG 3.38Å
816	K	72	Confident	71.2	Confident	100 Å²	100	69.6 Å²	69.6	44%	0.435	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	10	-177.2	-168	161.3	-178.3	-178.1	0	113.9	V808 F810 L818	V808-K816 HydrophobicContact CG1-CB 4.5Å; V808-K816 VanDerWaalsContact O-CB 3.25Å; V808-K816 WeakPolarHBondContact O-CB 3.36Å; V808-K816 PolarHBondContact O-N 2.84Å; F810-K816 HydrophobicContact CD1-CD 4.27Å; F810-K816 HydrophobicContact CD2-CB 4Å; F810-K816 HydrophobicContact CD2-CD 4.37Å; F810-K816 HydrophobicContact CD2-CG 4.24Å; F810-K816 HydrophobicContact CE1-CD 3.81Å; F810-K816 HydrophobicContact CE1-CG 4.35Å; F810-K816 HydrophobicContact CE2-CB 3.73Å; F810-K816 HydrophobicContact CE2-CD 3.92Å; F810-K816 HydrophobicContact CE2-CG 3.59Å; F810-K816 HydrophobicContact CZ-CB 4.31Å; F810-K816 HydrophobicContact CZ-CD 3.63Å; F810-K816 HydrophobicContact CZ-CG 3.66Å; K816-L818 HydrophobicContact CG-CD1 4.44Å; K816-L818 PolarHBondContact O-N 3.04Å
817	G	72.5	Confident	71.1	Confident	6 Å²	6	65.6 Å²	65.6	6%	0.062	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.8	19.5	-175.1	0	0	0	0	0	114.2	G782 L783	G782-G817 PolarHBondContact N-O 2.71Å; G782-G817 VanDerWaalsContact N-O 3.13Å; L783-G817 PolarHBondContact N-O 3.44Å; L783-G817 WeakPolarHBondContact O-CA 3.33Å
818	L	82.8	Confident	71.3	Confident	47 Å²	47	66 Å²	66	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.7	179.9	-56.4	179.9	0	0	0	109.8	F779 I780 S781 V808 K816	F779-L818 HydrophobicContact CE2-CB 4.2Å; F779-L818 HydrophobicContact CE2-CD1 4.39Å; F779-L818 HydrophobicContact CE2-CD2 4.2Å; F779-L818 HydrophobicContact CZ-CD1 4.36Å; F779-L818 HydrophobicContact CZ-CD2 3.8Å; F779-L818 HydrophobicContact CZ-CG 4.5Å; I780-L818 CarbonylContact O-C 3.58Å; I780-L818 WeakPolarHBondContact O-CA 3.17Å; S781-L818 VanDerWaalsContact CB-CD2 3.44Å; V808-L818 HydrophobicContact CB-CB 4.08Å; V808-L818 WeakPolarHBondContact CB-O 3.36Å; V808-L818 HydrophobicContact CG2-CB 4.07Å; V808-L818 PolarHBondContact N-O 3.32Å; K816-L818 HydrophobicContact CG-CD1 4.44Å; K816-L818 PolarHBondContact O-N 3.04Å
819	A	81.6	Confident	71.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.6	176.7	0	0	0	0	0	112.5	I780 L783 L792 R806 L807	I780-A819 PolarHBondContact N-O 3.27Å; I780-A819 PolarHBondContact O-N 2.86Å; L783-A819 HydrophobicContact CD1-CB 3.69Å; L792-A819 HydrophobicContact CD2-CB 3.31Å; R806-A819 CarbonylContact O-C 3.58Å; R806-A819 WeakPolarHBondContact O-CA 3.13Å; L807-A819 HydrophobicContact CD2-CB 4.07Å; L807-A819 HydrophobicContact CG-CB 4.38Å
820	Y	82.6	Confident	72	Confident	70 Å²	70	62.4 Å²	62.4	28%	0.275	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.7	170.3	-65.9	-92.4	0	0	0	109.4	K777 I778 F779 R806 V808	K777-Y820 HydrophobicContact CD-CD1 4.14Å; K777-Y820 HydrophobicContact CG-CD1 4.38Å; I778-Y820 WeakPolarHBondContact O-CA 3.39Å; F779-Y820 HydrophobicContact CB-CD1 4.2Å; F779-Y820 HydrophobicContact CB-CE1 4.04Å; F779-Y820 HydrophobicContact CD2-CD1 4.11Å; F779-Y820 AromaticContact CD2-CE1 3.59Å; F779-Y820 HydrophobicContact CD2-CE1 3.59Å; F779-Y820 HydrophobicContact CD2-CE2 4.06Å; F779-Y820 AromaticContact CD2-CZ 3.56Å; F779-Y820 HydrophobicContact CE2-CE1 4.48Å; F779-Y820 HydrophobicContact CE2-CE2 4.35Å; F779-Y820 HydrophobicContact CG-CE1 4.2Å; R806-Y820 PolarHBondContact N-O 3.27Å; R806-Y820 PolarHBondContact O-N 3.02Å; V808-Y820 HydrophobicContact CG2-CD2 3.93Å; V808-Y820 HydrophobicContact CG2-CE2 3.74Å
821	V	82.8	Confident	73	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.1	177.7	178.9	0	0	0	0	108.5	K777 I778 I780 L792 C796 I802 V805 F823	K777-V821 CarbonylContact C-O 3.59Å; K777-V821 WeakPolarHBondContact CA-O 3.24Å; I778-V821 HydrophobicContact CD1-CB 4.17Å; I778-V821 HydrophobicContact CG1-CB 3.77Å; I778-V821 PolarHBondContact N-O 3.45Å; I778-V821 PolarHBondContact O-N 2.97Å; I780-V821 HydrophobicContact CD1-CG2 3.89Å; L792-V821 HydrophobicContact CD2-CG2 4.24Å; L792-V821 HydrophobicContact CG-CG2 4.45Å; C796-V821 HydrophobicContact CB-CG1 4.3Å; I802-V821 HydrophobicContact CD1-CG1 4.48Å; I802-V821 HydrophobicContact CG1-CG1 4.23Å; I802-V821 HydrophobicContact CG2-CG1 3.83Å; V805-V821 HydrophobicContact CG1-CG2 4.23Å; V805-V821 HydrophobicContact CG2-CG1 4.35Å; V805-V821 HydrophobicContact CG2-CG2 4.31Å; V821-F823 HydrophobicContact CG1-CD2 4.39Å; V821-F823 HydrophobicContact CG1-CE2 3.96Å; V821-F823 HydrophobicContact CG1-CZ 4.1Å
822	E	82.1	Confident	74.6	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.6	176	-166.3	172.1	125.9	0	0	110	K777 R803 D804	K777-E822 WeakPolarHBondContact CE-OE2 3.25Å; K777-E822 IonicContact NZ-OE2 3.96Å; K777-E822 PolarHBondContact NZ-OE2 2.96Å; R803-E822 HydrophobicContact CB-CB 4.36Å; R803-E822 HydrophobicContact CB-CG 4.41Å; R803-E822 PolarHBondContact N-O 3.22Å; R803-E822 IonicContact NH1-OE1 3.3Å; D804-E822 PolarHBondContact O-N 3.49Å
823	F	81.9	Confident	76.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	163.1	174.4	-72.9	-80.8	0	0	0	111.7	H776 I778 C796 S801 I802 V821 D825 Q828 A829 A832	H776-F823 PolarHBondContact O-N 2.82Å; I778-F823 HydrophobicContact CD1-CE2 3.72Å; I778-F823 HydrophobicContact CD1-CZ 4.43Å; I778-F823 HydrophobicContact CG1-CD2 4.5Å; I778-F823 HydrophobicContact CG1-CE2 3.92Å; I778-F823 HydrophobicContact CG2-CE2 4.39Å; C796-F823 HydrophobicContact CB-CE1 4.49Å; C796-F823 HydrophobicContact CB-CZ 4.02Å; S801-F823 CarbonylContact O-C 3.59Å; S801-F823 WeakPolarHBondContact O-CA 3.43Å; I802-F823 HydrophobicContact CG1-CD1 4.26Å; I802-F823 HydrophobicContact CG1-CE1 3.9Å; V821-F823 HydrophobicContact CG1-CD2 4.39Å; V821-F823 HydrophobicContact CG1-CE2 3.96Å; V821-F823 HydrophobicContact CG1-CZ 4.1Å; F823-D825 VanDerWaalsContact C-N 3.26Å; F823-D825 PolarHBondContact O-N 2.93Å; F823-Q828 HydrophobicContact CB-CB 4.25Å; F823-Q828 HydrophobicContact CD1-CB 4.31Å; F823-Q828 HydrophobicContact CG-CB 4.35Å; F823-A829 HydrophobicContact CB-CB 4.48Å; F823-A829 HydrophobicContact CD2-CB 4.03Å; F823-A832 HydrophobicContact CE2-CB 3.76Å; F823-A832 HydrophobicContact CZ-CB 3.85Å
824	A	77.8	Confident	77.5	Confident	40 Å²	40	52 Å²	52	33%	0.331	27%	0.268	S	S	.	.	S	Bend	trans	-70.7	-18.9	176.5	0	0	0	0	0	114	S801 R803	S801-A824 WeakPolarHBondContact O-CB 3.48Å; S801-A824 PolarHBondContact O-N 3.27Å; R803-A824 PolarHBondContact NH2-O 3.3Å
825	D	77.1	Confident	78.1	Confident	61 Å²	61	51.1 Å²	51.1	33%	0.326	26%	0.264	S	S	.	.	S	Bend	trans	-146.9	151.6	-174.8	-176.6	28.7	0	0	0	113.2	F823 T827 Q828 A829	F823-D825 VanDerWaalsContact C-N 3.26Å; F823-D825 PolarHBondContact O-N 2.93Å; D825-T827 VanDerWaalsContact C-N 3.34Å; D825-T827 WeakPolarHBondContact OD2-CB 3.32Å; D825-T827 WeakPolarHBondContact OD2-CG2 3.33Å; D825-T827 PolarHBondContact OD2-OG1 3.17Å; D825-Q828 HydrophobicContact CB-CG 4.26Å; D825-Q828 PolarHBondContact O-N 3.42Å; D825-A829 PolarHBondContact O-N 2.92Å
826	E	78.3	Confident	78.4	Confident	69 Å²	69	49.4 Å²	49.4	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-35.5	177.9	179	173.1	158.2	0	0	111.8	K775 H776 Q828 S830	K775-E826 HydrophobicContact CB-CG 4.05Å; K775-E826 HydrophobicContact CD-CG 4.13Å; K775-E826 WeakPolarHBondContact CD-OE1 3.18Å; K775-E826 WeakPolarHBondContact CD-OE2 3.35Å; K775-E826 VanDerWaalsContact NZ-CD 3.26Å; K775-E826 IonicContact NZ-OE1 3.18Å; K775-E826 PolarHBondContact NZ-OE1 2.94Å; K775-E826 IonicContact NZ-OE2 2.56Å; K775-E826 PolarHBondContact NZ-OE2 3.26Å; K775-E826 VanDerWaalsContact NZ-OE2 3.08Å; H776-E826 PolarHBondContact ND1-N 3.41Å; E826-Q828 VanDerWaalsContact C-N 3.34Å; E826-Q828 PolarHBondContact O-N 3.37Å; E826-S830 WeakPolarHBondContact O-CB 3.26Å; E826-S830 PolarHBondContact O-N 3.27Å; E826-S830 VanDerWaalsContact O-N 3.11Å; E826-S830 PolarHBondContact O-OG 2.77Å
827	T	77.3	Confident	78.8	Confident	78 Å²	78	48.8 Å²	48.8	48%	0.479	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-37.5	179.6	75	0	0	0	0	111.7	D825 S830 Q831	D825-T827 VanDerWaalsContact C-N 3.34Å; D825-T827 WeakPolarHBondContact OD2-CB 3.32Å; D825-T827 WeakPolarHBondContact OD2-CG2 3.33Å; D825-T827 PolarHBondContact OD2-OG1 3.17Å; T827-S830 PolarHBondContact O-N 3.07Å; T827-Q831 WeakPolarHBondContact O-CG 3.47Å; T827-Q831 PolarHBondContact O-N 3.42Å
828	Q	79.7	Confident	78.8	Confident	50 Å²	50	50.7 Å²	50.7	23%	0.234	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-45.9	178.9	-67	178.1	5.4	0	0	111.6	G800 F823 D825 E826 S830 Q831 A832	G800-Q828 VanDerWaalsContact CA-OE1 3.24Å; F823-Q828 HydrophobicContact CB-CB 4.25Å; F823-Q828 HydrophobicContact CD1-CB 4.31Å; F823-Q828 HydrophobicContact CG-CB 4.35Å; D825-Q828 HydrophobicContact CB-CG 4.26Å; D825-Q828 PolarHBondContact O-N 3.42Å; E826-Q828 VanDerWaalsContact C-N 3.34Å; E826-Q828 PolarHBondContact O-N 3.37Å; Q828-S830 VanDerWaalsContact C-N 3.26Å; Q828-S830 PolarHBondContact O-N 3.41Å; Q828-Q831 PolarHBondContact O-N 3.11Å; Q828-Q831 VanDerWaalsContact O-N 3.16Å; Q828-A832 WeakPolarHBondContact O-CB 3.42Å; Q828-A832 PolarHBondContact O-N 3Å
829	A	76.2	Confident	78.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-40.9	173.4	0	0	0	0	0	112.2	K775 I778 F823 D825 A832 V833	K775-A829 WeakPolarHBondContact O-CB 3.49Å; I778-A829 HydrophobicContact CG2-CB 4.01Å; I778-A829 WeakPolarHBondContact CG2-O 3.25Å; F823-A829 HydrophobicContact CB-CB 4.48Å; F823-A829 HydrophobicContact CD2-CB 4.03Å; D825-A829 PolarHBondContact O-N 2.92Å; A829-A832 PolarHBondContact O-N 2.89Å; A829-V833 WeakPolarHBondContact O-CG2 3.13Å; A829-V833 PolarHBondContact O-N 3.41Å; A829-V833 VanDerWaalsContact O-N 3.15Å
830	S	77.4	Confident	78.3	Confident	40 Å²	40	56.1 Å²	56.1	28%	0.28	30%	0.302	S	S	.	.	H	α-helix	trans	-68.1	-37.6	177.1	-54.1	0	0	0	0	112.8	E826 T827 Q828 L834	E826-S830 WeakPolarHBondContact O-CB 3.26Å; E826-S830 PolarHBondContact O-N 3.27Å; E826-S830 VanDerWaalsContact O-N 3.11Å; E826-S830 PolarHBondContact O-OG 2.77Å; T827-S830 PolarHBondContact O-N 3.07Å; Q828-S830 VanDerWaalsContact C-N 3.26Å; Q828-S830 PolarHBondContact O-N 3.41Å; S830-L834 PolarHBondContact O-N 3.09Å
831	Q	77.1	Confident	77.9	Confident	106 Å²	106	53.9 Å²	53.9	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-74.1	-25.3	175.2	-73.5	-174.4	22.6	0	0	113.7	T827 Q828	T827-Q831 WeakPolarHBondContact O-CG 3.47Å; T827-Q831 PolarHBondContact O-N 3.42Å; Q828-Q831 PolarHBondContact O-N 3.11Å; Q828-Q831 VanDerWaalsContact O-N 3.16Å
832	A	77.5	Confident	77.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-48.6	171.7	0	0	0	0	0	110.9	I778 H799 F823 Q828 A829 L834 K835 L836	I778-A832 HydrophobicContact CD1-CB 4.18Å; H799-A832 HydrophobicContact CB-CB 3.97Å; F823-A832 HydrophobicContact CE2-CB 3.76Å; F823-A832 HydrophobicContact CZ-CB 3.85Å; Q828-A832 WeakPolarHBondContact O-CB 3.42Å; Q828-A832 PolarHBondContact O-N 3Å; A829-A832 PolarHBondContact O-N 2.89Å; A832-L834 PolarHBondContact O-N 3.32Å; A832-K835 PolarHBondContact O-N 3.23Å; A832-L836 HydrophobicContact CB-CD1 4.21Å; A832-L836 VanDerWaalsContact O-CB 3.31Å; A832-L836 WeakPolarHBondContact O-CB 3.4Å; A832-L836 WeakPolarHBondContact O-CG 3.47Å; A832-L836 PolarHBondContact O-N 2.94Å
833	V	81.4	Confident	76.3	Confident	30 Å²	30	60.9 Å²	60.9	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-51.3	-55.3	173.6	166.4	0	0	0	0	111.5	I778 A829 K835 D837 V848 I850	I778-V833 HydrophobicContact CG2-CG2 3.76Å; A829-V833 WeakPolarHBondContact O-CG2 3.13Å; A829-V833 PolarHBondContact O-N 3.41Å; A829-V833 VanDerWaalsContact O-N 3.15Å; V833-K835 PolarHBondContact O-N 2.99Å; V833-D837 WeakPolarHBondContact O-CB 3.35Å; V833-D837 PolarHBondContact O-N 2.99Å; V833-V848 WeakPolarHBondContact CG1-O 3.5Å; V833-V848 HydrophobicContact CG2-CG1 4.19Å; V833-I850 HydrophobicContact CG2-CG1 3.86Å
834	L	76.8	Confident	75.8	Confident	149 Å²	149	64.7 Å²	64.7	78%	0.78	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-5.4	-176.2	-73.4	171.7	0	0	0	115.6	S830 A832	S830-L834 PolarHBondContact O-N 3.09Å; A832-L834 PolarHBondContact O-N 3.32Å
835	K	75.8	Confident	75.9	Confident	132 Å²	132	69.5 Å²	69.5	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-127.4	-22.3	-177.5	-69.9	-175.7	175.1	-179.9	0	114.8	A832 V833 I839	A832-K835 PolarHBondContact O-N 3.23Å; V833-K835 PolarHBondContact O-N 2.99Å; K835-I839 WeakPolarHBondContact O-CD1 3.5Å
836	L	75.8	Confident	76.2	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-103.2	-19.4	-177.6	-61	177.3	0	0	0	112.9	I795 A832 G838 I839 I846 V848	I795-L836 HydrophobicContact CG2-CD2 4.14Å; A832-L836 HydrophobicContact CB-CD1 4.21Å; A832-L836 VanDerWaalsContact O-CB 3.31Å; A832-L836 WeakPolarHBondContact O-CB 3.4Å; A832-L836 WeakPolarHBondContact O-CG 3.47Å; A832-L836 PolarHBondContact O-N 2.94Å; L836-G838 PolarHBondContact O-N 2.88Å; L836-I839 HydrophobicContact CD2-CD1 3.88Å; L836-I839 PolarHBondContact O-N 3.2Å; L836-I846 HydrophobicContact CB-CD1 4.49Å; L836-I846 WeakPolarHBondContact O-CG1 3.37Å; L836-V848 HydrophobicContact CB-CB 4.36Å; L836-V848 HydrophobicContact CB-CG2 3.78Å
837	D	80.1	Confident	76.3	Confident	88 Å²	88	66 Å²	66	47%	0.471	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	122.4	173.6	-167.3	55.7	0	0	0	110.5	V833 S847 V848	V833-D837 WeakPolarHBondContact O-CB 3.35Å; V833-D837 PolarHBondContact O-N 2.99Å; D837-S847 WeakPolarHBondContact OD1-CA 3.33Å; D837-S847 VanDerWaalsContact OD1-CB 3.29Å; D837-S847 WeakPolarHBondContact OD1-CB 3.4Å; D837-S847 PolarHBondContact OD1-OG 3.38Å; D837-V848 HydrophobicContact CB-CB 4.26Å; D837-V848 PolarHBondContact OD1-N 3.48Å
838	G	72.6	Confident	76.5	Confident	46 Å²	46	62.5 Å²	62.5	47%	0.474	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	3.7	-179.9	0	0	0	0	0	116.5	L836 I846	L836-G838 PolarHBondContact O-N 2.88Å; G838-I846 WeakPolarHBondContact CA-O 3.27Å; G838-I846 PolarHBondContact N-O 3.17Å
839	I	79.2	Confident	76.6	Confident	70 Å²	70	62.2 Å²	62.2	36%	0.359	35%	0.353	S	S	.	.			trans	-72.3	138	173.3	-66.6	-172.6	0	0	0	110.9	K835 L836 V841 K845 I846	K835-I839 WeakPolarHBondContact O-CD1 3.5Å; L836-I839 HydrophobicContact CD2-CD1 3.88Å; L836-I839 PolarHBondContact O-N 3.2Å; I839-V841 HydrophobicContact CG2-CG2 4.11Å; I839-K845 WeakPolarHBondContact O-CA 3.25Å; I839-I846 HydrophobicContact CB-CG1 4.24Å; I839-I846 WeakPolarHBondContact O-CG1 3.25Å; I839-I846 PolarHBondContact O-N 3.01Å
840	D	75.4	Confident	76.8	Confident	91 Å²	91	65.2 Å²	65.2	49%	0.487	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119	168	-77	-71.7	0	0	0	111.2	K845	D840-K845 VanDerWaalsContact CG-CE 3.45Å; D840-K845 WeakPolarHBondContact OD1-CE 3.25Å; D840-K845 WeakPolarHBondContact OD1-CG 3.34Å; D840-K845 WeakPolarHBondContact OD2-CE 3.38Å; D840-K845 IonicContact OD2-NZ 2.77Å
841	V	73.4	Confident	76.3	Confident	22 Å²	22	63.6 Å²	63.6	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.9	174.2	-178.2	0	0	0	0	108.5	P784 I795 I839 G843 N844 I846	P784-V841 HydrophobicContact CG-CG1 4.38Å; I795-V841 HydrophobicContact CD1-CG1 4.37Å; I839-V841 HydrophobicContact CG2-CG2 4.11Å; V841-G843 PolarHBondContact O-N 3.22Å; V841-N844 PolarHBondContact N-O 3.06Å; V841-N844 PolarHBondContact O-N 2.64Å; V841-I846 HydrophobicContact CB-CG2 4.15Å; V841-I846 HydrophobicContact CG2-CD1 4.14Å; V841-I846 HydrophobicContact CG2-CG1 4.26Å; V841-I846 HydrophobicContact CG2-CG2 3.95Å
842	E	65.3	Low	75.9	Confident	132 Å²	132	63.4 Å²	63.4	62%	0.617	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	41.7	-173.2	-50.6	-166.2	126.1	0	0	113.5	P784 S786 N844	P784-E842 HydrophobicContact CB-CB 4.34Å; P784-E842 HydrophobicContact CG-CB 4.05Å; P784-E842 HydrophobicContact CG-CG 4.23Å; P784-E842 WeakPolarHBondContact CG-OE2 3.23Å; S786-E842 WeakPolarHBondContact CB-OE2 3.45Å; S786-E842 PolarHBondContact OG-OE2 3.09Å; E842-N844 VanDerWaalsContact C-N 3.31Å; E842-N844 PolarHBondContact O-N 3.36Å; E842-N844 PolarHBondContact O-ND2 2.72Å
843	G	66.1	Low	74.7	Confident	70 Å²	70	65.3 Å²	65.3	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	8.2	-179.6	0	0	0	0	0	115.6	V841	V841-G843 PolarHBondContact O-N 3.22Å
844	N	72.3	Confident	73	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.4	174.6	-67	-92.4	0	0	0	110.5	G782 V841 E842 I846	G782-N844 WeakPolarHBondContact O-CB 3.12Å; V841-N844 PolarHBondContact N-O 3.06Å; V841-N844 PolarHBondContact O-N 2.64Å; E842-N844 VanDerWaalsContact C-N 3.31Å; E842-N844 PolarHBondContact O-N 3.36Å; E842-N844 PolarHBondContact O-ND2 2.72Å; N844-I846 PolarHBondContact O-N 3.03Å
845	K	79.8	Confident	71.5	Confident	142 Å²	142	72.5 Å²	72.5	62%	0.617	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.2	175.7	-68.9	-172.3	172.7	-178.3	0	110.5	I839 D840	I839-K845 WeakPolarHBondContact O-CA 3.25Å; D840-K845 VanDerWaalsContact CG-CE 3.45Å; D840-K845 WeakPolarHBondContact OD1-CE 3.25Å; D840-K845 WeakPolarHBondContact OD1-CG 3.34Å; D840-K845 WeakPolarHBondContact OD2-CE 3.38Å; D840-K845 IonicContact OD2-NZ 2.77Å
846	I	82.9	Confident	69.4	Low	4 Å²	4	76.9 Å²	76.9	2%	0.021	41%	0.414	C	S	.	.			trans	-77.8	142.2	172.7	64.7	165.3	0	0	0	109.9	I780 S781 L783 L836 G838 I839 V841 N844 V848	I780-I846 HydrophobicContact CG2-CB 4.33Å; I780-I846 HydrophobicContact CG2-CD1 4.47Å; S781-I846 CarbonylContact O-C 3.52Å; S781-I846 VanDerWaalsContact O-CA 3.3Å; S781-I846 WeakPolarHBondContact O-CA 3.15Å; L783-I846 HydrophobicContact CD2-CG2 3.77Å; L783-I846 HydrophobicContact CG-CG2 4.24Å; L836-I846 HydrophobicContact CB-CD1 4.49Å; L836-I846 WeakPolarHBondContact O-CG1 3.37Å; G838-I846 WeakPolarHBondContact CA-O 3.27Å; G838-I846 PolarHBondContact N-O 3.17Å; I839-I846 HydrophobicContact CB-CG1 4.24Å; I839-I846 WeakPolarHBondContact O-CG1 3.25Å; I839-I846 PolarHBondContact O-N 3.01Å; V841-I846 HydrophobicContact CB-CG2 4.15Å; V841-I846 HydrophobicContact CG2-CD1 4.14Å; V841-I846 HydrophobicContact CG2-CG1 4.26Å; V841-I846 HydrophobicContact CG2-CG2 3.95Å; N844-I846 PolarHBondContact O-N 3.03Å; I846-V848 HydrophobicContact CD1-CG2 4.06Å; I846-V848 HydrophobicContact CG1-CG2 4.42Å
847	S	79.3	Confident	67.3	Low	53 Å²	53	83.4 Å²	83.4	37%	0.371	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.5	167.7	179.5	0	0	0	0	110.5	I780 S781 D837	I780-S847 WeakPolarHBondContact CA-O 3.35Å; S781-S847 PolarHBondContact N-O 2.95Å; S781-S847 PolarHBondContact O-N 3.05Å; S781-S847 PolarHBondContact OG-O 2.99Å; D837-S847 WeakPolarHBondContact OD1-CA 3.33Å; D837-S847 VanDerWaalsContact OD1-CB 3.29Å; D837-S847 WeakPolarHBondContact OD1-CB 3.4Å; D837-S847 PolarHBondContact OD1-OG 3.38Å
848	V	81.9	Confident	64.9	Low	3 Å²	3	86 Å²	86	2%	0.018	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	113	-167.1	-174.9	0	0	0	0	110.1	I778 F779 I780 V833 L836 D837 I846	I778-V848 HydrophobicContact CB-CG1 4.16Å; I778-V848 HydrophobicContact CD1-CG1 3.67Å; I778-V848 HydrophobicContact CG1-CG1 4.44Å; F779-V848 WeakPolarHBondContact O-CA 3.28Å; I780-V848 HydrophobicContact CG1-CG1 4.19Å; I780-V848 HydrophobicContact CG1-CG2 4.14Å; I780-V848 HydrophobicContact CG2-CG2 4.2Å; V833-V848 WeakPolarHBondContact CG1-O 3.5Å; V833-V848 HydrophobicContact CG2-CG1 4.19Å; L836-V848 HydrophobicContact CB-CB 4.36Å; L836-V848 HydrophobicContact CB-CG2 3.78Å; D837-V848 HydrophobicContact CB-CB 4.26Å; D837-V848 PolarHBondContact OD1-N 3.48Å; I846-V848 HydrophobicContact CD1-CG2 4.06Å; I846-V848 HydrophobicContact CG1-CG2 4.42Å
849	A	81.4	Confident	62.9	Low	45 Å²	45	90.4 Å²	90.4	37%	0.372	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.3	-177.9	0	0	0	0	0	111.8	I778 F779	I778-A849 CarbonylContact C-O 3.59Å; I778-A849 VanDerWaalsContact CA-O 3.3Å; I778-A849 WeakPolarHBondContact CA-O 3.37Å; F779-A849 PolarHBondContact N-O 3.09Å; F779-A849 PolarHBondContact O-N 3.21Å
850	I	81	Confident	60.4	Low	63 Å²	63	94.6 Å²	94.6	32%	0.323	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.3	169.6	-59.5	-179.8	0	0	0	108.8	V833 N852	V833-I850 HydrophobicContact CG2-CG1 3.86Å; I850-N852 PolarHBondContact O-N 2.73Å
851	S	67.9	Low	58.2	Low	5 Å²	5	99.2 Å²	99.2	4%	0.035	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	90.4	-173.7	-177.8	0	0	0	0	112.5	E774 K777 P853	E774-S851 PolarHBondContact N-O 2.96Å; K777-S851 WeakPolarHBondContact O-CB 3.25Å; K777-S851 PolarHBondContact O-N 2.88Å; S851-P853 WeakPolarHBondContact O-CD 3.4Å
852	N	67.8	Low	56.4	Low	102 Å²	102	103.6 Å²	103.6	55%	0.545	55%	0.547	S	S	.	.			trans	-103.4	86	171.2	-174.7	18.7	0	0	0	109.8	M773 I850 P854	M773-N852 HydrophobicContact CG-CB 4.16Å; M773-N852 HydrophobicContact SD-CB 4.03Å; I850-N852 PolarHBondContact O-N 2.73Å; N852-P854 WeakPolarHBondContact O-CD 3.32Å
853	P	53	Low	54.5	Low	40 Å²	40	101.2 Å²	101.2	26%	0.26	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-64.9	124.7	-176.4	26	-34.1	0	0	0	110.8	S851	S851-P853 WeakPolarHBondContact O-CD 3.4Å
854	P	45.9	Very low	52.6	Low	118 Å²	118	103.6 Å²	103.6	77%	0.766	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.9	141.6	-179.3	-27.2	35.2	0	0	0	112.7	N852 R856	N852-P854 WeakPolarHBondContact O-CD 3.32Å; P854-R856 PolarHBondContact O-N 3.23Å; P854-R856 VanDerWaalsContact O-N 3.15Å
855	R	44.6	Very low	50.3	Low	212 Å²	212	105.4 Å²	105.4	80%	0.8	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-59.6	120.8	168	-72.1	-175.8	177.1	-124.7	-0.1	108.3	T771 N857	T771-R855 HydrophobicContact CG2-CG 4.37Å; R855-N857 VanDerWaalsContact C-N 3.34Å; R855-N857 PolarHBondContact O-N 3.08Å
856	R	32.2	Very low	47.7	Very low	225 Å²	225	110 Å²	110	85%	0.849	60%	0.596	S	S	*	*			trans	-74.7	86.4	-178.3	-175.6	-177.3	168.2	176.1	-3.7	110.7	P854	P854-R856 PolarHBondContact O-N 3.23Å; P854-R856 VanDerWaalsContact O-N 3.15Å
857	N	30.7	Very low	45.1	Very low	140 Å²	140	115.9 Å²	115.9	75%	0.749	64%	0.635	S	S	*	*			trans	-64.3	159	153.2	-69.9	5.6	0	0	0	109.2	R855	R855-N857 VanDerWaalsContact C-N 3.34Å; R855-N857 PolarHBondContact O-N 3.08Å
858	L	30.8	Very low	42.5	Very low	142 Å²	142	118.3 Å²	118.3	74%	0.743	66%	0.657	S	S	*	*	S	Bend	trans	-82.3	119.3	170.5	-79	160	0	0	0	108.3
859	T	29.2	Very low	39.7	Very low	139 Å²	139	121.6 Å²	121.6	85%	0.853	69%	0.692	S	S	*	*			trans	37.9	96.7	158.8	46.2	0	0	0	0	117.4
860	D	27.9	Very low	37	Very low	158 Å²	158	127.9 Å²	127.9	85%	0.845	72%	0.72	S	S	*	*			trans	-144.9	142.2	160.5	-176.5	16.2	0	0	0	110.2
861	K	29.6	Very low	34.4	Very low	189 Å²	189	132.2 Å²	132.2	82%	0.822	74%	0.742	S	S	*	*			trans	171.5	153.1	165.6	-108.7	-160.9	171.9	-158.9	0	110.6
862	P	35.1	Very low	32.4	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	78%	0.782	S	S	*	*			cis	-134.6	133.9	-10.7	35.2	-16.3	0	0	0	115.4
863	G	25.3	Very low	30.6	Very low	81 Å²	81	141 Å²	141	84%	0.835	79%	0.791	S	S	*	*			trans	-108.3	148.3	159	0	0	0	0	0	111.5
864	S	25.5	Very low	29.3	Very low	121 Å²	121	149 Å²	149	85%	0.846	82%	0.816	S	S	*	*			trans	-110.6	127.3	-176.6	169.4	0	0	0	0	112.5
865	S	23.9	Very low	28.3	Very low	117 Å²	117	152.9 Å²	152.9	82%	0.818	82%	0.824	S	S	*	*			trans	-131.5	129.2	166.3	55.6	0	0	0	0	111
866	R	25.4	Very low	27.4	Very low	238 Å²	238	146.7 Å²	146.7	90%	0.898	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-90.8	146.9	169.1	-76.9	-179	170.9	176.8	-2.3	109.5
867	P	28.9	Very low	27.1	Very low	129 Å²	129	147.7 Å²	147.7	84%	0.838	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.5	151.9	177.1	-8.6	25.6	0	0	0	112.4
868	A	23.6	Very low	27	Very low	103 Å²	103	144.4 Å²	144.4	85%	0.851	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.5	157.9	167.6	0	0	0	0	0	111.8
869	G	24.3	Very low	27.3	Very low	73 Å²	73	143.4 Å²	143.4	75%	0.753	83%	0.828	S	S	*	*			trans	-88.7	179.5	-178.6	0	0	0	0	0	115.5
870	D	25.3	Very low	27.6	Very low	176 Å²	176	145.2 Å²	145.2	94%	0.941	82%	0.819	S	S	*	*			trans	-65.8	160.5	-167.3	-79.8	-64.5	0	0	0	117.7
871	I	26.6	Very low	28.2	Very low	155 Å²	155	140.8 Å²	140.8	80%	0.795	81%	0.811	S	S	*	*			trans	-109.7	125.4	175.1	-61.4	169.7	0	0	0	110.4
872	M	25.3	Very low	28.6	Very low	177 Å²	177	140.7 Å²	140.7	87%	0.872	81%	0.805	S	S	*	*			trans	-140.5	162.9	161.2	-94	-65.7	164.3	0	0	109
873	P	30	Very low	28.9	Very low	114 Å²	114	138 Å²	138	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix		-102.5	162.9	-116.9	37.2	-37	0	0	0	116
874	R	25.4	Very low	30	Very low	207 Å²	207	141.7 Å²	141.7	78%	0.781	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.1	176	-72	178.7	167.6	-167.9	-7.4	113.2
875	Q	24.4	Very low	30.8	Very low	200 Å²	200	137.6 Å²	137.6	94%	0.935	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-100.6	144.6	150	-156.4	161.1	6.5	0	0	108.2
876	A	27.1	Very low	31.4	Very low	83 Å²	83	141.3 Å²	141.3	69%	0.686	76%	0.761	S	S	*	*			trans	-122.7	139.3	-160.6	0	0	0	0	0	114.2
877	Y	25	Very low	31.9	Very low	246 Å²	246	133.9 Å²	133.9	97%	0.965	74%	0.739	S	S	*	*			trans	-155	148.1	160.3	-106.6	-79.8	0	0	0	110
878	G	29.3	Very low	32.2	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	73%	0.727	S	S	*	*			trans	89.2	130.2	173.7	0	0	0	0	0	114.9
879	S	35.8	Very low	33.3	Very low	122 Å²	122	128.9 Å²	128.9	85%	0.853	70%	0.697	S	S	*	*	S	Bend	trans	-128	72.3	178.4	-59.2	0	0	0	0	111.1
880	R	36.9	Very low	33.7	Very low	177 Å²	177	130.5 Å²	130.5	67%	0.668	69%	0.688	S	S	*	*	S	Bend	trans	-171.4	131.3	160.8	-101.9	152	-149.7	-136.3	-1.7	108.6	E253	E253-R880 IonicContact OE1-CZ 3.13Å; E253-R880 IonicContact OE1-NH1 2.69Å; E253-R880 PolarHBondContact OE1-NH1 3.21Å; E253-R880 IonicContact OE1-NH2 2.69Å; E253-R880 PolarHBondContact OE1-NH2 3.38Å
881	G	38.8	Very low	34.2	Very low	65 Å²	65	123.9 Å²	123.9	67%	0.67	65%	0.654	S	S	*	*			trans	85.2	117.7	179.3	0	0	0	0	0	114.4
882	R	39.7	Very low	34.7	Very low	186 Å²	186	127.7 Å²	127.7	70%	0.702	66%	0.659	S	S	*	*			trans	-121.5	94.1	159.5	-69.7	-174	-174.8	-146.4	7.6	107.6	R884	R882-R884 PolarHBondContact O-N 2.95Å
883	G	40.5	Very low	35.3	Very low	57 Å²	57	124.6 Å²	124.6	59%	0.588	65%	0.654	S	S	*	*			trans	-56.2	137.1	166.8	0	0	0	0	0	109.7	E194	E194-G883 WeakPolarHBondContact OE1-CA 3.4Å
884	R	47.9	Very low	35.5	Very low	159 Å²	159	125 Å²	125	60%	0.6	65%	0.65	S	S	*	*			trans	-101.2	-22.4	178	-97.7	-175.8	167.8	129.4	-5.6	111.9	E194 R882	E194-R884 PolarHBondContact OE1-N 3.26Å; R882-R884 PolarHBondContact O-N 2.95Å
885	T	42.5	Very low	35.9	Very low	36 Å²	36	120.5 Å²	120.5	22%	0.221	64%	0.638	C	S	.	*	S	Bend	trans	-69.8	151.5	170.9	73.3	0	0	0	0	110	E194 L887	E194-T885 PolarHBondContact OE1-OG1 2.82Å; E194-T885 VanDerWaalsContact OE2-CG2 3.26Å; E194-T885 WeakPolarHBondContact OE2-CG2 3.28Å; E194-T885 PolarHBondContact OE2-OG1 3.17Å; T885-L887 PolarHBondContact O-N 3.31Å
886	Q	36.8	Very low	36.1	Very low	195 Å²	195	122.4 Å²	122.4	91%	0.911	64%	0.636	S	S	*	*	S	Bend	trans	-85.7	24.5	170.3	-71.6	-75	-12	0	0	111.4
887	L	36	Very low	36.1	Very low	82 Å²	82	126.1 Å²	126.1	43%	0.429	64%	0.639	S	S	.	*			trans	-103.8	113	-168.1	-62.9	172.8	0	0	0	110.8	T885 L889	T885-L887 PolarHBondContact O-N 3.31Å; L887-L889 VanDerWaalsContact C-N 3.35Å; L887-L889 PolarHBondContact O-N 3.04Å
888	S	35.2	Very low	36.3	Very low	83 Å²	83	119.8 Å²	119.8	58%	0.58	63%	0.628	S	S	*	*			trans	-72.6	87.2	172	170.1	0	0	0	0	110.5	L890	S888-L890 PolarHBondContact O-N 2.79Å
889	L	46.7	Very low	36.2	Very low	44 Å²	44	120.6 Å²	120.6	23%	0.23	63%	0.628	C	S	.	*			trans	-71	12	174.5	-64.3	170.5	0	0	0	114.2	I155 E194 L887	I155-L889 HydrophobicContact CD1-CD2 4.19Å; E194-L889 HydrophobicContact CB-CD1 3.53Å; L887-L889 VanDerWaalsContact C-N 3.35Å; L887-L889 PolarHBondContact O-N 3.04Å
890	L	32.5	Very low	36	Very low	107 Å²	107	120.4 Å²	120.4	56%	0.56	62%	0.624	S	S	*	*	S	Bend	trans	-88	126.5	170.1	-72.4	174	0	0	0	110.7	S888	S888-L890 PolarHBondContact O-N 2.79Å
891	P	36.1	Very low	35.7	Very low	36 Å²	36	118.1 Å²	118.1	23%	0.234	63%	0.632	C	S	.	*			trans	-51.1	141.1	173.7	-29.2	34.5	0	0	0	113.6	M158 S893 L894	M158-P891 HydrophobicContact CE-CG 3.71Å; P891-S893 WeakPolarHBondContact CB-OG 3.19Å; P891-S893 PolarHBondContact O-N 3.29Å; P891-S893 VanDerWaalsContact O-N 3.15Å; P891-L894 PolarHBondContact O-N 2.83Å
892	R	37.9	Very low	35.2	Very low	236 Å²	236	118.1 Å²	118.1	89%	0.891	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-57.1	-29	175.5	-72.4	-177.9	175.6	172.7	-0.8	112.6	L894 H895	R892-L894 PolarHBondContact O-N 2.89Å; R892-H895 PolarHBondContact O-N 3.29Å
893	S	36.2	Very low	34.6	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-64.1	-14.5	174.6	49.2	0	0	0	0	115.1	P891	P891-S893 WeakPolarHBondContact CB-OG 3.19Å; P891-S893 PolarHBondContact O-N 3.29Å; P891-S893 VanDerWaalsContact O-N 3.15Å
894	L	34.4	Very low	34	Very low	123 Å²	123	122.7 Å²	122.7	64%	0.644	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-101.8	-0.2	176.1	-65.9	175.8	0	0	0	113.6	P891 R892 R896	P891-L894 PolarHBondContact O-N 2.83Å; R892-L894 PolarHBondContact O-N 2.89Å; L894-R896 PolarHBondContact O-N 2.79Å
895	H	34.3	Very low	32.9	Very low	113 Å²	113	124 Å²	124	52%	0.523	66%	0.664	S	S	.	*			trans	-75.9	87.3	177.7	-88.8	68.8	0	0	0	112.1	R892 Q897	R892-H895 PolarHBondContact O-N 3.29Å; H895-Q897 PolarHBondContact O-N 2.98Å
896	R	29.4	Very low	32.3	Very low	240 Å²	240	130 Å²	130	91%	0.906	70%	0.696	S	S	*	*			trans	-72.2	98.2	168.2	-167.1	179.9	-166	-177	5.5	110.1	L894	L894-R896 PolarHBondContact O-N 2.79Å
897	Q	27.2	Very low	31.8	Very low	160 Å²	160	123.8 Å²	123.8	75%	0.748	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-50.4	128.9	175	-74.2	-70.7	-5.9	0	0	111.6	H895 A899	H895-Q897 PolarHBondContact O-N 2.98Å; Q897-A899 PolarHBondContact O-N 2.91Å
898	P	27.8	Very low	31.3	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-72.5	121.5	172.1	29.4	-32	0	0	0	109.5
899	A	28.3	Very low	30.8	Very low	88 Å²	88	127.7 Å²	127.7	73%	0.727	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.7	142.6	173.1	0	0	0	0	0	110.5	Q897	Q897-A899 PolarHBondContact O-N 2.91Å
900	P	31.3	Very low	29.9	Very low	118 Å²	118	130.7 Å²	130.7	77%	0.766	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.1	144.1	-179	25.8	-34.5	0	0	0	111.2	G902	P900-G902 PolarHBondContact O-N 3.17Å
901	P	30.8	Very low	29.7	Very low	128 Å²	128	132.6 Å²	132.6	83%	0.831	76%	0.755	S	S	*	*			trans	-68.7	104.8	-175.5	27.2	-34.2	0	0	0	111.1	K903	P901-K903 PolarHBondContact O-N 2.97Å
902	G	27.1	Very low	29.2	Very low	65 Å²	65	141 Å²	141	67%	0.67	78%	0.782	S	S	*	*			trans	-59.7	132.9	170.8	0	0	0	0	0	111	P900 V904	P900-G902 PolarHBondContact O-N 3.17Å; G902-V904 PolarHBondContact O-N 3.48Å
903	K	27.6	Very low	28.7	Very low	208 Å²	208	134.1 Å²	134.1	90%	0.904	78%	0.776	S	S	*	*			trans	-60.2	130.6	176.8	-68.7	-178.8	178.7	179.3	0	110.1	P901	P901-K903 PolarHBondContact O-N 2.97Å
904	V	27.6	Very low	28.7	Very low	131 Å²	131	134.7 Å²	134.7	79%	0.794	78%	0.777	S	S	*	*			trans	-98.8	106.7	173.4	-167.1	0	0	0	0	108.6	G902	G902-V904 PolarHBondContact O-N 3.48Å
905	E	26.5	Very low	29.4	Very low	186 Å²	186	134.2 Å²	134.2	87%	0.869	78%	0.781	S	S	*	*			trans	-103.3	145.9	163.4	-74.7	-167.8	140.8	0	0	110.1
906	N	28.3	Very low	29.6	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	79%	0.793	S	S	*	*			trans	-91.3	139.5	-175.8	-75	-52.3	0	0	0	111.6
907	G	26.1	Very low	30.2	Very low	63 Å²	63	128.7 Å²	128.7	65%	0.649	79%	0.786	S	S	*	*			trans	140.7	129.3	137.9	0	0	0	0	0	119.7
908	T	26.1	Very low	31.3	Very low	143 Å²	143	126.3 Å²	126.3	88%	0.877	78%	0.784	S	S	*	*			trans	60.3	87.4	136.9	50.7	0	0	0	0	121.2
909	A	25.5	Very low	31.3	Very low	104 Å²	104	127 Å²	127	86%	0.86	79%	0.792	S	S	*	*				30.1	119.4	122.8	0	0	0	0	0	121.8
910	A	27.7	Very low	31.2	Very low	107 Å²	107	126.4 Å²	126.4	88%	0.884	79%	0.794	S	S	*	*			trans	-155.3	138.9	140	0	0	0	0	0	113.9
911	E	27.1	Very low	31.1	Very low	147 Å²	147	126 Å²	126	69%	0.687	80%	0.795	S	S	*	*			trans	-31.3	152.9	168.8	-65.7	-165.7	97.7	0	0	123.8
912	R	26	Very low	30.9	Very low	213 Å²	213	126.8 Å²	126.8	80%	0.804	80%	0.797	S	S	*	*			trans	51.9	124.2	140.2	-64.1	171.4	168.7	142	3.3	119.6
913	A	26.8	Very low	31	Very low	92 Å²	92	128.4 Å²	128.4	76%	0.76	80%	0.804	S	S	*	*				71.5	146.2	50	0	0	0	0	0	114.9
914	P	36.1	Very low	31	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	80%	0.798	S	S	*	*			cis	-132.3	-157.3	2.5	46.8	-27.6	0	0	0	113.2
915	P	49	Very low	31	Very low	114 Å²	114	124.7 Å²	124.7	74%	0.74	80%	0.803	S	S	*	*			trans	-98.8	-166.8	-177.3	42	-34.9	0	0	0	113.5
916	P	38.8	Very low	31.1	Very low	120 Å²	120	120.8 Å²	120.8	78%	0.779	80%	0.802	S	S	*	*				-153.2	-143.3	91	51.1	-30.2	0	0	0	114
917	P	42.8	Very low	31.1	Very low	116 Å²	116	118.3 Å²	118.3	75%	0.753	81%	0.805	S	S	*	*			trans	-138.3	-132.5	-139.8	33.9	-2.6	0	0	0	115.6
918	P	50.6	Low	31.3	Very low	110 Å²	110	118.9 Å²	118.9	71%	0.714	81%	0.81	S	S	*	*				-126.7	169.9	-83.6	36.5	-19.4	0	0	0	116.6
919	S	27.4	Very low	31.7	Very low	128 Å²	128	120.8 Å²	120.8	90%	0.895	81%	0.809	S	S	*	*			trans	168.9	153.7	133.1	43.8	0	0	0	0	111
920	G	27.1	Very low	32.2	Very low	75 Å²	75	122 Å²	122	77%	0.773	81%	0.808	S	S	*	*			cis	-153.7	-161.2	3.4	0	0	0	0	0	114.1
921	S	27.7	Very low	32.8	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	81%	0.808	S	S	*	*			trans	-71	167.9	-175.4	57.5	0	0	0	0	113.8
922	T	28.3	Very low	33.3	Very low	143 Å²	143	126.9 Å²	126.9	88%	0.877	82%	0.816	S	S	*	*			cis	-154.3	172.5	36.3	-10.2	0	0	0	0	111.6
923	A	27.6	Very low	34.6	Very low	99 Å²	99	122.1 Å²	122.1	82%	0.818	81%	0.806	S	S	*	*			trans	-108.7	149.6	-170.4	0	0	0	0	0	115.2
924	A	28	Very low	36.2	Very low	93 Å²	93	120 Å²	120	77%	0.769	79%	0.786	S	S	*	*			trans	-171.5	127.8	135.2	0	0	0	0	0	113.4
925	N	27.4	Very low	36.5	Very low	169 Å²	169	121.5 Å²	121.5	90%	0.904	79%	0.787	S	S	*	*			trans	33.9	111.8	151.4	-59.1	-3.4	0	0	0	122.3
926	A	28	Very low	36.5	Very low	104 Å²	104	119.7 Å²	119.7	86%	0.86	78%	0.777	S	S	*	*			trans	-140.8	161.2	139.8	0	0	0	0	0	109
927	A	30.2	Very low	37.2	Very low	112 Å²	112	117.1 Å²	117.1	93%	0.926	76%	0.757	S	S	*	*			trans	-71.1	145.8	-174.5	0	0	0	0	0	112.8
928	G	30.3	Very low	37.3	Very low	74 Å²	74	117.5 Å²	117.5	76%	0.763	75%	0.747	S	S	*	*			trans	-113	148.6	-174.4	0	0	0	0	0	114.3
929	E	33.4	Very low	37.3	Very low	183 Å²	183	114.8 Å²	114.8	86%	0.855	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-67.4	148.3	178.6	-56.5	164	130.1	0	0	112.5	R931	E929-R931 PolarHBondContact O-N 2.79Å
930	P	36.2	Very low	38.6	Very low	130 Å²	130	115.8 Å²	115.8	84%	0.844	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-72.8	119	174.4	29.7	-33.2	0	0	0	111.1
931	R	39.6	Very low	39.8	Very low	235 Å²	235	118.8 Å²	118.8	89%	0.887	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.3	143.1	173	-67.9	178.5	176.6	163.4	-0.5	111.1	E929 L933	E929-R931 PolarHBondContact O-N 2.79Å; R931-L933 PolarHBondContact O-N 2.83Å
932	S	38.8	Very low	40.7	Very low	122 Å²	122	120 Å²	120	85%	0.853	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-58.6	117	174	57.4	0	0	0	0	111.8
933	L	52.7	Low	42	Very low	113 Å²	113	120 Å²	120	59%	0.592	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-70.5	153.1	173.6	-71.9	165.3	0	0	0	111.3	R931 D937	R931-L933 PolarHBondContact O-N 2.83Å; L933-D937 HydrophobicContact CB-CB 4.43Å; L933-D937 HydrophobicContact CD2-CB 4.21Å
934	S	60.3	Low	42.6	Very low	48 Å²	48	122 Å²	122	34%	0.336	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-83.6	157.9	176.1	79.4	0	0	0	0	111.7	S936 D937 F938	S934-S936 PolarHBondContact O-N 3.04Å; S934-S936 VanDerWaalsContact O-N 3.12Å; S934-S936 PolarHBondContact OG-N 3.16Å; S934-S936 PolarHBondContact OG-OG 3.06Å; S934-D937 VanDerWaalsContact CB-OD2 3.32Å; S934-D937 WeakPolarHBondContact CB-OD2 3.17Å; S934-D937 PolarHBondContact N-OD2 3.18Å; S934-D937 VanDerWaalsContact N-OD2 3.1Å; S934-D937 WeakPolarHBondContact O-CB 3.33Å; S934-D937 PolarHBondContact O-N 3.01Å; S934-D937 VanDerWaalsContact OG-CG 3.24Å; S934-D937 PolarHBondContact OG-N 2.93Å; S934-D937 PolarHBondContact OG-OD2 2.93Å; S934-F938 PolarHBondContact O-N 3.34Å; S934-F938 VanDerWaalsContact O-N 3.16Å
935	N	43.5	Very low	43.1	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	73%	0.728	S	S	*	*	H	α-helix	trans	-57.9	-27.8	175.6	-66.2	3.8	0	0	0	112.6	D937 A939	N935-D937 VanDerWaalsContact C-N 3.32Å; N935-A939 WeakPolarHBondContact O-CB 3.47Å; N935-A939 PolarHBondContact O-N 3.25Å; N935-A939 VanDerWaalsContact O-N 3.17Å
936	S	47.7	Very low	43.8	Very low	76 Å²	76	129.4 Å²	129.4	53%	0.531	72%	0.72	S	S	.	*	H	α-helix	trans	-73.2	-18.1	174.1	32.1	0	0	0	0	114.8	S934	S934-S936 PolarHBondContact O-N 3.04Å; S934-S936 VanDerWaalsContact O-N 3.12Å; S934-S936 PolarHBondContact OG-N 3.16Å; S934-S936 PolarHBondContact OG-OG 3.06Å
937	D	52.9	Low	44.7	Very low	66 Å²	66	130.7 Å²	130.7	35%	0.353	71%	0.712	S	S	.	*	H	α-helix	trans	-88.5	-41.4	174.6	-53.7	-51.7	0	0	0	110.3	L933 S934 N935 A939 K940 M941	L933-D937 HydrophobicContact CB-CB 4.43Å; L933-D937 HydrophobicContact CD2-CB 4.21Å; S934-D937 VanDerWaalsContact CB-OD2 3.32Å; S934-D937 WeakPolarHBondContact CB-OD2 3.17Å; S934-D937 PolarHBondContact N-OD2 3.18Å; S934-D937 VanDerWaalsContact N-OD2 3.1Å; S934-D937 WeakPolarHBondContact O-CB 3.33Å; S934-D937 PolarHBondContact O-N 3.01Å; S934-D937 VanDerWaalsContact OG-CG 3.24Å; S934-D937 PolarHBondContact OG-N 2.93Å; S934-D937 PolarHBondContact OG-OD2 2.93Å; N935-D937 VanDerWaalsContact C-N 3.32Å; D937-A939 VanDerWaalsContact C-N 3.29Å; D937-A939 PolarHBondContact O-N 2.74Å; D937-K940 WeakPolarHBondContact O-CB 3.42Å; D937-K940 PolarHBondContact O-N 2.69Å; D937-M941 PolarHBondContact O-N 2.99Å
938	F	45.3	Very low	45.5	Very low	124 Å²	124	131.7 Å²	131.7	54%	0.544	70%	0.7	S	S	.	*	H	α-helix	trans	-58.8	-40.8	174.5	-136.7	-85.3	0	0	0	111.9	S934 K940 M941 L942	S934-F938 PolarHBondContact O-N 3.34Å; S934-F938 VanDerWaalsContact O-N 3.16Å; F938-K940 PolarHBondContact O-N 3.22Å; F938-M941 PolarHBondContact O-N 2.69Å; F938-M941 VanDerWaalsContact O-N 3.17Å; F938-L942 HydrophobicContact CD1-CD1 4.16Å; F938-L942 HydrophobicContact CE1-CD1 4.48Å; F938-L942 PolarHBondContact O-N 3.11Å
939	A	52	Low	46.4	Very low	54 Å²	54	135.1 Å²	135.1	45%	0.446	70%	0.697	S	S	.	*	H	α-helix	trans	-62.9	-18	174.7	0	0	0	0	0	114.5	N935 D937	N935-A939 WeakPolarHBondContact O-CB 3.47Å; N935-A939 PolarHBondContact O-N 3.25Å; N935-A939 VanDerWaalsContact O-N 3.17Å; D937-A939 VanDerWaalsContact C-N 3.29Å; D937-A939 PolarHBondContact O-N 2.74Å
940	K	54.6	Low	47.2	Very low	148 Å²	148	132.1 Å²	132.1	64%	0.643	69%	0.687	S	S	*	*	H	α-helix	trans	-91.5	-22.1	175.4	-71.4	174.1	-178.2	167.1	0	113.5	D937 F938	D937-K940 WeakPolarHBondContact O-CB 3.42Å; D937-K940 PolarHBondContact O-N 2.69Å; F938-K940 PolarHBondContact O-N 3.22Å
941	M	51	Low	47.9	Very low	138 Å²	138	132.3 Å²	132.3	68%	0.68	68%	0.676	S	S	*	*	H	α-helix	trans	-72.5	-42.8	171.8	-79.6	-178.1	61	0	0	111.5	D937 F938 L943 N944	D937-M941 PolarHBondContact O-N 2.99Å; F938-M941 PolarHBondContact O-N 2.69Å; F938-M941 VanDerWaalsContact O-N 3.17Å; M941-L943 PolarHBondContact O-N 2.98Å; M941-N944 PolarHBondContact O-N 2.58Å
942	L	47.9	Very low	48.5	Very low	137 Å²	137	124.9 Å²	124.9	72%	0.717	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	5.9	-178.2	-82.1	163.2	0	0	0	115.8	F938	F938-L942 HydrophobicContact CD1-CD1 4.16Å; F938-L942 HydrophobicContact CE1-CD1 4.48Å; F938-L942 PolarHBondContact O-N 3.11Å
943	L	54.1	Low	49.3	Very low	143 Å²	143	125.2 Å²	125.2	75%	0.749	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	14.2	-179	-73.8	173.4	0	0	0	113.9	M941	M941-L943 PolarHBondContact O-N 2.98Å
944	N	40.7	Very low	49	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	65%	0.651	S	S	*	*			trans	-127.6	76.1	176.2	-88.5	-51.8	0	0	0	112.8	M941	M941-N944 PolarHBondContact O-N 2.58Å
945	K	37.7	Very low	47.9	Very low	286 Å²	286	133.3 Å²	133.3	100%	1.243	68%	0.68	S	S	*	*			trans	70.2	0	172.5	-64.4	-172.8	174.1	-174.7	0	116.5

Retrieved 945 of 945 residues in 422.6 ms (Link to these results)

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